| 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 | 40.5 | Very low | 66.2 | Low | 175 Ų | 175 | 100.3 Ų | 100.3 | 86% | 0.862 | 50% | 0.501 | S | S | * | . | 0 | -26.5 | 0 | -150.8 | 171.6 | 74.1 | 0 | 0 | 111.3 | H3 L4 V5 | M1-H3 VanDerWaalsContact C-N 3.25Å; M1-H3 PolarHBondContact O-N 3.03Å; M1-L4 PolarHBondContact O-N 3.21Å; M1-V5 WeakPolarHBondContact O-CG2 3.39Å | |||
| 2 | E | 40 | Very low | 68.6 | Low | 172 Ų | 172 | 102.3 Ų | 102.3 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -55.3 | -32.2 | 177.3 | -70.1 | 176.3 | 164.8 | 0 | 0 | 114.3 | L4 | E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.41Å |
| 3 | H | 46.9 | Very low | 70.6 | Confident | 151 Ų | 151 | 94.5 Ų | 94.5 | 70% | 0.699 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -79.2 | -7.2 | 177.3 | -50.2 | -63.3 | 0 | 0 | 0 | 115.4 | M1 | M1-H3 VanDerWaalsContact C-N 3.25Å; M1-H3 PolarHBondContact O-N 3.03Å |
| 4 | L | 49.2 | Very low | 72.2 | Confident | 55 Ų | 55 | 90.1 Ų | 90.1 | 29% | 0.288 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -101.6 | -6.6 | -176.6 | -71.1 | 175 | 0 | 0 | 0 | 113.1 | M1 E2 D6 F8 M141 | M1-L4 PolarHBondContact O-N 3.21Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.41Å; L4-D6 VanDerWaalsContact C-N 3.26Å; L4-D6 PolarHBondContact O-N 3.17Å; L4-F8 WeakPolarHBondContact O-CD1 3.46Å; L4-M141 HydrophobicContact CD2-CE 4.07Å; L4-M141 HydrophobicContact CD2-SD 3.38Å; L4-M141 WeakPolarHBondContact CD2-SD 3.35Å |
| 5 | V | 48.3 | Very low | 73.6 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.3 | -161.5 | -179.2 | 0 | 0 | 0 | 0 | 113 | M1 | M1-V5 WeakPolarHBondContact O-CG2 3.39Š|
| 6 | D | 55 | Low | 74.6 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 75% | 0.754 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -7.7 | -164 | -68.2 | -27.4 | 0 | 0 | 0 | 117.8 | L4 | L4-D6 VanDerWaalsContact C-N 3.26Å; L4-D6 PolarHBondContact O-N 3.17Å |
| 7 | D | 77.5 | Confident | 75.1 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -148.8 | 65.9 | -179.8 | -75.3 | -65.3 | 0 | 0 | 0 | 114.6 | K144 | D7-K144 WeakPolarHBondContact OD2-CE 3.3Å; D7-K144 IonicContact OD2-NZ 2.5Å; D7-K144 PolarHBondContact OD2-NZ 3.12Å |
| 8 | F | 88.9 | Confident | 75.1 | Confident | 98 Ų | 98 | 85.5 Ų | 85.5 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.5 | 164 | 69.7 | -91.6 | 0 | 0 | 0 | 111 | L4 I10 L139 F140 M141 | L4-F8 WeakPolarHBondContact O-CD1 3.46Å; F8-I10 HydrophobicContact CE2-CG1 4.49Å; F8-L139 HydrophobicContact CD2-CD2 3.64Å; F8-L139 HydrophobicContact CE2-CD2 3.79Å; F8-F140 WeakPolarHBondContact CA-O 3.39Å; F8-M141 HydrophobicContact CB-CB 3.99Å; F8-M141 HydrophobicContact CB-CE 3.88Å |
| 9 | E | 93.6 | Very high | 74.9 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 22% | 0.224 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 153.6 | 168.9 | 65.7 | -177.2 | 142.6 | 0 | 0 | 110.6 | I11 T47 S48 F140 | E9-I11 HydrophobicContact CG-CG2 3.9Å; E9-T47 WeakPolarHBondContact OE1-CA 3.39Å; E9-T47 WeakPolarHBondContact OE1-CB 3.35Å; E9-S48 VanDerWaalsContact CD-N 3.3Å; E9-S48 PolarHBondContact OE1-N 2.82Å; E9-S48 PolarHBondContact OE1-OG 3.03Å; E9-S48 PolarHBondContact OE2-N 2.9Å; E9-S48 PolarHBondContact OE2-OG 3.1Å; E9-F140 HydrophobicContact CG-CB 3.98Å; E9-F140 HydrophobicContact CG-CD1 4.22Å; E9-F140 PolarHBondContact N-O 2.89Å; E9-F140 PolarHBondContact O-N 2.82Å |
| 10 | I | 93.8 | Very high | 75.2 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.8 | 175 | -61.2 | 173 | 0 | 0 | 0 | 108.3 | F8 Y12 P137 H138 L139 | F8-I10 HydrophobicContact CE2-CG1 4.49Å; I10-Y12 HydrophobicContact CG2-CE2 4.27Å; I10-P137 HydrophobicContact CG2-CB 3.74Å; I10-H138 CarbonylContact C-O 3.57Å; I10-H138 WeakPolarHBondContact CA-O 3.36Å; I10-L139 HydrophobicContact CG1-CD2 4.09Å |
| 11 | I | 94.9 | Very high | 75.4 | Confident | 3 Ų | 3 | 94 Ų | 94 | 2% | 0.015 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 163.2 | 178.6 | 68 | 166.2 | 0 | 0 | 0 | 111.3 | E9 P13 L45 K46 T47 H138 F140 | E9-I11 HydrophobicContact CG-CG2 3.9Å; I11-P13 HydrophobicContact CD1-CG 4.09Å; I11-P13 HydrophobicContact CG1-CG 4.24Å; I11-L45 HydrophobicContact CD1-CB 4.11Å; I11-L45 HydrophobicContact CD1-CD1 4.19Å; I11-L45 HydrophobicContact CD1-CD2 4.12Å; I11-L45 HydrophobicContact CD1-CG 4.38Å; I11-K46 WeakPolarHBondContact CG2-O 3.48Å; I11-T47 HydrophobicContact CG2-CG2 4.29Å; I11-H138 HydrophobicContact CG1-CB 3.96Å; I11-H138 PolarHBondContact N-O 2.49Å; I11-H138 PolarHBondContact O-N 3.1Å; I11-F140 HydrophobicContact CD1-CB 3.79Å; I11-F140 HydrophobicContact CD1-CD2 3.87Å; I11-F140 HydrophobicContact CD1-CG 4.13Å; I11-F140 HydrophobicContact CG1-CB 3.96Å; I11-F140 HydrophobicContact CG2-CB 3.78Å; I11-F140 HydrophobicContact CG2-CG 4.47Å |
| 12 | Y | 94.3 | Very high | 77.5 | Confident | 125 Ų | 125 | 87.4 Ų | 87.4 | 49% | 0.49 | 41% | 0.414 | S | S | . | . | trans | -125.7 | 87.3 | 176.6 | -61.3 | -87.1 | 0 | 0 | 0 | 108.8 | I10 R135 P137 | I10-Y12 HydrophobicContact CG2-CE2 4.27Å; Y12-R135 WeakPolarHBondContact CE1-O 3.38Å; Y12-P137 HydrophobicContact CD1-CB 4.48Å; Y12-P137 HydrophobicContact CE1-CB 3.82Å | ||
| 13 | P | 95 | Very high | 79.7 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | trans | -60.2 | 144.2 | 178 | -20.5 | 33.2 | 0 | 0 | 0 | 111.2 | I11 I24 L45 L111 H138 | I11-P13 HydrophobicContact CD1-CG 4.09Å; I11-P13 HydrophobicContact CG1-CG 4.24Å; P13-I24 HydrophobicContact CB-CG2 3.83Å; P13-I24 WeakPolarHBondContact O-CG2 3.24Å; P13-L45 HydrophobicContact CB-CD2 3.47Å; P13-L45 VanDerWaalsContact CB-CD2 3.47Å; P13-L45 HydrophobicContact CG-CD2 3.79Å; P13-L111 HydrophobicContact CB-CD2 3.61Å; P13-L111 HydrophobicContact CG-CB 4.42Å; P13-L111 HydrophobicContact CG-CD2 3.91Å; P13-H138 WeakPolarHBondContact CD-ND1 3Å; P13-H138 HydrophobicContact CG-CB 4.15Å | ||
| 14 | I | 93.1 | Very high | 81.6 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.5 | 179.6 | -67.1 | 165.9 | 0 | 0 | 0 | 108.3 | R21 F43 V44 | I14-R21 HydrophobicContact CG2-CB 3.64Å; I14-R21 HydrophobicContact CG2-CG 3.91Å; I14-F43 CarbonylContact O-C 3.59Å; I14-F43 WeakPolarHBondContact O-CA 3.49Å; I14-V44 PolarHBondContact N-O 2.93Å; I14-V44 VanDerWaalsContact N-O 3.15Å; I14-V44 PolarHBondContact O-N 3.04Å |
| 15 | Q | 93.1 | Very high | 83.5 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.1 | 168.1 | -168.4 | -167.7 | 17.7 | 0 | 0 | 110.1 | V22 G23 D25 C41 S42 F43 | Q15-V22 HydrophobicContact CB-CG2 3.77Å; Q15-V22 HydrophobicContact CG-CG2 4.22Å; Q15-V22 PolarHBondContact O-N 3.43Å; Q15-V22 VanDerWaalsContact OE1-CG2 3.27Å; Q15-G23 WeakPolarHBondContact CB-O 3.5Å; Q15-G23 PolarHBondContact N-O 2.89Å; Q15-D25 PolarHBondContact OE1-O 3.49Å; Q15-C41 PolarHBondContact NE2-SG 3.07Å; Q15-S42 CarbonylContact C-O 3.46Å; Q15-S42 VanDerWaalsContact CA-O 3.29Å; Q15-S42 WeakPolarHBondContact CA-O 3.24Å; Q15-S42 WeakPolarHBondContact CG-O 3.38Å; Q15-F43 HydrophobicContact CB-CD1 3.87Å; Q15-F43 HydrophobicContact CB-CE1 3.74Å; Q15-F43 HydrophobicContact CG-CD1 4.24Å; Q15-F43 HydrophobicContact CG-CE1 3.94Å; Q15-F43 HydrophobicContact CG-CZ 4.37Å |
| 16 | M | 89.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.8 | 172.8 | -59.1 | -67 | -59.2 | 0 | 0 | 108.6 | R21 S42 V44 | M16-R21 HydrophobicContact CE-CG 4.38Å; M16-R21 HydrophobicContact SD-CG 3.82Å; M16-S42 PolarHBondContact N-O 3.3Å; M16-V44 HydrophobicContact CG-CG2 3.69Å; M16-V44 HydrophobicContact SD-CG2 4.08Å |
| 17 | R | 82.8 | Confident | 86.9 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 24% | 0.242 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 120.6 | -179.7 | -168.5 | -176.9 | -55.6 | 178.6 | 2.7 | 109.9 | R19 S20 V22 D25 | R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 2.94Å; R17-R19 VanDerWaalsContact O-N 3.16Å; R17-S20 PolarHBondContact N-O 3.3Å; R17-S20 CarbonylContact O-C 3.46Å; R17-S20 WeakPolarHBondContact O-CA 3.47Å; R17-S20 WeakPolarHBondContact O-CB 3.49Å; R17-S20 PolarHBondContact O-N 2.9Å; R17-S20 VanDerWaalsContact O-O 3.1Å; R17-S20 PolarHBondContact O-OG 2.5Å; R17-V22 HydrophobicContact CB-CG2 4.21Å; R17-D25 PolarHBondContact NH2-O 3.04Å |
| 18 | D | 76.5 | Confident | 86.9 | Confident | 154 Ų | 154 | 62.5 Ų | 62.5 | 82% | 0.824 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 51.6 | 176.2 | -56.4 | -33.7 | 0 | 0 | 0 | 114.6 | S20 | D18-S20 PolarHBondContact O-N 2.6Š|
| 19 | R | 71.2 | Confident | 86.4 | Confident | 257 Ų | 257 | 64.3 Ų | 64.3 | 97% | 0.97 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -5.9 | -175.5 | -52.3 | 178.1 | 175.7 | -177 | -1.4 | 115.8 | R17 | R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 2.94Å; R17-R19 VanDerWaalsContact O-N 3.16Å |
| 20 | S | 80.2 | Confident | 85.2 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 151.8 | 169.1 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | R17 D18 | R17-S20 PolarHBondContact N-O 3.3Å; R17-S20 CarbonylContact O-C 3.46Å; R17-S20 WeakPolarHBondContact O-CA 3.47Å; R17-S20 WeakPolarHBondContact O-CB 3.49Å; R17-S20 PolarHBondContact O-N 2.9Å; R17-S20 VanDerWaalsContact O-O 3.1Å; R17-S20 PolarHBondContact O-OG 2.5Å; D18-S20 PolarHBondContact O-N 2.6Å |
| 21 | R | 80 | Confident | 83.1 | Confident | 124 Ų | 124 | 71 Ų | 71 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134.2 | 163 | -68.8 | 179.1 | -172.8 | 169.4 | 7 | 105.8 | I14 M16 R134 | I14-R21 HydrophobicContact CG2-CB 3.64Å; I14-R21 HydrophobicContact CG2-CG 3.91Å; M16-R21 HydrophobicContact CE-CG 4.38Å; M16-R21 HydrophobicContact SD-CG 3.82Å; R21-R134 PolarHBondContact O-NE 3.42Å; R21-R134 VanDerWaalsContact O-NE 3.16Å; R21-R134 PolarHBondContact O-NH2 3.15Å |
| 22 | V | 84.4 | Confident | 81.5 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -176.2 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 108.7 | Q15 R17 R134 | Q15-V22 HydrophobicContact CB-CG2 3.77Å; Q15-V22 HydrophobicContact CG-CG2 4.22Å; Q15-V22 PolarHBondContact O-N 3.43Å; Q15-V22 VanDerWaalsContact OE1-CG2 3.27Å; R17-V22 HydrophobicContact CB-CG2 4.21Å; V22-R134 VanDerWaalsContact O-CG 3.23Å; V22-R134 WeakPolarHBondContact O-CG 3.28Å |
| 23 | G | 85.2 | Confident | 80 | Confident | 14 Ų | 14 | 80 Ų | 80 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | trans | -65.1 | -143.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q15 L132 | Q15-G23 WeakPolarHBondContact CB-O 3.5Å; Q15-G23 PolarHBondContact N-O 2.89Å; G23-L132 WeakPolarHBondContact CA-O 2.99Å | ||
| 24 | I | 87.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -111.3 | 5.4 | 175.7 | 55.6 | -175.8 | 0 | 0 | 0 | 112.5 | P13 T26 F43 G110 L111 L132 H136 H138 | P13-I24 HydrophobicContact CB-CG2 3.83Å; P13-I24 WeakPolarHBondContact O-CG2 3.24Å; I24-T26 PolarHBondContact O-N 3.37Å; I24-F43 HydrophobicContact CB-CE1 4.38Å; I24-F43 HydrophobicContact CG2-CE1 4.38Å; I24-G110 VanDerWaalsContact CD1-CA 3.47Å; I24-L111 HydrophobicContact CD1-CB 4.47Å; I24-L132 HydrophobicContact CD1-CD2 4.38Å; I24-L132 HydrophobicContact CG1-CB 4.22Å; I24-L132 HydrophobicContact CG1-CD2 4.2Å; I24-L132 WeakPolarHBondContact CG1-O 3.47Å; I24-L132 PolarHBondContact N-O 3.38Å; I24-H136 HydrophobicContact CD1-CB 4.09Å; I24-H138 WeakPolarHBondContact CD1-CE1 3.31Å |
| 25 | D | 88.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | trans | -69 | 114.6 | 176.6 | -172.9 | 7 | 0 | 0 | 0 | 110.9 | Q15 R17 R27 Y29 L132 | Q15-D25 PolarHBondContact OE1-O 3.49Å; R17-D25 PolarHBondContact NH2-O 3.04Å; D25-R27 VanDerWaalsContact OD1-CB 3.25Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.23Å; D25-R27 PolarHBondContact OD1-N 2.77Å; D25-Y29 VanDerWaalsContact OD2-CE2 3.3Å; D25-Y29 WeakPolarHBondContact OD2-CE2 3.4Å; D25-Y29 PolarHBondContact OD2-OH 2.92Å; D25-L132 HydrophobicContact CB-CB 4.11Å; D25-L132 HydrophobicContact CB-CD1 4.35Å | ||
| 26 | T | 88.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | trans | -94.9 | 8.2 | 175.9 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | I24 H37 F38 C41 F43 Y91 T107 | I24-T26 PolarHBondContact O-N 3.37Å; T26-H37 CarbonylContact O-C 3.22Å; T26-H37 WeakPolarHBondContact O-CA 3.39Å; T26-H37 PolarHBondContact OG1-ND1 3.14Å; T26-F38 WeakPolarHBondContact O-CD2 3.2Å; T26-F38 PolarHBondContact O-N 3.47Å; T26-C41 HydrophobicContact CG2-CB 4.41Å; T26-C41 WeakPolarHBondContact CG2-SG 3.38Å; T26-F43 HydrophobicContact CG2-CE1 4.37Å; T26-F43 HydrophobicContact CG2-CE2 4.45Å; T26-F43 HydrophobicContact CG2-CZ 3.57Å; T26-Y91 VanDerWaalsContact CB-OH 3.28Å; T26-Y91 WeakPolarHBondContact CB-OH 3.44Å; T26-Y91 HydrophobicContact CG2-CE2 4.29Å; T26-Y91 PolarHBondContact OG1-OH 2.88Å; T26-T107 HydrophobicContact CG2-CG2 3.77Å; T26-T107 PolarHBondContact OG1-OG1 3.28Å | ||
| 27 | R | 86.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 25% | 0.249 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.3 | 174.6 | -63 | 173.5 | -170.7 | 153.9 | 6.6 | 110.8 | D25 Y29 V36 H37 F38 | D25-R27 VanDerWaalsContact OD1-CB 3.25Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.23Å; D25-R27 PolarHBondContact OD1-N 2.77Å; R27-Y29 HydrophobicContact CB-CD2 4.49Å; R27-Y29 HydrophobicContact CB-CE1 4.41Å; R27-Y29 HydrophobicContact CB-CE2 3.91Å; R27-V36 CarbonylContact C-O 3.52Å; R27-V36 WeakPolarHBondContact CA-O 3.49Å; R27-H37 VanDerWaalsContact CG-CE1 3.42Å; R27-H37 WeakPolarHBondContact CG-CE1 3.4Å; R27-F38 WeakPolarHBondContact O-CE2 3.49Å |
| 28 | N | 77.2 | Confident | 76.5 | Confident | 57 Ų | 57 | 86.2 Ų | 86.2 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.3 | 161.3 | -169.3 | 12.5 | 0 | 0 | 0 | 107.5 | L30 V36 F38 | N28-L30 PolarHBondContact O-N 3.21Å; N28-V36 HydrophobicContact CB-CG2 3.96Å; N28-V36 PolarHBondContact N-O 3.16Å; N28-V36 PolarHBondContact O-N 2.72Å; N28-V36 VanDerWaalsContact O-N 3.12Å; N28-F38 HydrophobicContact CB-CD2 4.4Å; N28-F38 HydrophobicContact CB-CE1 4.01Å; N28-F38 HydrophobicContact CB-CE2 3.8Å; N28-F38 HydrophobicContact CB-CZ 3.6Å |
| 29 | Y | 79.4 | Confident | 76.8 | Confident | 135 Ų | 135 | 84.1 Ų | 84.1 | 53% | 0.529 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 100.5 | 179 | -59.8 | -89.8 | 0 | 0 | 0 | 107.4 | D25 R27 T35 | D25-Y29 VanDerWaalsContact OD2-CE2 3.3Å; D25-Y29 WeakPolarHBondContact OD2-CE2 3.4Å; D25-Y29 PolarHBondContact OD2-OH 2.92Å; R27-Y29 HydrophobicContact CB-CD2 4.49Å; R27-Y29 HydrophobicContact CB-CE1 4.41Å; R27-Y29 HydrophobicContact CB-CE2 3.91Å; Y29-T35 HydrophobicContact CD1-CG2 3.55Å; Y29-T35 HydrophobicContact CE1-CG2 3.82Å; Y29-T35 HydrophobicContact CG-CG2 4.47Å |
| 30 | L | 67.8 | Low | 77.6 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | trans | -81.9 | 173.8 | 176.1 | -61.1 | 174.1 | 0 | 0 | 0 | 110 | N28 V34 V36 | N28-L30 PolarHBondContact O-N 3.21Å; L30-V34 WeakPolarHBondContact CB-O 3.48Å; L30-V34 PolarHBondContact N-O 2.9Å; L30-V36 HydrophobicContact CD1-CG1 4.08Å; L30-V36 HydrophobicContact CD1-CG2 3.73Å; L30-V36 HydrophobicContact CG-CG2 4.16Å | ||
| 31 | F | 50.5 | Low | 78.1 | Confident | 194 Ų | 194 | 75 Ų | 75 | 85% | 0.851 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -61.9 | 154.6 | 170.4 | -60.9 | -79.1 | 0 | 0 | 0 | 110.6 | ||
| 32 | D | 60.9 | Low | 78.8 | Confident | 151 Ų | 151 | 70.3 Ų | 70.3 | 81% | 0.807 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | 67.4 | 33.9 | 179.8 | -55.4 | -30.3 | 0 | 0 | 0 | 117.5 | V34 | D32-V34 PolarHBondContact O-N 3.39Å; D32-V34 VanDerWaalsContact O-N 3.08Å |
| 33 | N | 63.2 | Low | 79.4 | Confident | 165 Ų | 165 | 68.6 Ų | 68.6 | 88% | 0.882 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 60.2 | 14.8 | 178.8 | -66.6 | -27.8 | 0 | 0 | 0 | 114.7 | ||
| 34 | V | 65 | Low | 79.9 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | trans | -82.5 | 121 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | L30 D32 V36 | L30-V34 WeakPolarHBondContact CB-O 3.48Å; L30-V34 PolarHBondContact N-O 2.9Å; D32-V34 PolarHBondContact O-N 3.39Å; D32-V34 VanDerWaalsContact O-N 3.08Å; V34-V36 HydrophobicContact CG1-CG1 4.29Å | ||
| 35 | T | 71.1 | Confident | 80.3 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.6 | 174.5 | 59.7 | 0 | 0 | 0 | 0 | 110 | Y29 | Y29-T35 HydrophobicContact CD1-CG2 3.55Å; Y29-T35 HydrophobicContact CE1-CG2 3.82Å; Y29-T35 HydrophobicContact CG-CG2 4.47Å |
| 36 | V | 76.7 | Confident | 80.6 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.5 | 172.1 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | R27 N28 L30 V34 | R27-V36 CarbonylContact C-O 3.52Å; R27-V36 WeakPolarHBondContact CA-O 3.49Å; N28-V36 HydrophobicContact CB-CG2 3.96Å; N28-V36 PolarHBondContact N-O 3.16Å; N28-V36 PolarHBondContact O-N 2.72Å; N28-V36 VanDerWaalsContact O-N 3.12Å; L30-V36 HydrophobicContact CD1-CG1 4.08Å; L30-V36 HydrophobicContact CD1-CG2 3.73Å; L30-V36 HydrophobicContact CG-CG2 4.16Å; V34-V36 HydrophobicContact CG1-CG1 4.29Å |
| 37 | H | 82.2 | Confident | 80.9 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 12% | 0.116 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 142.2 | 175.2 | -78.2 | -88.9 | 0 | 0 | 0 | 110.4 | T26 R27 E39 L58 N88 | T26-H37 CarbonylContact O-C 3.22Å; T26-H37 WeakPolarHBondContact O-CA 3.39Å; T26-H37 PolarHBondContact OG1-ND1 3.14Å; R27-H37 VanDerWaalsContact CG-CE1 3.42Å; R27-H37 WeakPolarHBondContact CG-CE1 3.4Å; H37-E39 PolarHBondContact O-N 3.16Å; H37-L58 HydrophobicContact CB-CD1 4.25Å; H37-N88 WeakPolarHBondContact CB-O 3.34Å; H37-N88 PolarHBondContact CD2-O 3.24Å; H37-N88 VanDerWaalsContact CG-O 3.24Å |
| 38 | F | 83.4 | Confident | 81.1 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | trans | -61.2 | 132.7 | 173 | -72.2 | -77 | 0 | 0 | 0 | 109.7 | T26 R27 N28 H40 Y91 | T26-F38 WeakPolarHBondContact O-CD2 3.2Å; T26-F38 PolarHBondContact O-N 3.47Å; R27-F38 WeakPolarHBondContact O-CE2 3.49Å; N28-F38 HydrophobicContact CB-CD2 4.4Å; N28-F38 HydrophobicContact CB-CE1 4.01Å; N28-F38 HydrophobicContact CB-CE2 3.8Å; N28-F38 HydrophobicContact CB-CZ 3.6Å; F38-H40 PolarHBondContact O-N 2.82Å; F38-Y91 VanDerWaalsContact O-CE1 3.22Å; F38-Y91 WeakPolarHBondContact O-CE1 3.5Å; F38-Y91 PolarHBondContact O-OH 2.71Å | ||
| 39 | E | 82.7 | Confident | 81.8 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -62.1 | -43.8 | 178.7 | -168.3 | -167.6 | 163.1 | 0 | 0 | 111.4 | H37 Q57 L58 | H37-E39 PolarHBondContact O-N 3.16Å; E39-Q57 HydrophobicContact CG-CG 4.31Å; E39-Q57 CarbonylContact O-C 3.34Å; E39-Q57 VanDerWaalsContact O-CA 3.26Å; E39-Q57 WeakPolarHBondContact O-CA 3.15Å; E39-Q57 PolarHBondContact OE1-NE2 3.3Å; E39-Q57 VanDerWaalsContact OE1-NE2 3.11Å; E39-L58 PolarHBondContact O-N 3.15Å |
| 40 | H | 88.1 | Confident | 82.4 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.7 | -179.5 | -67 | 85.9 | 0 | 0 | 0 | 110.9 | F38 | F38-H40 PolarHBondContact O-N 2.82Å |
| 41 | C | 91.8 | Very high | 83.7 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.9 | 178.7 | -72.8 | 0 | 0 | 0 | 0 | 111.3 | Q15 T26 F43 V56 Y91 | Q15-C41 PolarHBondContact NE2-SG 3.07Å; T26-C41 HydrophobicContact CG2-CB 4.41Å; T26-C41 WeakPolarHBondContact CG2-SG 3.38Å; C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.66Å; C41-F43 HydrophobicContact CB-CZ 4.12Å; C41-V56 HydrophobicContact CB-CG2 3.92Å; C41-V56 PolarHBondContact N-O 3Å; C41-V56 PolarHBondContact O-N 3.11Å; C41-Y91 HydrophobicContact CB-CE1 4.22Å |
| 42 | S | 94.6 | Very high | 85.9 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.3 | 172.3 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | Q15 M16 L54 H55 | Q15-S42 CarbonylContact C-O 3.46Å; Q15-S42 VanDerWaalsContact CA-O 3.29Å; Q15-S42 WeakPolarHBondContact CA-O 3.24Å; Q15-S42 WeakPolarHBondContact CG-O 3.38Å; M16-S42 PolarHBondContact N-O 3.3Å; S42-L54 CarbonylContact C-O 3.52Å; S42-L54 WeakPolarHBondContact CA-O 3.29Å; S42-H55 PolarHBondContact OG-CE1 3.5Å; S42-H55 VanDerWaalsContact OG-CE1 3.32Å; S42-H55 PolarHBondContact OG-ND1 3.45Å |
| 43 | F | 96.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 147.8 | 178.5 | -63.4 | -82.3 | 0 | 0 | 0 | 111.2 | I14 Q15 I24 T26 C41 R53 L54 V56 L105 T107 L111 | I14-F43 CarbonylContact O-C 3.59Å; I14-F43 WeakPolarHBondContact O-CA 3.49Å; Q15-F43 HydrophobicContact CB-CD1 3.87Å; Q15-F43 HydrophobicContact CB-CE1 3.74Å; Q15-F43 HydrophobicContact CG-CD1 4.24Å; Q15-F43 HydrophobicContact CG-CE1 3.94Å; Q15-F43 HydrophobicContact CG-CZ 4.37Å; I24-F43 HydrophobicContact CB-CE1 4.38Å; I24-F43 HydrophobicContact CG2-CE1 4.38Å; T26-F43 HydrophobicContact CG2-CE1 4.37Å; T26-F43 HydrophobicContact CG2-CE2 4.45Å; T26-F43 HydrophobicContact CG2-CZ 3.57Å; C41-F43 HydrophobicContact CB-CD2 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.66Å; C41-F43 HydrophobicContact CB-CZ 4.12Å; F43-R53 CarbonylContact O-C 3.56Å; F43-R53 WeakPolarHBondContact O-CA 3.49Å; F43-L54 HydrophobicContact CB-CB 4.3Å; F43-L54 HydrophobicContact CB-CD1 4.33Å; F43-L54 HydrophobicContact CB-CG 4.47Å; F43-L54 PolarHBondContact N-O 2.65Å; F43-L54 PolarHBondContact O-N 2.9Å; F43-V56 HydrophobicContact CD2-CG2 4.04Å; F43-V56 HydrophobicContact CE2-CG2 3.86Å; F43-L105 HydrophobicContact CD2-CD1 4.2Å; F43-L105 HydrophobicContact CE2-CD1 4.48Å; F43-T107 HydrophobicContact CE2-CG2 4.36Å; F43-T107 HydrophobicContact CZ-CG2 3.86Å; F43-L111 HydrophobicContact CD1-CD1 4.27Å; F43-L111 HydrophobicContact CD1-CD2 4.33Å; F43-L111 HydrophobicContact CD2-CD1 4.34Å; F43-L111 HydrophobicContact CE1-CD1 4.05Å; F43-L111 HydrophobicContact CE2-CD1 4.13Å; F43-L111 HydrophobicContact CG-CD1 4.4Å; F43-L111 HydrophobicContact CG-CD2 4.38Å; F43-L111 HydrophobicContact CZ-CD1 3.97Å |
| 44 | V | 95.8 | Very high | 89.2 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.1 | 173.2 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | I14 M16 R51 F52 R53 | I14-V44 PolarHBondContact N-O 2.93Å; I14-V44 VanDerWaalsContact N-O 3.15Å; I14-V44 PolarHBondContact O-N 3.04Å; M16-V44 HydrophobicContact CG-CG2 3.69Å; M16-V44 HydrophobicContact SD-CG2 4.08Å; V44-R51 HydrophobicContact CG1-CG 4.05Å; V44-F52 CarbonylContact C-O 3.45Å; V44-F52 VanDerWaalsContact CA-O 3.31Å; V44-F52 WeakPolarHBondContact CA-O 3.48Å; V44-R53 HydrophobicContact CG2-CG 4.39Å |
| 45 | L | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.4 | 172.7 | -41.8 | -176.4 | 0 | 0 | 0 | 108.7 | I11 P13 T47 R51 F52 L54 L111 I115 I124 F140 | I11-L45 HydrophobicContact CD1-CB 4.11Å; I11-L45 HydrophobicContact CD1-CD1 4.19Å; I11-L45 HydrophobicContact CD1-CD2 4.12Å; I11-L45 HydrophobicContact CD1-CG 4.38Å; P13-L45 HydrophobicContact CB-CD2 3.47Å; P13-L45 VanDerWaalsContact CB-CD2 3.47Å; P13-L45 HydrophobicContact CG-CD2 3.79Å; L45-T47 HydrophobicContact CB-CG2 4Å; L45-R51 CarbonylContact O-C 3.56Å; L45-R51 WeakPolarHBondContact O-CA 3.22Å; L45-F52 HydrophobicContact CB-CB 4.12Å; L45-F52 HydrophobicContact CD1-CB 4.43Å; L45-F52 HydrophobicContact CG-CB 4.32Å; L45-F52 PolarHBondContact N-O 3.03Å; L45-F52 PolarHBondContact O-N 3.41Å; L45-L54 HydrophobicContact CD1-CD1 4.04Å; L45-L54 HydrophobicContact CG-CD1 4.26Å; L45-L111 HydrophobicContact CD2-CD2 3.89Å; L45-I115 HydrophobicContact CD1-CD1 3.57Å; L45-I124 HydrophobicContact CD1-CD1 3.58Å; L45-I124 HydrophobicContact CD1-CG1 4.45Å; L45-F140 HydrophobicContact CD1-CD2 4.44Å; L45-F140 HydrophobicContact CD1-CE2 4.18Å |
| 46 | K | 94.9 | Very high | 91.9 | Very high | 137 Ų | 137 | 54.2 Ų | 54.2 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.8 | 170.6 | -65.2 | -177.5 | 179.6 | -176.2 | 0 | 107.2 | I11 | I11-K46 WeakPolarHBondContact CG2-O 3.48Å |
| 47 | T | 94.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.8 | -172.1 | 76.7 | 0 | 0 | 0 | 0 | 108.9 | E9 I11 L45 Y49 G50 F52 F140 | E9-T47 WeakPolarHBondContact OE1-CA 3.39Å; E9-T47 WeakPolarHBondContact OE1-CB 3.35Å; I11-T47 HydrophobicContact CG2-CG2 4.29Å; L45-T47 HydrophobicContact CB-CG2 4Å; T47-Y49 PolarHBondContact O-N 2.82Å; T47-Y49 PolarHBondContact OG1-N 2.93Å; T47-G50 PolarHBondContact N-O 2.94Å; T47-G50 PolarHBondContact O-N 3.05Å; T47-G50 VanDerWaalsContact O-N 3.08Å; T47-G50 PolarHBondContact OG1-N 2.84Å; T47-G50 PolarHBondContact OG1-O 3.08Å; T47-F52 HydrophobicContact CG2-CD2 3.82Å; T47-F52 HydrophobicContact CG2-CE2 4.04Å; T47-F52 VanDerWaalsContact OG1-CE2 3.3Å; T47-F52 WeakPolarHBondContact OG1-CE2 3.48Å; T47-F140 HydrophobicContact CG2-CD1 3.85Å; T47-F140 HydrophobicContact CG2-CD2 4.14Å; T47-F140 HydrophobicContact CG2-CE1 3.77Å; T47-F140 HydrophobicContact CG2-CE2 4.05Å; T47-F140 HydrophobicContact CG2-CG 4.04Å; T47-F140 HydrophobicContact CG2-CZ 3.86Å |
| 48 | S | 92.1 | Very high | 93 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.5 | 168.7 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | E9 G50 | E9-S48 VanDerWaalsContact CD-N 3.3Å; E9-S48 PolarHBondContact OE1-N 2.82Å; E9-S48 PolarHBondContact OE1-OG 3.03Å; E9-S48 PolarHBondContact OE2-N 2.9Å; E9-S48 PolarHBondContact OE2-OG 3.1Å; S48-G50 VanDerWaalsContact C-N 3.26Å; S48-G50 PolarHBondContact O-N 3.34Å |
| 49 | Y | 91 | Very high | 93.5 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.1 | 175.1 | -63 | -86 | 0 | 0 | 0 | 113.8 | T47 F122 F140 | T47-Y49 PolarHBondContact O-N 2.82Å; T47-Y49 PolarHBondContact OG1-N 2.93Å; Y49-F122 AromaticContact CD1-CE1 3.78Å; Y49-F122 HydrophobicContact CD1-CE1 3.78Å; Y49-F122 HydrophobicContact CD1-CZ 4.01Å; Y49-F122 HydrophobicContact CD2-CD1 4.41Å; Y49-F122 AromaticContact CD2-CE1 3.75Å; Y49-F122 HydrophobicContact CD2-CE1 3.75Å; Y49-F122 HydrophobicContact CE1-CE1 4.03Å; Y49-F122 AromaticContact CE2-CE1 3.97Å; Y49-F122 HydrophobicContact CE2-CE1 3.97Å; Y49-F122 AromaticContact CG-CE1 3.63Å; Y49-F122 HydrophobicContact CG-CE1 3.63Å; Y49-F122 HydrophobicContact CG-CZ 4.02Å; Y49-F140 HydrophobicContact CD2-CD1 4.33Å; Y49-F140 AromaticContact CD2-CE1 3.73Å; Y49-F140 HydrophobicContact CD2-CE1 3.73Å; Y49-F140 HydrophobicContact CE2-CE1 4.33Å |
| 50 | G | 92.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.8 | -171 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T47 S48 | T47-G50 PolarHBondContact N-O 2.94Å; T47-G50 PolarHBondContact O-N 3.05Å; T47-G50 VanDerWaalsContact O-N 3.08Å; T47-G50 PolarHBondContact OG1-N 2.84Å; T47-G50 PolarHBondContact OG1-O 3.08Å; S48-G50 VanDerWaalsContact C-N 3.26Å; S48-G50 PolarHBondContact O-N 3.34Å |
| 51 | R | 94.9 | Very high | 93.6 | Very high | 165 Ų | 165 | 49.3 Ų | 49.3 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105 | -177.4 | -176 | -179 | 175.7 | -172.8 | -5.4 | 110.2 | V44 L45 | V44-R51 HydrophobicContact CG1-CG 4.05Å; L45-R51 CarbonylContact O-C 3.56Å; L45-R51 WeakPolarHBondContact O-CA 3.22Å |
| 52 | F | 96 | Very high | 93.7 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 129.3 | 174.1 | -62.2 | -94.4 | 0 | 0 | 0 | 110.1 | V44 L45 T47 L54 V95 I115 F117 F122 F140 | V44-F52 CarbonylContact C-O 3.45Å; V44-F52 VanDerWaalsContact CA-O 3.31Å; V44-F52 WeakPolarHBondContact CA-O 3.48Å; L45-F52 HydrophobicContact CB-CB 4.12Å; L45-F52 HydrophobicContact CD1-CB 4.43Å; L45-F52 HydrophobicContact CG-CB 4.32Å; L45-F52 PolarHBondContact N-O 3.03Å; L45-F52 PolarHBondContact O-N 3.41Å; T47-F52 HydrophobicContact CG2-CD2 3.82Å; T47-F52 HydrophobicContact CG2-CE2 4.04Å; T47-F52 VanDerWaalsContact OG1-CE2 3.3Å; T47-F52 WeakPolarHBondContact OG1-CE2 3.48Å; F52-L54 HydrophobicContact CB-CD2 3.97Å; F52-V95 HydrophobicContact CD1-CG1 4.26Å; F52-V95 HydrophobicContact CD1-CG2 4.18Å; F52-I115 HydrophobicContact CD1-CG2 4.41Å; F52-I115 HydrophobicContact CE1-CG2 4.44Å; F52-F117 HydrophobicContact CD1-CD1 4.48Å; F52-F117 HydrophobicContact CE1-CB 4.1Å; F52-F117 AromaticContact CE1-CD1 3.52Å; F52-F117 HydrophobicContact CE1-CD1 3.52Å; F52-F117 HydrophobicContact CE1-CE1 4.07Å; F52-F117 AromaticContact CE1-CG 3.84Å; F52-F117 HydrophobicContact CE1-CG 3.84Å; F52-F117 HydrophobicContact CZ-CD1 4.16Å; F52-F122 HydrophobicContact CE1-CD2 4.45Å; F52-F122 HydrophobicContact CE1-CE2 4.29Å; F52-F122 HydrophobicContact CZ-CD2 4.21Å; F52-F122 AromaticContact CZ-CE2 3.9Å; F52-F122 HydrophobicContact CZ-CE2 3.9Å; F52-F122 HydrophobicContact CZ-CZ 4.25Å; F52-F140 HydrophobicContact CD2-CZ 4.39Å; F52-F140 HydrophobicContact CE2-CE1 4.46Å; F52-F140 AromaticContact CE2-CZ 3.88Å; F52-F140 HydrophobicContact CE2-CZ 3.88Å; F52-F140 HydrophobicContact CZ-CZ 4.31Å |
| 53 | R | 96.4 | Very high | 93.5 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.1 | 166.1 | 179.6 | -178.8 | -176.5 | 175.3 | 2.3 | 107.3 | F43 V44 H55 V95 H96 | F43-R53 CarbonylContact O-C 3.56Å; F43-R53 WeakPolarHBondContact O-CA 3.49Å; V44-R53 HydrophobicContact CG2-CG 4.39Å; R53-H55 PolarHBondContact NE-NE2 3.12Å; R53-V95 CarbonylContact O-C 3.56Å; R53-V95 WeakPolarHBondContact O-CA 3.45Å; R53-H96 HydrophobicContact CB-CB 3.83Å; R53-H96 HydrophobicContact CG-CB 3.91Å; R53-H96 WeakPolarHBondContact O-CB 3.47Å; R53-H96 PolarHBondContact O-N 3.42Å |
| 54 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.8 | -177.3 | -43.4 | 179.1 | 0 | 0 | 0 | 108.6 | S42 F43 L45 F52 V56 V95 V103 L105 I115 | S42-L54 CarbonylContact C-O 3.52Å; S42-L54 WeakPolarHBondContact CA-O 3.29Å; F43-L54 HydrophobicContact CB-CB 4.3Å; F43-L54 HydrophobicContact CB-CD1 4.33Å; F43-L54 HydrophobicContact CB-CG 4.47Å; F43-L54 PolarHBondContact N-O 2.65Å; F43-L54 PolarHBondContact O-N 2.9Å; L45-L54 HydrophobicContact CD1-CD1 4.04Å; L45-L54 HydrophobicContact CG-CD1 4.26Å; F52-L54 HydrophobicContact CB-CD2 3.97Å; L54-V56 HydrophobicContact CB-CG1 4.33Å; L54-V95 HydrophobicContact CD2-CG2 3.97Å; L54-V103 HydrophobicContact CD1-CG1 4.12Å; L54-V103 HydrophobicContact CD2-CG2 4.03Å; L54-L105 HydrophobicContact CD1-CD1 3.86Å; L54-I115 HydrophobicContact CD1-CD1 3.89Å; L54-I115 HydrophobicContact CD1-CG1 4.35Å; L54-I115 HydrophobicContact CD2-CD1 3.83Å; L54-I115 HydrophobicContact CD2-CG1 4.25Å; L54-I115 HydrophobicContact CG-CD1 4.5Å |
| 55 | H | 95.3 | Very high | 92 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.8 | 166.7 | -71.3 | -81.2 | 0 | 0 | 0 | 107.6 | S42 R53 G93 Q94 H96 | S42-H55 PolarHBondContact OG-CE1 3.5Å; S42-H55 VanDerWaalsContact OG-CE1 3.32Å; S42-H55 PolarHBondContact OG-ND1 3.45Å; R53-H55 PolarHBondContact NE-NE2 3.12Å; H55-G93 WeakPolarHBondContact O-CA 3.11Å; H55-Q94 PolarHBondContact N-O 3.26Å; H55-Q94 PolarHBondContact O-N 2.89Å; H55-H96 AromaticContact CD2-CD2 3.72Å; H55-H96 AromaticContact NE2-CD2 3.2Å; H55-H96 PolarHBondContact NE2-CD2 3.4Å; H55-H96 AromaticContact NE2-CG 3.71Å |
| 56 | V | 96.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.2 | -174.8 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | C41 F43 L54 Y91 Q92 V103 L105 | C41-V56 HydrophobicContact CB-CG2 3.92Å; C41-V56 PolarHBondContact N-O 3Å; C41-V56 PolarHBondContact O-N 3.11Å; F43-V56 HydrophobicContact CD2-CG2 4.04Å; F43-V56 HydrophobicContact CE2-CG2 3.86Å; L54-V56 HydrophobicContact CB-CG1 4.33Å; V56-Y91 HydrophobicContact CB-CD1 4.44Å; V56-Y91 HydrophobicContact CG2-CD1 3.84Å; V56-Y91 HydrophobicContact CG2-CG 4.01Å; V56-Q92 CarbonylContact C-O 3.58Å; V56-Q92 WeakPolarHBondContact CA-O 3.3Å; V56-Q92 WeakPolarHBondContact CB-O 3.24Å; V56-V103 HydrophobicContact CG1-CB 4.24Å; V56-V103 HydrophobicContact CG1-CG1 3.72Å; V56-L105 HydrophobicContact CG1-CD1 3.9Å; V56-L105 HydrophobicContact CG2-CD1 4.4Å |
| 57 | Q | 93.3 | Very high | 91 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.9 | 176.7 | -171 | 177.7 | 8.8 | 0 | 0 | 109.4 | E39 Y91 Q92 | E39-Q57 HydrophobicContact CG-CG 4.31Å; E39-Q57 CarbonylContact O-C 3.34Å; E39-Q57 VanDerWaalsContact O-CA 3.26Å; E39-Q57 WeakPolarHBondContact O-CA 3.15Å; E39-Q57 PolarHBondContact OE1-NE2 3.3Å; E39-Q57 VanDerWaalsContact OE1-NE2 3.11Å; Q57-Y91 VanDerWaalsContact C-CD1 3.47Å; Q57-Y91 CarbonylContact O-C 3.54Å; Q57-Y91 WeakPolarHBondContact O-CA 2.88Å; Q57-Q92 PolarHBondContact N-O 3.17Å; Q57-Q92 PolarHBondContact O-N 3.17Å |
| 58 | L | 88.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 134.2 | 178 | -167.7 | 75.2 | 0 | 0 | 0 | 109.8 | H37 E39 D60 N88 Y90 Y91 | H37-L58 HydrophobicContact CB-CD1 4.25Å; E39-L58 PolarHBondContact O-N 3.15Å; L58-D60 PolarHBondContact O-N 2.92Å; L58-N88 WeakPolarHBondContact CD1-O 3.38Å; L58-Y90 WeakPolarHBondContact CA-O 3.5Å; L58-Y90 WeakPolarHBondContact CD1-O 3.41Å; L58-Y91 HydrophobicContact CB-CD1 4.24Å; L58-Y91 HydrophobicContact CB-CE1 3.94Å; L58-Y91 HydrophobicContact CD1-CD1 4.3Å; L58-Y91 HydrophobicContact CD1-CD2 4.23Å; L58-Y91 HydrophobicContact CD1-CE1 3.81Å; L58-Y91 HydrophobicContact CD1-CE2 3.75Å; L58-Y91 HydrophobicContact CD1-CG 4.48Å |
| 59 | N | 93.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | trans | -81.7 | 99.5 | 175 | -171.2 | -13.1 | 0 | 0 | 0 | 109.5 | V61 L62 N88 Y90 Q92 N216 D219 R228 | N59-V61 PolarHBondContact OD1-N 3.16Å; N59-L62 HydrophobicContact CB-CB 4.34Å; N59-L62 PolarHBondContact OD1-N 2.67Å; N59-N88 PolarHBondContact O-ND2 2.89Å; N59-N88 PolarHBondContact O-OD1 3.14Å; N59-Y90 PolarHBondContact N-O 3.02Å; N59-Q92 PolarHBondContact ND2-NE2 3.16Å; N59-N216 PolarHBondContact ND2-OD1 2.64Å; N59-D219 PolarHBondContact ND2-OD2 2.77Å; N59-R228 PolarHBondContact OD1-NH2 2.99Å | ||
| 60 | D | 84.9 | Confident | 91 | Very high | 117 Ų | 117 | 42.1 Ų | 42.1 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -80 | -18.1 | -174.8 | 59.8 | -19.2 | 0 | 0 | 0 | 114.6 | L58 R228 | L58-D60 PolarHBondContact O-N 2.92Å; D60-R228 IonicContact OD1-NH2 3.96Å |
| 61 | V | 88.3 | Confident | 90.9 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -91.3 | -23.9 | -177.5 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | N59 I63 F185 R228 S230 P387 | N59-V61 PolarHBondContact OD1-N 3.16Å; V61-I63 VanDerWaalsContact C-N 3.32Å; V61-I63 PolarHBondContact O-N 2.55Å; V61-F185 HydrophobicContact CG1-CD1 3.87Å; V61-F185 HydrophobicContact CG1-CE1 3.93Å; V61-F185 HydrophobicContact CG2-CE1 4.15Å; V61-R228 HydrophobicContact CG1-CB 3.99Å; V61-S230 WeakPolarHBondContact CG1-OG 3.35Å; V61-S230 WeakPolarHBondContact O-CB 3.28Å; V61-S230 PolarHBondContact O-OG 3.15Å; V61-S230 VanDerWaalsContact O-OG 3.1Å; V61-P387 HydrophobicContact CG1-CG 4.32Å |
| 62 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -55.5 | -39.1 | -170.8 | -176.7 | 65.3 | 0 | 0 | 0 | 114.9 | N59 Y90 L212 V215 N216 V231 | N59-L62 HydrophobicContact CB-CB 4.34Å; N59-L62 PolarHBondContact OD1-N 2.67Å; L62-Y90 HydrophobicContact CD2-CD1 4.11Å; L62-Y90 HydrophobicContact CD2-CD2 3.58Å; L62-Y90 HydrophobicContact CD2-CE2 4.32Å; L62-Y90 HydrophobicContact CD2-CG 3.47Å; L62-Y90 VanDerWaalsContact CD2-CG 3.47Å; L62-L212 HydrophobicContact CD1-CD2 4.45Å; L62-L212 HydrophobicContact CD2-CB 4.44Å; L62-L212 HydrophobicContact CD2-CD2 4.34Å; L62-L212 HydrophobicContact CG-CD2 4.06Å; L62-V215 HydrophobicContact CD1-CB 3.86Å; L62-V215 HydrophobicContact CD1-CG1 3.61Å; L62-N216 HydrophobicContact CD2-CB 3.95Å; L62-V231 PolarHBondContact O-N 3.16Å |
| 63 | I | 90.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -125.8 | 89.7 | -174.1 | -51.2 | 173.4 | 0 | 0 | 0 | 109 | V61 Y69 Y90 L212 | V61-I63 VanDerWaalsContact C-N 3.32Å; V61-I63 PolarHBondContact O-N 2.55Å; I63-Y69 HydrophobicContact CG2-CE2 4.41Å; I63-Y90 HydrophobicContact CD1-CD2 4.12Å; I63-Y90 HydrophobicContact CD1-CE2 3.77Å; I63-L212 HydrophobicContact CD1-CD1 3.74Å; I63-L212 HydrophobicContact CD1-CD2 4.19Å; I63-L212 HydrophobicContact CG1-CD1 4.17Å; I63-L212 HydrophobicContact CG1-CD2 3.72Å |
| 64 | P | 87 | Confident | 88.9 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | trans | -59.3 | 145.6 | 171.9 | -25.2 | 36.4 | 0 | 0 | 0 | 111.7 | G66 A67 V231 V232 P387 L388 | P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.33Å; P64-A67 HydrophobicContact CB-CB 4.38Å; P64-A67 WeakPolarHBondContact O-CB 3.48Å; P64-A67 PolarHBondContact O-N 2.75Å; P64-V231 WeakPolarHBondContact CD-O 3.42Å; P64-V232 HydrophobicContact CG-CG1 4.4Å; P64-P387 HydrophobicContact CB-CB 4.24Å; P64-P387 HydrophobicContact CG-CB 3.51Å; P64-P387 HydrophobicContact CG-CG 4.25Å; P64-L388 HydrophobicContact CB-CD1 3.78Å; P64-L388 HydrophobicContact CB-CG 4.24Å | ||
| 65 | A | 74.3 | Confident | 87.5 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -49 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A67 H84 | A65-A67 VanDerWaalsContact C-N 3.29Å; A65-A67 PolarHBondContact O-N 2.71Å; A65-H84 WeakPolarHBondContact CB-CE1 3.35Å; A65-H84 WeakPolarHBondContact CB-NE2 3.4Å; A65-H84 PolarHBondContact O-CD2 3.46Å |
| 66 | G | 80.8 | Confident | 86 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P64 | P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.33Å |
| 67 | A | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -61.7 | 144.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P64 A65 Y69 S82 G83 V231 V232 L388 | P64-A67 HydrophobicContact CB-CB 4.38Å; P64-A67 WeakPolarHBondContact O-CB 3.48Å; P64-A67 PolarHBondContact O-N 2.75Å; A65-A67 VanDerWaalsContact C-N 3.29Å; A65-A67 PolarHBondContact O-N 2.71Å; A67-Y69 HydrophobicContact CB-CE2 3.79Å; A67-S82 CarbonylContact O-C 3.53Å; A67-S82 WeakPolarHBondContact O-CA 3.38Å; A67-G83 PolarHBondContact O-N 2.76Å; A67-V231 VanDerWaalsContact CB-O 3.23Å; A67-V231 WeakPolarHBondContact CB-O 3.16Å; A67-V232 CarbonylContact C-O 3.58Å; A67-V232 VanDerWaalsContact CA-O 3.24Å; A67-V232 WeakPolarHBondContact CA-O 3.47Å; A67-L388 VanDerWaalsContact N-CD1 3.32Å | ||
| 68 | R | 91.4 | Very high | 83.8 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.6 | -171.9 | -70 | 172.8 | 51.4 | -138.7 | -70.1 | 111.8 | R70 E80 V232 H233 A234 T266 | R68-R70 VanDerWaalsContact NH2-NH1 3.15Å; R68-R70 VanDerWaalsContact NH2-NH2 3.15Å; R68-E80 WeakPolarHBondContact CD-OE1 3.37Å; R68-E80 WeakPolarHBondContact CG-OE1 3.19Å; R68-E80 IonicContact CZ-OE1 3Å; R68-E80 IonicContact NE-OE1 2.7Å; R68-E80 PolarHBondContact NE-OE1 3.19Å; R68-E80 IonicContact NE-OE2 3.32Å; R68-V232 PolarHBondContact N-O 3.17Å; R68-H233 PolarHBondContact NH2-CE1 3.5Å; R68-H233 PolarHBondContact NH2-ND1 2.71Å; R68-H233 CarbonylContact O-C 3.57Å; R68-H233 VanDerWaalsContact O-CA 3.28Å; R68-H233 WeakPolarHBondContact O-CA 3.06Å; R68-A234 PolarHBondContact O-N 2.67Å; R68-T266 PolarHBondContact NH1-O 3.19Å |
| 69 | Y | 93.2 | Very high | 83.3 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108.9 | 179 | -63.2 | -94.5 | 0 | 0 | 0 | 109 | I63 A67 E80 T81 L86 F208 L212 V231 A234 | I63-Y69 HydrophobicContact CG2-CE2 4.41Å; A67-Y69 HydrophobicContact CB-CE2 3.79Å; Y69-E80 CarbonylContact O-C 3.38Å; Y69-T81 WeakPolarHBondContact CA-O 3.3Å; Y69-T81 WeakPolarHBondContact CB-O 3.49Å; Y69-T81 PolarHBondContact N-O 3.1Å; Y69-T81 PolarHBondContact O-N 2.88Å; Y69-L86 HydrophobicContact CD1-CD1 3.68Å; Y69-L86 HydrophobicContact CD2-CD1 3.78Å; Y69-L86 HydrophobicContact CE1-CD1 3.54Å; Y69-L86 HydrophobicContact CE2-CD1 3.68Å; Y69-L86 HydrophobicContact CG-CD1 3.8Å; Y69-F208 HydrophobicContact CD1-CB 4.07Å; Y69-F208 AromaticContact CD1-CD1 3.62Å; Y69-F208 HydrophobicContact CD1-CD1 3.62Å; Y69-F208 HydrophobicContact CD1-CD2 4.25Å; Y69-F208 HydrophobicContact CD1-CE1 4Å; Y69-F208 AromaticContact CD1-CG 3.75Å; Y69-F208 HydrophobicContact CD1-CG 3.75Å; Y69-F208 HydrophobicContact CD1-CZ 4.47Å; Y69-F208 HydrophobicContact CE1-CB 4.49Å; Y69-F208 HydrophobicContact CE1-CD1 4.43Å; Y69-L212 HydrophobicContact CE1-CD1 4.3Å; Y69-V231 HydrophobicContact CE1-CG1 4.34Å; Y69-A234 CarbonylContact C-O 3.49Å; Y69-A234 WeakPolarHBondContact CA-O 3.33Å; Y69-A234 HydrophobicContact CD1-CB 3.79Å; Y69-A234 HydrophobicContact CE1-CB 4.01Å |
| 70 | R | 92.8 | Very high | 82.6 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.3 | -172.1 | -70.9 | -166.9 | 174.8 | 169.7 | -13.8 | 113.1 | R68 V78 E80 F208 A234 E235 L236 | R68-R70 VanDerWaalsContact NH2-NH1 3.15Å; R68-R70 VanDerWaalsContact NH2-NH2 3.15Å; R70-V78 HydrophobicContact CB-CG1 4.26Å; R70-V78 HydrophobicContact CG-CG1 4.12Å; R70-E80 HydrophobicContact CG-CB 4.28Å; R70-E80 HydrophobicContact CG-CG 3.99Å; R70-E80 IonicContact CZ-OE2 3.75Å; R70-E80 IonicContact NE-OE2 3.65Å; R70-E80 PolarHBondContact NE-OE2 3.41Å; R70-E80 IonicContact NH2-OE2 3.86Å; R70-E80 PolarHBondContact NH2-OE2 2.83Å; R70-F208 WeakPolarHBondContact O-CZ 3.4Å; R70-A234 PolarHBondContact N-O 2.88Å; R70-E235 HydrophobicContact CB-CB 4.28Å; R70-E235 HydrophobicContact CB-CG 3.96Å; R70-E235 CarbonylContact O-C 3.57Å; R70-E235 WeakPolarHBondContact O-CA 3.37Å; R70-L236 PolarHBondContact O-N 2.82Å |
| 71 | R | 90 | Very high | 82.3 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.6 | 161.1 | -63 | 172.9 | 58.2 | 146.3 | 2 | 108.2 | L73 V78 A79 S204 V238 | R71-L73 HydrophobicContact CB-CD1 4.3Å; R71-V78 WeakPolarHBondContact O-CA 3.5Å; R71-A79 HydrophobicContact CB-CB 4.3Å; R71-A79 PolarHBondContact N-O 3.18Å; R71-A79 PolarHBondContact O-N 3.5Å; R71-A79 VanDerWaalsContact O-N 3.13Å; R71-S204 VanDerWaalsContact CD-OG 3.24Å; R71-S204 WeakPolarHBondContact CD-OG 3.39Å; R71-S204 PolarHBondContact NE-OG 2.89Å; R71-S204 VanDerWaalsContact NE-OG 3.16Å; R71-S204 PolarHBondContact NH1-OG 3.35Å; R71-V238 HydrophobicContact CB-CG2 4.32Å |
| 72 | F | 87.9 | Confident | 81.6 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.6 | 175.4 | -175.8 | -95.4 | 0 | 0 | 0 | 109.5 | V78 E235 L236 V238 R242 | F72-V78 HydrophobicContact CD2-CG2 4.01Å; F72-V78 HydrophobicContact CE2-CG2 4.49Å; F72-E235 HydrophobicContact CB-CG 4.17Å; F72-L236 PolarHBondContact N-O 2.96Å; F72-V238 PolarHBondContact O-N 3.09Å; F72-R242 HydrophobicContact CD1-CG 3.64Å; F72-R242 HydrophobicContact CD2-CG 4.26Å; F72-R242 HydrophobicContact CE1-CG 3.4Å; F72-R242 VanDerWaalsContact CE1-CG 3.4Å; F72-R242 HydrophobicContact CE2-CG 4.06Å; F72-R242 HydrophobicContact CG-CG 4.07Å; F72-R242 HydrophobicContact CZ-CG 3.63Å |
| 73 | L | 82.7 | Confident | 80.1 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 29% | 0.293 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -64.5 | 170.5 | -74.2 | 75.1 | 0 | 0 | 0 | 108.9 | R71 S77 V238 S239 | R71-L73 HydrophobicContact CB-CD1 4.3Å; L73-S77 WeakPolarHBondContact CB-O 3.16Å; L73-S77 WeakPolarHBondContact CB-OG 3.2Å; L73-S77 PolarHBondContact N-O 3.32Å; L73-S77 VanDerWaalsContact N-O 3.14Å; L73-V238 HydrophobicContact CG-CB 4.4Å; L73-S239 WeakPolarHBondContact O-CB 3Å |
| 74 | H | 74.7 | Confident | 78.9 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.468 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 173.4 | 173.1 | -172.1 | 66.8 | 0 | 0 | 0 | 109.4 | D76 S77 | H74-D76 PolarHBondContact O-N 2.89Å; H74-S77 PolarHBondContact N-OG 3.32Å; H74-S77 VanDerWaalsContact N-OG 3.11Å; H74-S77 CarbonylContact O-C 3.56Å; H74-S77 PolarHBondContact O-N 3.3Å; H74-S77 PolarHBondContact O-OG 3.48Å |
| 75 | S | 67.3 | Low | 78.1 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -37.2 | -174.9 | -165.1 | 0 | 0 | 0 | 0 | 114 | ||
| 76 | D | 63.9 | Low | 78.5 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 81% | 0.807 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.9 | -176.5 | -55 | -34.3 | 0 | 0 | 0 | 114.4 | H74 | H74-D76 PolarHBondContact O-N 2.89Š|
| 77 | S | 70.2 | Confident | 78.6 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 78 | -173.9 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | L73 H74 | L73-S77 WeakPolarHBondContact CB-O 3.16Å; L73-S77 WeakPolarHBondContact CB-OG 3.2Å; L73-S77 PolarHBondContact N-O 3.32Å; L73-S77 VanDerWaalsContact N-O 3.14Å; H74-S77 PolarHBondContact N-OG 3.32Å; H74-S77 VanDerWaalsContact N-OG 3.11Å; H74-S77 CarbonylContact O-C 3.56Å; H74-S77 PolarHBondContact O-N 3.3Å; H74-S77 PolarHBondContact O-OG 3.48Å |
| 78 | V | 73.5 | Confident | 78.5 | Confident | 67 Ų | 67 | 63 Ų | 63 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.7 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | R70 R71 F72 | R70-V78 HydrophobicContact CB-CG1 4.26Å; R70-V78 HydrophobicContact CG-CG1 4.12Å; R71-V78 WeakPolarHBondContact O-CA 3.5Å; F72-V78 HydrophobicContact CD2-CG2 4.01Å; F72-V78 HydrophobicContact CE2-CG2 4.49Å |
| 79 | A | 78.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R71 | R71-A79 HydrophobicContact CB-CB 4.3Å; R71-A79 PolarHBondContact N-O 3.18Å; R71-A79 PolarHBondContact O-N 3.5Å; R71-A79 VanDerWaalsContact O-N 3.13Å |
| 80 | E | 79.9 | Confident | 78.7 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.9 | 180 | -173.2 | 168.3 | 145.2 | 0 | 0 | 110.4 | R68 Y69 R70 | R68-E80 WeakPolarHBondContact CD-OE1 3.37Å; R68-E80 WeakPolarHBondContact CG-OE1 3.19Å; R68-E80 IonicContact CZ-OE1 3Å; R68-E80 IonicContact NE-OE1 2.7Å; R68-E80 PolarHBondContact NE-OE1 3.19Å; R68-E80 IonicContact NE-OE2 3.32Å; Y69-E80 CarbonylContact O-C 3.38Å; R70-E80 HydrophobicContact CG-CB 4.28Å; R70-E80 HydrophobicContact CG-CG 3.99Å; R70-E80 IonicContact CZ-OE2 3.75Å; R70-E80 IonicContact NE-OE2 3.65Å; R70-E80 PolarHBondContact NE-OE2 3.41Å; R70-E80 IonicContact NH2-OE2 3.86Å; R70-E80 PolarHBondContact NH2-OE2 2.83Å |
| 81 | T | 78.1 | Confident | 78.9 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.4 | 179.8 | -65 | 0 | 0 | 0 | 0 | 107.8 | Y69 S85 | Y69-T81 WeakPolarHBondContact CA-O 3.3Å; Y69-T81 WeakPolarHBondContact CB-O 3.49Å; Y69-T81 PolarHBondContact N-O 3.1Å; Y69-T81 PolarHBondContact O-N 2.88Å; T81-S85 WeakPolarHBondContact CG2-OG 3.41Å |
| 82 | S | 74 | Confident | 79.3 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 155.8 | -178.3 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | A67 H84 S85 | A67-S82 CarbonylContact O-C 3.53Å; A67-S82 WeakPolarHBondContact O-CA 3.38Å; S82-H84 PolarHBondContact O-N 3.08Å; S82-S85 WeakPolarHBondContact O-CB 3.37Å; S82-S85 PolarHBondContact O-N 3.37Å; S82-S85 PolarHBondContact O-OG 2.85Å |
| 83 | G | 63.1 | Low | 79.7 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -54.2 | -36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A67 S85 L86 | A67-G83 PolarHBondContact O-N 2.76Å; G83-S85 PolarHBondContact O-N 2.66Å; G83-S85 VanDerWaalsContact O-N 3.07Å; G83-L86 PolarHBondContact O-N 3.11Å |
| 84 | H | 64.2 | Low | 80.3 | Confident | 147 Ų | 147 | 56 Ų | 56 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -53.7 | -28 | 174.6 | -80.5 | -52.2 | 0 | 0 | 0 | 115.5 | A65 S82 L86 | A65-H84 WeakPolarHBondContact CB-CE1 3.35Å; A65-H84 WeakPolarHBondContact CB-NE2 3.4Å; A65-H84 PolarHBondContact O-CD2 3.46Å; S82-H84 PolarHBondContact O-N 3.08Å; H84-L86 VanDerWaalsContact C-N 3.33Å |
| 85 | S | 71 | Confident | 81.4 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -82 | -12.9 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | T81 S82 G83 | T81-S85 WeakPolarHBondContact CG2-OG 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.37Å; S82-S85 PolarHBondContact O-N 3.37Å; S82-S85 PolarHBondContact O-OG 2.85Å; G83-S85 PolarHBondContact O-N 2.66Å; G83-S85 VanDerWaalsContact O-N 3.07Å |
| 86 | L | 81.7 | Confident | 82.7 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -92.8 | 120.9 | 176.5 | -65.5 | 178.7 | 0 | 0 | 0 | 109.4 | Y69 G83 H84 N88 T205 L212 | Y69-L86 HydrophobicContact CD1-CD1 3.68Å; Y69-L86 HydrophobicContact CD2-CD1 3.78Å; Y69-L86 HydrophobicContact CE1-CD1 3.54Å; Y69-L86 HydrophobicContact CE2-CD1 3.68Å; Y69-L86 HydrophobicContact CG-CD1 3.8Å; G83-L86 PolarHBondContact O-N 3.11Å; H84-L86 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.8Å; L86-T205 HydrophobicContact CD2-CG2 3.72Å; L86-L212 HydrophobicContact CD1-CD1 3.93Å |
| 87 | A | 83.5 | Confident | 84.1 | Confident | 49 Ų | 49 | 48.6 Ų | 48.6 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | trans | -61 | 128.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C89 | A87-C89 PolarHBondContact O-N 3.02Å; A87-C89 PolarHBondContact O-SG 3.1Å | ||
| 88 | N | 86.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | trans | -80.9 | 104 | 170.8 | -171.5 | -2.2 | 0 | 0 | 0 | 109.7 | H37 L58 N59 L86 Y90 | H37-N88 WeakPolarHBondContact CB-O 3.34Å; H37-N88 PolarHBondContact CD2-O 3.24Å; H37-N88 VanDerWaalsContact CG-O 3.24Å; L58-N88 WeakPolarHBondContact CD1-O 3.38Å; N59-N88 PolarHBondContact O-ND2 2.89Å; N59-N88 PolarHBondContact O-OD1 3.14Å; L86-N88 PolarHBondContact O-N 2.8Å; N88-Y90 PolarHBondContact OD1-N 3.37Å | ||
| 89 | C | 92.5 | Very high | 85.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | trans | -129.6 | 28.1 | -179.6 | 33.3 | 0 | 0 | 0 | 0 | 111.5 | A87 Y91 S106 T107 C108 | A87-C89 PolarHBondContact O-N 3.02Å; A87-C89 PolarHBondContact O-SG 3.1Å; C89-Y91 WeakPolarHBondContact O-CD2 3.35Å; C89-S106 WeakPolarHBondContact O-CA 3.41Å; C89-T107 PolarHBondContact O-N 2.9Å; C89-T107 PolarHBondContact O-OG1 3Å; C89-C108 HydrophobicContact CB-CB 4.08Å; C89-C108 WeakPolarHBondContact CB-SG 3.41Å; C89-C108 WeakPolarHBondContact SG-CA 3.46Å; C89-C108 WeakPolarHBondContact SG-CB 3.42Å; C89-C108 CovalentContact SG-SG 2.02Å; C89-C108 PolarHBondContact SG-SG 2.79Å | ||
| 90 | Y | 96.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.5 | -177.2 | -53.3 | -84.2 | 0 | 0 | 0 | 109.7 | L58 N59 L62 I63 N88 L105 R209 L212 E213 N216 | L58-Y90 WeakPolarHBondContact CA-O 3.5Å; L58-Y90 WeakPolarHBondContact CD1-O 3.41Å; N59-Y90 PolarHBondContact N-O 3.02Å; L62-Y90 HydrophobicContact CD2-CD1 4.11Å; L62-Y90 HydrophobicContact CD2-CD2 3.58Å; L62-Y90 HydrophobicContact CD2-CE2 4.32Å; L62-Y90 HydrophobicContact CD2-CG 3.47Å; L62-Y90 VanDerWaalsContact CD2-CG 3.47Å; I63-Y90 HydrophobicContact CD1-CD2 4.12Å; I63-Y90 HydrophobicContact CD1-CE2 3.77Å; N88-Y90 PolarHBondContact OD1-N 3.37Å; Y90-L105 CarbonylContact C-O 3.57Å; Y90-L105 WeakPolarHBondContact CA-O 3.31Å; Y90-R209 WeakPolarHBondContact OH-CA 3.18Å; Y90-R209 PolarHBondContact OH-O 3.43Å; Y90-L212 HydrophobicContact CE1-CB 3.77Å; Y90-L212 HydrophobicContact CE2-CB 4.01Å; Y90-L212 HydrophobicContact CE2-CD1 4.13Å; Y90-L212 VanDerWaalsContact CZ-CB 3.46Å; Y90-L212 WeakPolarHBondContact OH-CB 3.4Å; Y90-E213 HydrophobicContact CD1-CG 4.24Å; Y90-E213 HydrophobicContact CE1-CG 3.67Å; Y90-N216 HydrophobicContact CD1-CB 4.39Å |
| 91 | Y | 97.3 | Very high | 87 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.6 | -171.3 | -69.2 | -95.1 | 0 | 0 | 0 | 110.6 | T26 F38 C41 V56 Q57 L58 C89 A104 L105 T107 N216 | T26-Y91 VanDerWaalsContact CB-OH 3.28Å; T26-Y91 WeakPolarHBondContact CB-OH 3.44Å; T26-Y91 HydrophobicContact CG2-CE2 4.29Å; T26-Y91 PolarHBondContact OG1-OH 2.88Å; F38-Y91 VanDerWaalsContact O-CE1 3.22Å; F38-Y91 WeakPolarHBondContact O-CE1 3.5Å; F38-Y91 PolarHBondContact O-OH 2.71Å; C41-Y91 HydrophobicContact CB-CE1 4.22Å; V56-Y91 HydrophobicContact CB-CD1 4.44Å; V56-Y91 HydrophobicContact CG2-CD1 3.84Å; V56-Y91 HydrophobicContact CG2-CG 4.01Å; Q57-Y91 VanDerWaalsContact C-CD1 3.47Å; Q57-Y91 CarbonylContact O-C 3.54Å; Q57-Y91 WeakPolarHBondContact O-CA 2.88Å; L58-Y91 HydrophobicContact CB-CD1 4.24Å; L58-Y91 HydrophobicContact CB-CE1 3.94Å; L58-Y91 HydrophobicContact CD1-CD1 4.3Å; L58-Y91 HydrophobicContact CD1-CD2 4.23Å; L58-Y91 HydrophobicContact CD1-CE1 3.81Å; L58-Y91 HydrophobicContact CD1-CE2 3.75Å; L58-Y91 HydrophobicContact CD1-CG 4.48Å; C89-Y91 WeakPolarHBondContact O-CD2 3.35Å; Y91-A104 CarbonylContact O-C 3.56Å; Y91-A104 WeakPolarHBondContact O-CA 3.22Å; Y91-L105 PolarHBondContact N-O 3.36Å; Y91-L105 PolarHBondContact O-N 2.02Å; Y91-T107 HydrophobicContact CD2-CG2 3.92Å; Y91-T107 HydrophobicContact CE2-CG2 3.94Å; Y91-T107 WeakPolarHBondContact CE2-OG1 3.03Å; Y91-N216 PolarHBondContact O-ND2 2.78Å |
| 92 | Q | 97.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.3 | 172.8 | -69 | 169.2 | -14.7 | 0 | 0 | 110.6 | V56 Q57 N59 V103 N216 D219 L220 | V56-Q92 CarbonylContact C-O 3.58Å; V56-Q92 WeakPolarHBondContact CA-O 3.3Å; V56-Q92 WeakPolarHBondContact CB-O 3.24Å; Q57-Q92 PolarHBondContact N-O 3.17Å; Q57-Q92 PolarHBondContact O-N 3.17Å; N59-Q92 PolarHBondContact ND2-NE2 3.16Å; Q92-V103 CarbonylContact C-O 3.54Å; Q92-V103 WeakPolarHBondContact CA-O 3.49Å; Q92-N216 WeakPolarHBondContact CG-OD1 3.27Å; Q92-N216 PolarHBondContact NE2-O 2.94Å; Q92-N216 PolarHBondContact NE2-OD1 2.75Å; Q92-D219 PolarHBondContact NE2-OD2 3.48Å; Q92-D219 PolarHBondContact OE1-OD2 2.81Å; Q92-L220 HydrophobicContact CB-CD1 4.38Å; Q92-L220 HydrophobicContact CG-CB 4.34Å; Q92-L220 HydrophobicContact CG-CD1 4.44Å |
| 93 | G | 96.2 | Very high | 88.9 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -143.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H55 Q102 V103 | H55-G93 WeakPolarHBondContact O-CA 3.11Å; G93-Q102 CarbonylContact O-C 3.35Å; G93-V103 PolarHBondContact N-O 2.97Å; G93-V103 WeakPolarHBondContact O-CB 3.26Å; G93-V103 PolarHBondContact O-N 2.85Å |
| 94 | Q | 96.3 | Very high | 90.6 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.5 | -165.2 | -54.3 | 179.8 | -18.8 | 0 | 0 | 111.7 | H55 A99 S101 | H55-Q94 PolarHBondContact N-O 3.26Å; H55-Q94 PolarHBondContact O-N 2.89Å; Q94-A99 PolarHBondContact NE2-O 3.47Å; Q94-A99 VanDerWaalsContact NE2-O 3.08Å; Q94-S101 WeakPolarHBondContact CG-O 3.24Å |
| 95 | V | 96.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.7 | 165.4 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | F52 R53 L54 G97 H98 S101 V103 I115 F117 | F52-V95 HydrophobicContact CD1-CG1 4.26Å; F52-V95 HydrophobicContact CD1-CG2 4.18Å; R53-V95 CarbonylContact O-C 3.56Å; R53-V95 WeakPolarHBondContact O-CA 3.45Å; L54-V95 HydrophobicContact CD2-CG2 3.97Å; V95-G97 PolarHBondContact O-N 2.94Å; V95-H98 HydrophobicContact CB-CB 4.48Å; V95-H98 PolarHBondContact O-N 3.47Å; V95-S101 WeakPolarHBondContact CB-OG 3.3Å; V95-S101 PolarHBondContact N-OG 2.89Å; V95-V103 HydrophobicContact CG2-CG2 4.17Å; V95-I115 HydrophobicContact CG2-CG2 3.88Å; V95-F117 HydrophobicContact CB-CD2 3.94Å; V95-F117 HydrophobicContact CB-CE2 4.14Å; V95-F117 HydrophobicContact CG1-CD2 4.14Å; V95-F117 HydrophobicContact CG1-CE2 3.95Å; V95-F117 HydrophobicContact CG2-CB 4.4Å; V95-F117 HydrophobicContact CG2-CD2 3.79Å; V95-F117 HydrophobicContact CG2-CE2 4.43Å; V95-F117 HydrophobicContact CG2-CG 4.32Å |
| 96 | H | 95.3 | Very high | 93.3 | Very high | 104 Ų | 104 | 35.7 Ų | 35.7 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 122.7 | -179.9 | 177.6 | -89.7 | 0 | 0 | 0 | 111.9 | R53 H55 H98 | R53-H96 HydrophobicContact CB-CB 3.83Å; R53-H96 HydrophobicContact CG-CB 3.91Å; R53-H96 WeakPolarHBondContact O-CB 3.47Å; R53-H96 PolarHBondContact O-N 3.42Å; H55-H96 AromaticContact CD2-CD2 3.72Å; H55-H96 AromaticContact NE2-CD2 3.2Å; H55-H96 PolarHBondContact NE2-CD2 3.4Å; H55-H96 AromaticContact NE2-CG 3.71Å; H96-H98 VanDerWaalsContact C-N 3.35Å; H96-H98 PolarHBondContact O-CD2 3.04Å |
| 97 | G | 93.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 75% | 0.753 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 1.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V95 | V95-G97 PolarHBondContact O-N 2.94Š|
| 98 | H | 93.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 33 Ų | 33 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 91.9 | -178.1 | -61.1 | -102.3 | 0 | 0 | 0 | 110.9 | V95 H96 D100 S101 F117 | V95-H98 HydrophobicContact CB-CB 4.48Å; V95-H98 PolarHBondContact O-N 3.47Å; H96-H98 VanDerWaalsContact C-N 3.35Å; H96-H98 PolarHBondContact O-CD2 3.04Å; H98-D100 VanDerWaalsContact C-N 3.27Å; H98-D100 PolarHBondContact O-N 2.82Å; H98-S101 WeakPolarHBondContact O-CB 3.34Å; H98-S101 PolarHBondContact O-N 2.74Å; H98-S101 PolarHBondContact O-OG 3.29Å; H98-F117 HydrophobicContact CB-CD2 4.39Å; H98-F117 HydrophobicContact CB-CE2 3.87Å; H98-F117 AromaticContact CD2-CE2 3.54Å; H98-F117 AromaticContact CE1-CE2 3.66Å; H98-F117 AromaticContact CE1-CZ 3.62Å; H98-F117 AromaticContact CG-CE2 3.43Å; H98-F117 VanDerWaalsContact CG-CE2 3.43Å; H98-F117 AromaticContact ND1-CE2 3.51Å; H98-F117 AromaticContact ND1-CZ 3.93Å; H98-F117 AromaticContact NE2-CE2 3.7Å; H98-F117 AromaticContact NE2-CZ 3.69Å |
| 99 | A | 87.8 | Confident | 94.1 | Very high | 70 Ų | 70 | 36.8 Ų | 36.8 | 58% | 0.579 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -29.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q94 S101 | Q94-A99 PolarHBondContact NE2-O 3.47Å; Q94-A99 VanDerWaalsContact NE2-O 3.08Å; A99-S101 VanDerWaalsContact C-N 3.25Å; A99-S101 PolarHBondContact O-N 3.44Å |
| 100 | D | 87.7 | Confident | 94 | Very high | 136 Ų | 136 | 36.7 Ų | 36.7 | 73% | 0.727 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -4.5 | -179.3 | -55.6 | -39 | 0 | 0 | 0 | 113.7 | H98 | H98-D100 VanDerWaalsContact C-N 3.27Å; H98-D100 PolarHBondContact O-N 2.82Å |
| 101 | S | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 148.4 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | Q94 V95 H98 A99 I116 | Q94-S101 WeakPolarHBondContact CG-O 3.24Å; V95-S101 WeakPolarHBondContact CB-OG 3.3Å; V95-S101 PolarHBondContact N-OG 2.89Å; H98-S101 WeakPolarHBondContact O-CB 3.34Å; H98-S101 PolarHBondContact O-N 2.74Å; H98-S101 PolarHBondContact O-OG 3.29Å; A99-S101 VanDerWaalsContact C-N 3.25Å; A99-S101 PolarHBondContact O-N 3.44Å; S101-I116 VanDerWaalsContact CA-O 3.3Å; S101-I116 WeakPolarHBondContact CA-O 3.47Å; S101-I116 WeakPolarHBondContact CB-O 3.29Å |
| 102 | Q | 94.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.5 | -178 | -68.8 | 177.9 | 0.6 | 0 | 0 | 109.8 | G93 I115 I116 L220 | G93-Q102 CarbonylContact O-C 3.35Å; Q102-I115 CarbonylContact O-C 3.5Å; Q102-I115 WeakPolarHBondContact O-CA 3.28Å; Q102-I116 HydrophobicContact CB-CB 4.15Å; Q102-I116 HydrophobicContact CB-CD1 4.28Å; Q102-I116 PolarHBondContact N-O 2.78Å; Q102-I116 PolarHBondContact O-N 2.94Å; Q102-L220 HydrophobicContact CB-CD2 3.93Å; Q102-L220 HydrophobicContact CB-CG 4.38Å |
| 103 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.5 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | L54 V56 Q92 G93 V95 L105 S114 I115 L220 | L54-V103 HydrophobicContact CD1-CG1 4.12Å; L54-V103 HydrophobicContact CD2-CG2 4.03Å; V56-V103 HydrophobicContact CG1-CB 4.24Å; V56-V103 HydrophobicContact CG1-CG1 3.72Å; Q92-V103 CarbonylContact C-O 3.54Å; Q92-V103 WeakPolarHBondContact CA-O 3.49Å; G93-V103 PolarHBondContact N-O 2.97Å; G93-V103 WeakPolarHBondContact O-CB 3.26Å; G93-V103 PolarHBondContact O-N 2.85Å; V95-V103 HydrophobicContact CG2-CG2 4.17Å; V103-L105 HydrophobicContact CG1-CD1 3.62Å; V103-L105 HydrophobicContact CG1-CD2 4.11Å; V103-L105 HydrophobicContact CG1-CG 3.61Å; V103-S114 WeakPolarHBondContact CA-O 3.5Å; V103-I115 HydrophobicContact CG1-CG1 4.33Å; V103-I115 HydrophobicContact CG2-CG1 4.27Å; V103-I115 HydrophobicContact CG2-CG2 4.23Å; V103-L220 WeakPolarHBondContact O-CD2 3.18Å |
| 104 | A | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y91 G113 S114 I217 L220 | Y91-A104 CarbonylContact O-C 3.56Å; Y91-A104 WeakPolarHBondContact O-CA 3.22Å; A104-G113 CarbonylContact O-C 3.5Å; A104-G113 WeakPolarHBondContact O-CA 3.34Å; A104-S114 PolarHBondContact N-O 2.67Å; A104-S114 PolarHBondContact O-N 2.71Å; A104-I217 HydrophobicContact CB-CG1 3.76Å; A104-L220 HydrophobicContact CB-CD2 3.84Å |
| 105 | L | 97.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.7 | -173.4 | -57.5 | 168.4 | 0 | 0 | 0 | 111.6 | F43 L54 V56 Y90 Y91 V103 L111 R112 I124 N216 | F43-L105 HydrophobicContact CD2-CD1 4.2Å; F43-L105 HydrophobicContact CE2-CD1 4.48Å; L54-L105 HydrophobicContact CD1-CD1 3.86Å; V56-L105 HydrophobicContact CG1-CD1 3.9Å; V56-L105 HydrophobicContact CG2-CD1 4.4Å; Y90-L105 CarbonylContact C-O 3.57Å; Y90-L105 WeakPolarHBondContact CA-O 3.31Å; Y91-L105 PolarHBondContact N-O 3.36Å; Y91-L105 PolarHBondContact O-N 2.02Å; V103-L105 HydrophobicContact CG1-CD1 3.62Å; V103-L105 HydrophobicContact CG1-CD2 4.11Å; V103-L105 HydrophobicContact CG1-CG 3.61Å; L105-L111 HydrophobicContact CB-CD1 4.32Å; L105-L111 HydrophobicContact CD1-CD1 4.02Å; L105-L111 HydrophobicContact CD2-CD1 4.36Å; L105-L111 HydrophobicContact CD2-CG 4.31Å; L105-L111 HydrophobicContact CG-CD1 4.46Å; L105-R112 CarbonylContact C-O 3.58Å; L105-R112 VanDerWaalsContact CA-O 3.26Å; L105-R112 WeakPolarHBondContact CA-O 3.42Å; L105-I124 HydrophobicContact CD2-CD1 3.93Å; L105-N216 PolarHBondContact O-ND2 2.85Å |
| 106 | S | 95 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.8 | 163.7 | 159.2 | 0 | 0 | 0 | 0 | 107.3 | C89 C108 L111 R112 E213 | C89-S106 WeakPolarHBondContact O-CA 3.41Å; S106-C108 PolarHBondContact OG-SG 2.8Å; S106-L111 WeakPolarHBondContact O-CA 3.13Å; S106-R112 PolarHBondContact N-O 2.8Å; S106-R112 PolarHBondContact O-N 2.9Å; S106-E213 VanDerWaalsContact CB-OE1 3.3Å; S106-E213 WeakPolarHBondContact CB-OE1 3.29Å; S106-E213 PolarHBondContact OG-OE1 2.78Å |
| 107 | T | 93.7 | Very high | 93 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | -112.6 | 7 | 177.5 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | T26 F43 C89 Y91 F109 G110 L111 | T26-T107 HydrophobicContact CG2-CG2 3.77Å; T26-T107 PolarHBondContact OG1-OG1 3.28Å; F43-T107 HydrophobicContact CE2-CG2 4.36Å; F43-T107 HydrophobicContact CZ-CG2 3.86Å; C89-T107 PolarHBondContact O-N 2.9Å; C89-T107 PolarHBondContact O-OG1 3Å; Y91-T107 HydrophobicContact CD2-CG2 3.92Å; Y91-T107 HydrophobicContact CE2-CG2 3.94Å; Y91-T107 WeakPolarHBondContact CE2-OG1 3.03Å; T107-F109 VanDerWaalsContact C-N 3.33Å; T107-F109 PolarHBondContact O-N 3.22Å; T107-G110 CarbonylContact C-O 3.6Å; T107-G110 WeakPolarHBondContact CA-O 3.37Å; T107-L111 HydrophobicContact CG2-CD1 3.85Å | ||
| 108 | C | 89.1 | Confident | 92.5 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -40.4 | -171.7 | -51 | 0 | 0 | 0 | 0 | 113.1 | C89 S106 | C89-C108 HydrophobicContact CB-CB 4.08Å; C89-C108 WeakPolarHBondContact CB-SG 3.41Å; C89-C108 WeakPolarHBondContact SG-CA 3.46Å; C89-C108 WeakPolarHBondContact SG-CB 3.42Å; C89-C108 CovalentContact SG-SG 2.02Å; C89-C108 PolarHBondContact SG-SG 2.79Å; S106-C108 PolarHBondContact OG-SG 2.8Å |
| 109 | F | 86 | Confident | 91.9 | Very high | 117 Ų | 117 | 31.1 Ų | 31.1 | 51% | 0.513 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 50.7 | 178.7 | -65.1 | -75.2 | 0 | 0 | 0 | 111.3 | T107 | T107-F109 VanDerWaalsContact C-N 3.33Å; T107-F109 PolarHBondContact O-N 3.22Å |
| 110 | G | 90.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 92.1 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I24 T107 R112 | I24-G110 VanDerWaalsContact CD1-CA 3.47Å; T107-G110 CarbonylContact C-O 3.6Å; T107-G110 WeakPolarHBondContact CA-O 3.37Å; G110-R112 PolarHBondContact O-N 2.84Å |
| 111 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -79.8 | 107 | -173 | -160 | 68.4 | 0 | 0 | 0 | 110.9 | P13 I24 F43 L45 L105 S106 T107 I124 H138 | P13-L111 HydrophobicContact CB-CD2 3.61Å; P13-L111 HydrophobicContact CG-CB 4.42Å; P13-L111 HydrophobicContact CG-CD2 3.91Å; I24-L111 HydrophobicContact CD1-CB 4.47Å; F43-L111 HydrophobicContact CD1-CD1 4.27Å; F43-L111 HydrophobicContact CD1-CD2 4.33Å; F43-L111 HydrophobicContact CD2-CD1 4.34Å; F43-L111 HydrophobicContact CE1-CD1 4.05Å; F43-L111 HydrophobicContact CE2-CD1 4.13Å; F43-L111 HydrophobicContact CG-CD1 4.4Å; F43-L111 HydrophobicContact CG-CD2 4.38Å; F43-L111 HydrophobicContact CZ-CD1 3.97Å; L45-L111 HydrophobicContact CD2-CD2 3.89Å; L105-L111 HydrophobicContact CB-CD1 4.32Å; L105-L111 HydrophobicContact CD1-CD1 4.02Å; L105-L111 HydrophobicContact CD2-CD1 4.36Å; L105-L111 HydrophobicContact CD2-CG 4.31Å; L105-L111 HydrophobicContact CG-CD1 4.46Å; S106-L111 WeakPolarHBondContact O-CA 3.13Å; T107-L111 HydrophobicContact CG2-CD1 3.85Å; L111-I124 HydrophobicContact CD2-CD1 4.21Å; L111-I124 WeakPolarHBondContact O-CG2 3.45Å; L111-H138 PolarHBondContact N-NE2 2.88Å; L111-H138 VanDerWaalsContact N-NE2 3.12Å; L111-H138 PolarHBondContact O-CD2 2.68Å | ||
| 112 | R | 94.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 23 Ų | 23 | 17% | 0.166 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.9 | 175.6 | -176.2 | 176 | -89.7 | -95.5 | 1.2 | 109.4 | L105 S106 G110 I124 P126 E213 F307 | L105-R112 CarbonylContact C-O 3.58Å; L105-R112 VanDerWaalsContact CA-O 3.26Å; L105-R112 WeakPolarHBondContact CA-O 3.42Å; S106-R112 PolarHBondContact N-O 2.8Å; S106-R112 PolarHBondContact O-N 2.9Å; G110-R112 PolarHBondContact O-N 2.84Å; R112-I124 WeakPolarHBondContact CA-O 3.34Å; R112-P126 HydrophobicContact CB-CG 4.04Å; R112-E213 WeakPolarHBondContact CD-OE2 3.35Å; R112-F307 PolarHBondContact NH1-O 3.39Å |
| 113 | G | 95.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 10% | 0.103 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152 | -156.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A104 L123 I124 | A104-G113 CarbonylContact O-C 3.5Å; A104-G113 WeakPolarHBondContact O-CA 3.34Å; G113-L123 WeakPolarHBondContact O-CA 3.37Å; G113-I124 PolarHBondContact N-O 3.35Å; G113-I124 PolarHBondContact O-N 2.83Å |
| 114 | S | 95.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146 | -175 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | V103 A104 F122 F310 | V103-S114 WeakPolarHBondContact CA-O 3.5Å; A104-S114 PolarHBondContact N-O 2.67Å; A104-S114 PolarHBondContact O-N 2.71Å; S114-F122 CarbonylContact C-O 3.56Å; S114-F122 VanDerWaalsContact CA-O 3.27Å; S114-F122 WeakPolarHBondContact CA-O 3.25Å; S114-F310 WeakPolarHBondContact OG-CD2 3.48Å |
| 115 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121 | 173 | -59.7 | 163.6 | 0 | 0 | 0 | 108 | L45 F52 L54 V95 Q102 V103 F117 T121 F122 I124 F140 | L45-I115 HydrophobicContact CD1-CD1 3.57Å; F52-I115 HydrophobicContact CD1-CG2 4.41Å; F52-I115 HydrophobicContact CE1-CG2 4.44Å; L54-I115 HydrophobicContact CD1-CD1 3.89Å; L54-I115 HydrophobicContact CD1-CG1 4.35Å; L54-I115 HydrophobicContact CD2-CD1 3.83Å; L54-I115 HydrophobicContact CD2-CG1 4.25Å; L54-I115 HydrophobicContact CG-CD1 4.5Å; V95-I115 HydrophobicContact CG2-CG2 3.88Å; Q102-I115 CarbonylContact O-C 3.5Å; Q102-I115 WeakPolarHBondContact O-CA 3.28Å; V103-I115 HydrophobicContact CG1-CG1 4.33Å; V103-I115 HydrophobicContact CG2-CG1 4.27Å; V103-I115 HydrophobicContact CG2-CG2 4.23Å; I115-F117 HydrophobicContact CG2-CB 3.97Å; I115-T121 WeakPolarHBondContact O-CA 3.44Å; I115-F122 HydrophobicContact CB-CB 4.33Å; I115-F122 PolarHBondContact N-O 3.25Å; I115-F122 PolarHBondContact O-N 2.73Å; I115-I124 HydrophobicContact CD1-CD1 3.85Å; I115-I124 HydrophobicContact CD1-CG1 4.45Å; I115-I124 HydrophobicContact CG1-CD1 4.41Å; I115-F140 HydrophobicContact CD1-CE2 4.3Å |
| 116 | I | 92 | Very high | 91.2 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.9 | 170.9 | -56.5 | 176.3 | 0 | 0 | 0 | 107.2 | S101 Q102 N120 F310 I360 | S101-I116 VanDerWaalsContact CA-O 3.3Å; S101-I116 WeakPolarHBondContact CA-O 3.47Å; S101-I116 WeakPolarHBondContact CB-O 3.29Å; Q102-I116 HydrophobicContact CB-CB 4.15Å; Q102-I116 HydrophobicContact CB-CD1 4.28Å; Q102-I116 PolarHBondContact N-O 2.78Å; Q102-I116 PolarHBondContact O-N 2.94Å; I116-N120 WeakPolarHBondContact CA-O 3.5Å; I116-F310 HydrophobicContact CD1-CE2 4.35Å; I116-F310 HydrophobicContact CD1-CZ 4.5Å; I116-I360 HydrophobicContact CG2-CB 4.39Å; I116-I360 HydrophobicContact CG2-CD1 3.76Å; I116-I360 HydrophobicContact CG2-CG1 3.76Å; I116-I360 HydrophobicContact CG2-CG2 4.02Å |
| 117 | F | 90.5 | Very high | 91 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 134.3 | -173.9 | -178.9 | -102.6 | 0 | 0 | 0 | 111 | F52 V95 H98 I115 N119 N120 F122 | F52-F117 HydrophobicContact CD1-CD1 4.48Å; F52-F117 HydrophobicContact CE1-CB 4.1Å; F52-F117 AromaticContact CE1-CD1 3.52Å; F52-F117 HydrophobicContact CE1-CD1 3.52Å; F52-F117 HydrophobicContact CE1-CE1 4.07Å; F52-F117 AromaticContact CE1-CG 3.84Å; F52-F117 HydrophobicContact CE1-CG 3.84Å; F52-F117 HydrophobicContact CZ-CD1 4.16Å; V95-F117 HydrophobicContact CB-CD2 3.94Å; V95-F117 HydrophobicContact CB-CE2 4.14Å; V95-F117 HydrophobicContact CG1-CD2 4.14Å; V95-F117 HydrophobicContact CG1-CE2 3.95Å; V95-F117 HydrophobicContact CG2-CB 4.4Å; V95-F117 HydrophobicContact CG2-CD2 3.79Å; V95-F117 HydrophobicContact CG2-CE2 4.43Å; V95-F117 HydrophobicContact CG2-CG 4.32Å; H98-F117 HydrophobicContact CB-CD2 4.39Å; H98-F117 HydrophobicContact CB-CE2 3.87Å; H98-F117 AromaticContact CD2-CE2 3.54Å; H98-F117 AromaticContact CE1-CE2 3.66Å; H98-F117 AromaticContact CE1-CZ 3.62Å; H98-F117 AromaticContact CG-CE2 3.43Å; H98-F117 VanDerWaalsContact CG-CE2 3.43Å; H98-F117 AromaticContact ND1-CE2 3.51Å; H98-F117 AromaticContact ND1-CZ 3.93Å; H98-F117 AromaticContact NE2-CE2 3.7Å; H98-F117 AromaticContact NE2-CZ 3.69Å; I115-F117 HydrophobicContact CG2-CB 3.97Å; F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3Å; F117-N120 PolarHBondContact N-O 3.08Å; F117-N120 PolarHBondContact O-N 3.16Å; F117-F122 HydrophobicContact CB-CE2 4.37Å |
| 118 | E | 83.6 | Confident | 90.5 | Very high | 129 Ų | 129 | 38.1 Ų | 38.1 | 60% | 0.603 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 53.7 | 176.6 | -70 | -178.2 | 174.1 | 0 | 0 | 113.5 | N120 | E118-N120 PolarHBondContact O-N 3.02Å; E118-N120 PolarHBondContact O-ND2 3.34Å |
| 119 | N | 79.6 | Confident | 89.9 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 9 | -179.4 | -59.7 | -44.6 | 0 | 0 | 0 | 116.8 | F117 R358 I360 | F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3Å; N119-R358 HydrophobicContact CB-CB 4.46Å; N119-R358 HydrophobicContact CB-CG 3.97Å; N119-R358 PolarHBondContact ND2-NE 2.76Å; N119-R358 PolarHBondContact ND2-NH2 3.16Å; N119-I360 VanDerWaalsContact CA-CD1 3.49Å |
| 120 | N | 86.3 | Confident | 89.3 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.8 | 178.5 | -63.3 | -82.1 | 0 | 0 | 0 | 110.8 | I116 F117 E118 F122 R142 | I116-N120 WeakPolarHBondContact CA-O 3.5Å; F117-N120 PolarHBondContact N-O 3.08Å; F117-N120 PolarHBondContact O-N 3.16Å; E118-N120 PolarHBondContact O-N 3.02Å; E118-N120 PolarHBondContact O-ND2 3.34Å; N120-F122 HydrophobicContact CB-CD2 4.24Å; N120-F122 HydrophobicContact CB-CE1 4.31Å; N120-F122 HydrophobicContact CB-CE2 3.54Å; N120-F122 HydrophobicContact CB-CZ 3.58Å; N120-R142 WeakPolarHBondContact OD1-CD 3.28Å; N120-R142 PolarHBondContact OD1-NH1 2.81Å |
| 121 | T | 89.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.4 | 167.3 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | I115 L123 M143 F310 K359 | I115-T121 WeakPolarHBondContact O-CA 3.44Å; T121-L123 HydrophobicContact CG2-CD2 4.22Å; T121-M143 HydrophobicContact CG2-CB 4.39Å; T121-M143 HydrophobicContact CG2-CE 3.87Å; T121-M143 HydrophobicContact CG2-SD 4.21Å; T121-M143 WeakPolarHBondContact O-CB 3.3Å; T121-M143 PolarHBondContact O-N 2.9Å; T121-F310 HydrophobicContact CG2-CD1 4.39Å; T121-F310 HydrophobicContact CG2-CD2 4.34Å; T121-F310 HydrophobicContact CG2-CE1 4.01Å; T121-F310 HydrophobicContact CG2-CE2 3.94Å; T121-F310 HydrophobicContact CG2-CZ 3.76Å; T121-K359 PolarHBondContact OG1-O 3.39Å |
| 122 | F | 92.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144.9 | 175.6 | -56.9 | -82 | 0 | 0 | 0 | 110.2 | Y49 F52 S114 I115 F117 N120 F140 M141 R142 | Y49-F122 AromaticContact CD1-CE1 3.78Å; Y49-F122 HydrophobicContact CD1-CE1 3.78Å; Y49-F122 HydrophobicContact CD1-CZ 4.01Å; Y49-F122 HydrophobicContact CD2-CD1 4.41Å; Y49-F122 AromaticContact CD2-CE1 3.75Å; Y49-F122 HydrophobicContact CD2-CE1 3.75Å; Y49-F122 HydrophobicContact CE1-CE1 4.03Å; Y49-F122 AromaticContact CE2-CE1 3.97Å; Y49-F122 HydrophobicContact CE2-CE1 3.97Å; Y49-F122 AromaticContact CG-CE1 3.63Å; Y49-F122 HydrophobicContact CG-CE1 3.63Å; Y49-F122 HydrophobicContact CG-CZ 4.02Å; F52-F122 HydrophobicContact CE1-CD2 4.45Å; F52-F122 HydrophobicContact CE1-CE2 4.29Å; F52-F122 HydrophobicContact CZ-CD2 4.21Å; F52-F122 AromaticContact CZ-CE2 3.9Å; F52-F122 HydrophobicContact CZ-CE2 3.9Å; F52-F122 HydrophobicContact CZ-CZ 4.25Å; S114-F122 CarbonylContact C-O 3.56Å; S114-F122 VanDerWaalsContact CA-O 3.27Å; S114-F122 WeakPolarHBondContact CA-O 3.25Å; I115-F122 HydrophobicContact CB-CB 4.33Å; I115-F122 PolarHBondContact N-O 3.25Å; I115-F122 PolarHBondContact O-N 2.73Å; F117-F122 HydrophobicContact CB-CE2 4.37Å; N120-F122 HydrophobicContact CB-CD2 4.24Å; N120-F122 HydrophobicContact CB-CE1 4.31Å; N120-F122 HydrophobicContact CB-CE2 3.54Å; N120-F122 HydrophobicContact CB-CZ 3.58Å; F122-F140 HydrophobicContact CB-CE1 4.27Å; F122-F140 HydrophobicContact CB-CE2 3.76Å; F122-F140 HydrophobicContact CB-CZ 3.51Å; F122-F140 AromaticContact CD1-CE1 3.5Å; F122-F140 HydrophobicContact CD1-CE1 3.5Å; F122-F140 VanDerWaalsContact CD1-CE1 3.5Å; F122-F140 HydrophobicContact CD1-CE2 4.47Å; F122-F140 AromaticContact CD1-CZ 3.45Å; F122-F140 HydrophobicContact CD1-CZ 3.45Å; F122-F140 VanDerWaalsContact CD1-CZ 3.45Å; F122-F140 HydrophobicContact CD2-CZ 4.29Å; F122-F140 HydrophobicContact CE1-CE1 4.06Å; F122-F140 HydrophobicContact CE1-CZ 4.21Å; F122-F140 HydrophobicContact CG-CE1 4.05Å; F122-F140 HydrophobicContact CG-CE2 4.25Å; F122-F140 AromaticContact CG-CZ 3.49Å; F122-F140 HydrophobicContact CG-CZ 3.49Å; F122-F140 VanDerWaalsContact CG-CZ 3.49Å; F122-M141 CarbonylContact C-O 3.57Å; F122-M141 WeakPolarHBondContact CA-O 3.46Å; F122-R142 HydrophobicContact CD1-CB 4.11Å; F122-R142 HydrophobicContact CD1-CG 4.48Å; F122-R142 HydrophobicContact CE1-CB 4.14Å; F122-R142 HydrophobicContact CE1-CG 4.33Å |
| 123 | L | 93.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.4 | -178.4 | -56.1 | 176.1 | 0 | 0 | 0 | 109.6 | G113 T121 F140 M141 M143 Q308 F310 | G113-L123 WeakPolarHBondContact O-CA 3.37Å; T121-L123 HydrophobicContact CG2-CD2 4.22Å; L123-F140 WeakPolarHBondContact O-CA 3.29Å; L123-M141 HydrophobicContact CB-CG 4Å; L123-M141 PolarHBondContact N-O 3.12Å; L123-M141 PolarHBondContact O-N 3.33Å; L123-M141 VanDerWaalsContact O-N 3.14Å; L123-M143 HydrophobicContact CD1-CB 4.1Å; L123-M143 HydrophobicContact CD1-CG 4.17Å; L123-M143 HydrophobicContact CD1-SD 4.36Å; L123-M143 HydrophobicContact CG-CB 4.39Å; L123-Q308 HydrophobicContact CD1-CG 4.19Å; L123-Q308 VanDerWaalsContact CD1-NE2 3.31Å; L123-F310 HydrophobicContact CD2-CB 3.9Å; L123-F310 HydrophobicContact CD2-CD2 4.48Å; L123-F310 HydrophobicContact CD2-CG 4.15Å |
| 124 | I | 94.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.5 | 177.5 | -45.2 | 176.2 | 0 | 0 | 0 | 108.1 | L45 L105 L111 R112 G113 I115 H138 L139 F140 | L45-I124 HydrophobicContact CD1-CD1 3.58Å; L45-I124 HydrophobicContact CD1-CG1 4.45Å; L105-I124 HydrophobicContact CD2-CD1 3.93Å; L111-I124 HydrophobicContact CD2-CD1 4.21Å; L111-I124 WeakPolarHBondContact O-CG2 3.45Å; R112-I124 WeakPolarHBondContact CA-O 3.34Å; G113-I124 PolarHBondContact N-O 3.35Å; G113-I124 PolarHBondContact O-N 2.83Å; I115-I124 HydrophobicContact CD1-CD1 3.85Å; I115-I124 HydrophobicContact CD1-CG1 4.45Å; I115-I124 HydrophobicContact CG1-CD1 4.41Å; I124-H138 HydrophobicContact CG2-CB 3.99Å; I124-L139 WeakPolarHBondContact CA-O 3.3Å; I124-F140 HydrophobicContact CG1-CD2 4.17Å; I124-F140 HydrophobicContact CG1-CE2 4.48Å |
| 125 | V | 93.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 116.9 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | H138 L139 | V125-H138 CarbonylContact O-C 3.47Å; V125-H138 WeakPolarHBondContact O-CA 2.93Å; V125-L139 HydrophobicContact CB-CB 4.31Å; V125-L139 PolarHBondContact N-O 3.25Å; V125-L139 PolarHBondContact O-N 2.89Å |
| 126 | P | 92.6 | Very high | 86.6 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.2 | 177.3 | 27.5 | -33.4 | 0 | 0 | 0 | 110.8 | R112 H138 | R112-P126 HydrophobicContact CB-CG 4.04Å; P126-H138 WeakPolarHBondContact CA-CD2 2.9Å |
| 127 | M | 90.3 | Very high | 86.6 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 145.2 | 169.1 | -64.6 | -170 | 67 | 0 | 0 | 110.4 | H136 P137 L139 | M127-H136 PolarHBondContact O-NE2 3.14Å; M127-P137 HydrophobicContact CB-CG 4.02Å; M127-P137 WeakPolarHBondContact CB-O 3.47Å; M127-P137 HydrophobicContact CG-CB 4.36Å; M127-P137 HydrophobicContact CG-CG 4.2Å; M127-P137 WeakPolarHBondContact CG-O 3.46Å; M127-P137 PolarHBondContact N-O 2.89Å; M127-P137 HydrophobicContact SD-CB 3.81Å; M127-P137 HydrophobicContact SD-CG 3.72Å; M127-L139 HydrophobicContact CG-CD2 4.49Å; M127-L139 HydrophobicContact CG-CG 4.42Å; M127-L139 HydrophobicContact SD-CD2 4.47Å |
| 128 | R | 83.4 | Confident | 86.8 | Confident | 235 Ų | 235 | 61.1 Ų | 61.1 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 145.8 | 175.8 | -73.5 | -176.2 | 175.5 | -173.6 | -2.8 | 110.8 | ||
| 129 | G | 76.1 | Confident | 87.3 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 11.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 130 | G | 73.2 | Confident | 88 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | trans | -80.6 | 158.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H136 | G130-H136 VanDerWaalsContact CA-CE1 3.49Å; G130-H136 WeakPolarHBondContact CA-CE1 3.21Å; G130-H136 WeakPolarHBondContact CA-ND1 3.38Å | ||
| 131 | N | 79.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | trans | -109.4 | 24.7 | -174.3 | 63.9 | -6.3 | 0 | 0 | 0 | 113.4 | T133 | N131-T133 HydrophobicContact CB-CG2 4.41Å; N131-T133 VanDerWaalsContact CG-CG2 3.41Å; N131-T133 WeakPolarHBondContact ND2-CG2 3.23Å; N131-T133 PolarHBondContact O-N 2.6Å; N131-T133 VanDerWaalsContact OD1-CB 3.28Å; N131-T133 WeakPolarHBondContact OD1-CB 3.47Å; N131-T133 VanDerWaalsContact OD1-CG2 3.24Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.42Å; N131-T133 PolarHBondContact OD1-N 3.35Å; N131-T133 PolarHBondContact OD1-OG1 3.48Å | ||
| 132 | L | 82.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 57.2 | 6.4 | -175.8 | -51.9 | 177.9 | 0 | 0 | 0 | 115.4 | G23 I24 D25 H136 | G23-L132 WeakPolarHBondContact CA-O 2.99Å; I24-L132 HydrophobicContact CD1-CD2 4.38Å; I24-L132 HydrophobicContact CG1-CB 4.22Å; I24-L132 HydrophobicContact CG1-CD2 4.2Å; I24-L132 WeakPolarHBondContact CG1-O 3.47Å; I24-L132 PolarHBondContact N-O 3.38Å; D25-L132 HydrophobicContact CB-CB 4.11Å; D25-L132 HydrophobicContact CB-CD1 4.35Å; L132-H136 PolarHBondContact N-ND1 3.07Å |
| 133 | T | 84.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 57 Ų | 57 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -77.9 | 175.3 | 175 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | N131 R135 H136 | N131-T133 HydrophobicContact CB-CG2 4.41Å; N131-T133 VanDerWaalsContact CG-CG2 3.41Å; N131-T133 WeakPolarHBondContact ND2-CG2 3.23Å; N131-T133 PolarHBondContact O-N 2.6Å; N131-T133 VanDerWaalsContact OD1-CB 3.28Å; N131-T133 WeakPolarHBondContact OD1-CB 3.47Å; N131-T133 VanDerWaalsContact OD1-CG2 3.24Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.42Å; N131-T133 PolarHBondContact OD1-N 3.35Å; N131-T133 PolarHBondContact OD1-OG1 3.48Å; T133-R135 PolarHBondContact O-N 3.1Å; T133-R135 PolarHBondContact OG1-N 2.65Å; T133-H136 WeakPolarHBondContact O-CB 3.4Å; T133-H136 PolarHBondContact O-N 2.71Å |
| 134 | R | 82.4 | Confident | 86.7 | Confident | 130 Ų | 130 | 61.1 Ų | 61.1 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -7.8 | 174.1 | -59.4 | -170.6 | -157.9 | 155 | 13.2 | 114.5 | R21 V22 | R21-R134 PolarHBondContact O-NE 3.42Å; R21-R134 VanDerWaalsContact O-NE 3.16Å; R21-R134 PolarHBondContact O-NH2 3.15Å; V22-R134 VanDerWaalsContact O-CG 3.23Å; V22-R134 WeakPolarHBondContact O-CG 3.28Å |
| 135 | R | 86.6 | Confident | 85.2 | Confident | 214 Ų | 214 | 63.6 Ų | 63.6 | 81% | 0.808 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -1.1 | 179.5 | -62.7 | -173.8 | 179.4 | -173.7 | 0.6 | 113.2 | Y12 T133 P137 | Y12-R135 WeakPolarHBondContact CE1-O 3.38Å; T133-R135 PolarHBondContact O-N 3.1Å; T133-R135 PolarHBondContact OG1-N 2.65Å; R135-P137 VanDerWaalsContact O-CD 3.24Å; R135-P137 WeakPolarHBondContact O-CD 2.79Å |
| 136 | H | 91 | Very high | 83.5 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.032 | 34% | 0.336 | C | S | . | . | trans | -66.8 | 118 | 175 | -167 | 151.3 | 0 | 0 | 0 | 108.6 | I24 M127 G130 L132 T133 H138 | I24-H136 HydrophobicContact CD1-CB 4.09Å; M127-H136 PolarHBondContact O-NE2 3.14Å; G130-H136 VanDerWaalsContact CA-CE1 3.49Å; G130-H136 WeakPolarHBondContact CA-CE1 3.21Å; G130-H136 WeakPolarHBondContact CA-ND1 3.38Å; L132-H136 PolarHBondContact N-ND1 3.07Å; T133-H136 WeakPolarHBondContact O-CB 3.4Å; T133-H136 PolarHBondContact O-N 2.71Å; H136-H138 AromaticContact CD2-CE1 3.6Å; H136-H138 AromaticContact CG-CE1 3.71Å; H136-H138 PolarHBondContact O-CE1 2.56Å; H136-H138 PolarHBondContact O-ND1 3.12Å; H136-H138 VanDerWaalsContact O-ND1 3.11Å | ||
| 137 | P | 93.8 | Very high | 81.9 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | trans | -83.1 | 144.9 | -179.8 | 29.3 | -27.5 | 0 | 0 | 0 | 112.6 | I10 Y12 M127 R135 | I10-P137 HydrophobicContact CG2-CB 3.74Å; Y12-P137 HydrophobicContact CD1-CB 4.48Å; Y12-P137 HydrophobicContact CE1-CB 3.82Å; M127-P137 HydrophobicContact CB-CG 4.02Å; M127-P137 WeakPolarHBondContact CB-O 3.47Å; M127-P137 HydrophobicContact CG-CB 4.36Å; M127-P137 HydrophobicContact CG-CG 4.2Å; M127-P137 WeakPolarHBondContact CG-O 3.46Å; M127-P137 PolarHBondContact N-O 2.89Å; M127-P137 HydrophobicContact SD-CB 3.81Å; M127-P137 HydrophobicContact SD-CG 3.72Å; R135-P137 VanDerWaalsContact O-CD 3.24Å; R135-P137 WeakPolarHBondContact O-CD 2.79Å | ||
| 138 | H | 94.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.2 | 178 | -62.3 | 69 | 0 | 0 | 0 | 109.9 | I10 I11 P13 I24 L111 I124 V125 P126 H136 | I10-H138 CarbonylContact C-O 3.57Å; I10-H138 WeakPolarHBondContact CA-O 3.36Å; I11-H138 HydrophobicContact CG1-CB 3.96Å; I11-H138 PolarHBondContact N-O 2.49Å; I11-H138 PolarHBondContact O-N 3.1Å; P13-H138 WeakPolarHBondContact CD-ND1 3Å; P13-H138 HydrophobicContact CG-CB 4.15Å; I24-H138 WeakPolarHBondContact CD1-CE1 3.31Å; L111-H138 PolarHBondContact N-NE2 2.88Å; L111-H138 VanDerWaalsContact N-NE2 3.12Å; L111-H138 PolarHBondContact O-CD2 2.68Å; I124-H138 HydrophobicContact CG2-CB 3.99Å; V125-H138 CarbonylContact O-C 3.47Å; V125-H138 WeakPolarHBondContact O-CA 2.93Å; P126-H138 WeakPolarHBondContact CA-CD2 2.9Å; H136-H138 AromaticContact CD2-CE1 3.6Å; H136-H138 AromaticContact CG-CE1 3.71Å; H136-H138 PolarHBondContact O-CE1 2.56Å; H136-H138 PolarHBondContact O-ND1 3.12Å; H136-H138 VanDerWaalsContact O-ND1 3.11Å |
| 139 | L | 93.7 | Very high | 79.9 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.5 | 167.4 | -52.9 | 177.4 | 0 | 0 | 0 | 108.4 | F8 I10 I124 V125 M127 M141 | F8-L139 HydrophobicContact CD2-CD2 3.64Å; F8-L139 HydrophobicContact CE2-CD2 3.79Å; I10-L139 HydrophobicContact CG1-CD2 4.09Å; I124-L139 WeakPolarHBondContact CA-O 3.3Å; V125-L139 HydrophobicContact CB-CB 4.31Å; V125-L139 PolarHBondContact N-O 3.25Å; V125-L139 PolarHBondContact O-N 2.89Å; M127-L139 HydrophobicContact CG-CD2 4.49Å; M127-L139 HydrophobicContact CG-CG 4.42Å; M127-L139 HydrophobicContact SD-CD2 4.47Å; L139-M141 HydrophobicContact CB-CE 3.8Å; L139-M141 HydrophobicContact CD1-CE 4.2Å |
| 140 | F | 94.1 | Very high | 80.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.3 | 170.4 | -173 | -96.2 | 0 | 0 | 0 | 108.5 | F8 E9 I11 L45 T47 Y49 F52 I115 F122 L123 I124 | F8-F140 WeakPolarHBondContact CA-O 3.39Å; E9-F140 HydrophobicContact CG-CB 3.98Å; E9-F140 HydrophobicContact CG-CD1 4.22Å; E9-F140 PolarHBondContact N-O 2.89Å; E9-F140 PolarHBondContact O-N 2.82Å; I11-F140 HydrophobicContact CD1-CB 3.79Å; I11-F140 HydrophobicContact CD1-CD2 3.87Å; I11-F140 HydrophobicContact CD1-CG 4.13Å; I11-F140 HydrophobicContact CG1-CB 3.96Å; I11-F140 HydrophobicContact CG2-CB 3.78Å; I11-F140 HydrophobicContact CG2-CG 4.47Å; L45-F140 HydrophobicContact CD1-CD2 4.44Å; L45-F140 HydrophobicContact CD1-CE2 4.18Å; T47-F140 HydrophobicContact CG2-CD1 3.85Å; T47-F140 HydrophobicContact CG2-CD2 4.14Å; T47-F140 HydrophobicContact CG2-CE1 3.77Å; T47-F140 HydrophobicContact CG2-CE2 4.05Å; T47-F140 HydrophobicContact CG2-CG 4.04Å; T47-F140 HydrophobicContact CG2-CZ 3.86Å; Y49-F140 HydrophobicContact CD2-CD1 4.33Å; Y49-F140 AromaticContact CD2-CE1 3.73Å; Y49-F140 HydrophobicContact CD2-CE1 3.73Å; Y49-F140 HydrophobicContact CE2-CE1 4.33Å; F52-F140 HydrophobicContact CD2-CZ 4.39Å; F52-F140 HydrophobicContact CE2-CE1 4.46Å; F52-F140 AromaticContact CE2-CZ 3.88Å; F52-F140 HydrophobicContact CE2-CZ 3.88Å; F52-F140 HydrophobicContact CZ-CZ 4.31Å; I115-F140 HydrophobicContact CD1-CE2 4.3Å; F122-F140 HydrophobicContact CB-CE1 4.27Å; F122-F140 HydrophobicContact CB-CE2 3.76Å; F122-F140 HydrophobicContact CB-CZ 3.51Å; F122-F140 AromaticContact CD1-CE1 3.5Å; F122-F140 HydrophobicContact CD1-CE1 3.5Å; F122-F140 VanDerWaalsContact CD1-CE1 3.5Å; F122-F140 HydrophobicContact CD1-CE2 4.47Å; F122-F140 AromaticContact CD1-CZ 3.45Å; F122-F140 HydrophobicContact CD1-CZ 3.45Å; F122-F140 VanDerWaalsContact CD1-CZ 3.45Å; F122-F140 HydrophobicContact CD2-CZ 4.29Å; F122-F140 HydrophobicContact CE1-CE1 4.06Å; F122-F140 HydrophobicContact CE1-CZ 4.21Å; F122-F140 HydrophobicContact CG-CE1 4.05Å; F122-F140 HydrophobicContact CG-CE2 4.25Å; F122-F140 AromaticContact CG-CZ 3.49Å; F122-F140 HydrophobicContact CG-CZ 3.49Å; F122-F140 VanDerWaalsContact CG-CZ 3.49Å; L123-F140 WeakPolarHBondContact O-CA 3.29Å; I124-F140 HydrophobicContact CG1-CD2 4.17Å; I124-F140 HydrophobicContact CG1-CE2 4.48Å |
| 141 | M | 90.6 | Very high | 80.8 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 146.7 | -175.3 | 58.7 | -170.5 | 61.6 | 0 | 0 | 110.7 | L4 F8 F122 L123 L139 Q308 | L4-M141 HydrophobicContact CD2-CE 4.07Å; L4-M141 HydrophobicContact CD2-SD 3.38Å; L4-M141 WeakPolarHBondContact CD2-SD 3.35Å; F8-M141 HydrophobicContact CB-CB 3.99Å; F8-M141 HydrophobicContact CB-CE 3.88Å; F122-M141 CarbonylContact C-O 3.57Å; F122-M141 WeakPolarHBondContact CA-O 3.46Å; L123-M141 HydrophobicContact CB-CG 4Å; L123-M141 PolarHBondContact N-O 3.12Å; L123-M141 PolarHBondContact O-N 3.33Å; L123-M141 VanDerWaalsContact O-N 3.14Å; L139-M141 HydrophobicContact CB-CE 3.8Å; L139-M141 HydrophobicContact CD1-CE 4.2Å; M141-Q308 PolarHBondContact SD-NE2 2.86Å |
| 142 | R | 88 | Confident | 81.2 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.6 | 168.9 | -175.9 | 172.6 | 64.7 | 140.3 | 2.4 | 109.1 | N120 F122 K144 | N120-R142 WeakPolarHBondContact OD1-CD 3.28Å; N120-R142 PolarHBondContact OD1-NH1 2.81Å; F122-R142 HydrophobicContact CD1-CB 4.11Å; F122-R142 HydrophobicContact CD1-CG 4.48Å; F122-R142 HydrophobicContact CE1-CB 4.14Å; F122-R142 HydrophobicContact CE1-CG 4.33Å; R142-K144 PolarHBondContact O-N 3.07Å |
| 143 | M | 82.6 | Confident | 81.3 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | trans | -66.4 | 123.9 | 179.4 | -171.4 | 173.8 | 70.3 | 0 | 0 | 110.8 | T121 L123 F310 K359 Y361 | T121-M143 HydrophobicContact CG2-CB 4.39Å; T121-M143 HydrophobicContact CG2-CE 3.87Å; T121-M143 HydrophobicContact CG2-SD 4.21Å; T121-M143 WeakPolarHBondContact O-CB 3.3Å; T121-M143 PolarHBondContact O-N 2.9Å; L123-M143 HydrophobicContact CD1-CB 4.1Å; L123-M143 HydrophobicContact CD1-CG 4.17Å; L123-M143 HydrophobicContact CD1-SD 4.36Å; L123-M143 HydrophobicContact CG-CB 4.39Å; M143-F310 HydrophobicContact CE-CD1 4.07Å; M143-F310 HydrophobicContact CE-CE1 3.68Å; M143-F310 HydrophobicContact SD-CD1 3.6Å; M143-F310 VanDerWaalsContact SD-CD1 3.6Å; M143-F310 HydrophobicContact SD-CE1 3.88Å; M143-K359 HydrophobicContact CE-CB 3.98Å; M143-K359 HydrophobicContact CE-CD 4.48Å; M143-Y361 HydrophobicContact CE-CE2 3.77Å | ||
| 144 | K | 73 | Confident | 80.7 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 39% | 0.391 | 25% | 0.251 | S | S | . | . | trans | -120.3 | -4.3 | -176.3 | -75.7 | -170.2 | 176.2 | -166.7 | 0 | 115.9 | D7 R142 D146 K359 | D7-K144 WeakPolarHBondContact OD2-CE 3.3Å; D7-K144 IonicContact OD2-NZ 2.5Å; D7-K144 PolarHBondContact OD2-NZ 3.12Å; R142-K144 PolarHBondContact O-N 3.07Å; K144-D146 PolarHBondContact O-N 3.18Å; K144-D146 VanDerWaalsContact O-OD1 3.07Å; K144-K359 PolarHBondContact O-NZ 2.84Å | ||
| 145 | R | 64.1 | Low | 79.6 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | trans | -49.5 | 130.1 | -170 | -163.2 | 176 | -169.7 | 173.9 | 1.2 | 114.3 | E147 F351 K359 | R145-E147 HydrophobicContact CG-CB 4.4Å; R145-E147 IonicContact CZ-OE2 3.55Å; R145-E147 IonicContact NE-OE2 3.47Å; R145-E147 PolarHBondContact NE-OE2 3.27Å; R145-E147 IonicContact NH2-OE2 3.77Å; R145-E147 PolarHBondContact NH2-OE2 3.04Å; R145-F351 HydrophobicContact CB-CE1 4.48Å; R145-F351 WeakPolarHBondContact O-CD1 3.01Å; R145-K359 PolarHBondContact O-NZ 2.9Å | ||
| 146 | D | 56.5 | Low | 77.7 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | trans | -111 | 4 | -175.6 | -68.6 | -25 | 0 | 0 | 0 | 113.6 | K144 K359 | K144-D146 PolarHBondContact O-N 3.18Å; K144-D146 VanDerWaalsContact O-OD1 3.07Å; D146-K359 IonicContact OD1-NZ 3.11Å; D146-K359 PolarHBondContact OD1-NZ 3.08Å | ||
| 147 | E | 58.8 | Low | 75.7 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -76 | 128.6 | -177.5 | -69.1 | -179.9 | 154.3 | 0 | 0 | 111.6 | R145 A149 F351 | R145-E147 HydrophobicContact CG-CB 4.4Å; R145-E147 IonicContact CZ-OE2 3.55Å; R145-E147 IonicContact NE-OE2 3.47Å; R145-E147 PolarHBondContact NE-OE2 3.27Å; R145-E147 IonicContact NH2-OE2 3.77Å; R145-E147 PolarHBondContact NH2-OE2 3.04Å; E147-A149 PolarHBondContact O-N 2.92Å; E147-F351 WeakPolarHBondContact O-CD2 3.48Å; E147-F351 WeakPolarHBondContact O-CE2 3.41Å; E147-F351 WeakPolarHBondContact O-CG 3.47Å |
| 148 | E | 62.1 | Low | 73.4 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -78 | 121 | 175.6 | -55.2 | -172.5 | 140.4 | 0 | 0 | 111.1 | Y349 S350 | E148-Y349 VanDerWaalsContact CA-O 3.23Å; E148-Y349 WeakPolarHBondContact CA-O 3.41Å; E148-S350 PolarHBondContact OE1-OG 2.79Å |
| 149 | A | 70.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 148.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E147 E284 Y311 Y349 | E147-A149 PolarHBondContact O-N 2.92Å; A149-E284 HydrophobicContact CB-CB 4.12Å; A149-E284 HydrophobicContact CB-CG 3.77Å; A149-Y311 VanDerWaalsContact CB-OH 3.28Å; A149-Y311 WeakPolarHBondContact CB-OH 3.04Å; A149-Y349 HydrophobicContact CB-CD2 3.68Å; A149-Y349 HydrophobicContact CB-CE2 4.47Å; A149-Y349 HydrophobicContact CB-CG 4.25Å; A149-Y349 PolarHBondContact N-O 2.9Å; A149-Y349 WeakPolarHBondContact O-CA 3.23Å; A149-Y349 WeakPolarHBondContact O-CB 3.46Å; A149-Y349 WeakPolarHBondContact O-CD2 3.3Å; A149-Y349 PolarHBondContact O-N 3.32Å |
| 150 | T | 83 | Confident | 69 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150 | 176.5 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | K282 A283 E284 L348 | T150-K282 VanDerWaalsContact OG1-C 3.28Å; T150-K282 PolarHBondContact OG1-O 3.3Å; T150-A283 CarbonylContact O-C 3.46Å; T150-A283 VanDerWaalsContact O-CA 3.27Å; T150-A283 WeakPolarHBondContact O-CA 2.86Å; T150-A283 VanDerWaalsContact OG1-CA 3.3Å; T150-A283 WeakPolarHBondContact OG1-CA 3.34Å; T150-A283 PolarHBondContact OG1-N 3.4Å; T150-E284 PolarHBondContact O-N 3.18Å; T150-L348 HydrophobicContact CG2-CD1 3.52Å |
| 151 | C | 86.6 | Confident | 66.6 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.2 | 169.3 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | N153 T285 H318 G347 | C151-N153 VanDerWaalsContact C-N 3.31Å; C151-N153 VanDerWaalsContact SG-CB 3.58Å; C151-N153 PolarHBondContact SG-N 3.39Å; C151-N153 VanDerWaalsContact SG-N 3.38Å; C151-T285 HydrophobicContact CB-CG2 4.09Å; C151-H318 WeakPolarHBondContact CB-NE2 3.41Å; C151-H318 PolarHBondContact SG-NE2 3.21Å; C151-G347 PolarHBondContact N-O 2.01Å |
| 152 | G | 85.9 | Confident | 64.3 | Low | 17 Ų | 17 | 67 Ų | 67 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -79.3 | -12.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T154 T285 | G152-T154 PolarHBondContact O-N 2.87Å; G152-T285 PolarHBondContact N-O 3.22Å | ||
| 153 | N | 85 | Confident | 61.6 | Low | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | trans | -68 | 115.9 | 173.2 | -70.6 | 51.5 | 0 | 0 | 0 | 109 | C151 M286 S287 S289 H322 H328 | C151-N153 VanDerWaalsContact C-N 3.31Å; C151-N153 VanDerWaalsContact SG-CB 3.58Å; C151-N153 PolarHBondContact SG-N 3.39Å; C151-N153 VanDerWaalsContact SG-N 3.38Å; N153-M286 WeakPolarHBondContact OD1-CA 3.24Å; N153-M286 VanDerWaalsContact OD1-CG 3.25Å; N153-M286 WeakPolarHBondContact OD1-CG 3.46Å; N153-S287 PolarHBondContact ND2-O 3.35Å; N153-S287 PolarHBondContact OD1-N 3.11Å; N153-S287 PolarHBondContact OD1-O 2.85Å; N153-S289 PolarHBondContact ND2-OG 3.2Å; N153-H322 PolarHBondContact ND2-ND1 2.84Å; N153-H328 PolarHBondContact O-CE1 2.96Å | ||
| 154 | T | 72.1 | Confident | 59.4 | Low | 83 Ų | 83 | 72.4 Ų | 72.4 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | trans | -95.7 | 144.7 | 163.6 | 64.1 | 0 | 0 | 0 | 0 | 108.9 | G152 N156 T157 | G152-T154 PolarHBondContact O-N 2.87Å; T154-N156 PolarHBondContact O-N 3.19Å; T154-T157 PolarHBondContact O-N 3.24Å; T154-T157 PolarHBondContact O-OG1 3.04Å; T154-T157 VanDerWaalsContact OG1-CG2 3.3Å; T154-T157 WeakPolarHBondContact OG1-CG2 3.49Å; T154-T157 PolarHBondContact OG1-N 3.38Å | ||
| 155 | D | 59.2 | Low | 57.5 | Low | 35 Ų | 35 | 71.4 Ų | 71.4 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.4 | 174.6 | -90.6 | -19 | 0 | 0 | 0 | 112.9 | S160 K162 N331 | D155-S160 VanDerWaalsContact O-CB 3.23Å; D155-S160 WeakPolarHBondContact O-CB 3.47Å; D155-S160 PolarHBondContact O-OG 3.44Å; D155-K162 HydrophobicContact CB-CD 4.06Å; D155-K162 IonicContact OD1-NZ 3.74Å; D155-K162 PolarHBondContact OD1-NZ 3.01Å; D155-K162 IonicContact OD2-NZ 3.43Å; D155-K162 PolarHBondContact OD2-NZ 2.9Å; D155-N331 PolarHBondContact OD2-ND2 3.15Å |
| 156 | N | 47.2 | Very low | 56.4 | Low | 151 Ų | 151 | 73.8 Ų | 73.8 | 81% | 0.807 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 5.4 | -179.3 | -71.2 | -7.5 | 0 | 0 | 0 | 114.8 | T154 | T154-N156 PolarHBondContact O-N 3.19Š|
| 157 | T | 49.2 | Very low | 55.3 | Low | 28 Ų | 28 | 77.8 Ų | 77.8 | 17% | 0.172 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -56.4 | 146.8 | 174 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | T154 W159 S160 M286 | T154-T157 PolarHBondContact O-N 3.24Å; T154-T157 PolarHBondContact O-OG1 3.04Å; T154-T157 VanDerWaalsContact OG1-CG2 3.3Å; T154-T157 WeakPolarHBondContact OG1-CG2 3.49Å; T154-T157 PolarHBondContact OG1-N 3.38Å; T157-W159 PolarHBondContact O-N 3.08Å; T157-S160 PolarHBondContact O-N 2.92Å; T157-M286 HydrophobicContact CG2-CE 4.04Å |
| 158 | E | 45.7 | Very low | 54.5 | Low | 194 Ų | 194 | 80.8 Ų | 80.8 | 91% | 0.907 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -19.6 | 174.2 | -82.3 | -174.8 | 153.1 | 0 | 0 | 113.3 | ||
| 159 | W | 50.1 | Low | 53.5 | Low | 65 Ų | 65 | 81.1 Ų | 81.1 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -17.2 | -174.2 | -58.3 | 4.2 | 0 | 0 | 0 | 112.3 | T157 R161 L253 L254 V257 V288 | T157-W159 PolarHBondContact O-N 3.08Å; W159-R161 PolarHBondContact O-N 3.49Å; W159-L253 HydrophobicContact CE3-CD2 4.47Å; W159-L253 HydrophobicContact CH2-CG 4.46Å; W159-L253 HydrophobicContact CZ3-CD2 3.75Å; W159-L253 HydrophobicContact CZ3-CG 3.97Å; W159-L254 HydrophobicContact CH2-CD2 3.52Å; W159-L254 HydrophobicContact CH2-CG 4.25Å; W159-L254 HydrophobicContact CZ2-CD2 3.18Å; W159-L254 HydrophobicContact CZ2-CG 4.28Å; W159-V257 HydrophobicContact CH2-CG2 3.97Å; W159-V257 HydrophobicContact CZ3-CG2 4.37Å; W159-V288 HydrophobicContact CB-CG1 4.46Å; W159-V288 HydrophobicContact CD2-CG1 4.06Å; W159-V288 HydrophobicContact CE3-CB 3.77Å; W159-V288 HydrophobicContact CE3-CG1 3.59Å; W159-V288 HydrophobicContact CE3-CG2 3.52Å; W159-V288 HydrophobicContact CH2-CG2 3.89Å; W159-V288 HydrophobicContact CZ3-CB 3.93Å; W159-V288 HydrophobicContact CZ3-CG1 4.04Å; W159-V288 HydrophobicContact CZ3-CG2 3.11Å |
| 160 | S | 45.1 | Very low | 52.1 | Low | 17 Ų | 17 | 85.2 Ų | 85.2 | 12% | 0.119 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -81.7 | 112.2 | 169.5 | 171.5 | 0 | 0 | 0 | 0 | 108.8 | D155 T157 K162 | D155-S160 VanDerWaalsContact O-CB 3.23Å; D155-S160 WeakPolarHBondContact O-CB 3.47Å; D155-S160 PolarHBondContact O-OG 3.44Å; T157-S160 PolarHBondContact O-N 2.92Å; S160-K162 PolarHBondContact O-N 3.39Å |
| 161 | R | 44.4 | Very low | 49.9 | Very low | 146 Ų | 146 | 93.1 Ų | 93.1 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -66 | 5.4 | 179.6 | -133.2 | 176.4 | 82.4 | -168.9 | 6.7 | 114.1 | W159 G163 I164 | W159-R161 PolarHBondContact O-N 3.49Å; R161-G163 PolarHBondContact O-N 2.85Å; R161-G163 VanDerWaalsContact O-N 3.16Å; R161-I164 HydrophobicContact CG-CD1 4.24Å; R161-I164 PolarHBondContact O-N 3.35Å |
| 162 | K | 40.9 | Very low | 47.5 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 33% | 0.33 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -57.4 | -23 | 172 | -82.5 | -179 | 175.4 | 169.5 | 0 | 112.9 | D155 S160 I164 | D155-K162 HydrophobicContact CB-CD 4.06Å; D155-K162 IonicContact OD1-NZ 3.74Å; D155-K162 PolarHBondContact OD1-NZ 3.01Å; D155-K162 IonicContact OD2-NZ 3.43Å; D155-K162 PolarHBondContact OD2-NZ 2.9Å; S160-K162 PolarHBondContact O-N 3.39Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.48Å |
| 163 | G | 32.4 | Very low | 45.1 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 81% | 0.814 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -65.1 | -25.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R161 G165 | R161-G163 PolarHBondContact O-N 2.85Å; R161-G163 VanDerWaalsContact O-N 3.16Å; G163-G165 PolarHBondContact O-N 3.13Å |
| 164 | I | 36.7 | Very low | 42.8 | Very low | 129 Ų | 129 | 118 Ų | 118 | 66% | 0.662 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -98.5 | 89.1 | 171.5 | -54.7 | 176 | 0 | 0 | 0 | 106.6 | R161 K162 R166 | R161-I164 HydrophobicContact CG-CD1 4.24Å; R161-I164 PolarHBondContact O-N 3.35Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.48Å; I164-R166 PolarHBondContact O-N 2.79Å |
| 165 | G | 33 | Very low | 41.1 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | trans | -20.1 | 93.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G163 K167 | G163-G165 PolarHBondContact O-N 3.13Å; G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 2.83Å | ||
| 166 | R | 39.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 132 Ų | 132 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | trans | -64.9 | 94.5 | 165 | -112.7 | -179.9 | 153.6 | -177.7 | -5.5 | 106.4 | I164 R168 D370 | I164-R166 PolarHBondContact O-N 2.79Å; R166-R168 PolarHBondContact O-N 2.96Å; R166-R168 VanDerWaalsContact O-N 3.17Å; R166-D370 IonicContact NH1-OD1 2.68Å | ||
| 167 | K | 35 | Very low | 40.2 | Very low | 193 Ų | 193 | 127.3 Ų | 127.3 | 84% | 0.839 | 61% | 0.61 | S | S | * | * | trans | -66.4 | 109.4 | 148.4 | -75.3 | -174.2 | 178.2 | 179.7 | 0 | 104.6 | G165 P169 | G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 2.83Å; K167-P169 WeakPolarHBondContact O-CD 3.43Å | ||
| 168 | R | 41.6 | Very low | 40.7 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 57% | 0.566 | 62% | 0.615 | S | S | * | * | trans | -43.2 | 118.2 | 164.1 | -83.7 | -177.5 | 166.9 | 176.8 | -4.6 | 105.2 | R166 A170 D332 | R166-R168 PolarHBondContact O-N 2.96Å; R166-R168 VanDerWaalsContact O-N 3.17Å; R168-A170 PolarHBondContact O-N 3.49Å; R168-D332 IonicContact CZ-OD2 3.17Å; R168-D332 IonicContact NH1-OD2 2.61Å; R168-D332 PolarHBondContact NH1-OD2 2.87Å; R168-D332 IonicContact NH2-OD2 2.78Å; R168-D332 PolarHBondContact NH2-OD2 3.14Å | ||
| 169 | P | 40.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -55.1 | 120 | -178.4 | 17.1 | -26.9 | 0 | 0 | 0 | 106.7 | K167 Q171 | K167-P169 WeakPolarHBondContact O-CD 3.43Å; P169-Q171 PolarHBondContact O-N 2.86Å | ||
| 170 | A | 40.7 | Very low | 42.6 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | trans | -48.6 | 138.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | R168 R172 | R168-A170 PolarHBondContact O-N 3.49Å; A170-R172 PolarHBondContact O-N 3.36Å | ||
| 171 | Q | 37.8 | Very low | 43.8 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 93% | 0.925 | 61% | 0.605 | S | S | * | * | trans | -54.1 | 75.1 | 178.1 | -77 | 177.6 | -25.2 | 0 | 0 | 110.8 | P169 R173 | P169-Q171 PolarHBondContact O-N 2.86Å; Q171-R173 PolarHBondContact O-N 2.82Å | ||
| 172 | R | 35.7 | Very low | 45.1 | Very low | 214 Ų | 214 | 120.1 Ų | 120.1 | 81% | 0.808 | 59% | 0.591 | S | S | * | * | trans | -68.1 | 120.9 | 155.3 | -82.3 | -175.7 | 157.1 | -169.6 | -6.5 | 102.7 | A170 L174 | A170-R172 PolarHBondContact O-N 3.36Å; R172-L174 HydrophobicContact CB-CG 4.31Å; R172-L174 PolarHBondContact O-N 2.78Å | ||
| 173 | R | 35.5 | Very low | 47.1 | Very low | 248 Ų | 248 | 119 Ų | 119 | 94% | 0.936 | 59% | 0.59 | S | S | * | * | trans | -61.8 | 70.1 | 165.9 | -69.2 | 179.9 | 174.9 | -175.4 | -1.9 | 107.7 | Q171 W175 | Q171-R173 PolarHBondContact O-N 2.82Å; R173-W175 PolarHBondContact O-N 2.85Å | ||
| 174 | L | 37.4 | Very low | 49.9 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | trans | -63.5 | 123.5 | 162.2 | -70.5 | 165.9 | 0 | 0 | 0 | 103.8 | R172 K176 | R172-L174 HydrophobicContact CB-CG 4.31Å; R172-L174 PolarHBondContact O-N 2.78Å; L174-K176 PolarHBondContact O-N 2.83Å | ||
| 175 | W | 36.6 | Very low | 52.6 | Low | 218 Ų | 218 | 110.6 Ų | 110.6 | 83% | 0.826 | 53% | 0.526 | S | S | * | . | trans | -40.3 | 131.8 | 174.5 | -63.6 | 79.6 | 0 | 0 | 0 | 109 | R173 R177 | R173-W175 PolarHBondContact O-N 2.85Å; W175-R177 PolarHBondContact O-N 3.31Å | ||
| 176 | K | 37.7 | Very low | 55.6 | Low | 196 Ų | 196 | 107.3 Ų | 107.3 | 85% | 0.852 | 49% | 0.493 | S | S | * | . | trans | -50.3 | 102.6 | 176.4 | -87.4 | -175.9 | 169.9 | -172.7 | 0 | 107.7 | L174 | L174-K176 PolarHBondContact O-N 2.83Š| ||
| 177 | R | 49.3 | Very low | 58.3 | Low | 51 Ų | 51 | 102.7 Ų | 102.7 | 19% | 0.192 | 48% | 0.475 | C | S | . | . | trans | -67.9 | 149.4 | 171.4 | -65.8 | -175.3 | -178.5 | 160.6 | -3.8 | 107.7 | W175 V179 N376 | W175-R177 PolarHBondContact O-N 3.31Å; R177-V179 HydrophobicContact CB-CB 4.26Å; R177-V179 HydrophobicContact CB-CG2 3.87Å; R177-V179 PolarHBondContact O-N 3.3Å; R177-N376 WeakPolarHBondContact CD-OD1 3.37Å; R177-N376 PolarHBondContact NH1-O 2.92Å; R177-N376 PolarHBondContact NH1-OD1 3.17Å | ||
| 178 | D | 59.6 | Low | 61.3 | Low | 51 Ų | 51 | 93.5 Ų | 93.5 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -68.5 | -4.9 | -179.6 | -155.3 | 12.6 | 0 | 0 | 0 | 112.8 | E180 V181 E182 | D178-E180 PolarHBondContact O-N 3.41Å; D178-E180 VanDerWaalsContact O-N 3.1Å; D178-V181 PolarHBondContact O-N 2.77Å; D178-V181 WeakPolarHBondContact OD1-CB 3.32Å; D178-E182 PolarHBondContact O-N 2.67Å |
| 179 | V | 65.5 | Low | 64 | Low | 2 Ų | 2 | 86.3 Ų | 86.3 | 1% | 0.012 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -51.2 | -33 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | R177 K184 L375 F384 V425 T426 | R177-V179 HydrophobicContact CB-CB 4.26Å; R177-V179 HydrophobicContact CB-CG2 3.87Å; R177-V179 PolarHBondContact O-N 3.3Å; V179-K184 WeakPolarHBondContact O-CE 3.45Å; V179-K184 PolarHBondContact O-NZ 2.98Å; V179-L375 HydrophobicContact CG1-CB 3.73Å; V179-L375 HydrophobicContact CG1-CD1 3.49Å; V179-L375 VanDerWaalsContact CG1-CD1 3.49Å; V179-L375 HydrophobicContact CG1-CG 4.21Å; V179-F384 HydrophobicContact CG1-CZ 4.19Å; V179-F384 HydrophobicContact CG2-CZ 4.37Å; V179-V425 HydrophobicContact CG2-CB 4.17Å; V179-V425 HydrophobicContact CG2-CG1 4.06Å; V179-T426 HydrophobicContact CG2-CG2 4.48Å |
| 180 | E | 68.9 | Low | 66.7 | Low | 84 Ų | 84 | 81 Ų | 81 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -75 | -30.6 | 178.1 | -75.6 | -176.5 | -170.6 | 0 | 0 | 113.7 | D178 N226 L372 | D178-E180 PolarHBondContact O-N 3.41Å; D178-E180 VanDerWaalsContact O-N 3.1Å; E180-N226 PolarHBondContact O-ND2 2.9Å; E180-L372 HydrophobicContact CG-CD1 3.91Å; E180-L372 HydrophobicContact CG-CD2 3.61Å; E180-L372 HydrophobicContact CG-CG 4.43Å; E180-L372 WeakPolarHBondContact OE1-CD1 3.41Å |
| 181 | V | 70.4 | Confident | 69.4 | Low | 108 Ų | 108 | 76.9 Ų | 76.9 | 66% | 0.655 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -30.4 | -172 | -175 | 0 | 0 | 0 | 0 | 111.3 | D178 T183 N226 | D178-V181 PolarHBondContact O-N 2.77Å; D178-V181 WeakPolarHBondContact OD1-CB 3.32Å; V181-T183 PolarHBondContact O-N 3.22Å; V181-N226 PolarHBondContact O-ND2 3.05Å |
| 182 | E | 72.5 | Confident | 72.2 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -71.1 | 127.1 | 176.8 | -169.7 | 73.2 | -164.2 | 0 | 0 | 111.4 | D178 N226 F384 K428 | D178-E182 PolarHBondContact O-N 2.67Å; E182-N226 VanDerWaalsContact C-ND2 3.28Å; E182-N226 PolarHBondContact O-ND2 3.03Å; E182-F384 HydrophobicContact CB-CD1 4.49Å; E182-F384 HydrophobicContact CB-CE1 4.23Å; E182-F384 HydrophobicContact CG-CD1 3.91Å; E182-F384 HydrophobicContact CG-CE1 4.15Å; E182-K428 IonicContact OE1-NZ 2.86Å; E182-K428 PolarHBondContact OE1-NZ 3.02Å; E182-K428 IonicContact OE2-NZ 3.73Å; E182-K428 PolarHBondContact OE2-NZ 3.07Å |
| 183 | T | 83.3 | Confident | 75 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | trans | -66.4 | 134.7 | 174 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | V181 F185 N226 R228 | V181-T183 PolarHBondContact O-N 3.22Å; T183-F185 HydrophobicContact CG2-CE2 4.31Å; T183-F185 HydrophobicContact CG2-CZ 4.17Å; T183-N226 WeakPolarHBondContact CA-O 3.4Å; T183-N226 WeakPolarHBondContact CA-OD1 3.34Å; T183-N226 PolarHBondContact N-ND2 3.49Å; T183-N226 PolarHBondContact OG1-OD1 2.93Å; T183-R228 HydrophobicContact CG2-CG 3.75Å | ||
| 184 | K | 91.1 | Very high | 77.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 152.6 | 179.4 | -67.2 | 158.6 | -150.7 | -49.1 | 0 | 110.2 | V179 N226 I227 R228 F371 L375 L383 F384 | V179-K184 WeakPolarHBondContact O-CE 3.45Å; V179-K184 PolarHBondContact O-NZ 2.98Å; K184-N226 PolarHBondContact N-O 3.32Å; K184-I227 HydrophobicContact CB-CG1 4.08Å; K184-I227 HydrophobicContact CD-CG1 4.32Å; K184-I227 CarbonylContact O-C 3.54Å; K184-I227 WeakPolarHBondContact O-CA 3.3Å; K184-R228 PolarHBondContact O-N 2.86Å; K184-F371 HydrophobicContact CD-CE1 3.85Å; K184-F371 HydrophobicContact CD-CZ 3.56Å; K184-L375 HydrophobicContact CD-CD1 3.81Å; K184-L375 VanDerWaalsContact CE-CD1 3.41Å; K184-L383 CarbonylContact C-O 3.59Å; K184-L383 WeakPolarHBondContact CA-O 3.48Å; K184-L383 HydrophobicContact CB-CB 4.08Å; K184-L383 HydrophobicContact CG-CB 4.34Å; K184-F384 HydrophobicContact CG-CE1 4.32Å |
| 185 | F | 92.9 | Very high | 80.4 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.8 | 176.3 | -61.5 | -89.9 | 0 | 0 | 0 | 109.3 | V61 T183 R228 L383 N385 Q386 P387 | V61-F185 HydrophobicContact CG1-CD1 3.87Å; V61-F185 HydrophobicContact CG1-CE1 3.93Å; V61-F185 HydrophobicContact CG2-CE1 4.15Å; T183-F185 HydrophobicContact CG2-CE2 4.31Å; T183-F185 HydrophobicContact CG2-CZ 4.17Å; F185-R228 CarbonylContact C-O 3.21Å; F185-R228 VanDerWaalsContact CA-O 3.28Å; F185-R228 WeakPolarHBondContact CA-O 3.43Å; F185-R228 HydrophobicContact CD1-CB 3.79Å; F185-R228 HydrophobicContact CD1-CG 4.48Å; F185-R228 HydrophobicContact CE1-CB 3.94Å; F185-R228 HydrophobicContact CE1-CG 4.17Å; F185-L383 PolarHBondContact N-O 3.03Å; F185-L383 VanDerWaalsContact O-CA 3.25Å; F185-L383 WeakPolarHBondContact O-CA 3.04Å; F185-L383 WeakPolarHBondContact O-CD2 3.46Å; F185-N385 WeakPolarHBondContact CB-O 3.29Å; F185-N385 WeakPolarHBondContact CD2-O 3.49Å; F185-Q386 HydrophobicContact CE2-CG 4.32Å; F185-Q386 HydrophobicContact CZ-CG 4.45Å; F185-P387 HydrophobicContact CB-CG 4.39Å; F185-P387 HydrophobicContact CD1-CG 4.16Å |
| 186 | V | 97 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 113.7 | 171.5 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | L188 I227 R228 V229 S230 D270 A271 L324 L383 | V186-L188 PolarHBondContact O-N 2.84Å; V186-I227 HydrophobicContact CG2-CG2 3.61Å; V186-R228 PolarHBondContact N-O 3.11Å; V186-V229 HydrophobicContact CB-CG1 4.39Å; V186-V229 HydrophobicContact CB-CG2 4.27Å; V186-V229 HydrophobicContact CG1-CG1 4.43Å; V186-S230 PolarHBondContact O-N 3.46Å; V186-D270 HydrophobicContact CG1-CB 4.49Å; V186-A271 HydrophobicContact CG1-CB 4.19Å; V186-L324 HydrophobicContact CG2-CD2 4.43Å; V186-L383 HydrophobicContact CG2-CD2 3.8Å |
| 187 | E | 95.7 | Very high | 85.9 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 101.5 | 169.5 | -62.2 | -172.2 | 143.8 | 0 | 0 | 110.1 | V232 S268 D270 A271 P387 L388 | E187-V232 HydrophobicContact CB-CB 4.47Å; E187-V232 HydrophobicContact CB-CG1 3.71Å; E187-V232 HydrophobicContact CB-CG2 3.92Å; E187-V232 HydrophobicContact CG-CG1 3.86Å; E187-S268 PolarHBondContact OE2-OG 3.3Å; E187-D270 HydrophobicContact CB-CB 4.32Å; E187-D270 WeakPolarHBondContact CB-OD2 3.45Å; E187-D270 WeakPolarHBondContact CG-OD2 3.46Å; E187-D270 PolarHBondContact N-OD2 3Å; E187-D270 PolarHBondContact O-N 2.92Å; E187-A271 PolarHBondContact O-N 3.02Å; E187-P387 HydrophobicContact CG-CB 4.38Å; E187-P387 WeakPolarHBondContact OE1-CA 3.45Å; E187-L388 PolarHBondContact OE1-N 2.72Å |
| 188 | L | 98 | Very high | 88 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.5 | -175.8 | -177.8 | 64.1 | 0 | 0 | 0 | 112 | V186 I190 V215 V229 S230 V231 V232 A271 L273 M316 I320 | V186-L188 PolarHBondContact O-N 2.84Å; L188-I190 HydrophobicContact CD2-CD1 4.02Å; L188-I190 HydrophobicContact CD2-CG1 4.02Å; L188-I190 HydrophobicContact CG-CD1 4.47Å; L188-I190 HydrophobicContact CG-CG1 3.98Å; L188-V215 HydrophobicContact CD2-CG1 4.34Å; L188-V215 HydrophobicContact CD2-CG2 3.87Å; L188-V229 HydrophobicContact CB-CG1 4.11Å; L188-V229 HydrophobicContact CD2-CG1 4.12Å; L188-S230 WeakPolarHBondContact CB-O 3.47Å; L188-S230 PolarHBondContact N-O 3.49Å; L188-V231 WeakPolarHBondContact O-CA 3.47Å; L188-V232 PolarHBondContact O-N 3.35Å; L188-A271 WeakPolarHBondContact CA-O 3.37Å; L188-A271 HydrophobicContact CD1-CB 4.32Å; L188-L273 HydrophobicContact CD1-CD1 4.14Å; L188-L273 HydrophobicContact CD1-CG 3.96Å; L188-M316 HydrophobicContact CD2-CE 3.93Å; L188-I320 HydrophobicContact CD1-CD1 4.17Å; L188-I320 HydrophobicContact CD1-CG1 4.49Å; L188-I320 HydrophobicContact CD2-CD1 4.16Å |
| 189 | S | 97.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136 | 164.7 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | H233 H269 A271 A272 L273 | S189-H233 CarbonylContact C-O 3.54Å; S189-H233 VanDerWaalsContact CA-O 3.26Å; S189-H233 WeakPolarHBondContact CA-O 3.27Å; S189-H269 VanDerWaalsContact OG-CB 3.26Å; S189-H269 WeakPolarHBondContact OG-CB 3.22Å; S189-A271 PolarHBondContact N-O 3.34Å; S189-A272 CarbonylContact O-C 3.38Å; S189-A272 VanDerWaalsContact O-CA 3.24Å; S189-A272 WeakPolarHBondContact O-CA 3.47Å; S189-L273 PolarHBondContact O-N 2.91Å |
| 190 | I | 98 | Very high | 90.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.6 | 178.3 | -54.2 | 173.7 | 0 | 0 | 0 | 110.2 | L188 V192 L211 V215 V231 H233 A234 E235 L273 V275 M316 | L188-I190 HydrophobicContact CD2-CD1 4.02Å; L188-I190 HydrophobicContact CD2-CG1 4.02Å; L188-I190 HydrophobicContact CG-CD1 4.47Å; L188-I190 HydrophobicContact CG-CG1 3.98Å; I190-V192 HydrophobicContact CG2-CG2 4.21Å; I190-L211 HydrophobicContact CD1-CB 4.43Å; I190-L211 HydrophobicContact CG2-CD1 4.12Å; I190-L211 HydrophobicContact CG2-CD2 4.29Å; I190-V215 HydrophobicContact CD1-CG2 3.68Å; I190-V231 HydrophobicContact CD1-CG1 4.45Å; I190-V231 HydrophobicContact CD1-CG2 4.21Å; I190-H233 PolarHBondContact N-O 3.32Å; I190-A234 CarbonylContact O-C 3.58Å; I190-A234 VanDerWaalsContact O-CA 3.23Å; I190-A234 WeakPolarHBondContact O-CA 3.47Å; I190-E235 PolarHBondContact O-N 3.21Å; I190-L273 CarbonylContact C-O 3.56Å; I190-L273 WeakPolarHBondContact CA-O 3.4Å; I190-V275 HydrophobicContact CG2-CG2 3.79Å; I190-M316 HydrophobicContact CD1-CE 3.74Å; I190-M316 HydrophobicContact CG1-CE 4.35Å |
| 191 | F | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133 | 173.8 | -62.4 | -95.5 | 0 | 0 | 0 | 108.7 | H233 E235 W237 F256 F259 L260 L267 A272 L273 L274 V275 | F191-H233 AromaticContact CE1-NE2 3.77Å; F191-H233 AromaticContact CZ-CD2 3.83Å; F191-H233 AromaticContact CZ-NE2 3.92Å; F191-E235 CarbonylContact C-O 3.41Å; F191-E235 WeakPolarHBondContact CA-O 3.43Å; F191-E235 HydrophobicContact CD1-CB 3.85Å; F191-E235 HydrophobicContact CD1-CG 4.44Å; F191-E235 HydrophobicContact CE1-CB 4.14Å; F191-W237 HydrophobicContact CB-CH2 4.47Å; F191-W237 HydrophobicContact CB-CZ2 4.05Å; F191-W237 AromaticContact CD1-CZ2 3.94Å; F191-W237 HydrophobicContact CD1-CZ2 3.94Å; F191-W237 HydrophobicContact CG-CZ2 4.33Å; F191-F256 HydrophobicContact CB-CE2 4.29Å; F191-F256 HydrophobicContact CB-CZ 4.5Å; F191-F256 AromaticContact CD2-CE2 3.57Å; F191-F256 HydrophobicContact CD2-CE2 3.57Å; F191-F256 AromaticContact CD2-CZ 3.5Å; F191-F256 HydrophobicContact CD2-CZ 3.5Å; F191-F256 AromaticContact CE2-CE2 4Å; F191-F256 HydrophobicContact CE2-CE2 4Å; F191-F256 HydrophobicContact CE2-CZ 4Å; F191-F256 AromaticContact CG-CE2 3.93Å; F191-F256 HydrophobicContact CG-CE2 3.93Å; F191-F256 HydrophobicContact CG-CZ 4.22Å; F191-F259 HydrophobicContact CD1-CE1 4.09Å; F191-F259 AromaticContact CE1-CE1 3.6Å; F191-F259 HydrophobicContact CE1-CE1 3.6Å; F191-F259 HydrophobicContact CE1-CZ 4.01Å; F191-F259 AromaticContact CZ-CE1 3.88Å; F191-F259 HydrophobicContact CZ-CE1 3.88Å; F191-L260 HydrophobicContact CE2-CD2 3.68Å; F191-L260 HydrophobicContact CZ-CD2 3.99Å; F191-L267 HydrophobicContact CE1-CD1 4.41Å; F191-L267 HydrophobicContact CZ-CD1 3.79Å; F191-A272 HydrophobicContact CE2-CB 4.34Å; F191-L273 PolarHBondContact N-O 3.32Å; F191-L274 HydrophobicContact CB-CD1 3.97Å; F191-L274 CarbonylContact O-C 3.49Å; F191-L274 WeakPolarHBondContact O-CA 3.35Å; F191-V275 PolarHBondContact O-N 2.78Å |
| 192 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.9 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 110 | I190 V196 V197 L207 L211 E235 L236 W237 V275 | I190-V192 HydrophobicContact CG2-CG2 4.21Å; V192-V196 HydrophobicContact CG1-CB 3.74Å; V192-V196 HydrophobicContact CG1-CG1 3.65Å; V192-V197 HydrophobicContact CB-CG2 4.3Å; V192-V197 HydrophobicContact CG1-CG2 3.83Å; V192-L207 HydrophobicContact CG2-CD2 4.45Å; V192-L211 HydrophobicContact CG2-CD1 3.71Å; V192-L211 HydrophobicContact CG2-CD2 4.21Å; V192-E235 PolarHBondContact N-O 3.07Å; V192-L236 HydrophobicContact CB-CD2 3.75Å; V192-L236 HydrophobicContact CG1-CD2 4.46Å; V192-L236 HydrophobicContact CG2-CD2 3.63Å; V192-W237 WeakPolarHBondContact O-CB 3.36Å; V192-W237 PolarHBondContact O-N 3.12Å; V192-V275 HydrophobicContact CG1-CB 4.47Å; V192-V275 HydrophobicContact CG2-CB 4.28Å; V192-V275 HydrophobicContact CG2-CG2 4.4Å |
| 193 | E | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -58.1 | 142.9 | 176.1 | -173.6 | -169.5 | -174.8 | 0 | 0 | 111.6 | R195 V196 V197 N241 V245 V275 S276 M277 | E193-R195 VanDerWaalsContact C-N 3.27Å; E193-R195 PolarHBondContact O-N 2.86Å; E193-R195 IonicContact OE1-CZ 2.65Å; E193-R195 IonicContact OE1-NE 3.46Å; E193-R195 PolarHBondContact OE1-NE 3.37Å; E193-R195 IonicContact OE1-NH2 3.98Å; E193-R195 PolarHBondContact OE1-NH2 3.3Å; E193-R195 IonicContact OE2-CZ 3.84Å; E193-R195 IonicContact OE2-NE 3.17Å; E193-R195 IonicContact OE2-NH2 3.33Å; E193-R195 PolarHBondContact OE2-NH2 2.95Å; E193-V196 HydrophobicContact CB-CG2 4.28Å; E193-V196 WeakPolarHBondContact O-CA 3.34Å; E193-V196 WeakPolarHBondContact O-CB 3.49Å; E193-V196 PolarHBondContact O-N 3.32Å; E193-V197 PolarHBondContact O-N 3.39Å; E193-V197 VanDerWaalsContact O-N 3.1Å; E193-N241 WeakPolarHBondContact CG-OD1 3.42Å; E193-V245 HydrophobicContact CG-CG2 4.14Å; E193-V275 VanDerWaalsContact CB-O 3.28Å; E193-V275 WeakPolarHBondContact CB-O 3.45Å; E193-V275 PolarHBondContact N-O 2.9Å; E193-S276 VanDerWaalsContact OE2-CA 3.29Å; E193-S276 WeakPolarHBondContact OE2-CA 3.36Å; E193-S276 VanDerWaalsContact OE2-CB 3.3Å; E193-S276 WeakPolarHBondContact OE2-CB 3.35Å; E193-S276 PolarHBondContact OE2-OG 2.92Å; E193-M277 PolarHBondContact OE2-N 2.86Å; E193-M277 VanDerWaalsContact OE2-N 3.12Å | ||
| 194 | Q | 93.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 23% | 0.234 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.5 | -42.6 | 177.2 | -178 | -177.4 | 31.2 | 0 | 0 | 114.5 | V196 V197 N198 W237 V238 S239 N241 | Q194-V196 VanDerWaalsContact C-N 3.25Å; Q194-V196 PolarHBondContact O-N 3.32Å; Q194-V197 WeakPolarHBondContact O-CB 3.4Å; Q194-V197 PolarHBondContact O-N 2.86Å; Q194-N198 WeakPolarHBondContact O-CB 3.41Å; Q194-N198 PolarHBondContact O-N 2.9Å; Q194-W237 WeakPolarHBondContact CA-O 3.48Å; Q194-W237 WeakPolarHBondContact CB-O 3.43Å; Q194-W237 PolarHBondContact N-O 2.68Å; Q194-V238 WeakPolarHBondContact CG-O 3.38Å; Q194-V238 PolarHBondContact NE2-O 3.06Å; Q194-S239 PolarHBondContact NE2-O 2.72Å; Q194-S239 PolarHBondContact OE1-O 3.42Å; Q194-N241 WeakPolarHBondContact CB-OD1 3.45Å; Q194-N241 PolarHBondContact N-OD1 3.36Å |
| 195 | R | 92.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 37% | 0.37 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63 | -35.8 | -179.6 | -64.3 | -172.9 | -74 | 168.2 | -4.7 | 111.5 | E193 N198 W199 M277 | E193-R195 VanDerWaalsContact C-N 3.27Å; E193-R195 PolarHBondContact O-N 2.86Å; E193-R195 IonicContact OE1-CZ 2.65Å; E193-R195 IonicContact OE1-NE 3.46Å; E193-R195 PolarHBondContact OE1-NE 3.37Å; E193-R195 IonicContact OE1-NH2 3.98Å; E193-R195 PolarHBondContact OE1-NH2 3.3Å; E193-R195 IonicContact OE2-CZ 3.84Å; E193-R195 IonicContact OE2-NE 3.17Å; E193-R195 IonicContact OE2-NH2 3.33Å; E193-R195 PolarHBondContact OE2-NH2 2.95Å; R195-N198 PolarHBondContact O-N 2.87Å; R195-W199 WeakPolarHBondContact O-CB 2.82Å; R195-W199 PolarHBondContact O-N 3.49Å; R195-M277 HydrophobicContact CB-CG 3.56Å; R195-M277 HydrophobicContact CB-SD 3.33Å; R195-M277 WeakPolarHBondContact CB-SD 3.4Å; R195-M277 VanDerWaalsContact O-SD 3.34Å |
| 196 | V | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | V192 E193 Q194 N198 W199 L200 V275 M277 M303 | V192-V196 HydrophobicContact CG1-CB 3.74Å; V192-V196 HydrophobicContact CG1-CG1 3.65Å; E193-V196 HydrophobicContact CB-CG2 4.28Å; E193-V196 WeakPolarHBondContact O-CA 3.34Å; E193-V196 WeakPolarHBondContact O-CB 3.49Å; E193-V196 PolarHBondContact O-N 3.32Å; Q194-V196 VanDerWaalsContact C-N 3.25Å; Q194-V196 PolarHBondContact O-N 3.32Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.23Å; V196-W199 PolarHBondContact O-N 2.78Å; V196-L200 HydrophobicContact CG1-CD1 4.1Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.72Å; V196-V275 HydrophobicContact CG1-CG1 4.26Å; V196-V275 HydrophobicContact CG2-CG1 4.49Å; V196-M277 HydrophobicContact CG2-CB 3.97Å; V196-M277 HydrophobicContact CG2-CG 4.22Å; V196-M303 HydrophobicContact CG1-CB 4.32Å; V196-M303 HydrophobicContact CG1-SD 3.67Å |
| 197 | V | 94.3 | Very high | 94 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -48 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | V192 E193 Q194 N201 L207 L236 | V192-V197 HydrophobicContact CB-CG2 4.3Å; V192-V197 HydrophobicContact CG1-CG2 3.83Å; E193-V197 PolarHBondContact O-N 3.39Å; E193-V197 VanDerWaalsContact O-N 3.1Å; Q194-V197 WeakPolarHBondContact O-CB 3.4Å; Q194-V197 PolarHBondContact O-N 2.86Å; V197-N201 PolarHBondContact O-N 2.96Å; V197-N201 VanDerWaalsContact O-N 3.16Å; V197-L207 HydrophobicContact CB-CD1 4.36Å; V197-L207 HydrophobicContact CG1-CD1 4.21Å; V197-L207 HydrophobicContact CG2-CD1 4.22Å; V197-L236 HydrophobicContact CG2-CB 4.1Å |
| 198 | N | 94.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.7 | -69.6 | -17.1 | 0 | 0 | 0 | 112.5 | Q194 R195 V196 N201 | Q194-N198 WeakPolarHBondContact O-CB 3.41Å; Q194-N198 PolarHBondContact O-N 2.9Å; R195-N198 PolarHBondContact O-N 2.87Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.23Å; N198-N201 PolarHBondContact O-N 3.22Å |
| 199 | W | 93.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.2 | -38.9 | -178.6 | 175.3 | 71 | 0 | 0 | 0 | 113.3 | R195 V196 N201 M277 M303 K306 | R195-W199 WeakPolarHBondContact O-CB 2.82Å; R195-W199 PolarHBondContact O-N 3.49Å; V196-W199 PolarHBondContact O-N 2.78Å; W199-N201 VanDerWaalsContact C-N 3.3Å; W199-M277 HydrophobicContact CB-SD 4.07Å; W199-M303 HydrophobicContact CZ3-CG 4.07Å; W199-M303 HydrophobicContact CZ3-SD 4.4Å; W199-K306 HydrophobicContact CE3-CB 4.29Å; W199-K306 HydrophobicContact CH2-CB 3.59Å; W199-K306 HydrophobicContact CH2-CD 4.32Å; W199-K306 HydrophobicContact CH2-CG 4.03Å; W199-K306 HydrophobicContact CZ2-CB 4.13Å; W199-K306 HydrophobicContact CZ2-CD 4.01Å; W199-K306 HydrophobicContact CZ2-CG 4.1Å; W199-K306 HydrophobicContact CZ3-CB 3.66Å |
| 200 | L | 92.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 173 | -70.6 | -179.2 | 0 | 0 | 0 | 111 | V196 L202 L207 M303 K306 | V196-L200 HydrophobicContact CG1-CD1 4.1Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.72Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 HydrophobicContact CB-CD1 4.36Å; L200-L202 HydrophobicContact CB-CG 4.3Å; L200-L202 PolarHBondContact O-N 2.97Å; L200-L207 HydrophobicContact CB-CD1 4.4Å; L200-L207 HydrophobicContact CD1-CD1 3.8Å; L200-L207 HydrophobicContact CD1-CD2 4.31Å; L200-L207 HydrophobicContact CD1-CG 3.7Å; L200-M303 HydrophobicContact CD1-SD 3.91Å; L200-M303 HydrophobicContact CD2-SD 4.07Å; L200-M303 HydrophobicContact CG-SD 4.28Å; L200-K306 HydrophobicContact CD2-CB 3.34Å |
| 201 | N | 92.3 | Very high | 93.4 | Very high | 140 Ų | 140 | 39.5 Ų | 39.5 | 75% | 0.749 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 51.2 | 179.7 | -169.2 | 27.9 | 0 | 0 | 0 | 111.9 | V197 N198 W199 | V197-N201 PolarHBondContact O-N 2.96Å; V197-N201 VanDerWaalsContact O-N 3.16Å; N198-N201 PolarHBondContact O-N 3.22Å; W199-N201 VanDerWaalsContact C-N 3.3Å |
| 202 | L | 91.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | trans | -115.5 | 151.2 | 179.6 | -66.7 | 176.6 | 0 | 0 | 0 | 110.3 | L200 S204 D206 L207 | L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 HydrophobicContact CB-CD1 4.36Å; L200-L202 HydrophobicContact CB-CG 4.3Å; L200-L202 PolarHBondContact O-N 2.97Å; L202-S204 PolarHBondContact O-N 3.3Å; L202-D206 HydrophobicContact CB-CB 4.24Å; L202-L207 HydrophobicContact CB-CB 4.37Å | ||
| 203 | P | 91.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 40.6 Ų | 40.6 | 52% | 0.519 | 20% | 0.204 | S | C | . | . | trans | -52.6 | 141.4 | 161.8 | -22.3 | 33.4 | 0 | 0 | 0 | 110.3 | T205 D206 L207 | P203-T205 PolarHBondContact O-N 2.66Å; P203-T205 VanDerWaalsContact O-N 3.1Å; P203-D206 WeakPolarHBondContact CD-OD2 3.32Å; P203-D206 WeakPolarHBondContact CG-OD2 3.35Å; P203-D206 WeakPolarHBondContact O-CA 3.49Å; P203-D206 WeakPolarHBondContact O-CB 3.2Å; P203-D206 PolarHBondContact O-N 3.34Å; P203-L207 PolarHBondContact O-N 3.43Å | ||
| 204 | S | 91.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.7 | -36.9 | -175.4 | -59 | 0 | 0 | 0 | 0 | 113.5 | R71 L202 D206 L207 F208 | R71-S204 VanDerWaalsContact CD-OG 3.24Å; R71-S204 WeakPolarHBondContact CD-OG 3.39Å; R71-S204 PolarHBondContact NE-OG 2.89Å; R71-S204 VanDerWaalsContact NE-OG 3.16Å; R71-S204 PolarHBondContact NH1-OG 3.35Å; L202-S204 PolarHBondContact O-N 3.3Å; S204-D206 VanDerWaalsContact C-N 3.34Å; S204-D206 PolarHBondContact O-N 2.77Å; S204-L207 PolarHBondContact O-N 2.82Å; S204-F208 WeakPolarHBondContact O-CD2 3.47Å; S204-F208 WeakPolarHBondContact O-CG 3.48Å; S204-F208 PolarHBondContact O-N 3.35Å |
| 205 | T | 89.7 | Confident | 93.7 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.1 | -38 | 176.7 | -38.9 | 0 | 0 | 0 | 0 | 112.2 | L86 P203 R209 | L86-T205 HydrophobicContact CD2-CG2 3.72Å; P203-T205 PolarHBondContact O-N 2.66Å; P203-T205 VanDerWaalsContact O-N 3.1Å; T205-R209 VanDerWaalsContact CG2-NH2 3.26Å; T205-R209 VanDerWaalsContact O-CG 3.24Å; T205-R209 WeakPolarHBondContact O-CG 3.22Å; T205-R209 PolarHBondContact O-N 3.16Å |
| 206 | D | 90.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.7 | -33.5 | 176.1 | -67.9 | -23.7 | 0 | 0 | 0 | 111.8 | L202 P203 S204 R209 F210 | L202-D206 HydrophobicContact CB-CB 4.24Å; P203-D206 WeakPolarHBondContact CD-OD2 3.32Å; P203-D206 WeakPolarHBondContact CG-OD2 3.35Å; P203-D206 WeakPolarHBondContact O-CA 3.49Å; P203-D206 WeakPolarHBondContact O-CB 3.2Å; P203-D206 PolarHBondContact O-N 3.34Å; S204-D206 VanDerWaalsContact C-N 3.34Å; S204-D206 PolarHBondContact O-N 2.77Å; D206-R209 PolarHBondContact O-N 3Å; D206-R209 IonicContact OD1-CZ 2.97Å; D206-R209 IonicContact OD1-NH1 2.96Å; D206-R209 PolarHBondContact OD1-NH1 2.86Å; D206-F210 PolarHBondContact O-N 2.8Å |
| 207 | L | 93.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 174.7 | -162 | 164.5 | 0 | 0 | 0 | 111 | V192 V197 L200 L202 P203 S204 R209 F210 L211 L236 | V192-L207 HydrophobicContact CG2-CD2 4.45Å; V197-L207 HydrophobicContact CB-CD1 4.36Å; V197-L207 HydrophobicContact CG1-CD1 4.21Å; V197-L207 HydrophobicContact CG2-CD1 4.22Å; L200-L207 HydrophobicContact CB-CD1 4.4Å; L200-L207 HydrophobicContact CD1-CD1 3.8Å; L200-L207 HydrophobicContact CD1-CD2 4.31Å; L200-L207 HydrophobicContact CD1-CG 3.7Å; L202-L207 HydrophobicContact CB-CB 4.37Å; P203-L207 PolarHBondContact O-N 3.43Å; S204-L207 PolarHBondContact O-N 2.82Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.42Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.75Å; L207-F210 VanDerWaalsContact O-N 3.1Å; L207-L211 HydrophobicContact CD2-CD1 3.91Å; L207-L211 HydrophobicContact CD2-CG 4.04Å; L207-L211 PolarHBondContact O-N 2.75Å; L207-L236 HydrophobicContact CB-CD1 4.21Å; L207-L236 HydrophobicContact CD1-CD1 4.23Å; L207-L236 HydrophobicContact CD1-CD2 4.42Å; L207-L236 HydrophobicContact CD2-CD1 4.1Å; L207-L236 HydrophobicContact CD2-CD2 3.4Å; L207-L236 HydrophobicContact CD2-CG 4.39Å; L207-L236 HydrophobicContact CG-CD1 4.4Å; L207-L236 HydrophobicContact CG-CD2 4.43Å |
| 208 | F | 94.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 172.8 | -70.7 | -51.8 | 0 | 0 | 0 | 112.3 | Y69 R70 S204 F210 L211 L212 A234 L236 | Y69-F208 HydrophobicContact CD1-CB 4.07Å; Y69-F208 AromaticContact CD1-CD1 3.62Å; Y69-F208 HydrophobicContact CD1-CD1 3.62Å; Y69-F208 HydrophobicContact CD1-CD2 4.25Å; Y69-F208 HydrophobicContact CD1-CE1 4Å; Y69-F208 AromaticContact CD1-CG 3.75Å; Y69-F208 HydrophobicContact CD1-CG 3.75Å; Y69-F208 HydrophobicContact CD1-CZ 4.47Å; Y69-F208 HydrophobicContact CE1-CB 4.49Å; Y69-F208 HydrophobicContact CE1-CD1 4.43Å; R70-F208 WeakPolarHBondContact O-CZ 3.4Å; S204-F208 WeakPolarHBondContact O-CD2 3.47Å; S204-F208 WeakPolarHBondContact O-CG 3.48Å; S204-F208 PolarHBondContact O-N 3.35Å; F208-F210 VanDerWaalsContact C-N 3.35Å; F208-F210 PolarHBondContact O-N 2.84Å; F208-L211 HydrophobicContact CD1-CD1 4.33Å; F208-L211 PolarHBondContact O-N 3.09Å; F208-L212 WeakPolarHBondContact O-CG 3.39Å; F208-L212 PolarHBondContact O-N 3.28Å; F208-A234 HydrophobicContact CD1-CB 3.84Å; F208-A234 HydrophobicContact CE1-CB 3.72Å; F208-A234 WeakPolarHBondContact CE1-O 3.36Å; F208-L236 HydrophobicContact CD1-CD1 4.24Å; F208-L236 HydrophobicContact CD1-CD2 4.15Å; F208-L236 HydrophobicContact CD1-CG 4.19Å; F208-L236 HydrophobicContact CD2-CD1 4.3Å; F208-L236 HydrophobicContact CE1-CD1 3.86Å; F208-L236 HydrophobicContact CE1-CD2 3.75Å; F208-L236 HydrophobicContact CE1-CG 3.48Å; F208-L236 VanDerWaalsContact CE1-CG 3.48Å; F208-L236 HydrophobicContact CE2-CD1 3.9Å; F208-L236 HydrophobicContact CE2-CG 4.28Å; F208-L236 HydrophobicContact CG-CD1 4.46Å; F208-L236 HydrophobicContact CZ-CD1 3.68Å; F208-L236 HydrophobicContact CZ-CD2 4.33Å; F208-L236 HydrophobicContact CZ-CG 3.54Å |
| 209 | R | 93.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 28.7 Ų | 28.7 | 20% | 0.2 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 173.2 | -71.8 | 171.2 | -169.6 | 123.8 | 0.6 | 111.8 | Y90 T205 D206 L207 L211 L212 E213 | Y90-R209 WeakPolarHBondContact OH-CA 3.18Å; Y90-R209 PolarHBondContact OH-O 3.43Å; T205-R209 VanDerWaalsContact CG2-NH2 3.26Å; T205-R209 VanDerWaalsContact O-CG 3.24Å; T205-R209 WeakPolarHBondContact O-CG 3.22Å; T205-R209 PolarHBondContact O-N 3.16Å; D206-R209 PolarHBondContact O-N 3Å; D206-R209 IonicContact OD1-CZ 2.97Å; D206-R209 IonicContact OD1-NH1 2.96Å; D206-R209 PolarHBondContact OD1-NH1 2.86Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.42Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.26Å; R209-L212 WeakPolarHBondContact O-CB 3.2Å; R209-L212 PolarHBondContact O-N 3.04Å; R209-L212 VanDerWaalsContact O-N 3.14Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.26Å |
| 210 | F | 94.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.2 | -175.7 | -95.2 | 0 | 0 | 0 | 112.7 | D206 L207 F208 E213 C214 M303 P309 | D206-F210 PolarHBondContact O-N 2.8Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.75Å; L207-F210 VanDerWaalsContact O-N 3.1Å; F208-F210 VanDerWaalsContact C-N 3.35Å; F208-F210 PolarHBondContact O-N 2.84Å; F210-E213 WeakPolarHBondContact O-CB 3.27Å; F210-E213 PolarHBondContact O-N 2.78Å; F210-C214 PolarHBondContact O-N 2.68Å; F210-C214 VanDerWaalsContact O-N 3.08Å; F210-C214 PolarHBondContact O-SG 3.29Å; F210-M303 HydrophobicContact CD1-CE 4.29Å; F210-M303 HydrophobicContact CE1-CE 3.86Å; F210-M303 HydrophobicContact CE1-SD 4.14Å; F210-P309 HydrophobicContact CE2-CB 4.15Å; F210-P309 HydrophobicContact CZ-CB 4.21Å |
| 211 | L | 96.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 174 | -63 | 174 | 0 | 0 | 0 | 111.7 | I190 V192 L207 F208 R209 E213 C214 V215 L236 M303 | I190-L211 HydrophobicContact CD1-CB 4.43Å; I190-L211 HydrophobicContact CG2-CD1 4.12Å; I190-L211 HydrophobicContact CG2-CD2 4.29Å; V192-L211 HydrophobicContact CG2-CD1 3.71Å; V192-L211 HydrophobicContact CG2-CD2 4.21Å; L207-L211 HydrophobicContact CD2-CD1 3.91Å; L207-L211 HydrophobicContact CD2-CG 4.04Å; L207-L211 PolarHBondContact O-N 2.75Å; F208-L211 HydrophobicContact CD1-CD1 4.33Å; F208-L211 PolarHBondContact O-N 3.09Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.26Å; L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.34Å; L211-C214 WeakPolarHBondContact O-CA 3.03Å; L211-C214 VanDerWaalsContact O-CB 3.29Å; L211-C214 WeakPolarHBondContact O-CB 3.5Å; L211-C214 PolarHBondContact O-N 3.47Å; L211-V215 WeakPolarHBondContact O-CG2 3.38Å; L211-V215 PolarHBondContact O-N 3.11Å; L211-L236 HydrophobicContact CD1-CD2 4.27Å; L211-M303 HydrophobicContact CD2-CE 4.26Å |
| 212 | L | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 176.1 | -72.6 | 167.1 | 0 | 0 | 0 | 112.3 | L62 I63 Y69 L86 Y90 F208 R209 C214 V215 N216 V231 | L62-L212 HydrophobicContact CD1-CD2 4.45Å; L62-L212 HydrophobicContact CD2-CB 4.44Å; L62-L212 HydrophobicContact CD2-CD2 4.34Å; L62-L212 HydrophobicContact CG-CD2 4.06Å; I63-L212 HydrophobicContact CD1-CD1 3.74Å; I63-L212 HydrophobicContact CD1-CD2 4.19Å; I63-L212 HydrophobicContact CG1-CD1 4.17Å; I63-L212 HydrophobicContact CG1-CD2 3.72Å; Y69-L212 HydrophobicContact CE1-CD1 4.3Å; L86-L212 HydrophobicContact CD1-CD1 3.93Å; Y90-L212 HydrophobicContact CE1-CB 3.77Å; Y90-L212 HydrophobicContact CE2-CB 4.01Å; Y90-L212 HydrophobicContact CE2-CD1 4.13Å; Y90-L212 VanDerWaalsContact CZ-CB 3.46Å; Y90-L212 WeakPolarHBondContact OH-CB 3.4Å; F208-L212 WeakPolarHBondContact O-CG 3.39Å; F208-L212 PolarHBondContact O-N 3.28Å; R209-L212 WeakPolarHBondContact O-CB 3.2Å; R209-L212 PolarHBondContact O-N 3.04Å; R209-L212 VanDerWaalsContact O-N 3.14Å; L212-C214 VanDerWaalsContact C-N 3.31Å; L212-C214 PolarHBondContact O-N 3.3Å; L212-V215 PolarHBondContact O-N 2.96Å; L212-N216 WeakPolarHBondContact O-CB 3.47Å; L212-N216 PolarHBondContact O-N 2.81Å; L212-V231 HydrophobicContact CD2-CB 4.06Å; L212-V231 HydrophobicContact CD2-CG2 3.87Å |
| 213 | E | 95.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 19.4 Ų | 19.4 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 169.7 | -66.4 | -179.5 | 178.1 | 0 | 0 | 111.5 | Y90 S106 R112 R209 F210 L211 N216 I217 P309 | Y90-E213 HydrophobicContact CD1-CG 4.24Å; Y90-E213 HydrophobicContact CE1-CG 3.67Å; S106-E213 VanDerWaalsContact CB-OE1 3.3Å; S106-E213 WeakPolarHBondContact CB-OE1 3.29Å; S106-E213 PolarHBondContact OG-OE1 2.78Å; R112-E213 WeakPolarHBondContact CD-OE2 3.35Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.26Å; F210-E213 WeakPolarHBondContact O-CB 3.27Å; F210-E213 PolarHBondContact O-N 2.78Å; L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.34Å; E213-N216 PolarHBondContact O-N 3.03Å; E213-I217 WeakPolarHBondContact O-CG1 3.23Å; E213-I217 PolarHBondContact O-N 2.77Å; E213-P309 HydrophobicContact CB-CB 4.18Å; E213-P309 HydrophobicContact CB-CG 4.21Å |
| 214 | C | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | F210 L211 L212 I217 V218 P309 S313 M316 | F210-C214 PolarHBondContact O-N 2.68Å; F210-C214 VanDerWaalsContact O-N 3.08Å; F210-C214 PolarHBondContact O-SG 3.29Å; L211-C214 WeakPolarHBondContact O-CA 3.03Å; L211-C214 VanDerWaalsContact O-CB 3.29Å; L211-C214 WeakPolarHBondContact O-CB 3.5Å; L211-C214 PolarHBondContact O-N 3.47Å; L212-C214 VanDerWaalsContact C-N 3.31Å; L212-C214 PolarHBondContact O-N 3.3Å; C214-I217 PolarHBondContact O-N 2.86Å; C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.37Å; C214-V218 PolarHBondContact O-N 2.83Å; C214-V218 VanDerWaalsContact O-N 3.11Å; C214-P309 HydrophobicContact CB-CB 4.44Å; C214-P309 WeakPolarHBondContact SG-CB 3.36Å; C214-S313 WeakPolarHBondContact CA-OG 3.33Å; C214-S313 WeakPolarHBondContact O-CB 3.38Å; C214-S313 PolarHBondContact O-OG 3.34Å; C214-M316 HydrophobicContact CB-SD 3.71Å |
| 215 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.8 | -32 | -178.6 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | L62 L188 I190 L211 L212 I217 V218 D219 V229 V231 M316 | L62-V215 HydrophobicContact CD1-CB 3.86Å; L62-V215 HydrophobicContact CD1-CG1 3.61Å; L188-V215 HydrophobicContact CD2-CG1 4.34Å; L188-V215 HydrophobicContact CD2-CG2 3.87Å; I190-V215 HydrophobicContact CD1-CG2 3.68Å; L211-V215 WeakPolarHBondContact O-CG2 3.38Å; L211-V215 PolarHBondContact O-N 3.11Å; L212-V215 PolarHBondContact O-N 2.96Å; V215-I217 PolarHBondContact O-N 3.05Å; V215-V218 WeakPolarHBondContact O-CB 3.39Å; V215-V218 PolarHBondContact O-N 2.83Å; V215-V218 VanDerWaalsContact O-N 3.09Å; V215-D219 WeakPolarHBondContact O-CB 3.43Å; V215-D219 PolarHBondContact O-N 2.87Å; V215-V229 HydrophobicContact CG1-CB 4.38Å; V215-V229 HydrophobicContact CG1-CG1 3.9Å; V215-V231 HydrophobicContact CB-CG2 3.88Å; V215-V231 HydrophobicContact CG1-CG2 3.79Å; V215-V231 HydrophobicContact CG2-CG2 3.67Å; V215-M316 HydrophobicContact CG2-CE 3.59Å |
| 216 | N | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 173.2 | -173.6 | 48.9 | 0 | 0 | 0 | 112.2 | N59 L62 Y90 Y91 Q92 L105 L212 E213 L220 | N59-N216 PolarHBondContact ND2-OD1 2.64Å; L62-N216 HydrophobicContact CD2-CB 3.95Å; Y90-N216 HydrophobicContact CD1-CB 4.39Å; Y91-N216 PolarHBondContact O-ND2 2.78Å; Q92-N216 WeakPolarHBondContact CG-OD1 3.27Å; Q92-N216 PolarHBondContact NE2-O 2.94Å; Q92-N216 PolarHBondContact NE2-OD1 2.75Å; L105-N216 PolarHBondContact O-ND2 2.85Å; L212-N216 WeakPolarHBondContact O-CB 3.47Å; L212-N216 PolarHBondContact O-N 2.81Å; E213-N216 PolarHBondContact O-N 3.03Å; N216-L220 PolarHBondContact O-N 2.78Å |
| 217 | I | 97 | Very high | 95.4 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.036 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74.7 | -41.5 | 174 | -61.6 | 167.5 | 0 | 0 | 0 | 110.5 | A104 E213 C214 V215 L220 M221 P309 F310 S313 | A104-I217 HydrophobicContact CB-CG1 3.76Å; E213-I217 WeakPolarHBondContact O-CG1 3.23Å; E213-I217 PolarHBondContact O-N 2.77Å; C214-I217 PolarHBondContact O-N 2.86Å; V215-I217 PolarHBondContact O-N 3.05Å; I217-L220 WeakPolarHBondContact O-CB 3.33Å; I217-L220 PolarHBondContact O-N 2.96Å; I217-M221 HydrophobicContact CG2-CE 3.71Å; I217-M221 WeakPolarHBondContact O-CG 3.09Å; I217-M221 PolarHBondContact O-N 3.23Å; I217-P309 HydrophobicContact CD1-CB 4.27Å; I217-P309 HydrophobicContact CD1-CG 4.1Å; I217-F310 HydrophobicContact CD1-CB 4.26Å; I217-F310 HydrophobicContact CD1-CD2 4.28Å; I217-F310 HydrophobicContact CG2-CD2 3.92Å; I217-F310 HydrophobicContact CG2-CE2 4.15Å; I217-S313 WeakPolarHBondContact CB-OG 3.11Å |
| 218 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | C214 V215 L220 M221 F222 V229 S313 M316 A317 I320 | C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.37Å; C214-V218 PolarHBondContact O-N 2.83Å; C214-V218 VanDerWaalsContact O-N 3.11Å; V215-V218 WeakPolarHBondContact O-CB 3.39Å; V215-V218 PolarHBondContact O-N 2.83Å; V215-V218 VanDerWaalsContact O-N 3.09Å; V218-L220 VanDerWaalsContact C-N 3.3Å; V218-L220 PolarHBondContact O-N 2.87Å; V218-M221 WeakPolarHBondContact O-CB 3.47Å; V218-M221 PolarHBondContact O-N 2.93Å; V218-F222 HydrophobicContact CG1-CD2 3.56Å; V218-F222 HydrophobicContact CG1-CE2 3.63Å; V218-F222 VanDerWaalsContact O-CD2 3.31Å; V218-F222 WeakPolarHBondContact O-CD2 3.46Å; V218-F222 PolarHBondContact O-N 3.2Å; V218-V229 HydrophobicContact CG1-CG1 4.42Å; V218-V229 HydrophobicContact CG1-CG2 4.3Å; V218-S313 WeakPolarHBondContact CG2-O 3.48Å; V218-M316 HydrophobicContact CG2-CB 3.67Å; V218-M316 HydrophobicContact CG2-SD 4.36Å; V218-A317 HydrophobicContact CG1-CB 4.48Å; V218-I320 HydrophobicContact CG1-CD1 3.94Å |
| 219 | D | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.1 | -45.5 | 175.5 | 178.1 | 59.2 | 0 | 0 | 0 | 111.1 | N59 Q92 V215 M221 F222 Q223 R228 V229 | N59-D219 PolarHBondContact ND2-OD2 2.77Å; Q92-D219 PolarHBondContact NE2-OD2 3.48Å; Q92-D219 PolarHBondContact OE1-OD2 2.81Å; V215-D219 WeakPolarHBondContact O-CB 3.43Å; V215-D219 PolarHBondContact O-N 2.87Å; D219-M221 VanDerWaalsContact C-N 3.32Å; D219-M221 PolarHBondContact O-N 3.23Å; D219-F222 PolarHBondContact O-N 3.39Å; D219-Q223 WeakPolarHBondContact O-CG 3.28Å; D219-Q223 PolarHBondContact O-N 2.87Å; D219-Q223 PolarHBondContact OD2-NE2 3.29Å; D219-R228 WeakPolarHBondContact OD1-CA 3.44Å; D219-R228 IonicContact OD1-NE 3.24Å; D219-R228 PolarHBondContact OD1-NE 3.39Å; D219-R228 VanDerWaalsContact OD1-NE 3.13Å; D219-R228 IonicContact OD2-CZ 3.47Å; D219-R228 IonicContact OD2-NE 2.74Å; D219-R228 PolarHBondContact OD2-NE 2.82Å; D219-R228 IonicContact OD2-NH2 2.8Å; D219-V229 HydrophobicContact CB-CB 4.25Å; D219-V229 PolarHBondContact OD1-N 2.89Å |
| 220 | L | 96.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 9% | 0.089 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.4 | -174.3 | 58.5 | 0 | 0 | 0 | 112.9 | Q92 Q102 V103 A104 N216 I217 V218 | Q92-L220 HydrophobicContact CB-CD1 4.38Å; Q92-L220 HydrophobicContact CG-CB 4.34Å; Q92-L220 HydrophobicContact CG-CD1 4.44Å; Q102-L220 HydrophobicContact CB-CD2 3.93Å; Q102-L220 HydrophobicContact CB-CG 4.38Å; V103-L220 WeakPolarHBondContact O-CD2 3.18Å; A104-L220 HydrophobicContact CB-CD2 3.84Å; N216-L220 PolarHBondContact O-N 2.78Å; I217-L220 WeakPolarHBondContact O-CB 3.33Å; I217-L220 PolarHBondContact O-N 2.96Å; V218-L220 VanDerWaalsContact C-N 3.3Å; V218-L220 PolarHBondContact O-N 2.87Å |
| 221 | M | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.015 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.6 | -69 | 173.1 | 178.7 | 0 | 0 | 111.3 | I217 V218 D219 Q224 F310 V314 A317 I344 F363 | I217-M221 HydrophobicContact CG2-CE 3.71Å; I217-M221 WeakPolarHBondContact O-CG 3.09Å; I217-M221 PolarHBondContact O-N 3.23Å; V218-M221 WeakPolarHBondContact O-CB 3.47Å; V218-M221 PolarHBondContact O-N 2.93Å; D219-M221 VanDerWaalsContact C-N 3.32Å; D219-M221 PolarHBondContact O-N 3.23Å; M221-Q224 WeakPolarHBondContact O-CB 3.38Å; M221-Q224 WeakPolarHBondContact O-CG 3.49Å; M221-Q224 PolarHBondContact O-N 3.13Å; M221-Q224 PolarHBondContact O-NE2 2.78Å; M221-Q224 VanDerWaalsContact O-NE2 3.14Å; M221-F310 HydrophobicContact CE-CE2 4.02Å; M221-F310 HydrophobicContact CE-CZ 3.97Å; M221-V314 HydrophobicContact CE-CG2 3.71Å; M221-A317 HydrophobicContact SD-CB 3.8Å; M221-I344 HydrophobicContact CB-CD1 4.13Å; M221-I344 HydrophobicContact CG-CD1 4.27Å; M221-I344 HydrophobicContact SD-CD1 4.08Å; M221-F363 HydrophobicContact CB-CE2 4.47Å |
| 222 | F | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -75.3 | -18.6 | -177.4 | -87 | -66.6 | 0 | 0 | 0 | 114.7 | V218 D219 Q224 L225 I227 V229 A317 I320 L324 M326 F363 | V218-F222 HydrophobicContact CG1-CD2 3.56Å; V218-F222 HydrophobicContact CG1-CE2 3.63Å; V218-F222 VanDerWaalsContact O-CD2 3.31Å; V218-F222 WeakPolarHBondContact O-CD2 3.46Å; V218-F222 PolarHBondContact O-N 3.2Å; D219-F222 PolarHBondContact O-N 3.39Å; F222-Q224 PolarHBondContact O-N 2.78Å; F222-Q224 VanDerWaalsContact O-N 3.12Å; F222-L225 HydrophobicContact CD1-CD1 4.35Å; F222-L225 WeakPolarHBondContact O-CA 3.23Å; F222-L225 PolarHBondContact O-N 2.84Å; F222-I227 CarbonylContact C-O 3.48Å; F222-I227 VanDerWaalsContact C-O 3.22Å; F222-I227 HydrophobicContact CB-CB 4.05Å; F222-I227 HydrophobicContact CB-CG2 4.28Å; F222-I227 HydrophobicContact CD1-CB 4.41Å; F222-I227 HydrophobicContact CD1-CD1 3.99Å; F222-I227 PolarHBondContact O-N 3.38Å; F222-V229 HydrophobicContact CB-CG2 4.01Å; F222-V229 HydrophobicContact CD2-CG2 3.68Å; F222-V229 HydrophobicContact CE2-CG2 4.45Å; F222-V229 HydrophobicContact CG-CG2 4.03Å; F222-A317 HydrophobicContact CE2-CB 4.11Å; F222-A317 WeakPolarHBondContact CZ-O 3.4Å; F222-I320 HydrophobicContact CE1-CG2 4.21Å; F222-I320 HydrophobicContact CE2-CB 3.89Å; F222-I320 HydrophobicContact CE2-CD1 4.23Å; F222-I320 HydrophobicContact CE2-CG2 3.73Å; F222-I320 HydrophobicContact CZ-CB 3.69Å; F222-I320 HydrophobicContact CZ-CG2 3.41Å; F222-I320 VanDerWaalsContact CZ-CG2 3.41Å; F222-L324 HydrophobicContact CD1-CD1 4.29Å; F222-L324 HydrophobicContact CE1-CD1 3.59Å; F222-L324 HydrophobicContact CZ-CD1 4.13Å; F222-M326 HydrophobicContact CE1-CE 4.33Å; F222-F363 AromaticContact CD1-CE2 3.76Å; F222-F363 HydrophobicContact CD1-CE2 3.76Å; F222-F363 AromaticContact CD1-CZ 3.97Å; F222-F363 HydrophobicContact CD1-CZ 3.97Å; F222-F363 HydrophobicContact CE1-CE1 4.32Å; F222-F363 AromaticContact CE1-CE2 3.74Å; F222-F363 HydrophobicContact CE1-CE2 3.74Å; F222-F363 AromaticContact CE1-CZ 3.43Å; F222-F363 HydrophobicContact CE1-CZ 3.43Å; F222-F363 VanDerWaalsContact CE1-CZ 3.43Å; F222-F363 HydrophobicContact CE2-CZ 4.29Å; F222-F363 HydrophobicContact CG-CE2 4.21Å; F222-F363 HydrophobicContact CZ-CE2 4.18Å; F222-F363 AromaticContact CZ-CZ 3.61Å; F222-F363 HydrophobicContact CZ-CZ 3.61Å |
| 223 | Q | 94 | Very high | 95.8 | Very high | 75 Ų | 75 | 14.6 Ų | 14.6 | 35% | 0.35 | 7% | 0.069 | S | C | . | . | G | 310 helix | trans | -58.1 | -24.5 | 171.2 | -77.1 | 173.9 | 34.6 | 0 | 0 | 113.1 | D219 L225 N226 I227 | D219-Q223 WeakPolarHBondContact O-CG 3.28Å; D219-Q223 PolarHBondContact O-N 2.87Å; D219-Q223 PolarHBondContact OD2-NE2 3.29Å; Q223-L225 PolarHBondContact O-N 3.24Å; Q223-L225 VanDerWaalsContact O-N 3.17Å; Q223-N226 PolarHBondContact O-N 2.79Å; Q223-I227 PolarHBondContact N-O 2.78Å |
| 224 | Q | 90.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 13.6 Ų | 13.6 | 27% | 0.271 | 7% | 0.065 | S | C | . | . | G | 310 helix | trans | -59.8 | -23.4 | 172.1 | -64.4 | 172.1 | 61.3 | 0 | 0 | 113 | M221 F222 | M221-Q224 WeakPolarHBondContact O-CB 3.38Å; M221-Q224 WeakPolarHBondContact O-CG 3.49Å; M221-Q224 PolarHBondContact O-N 3.13Å; M221-Q224 PolarHBondContact O-NE2 2.78Å; M221-Q224 VanDerWaalsContact O-NE2 3.14Å; F222-Q224 PolarHBondContact O-N 2.78Å; F222-Q224 VanDerWaalsContact O-N 3.12Å |
| 225 | L | 92.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 9% | 0.089 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -108.6 | 12.9 | 178.9 | -60.6 | 177.2 | 0 | 0 | 0 | 112.5 | F222 Q223 I227 M326 F363 R368 | F222-L225 HydrophobicContact CD1-CD1 4.35Å; F222-L225 WeakPolarHBondContact O-CA 3.23Å; F222-L225 PolarHBondContact O-N 2.84Å; Q223-L225 PolarHBondContact O-N 3.24Å; Q223-L225 VanDerWaalsContact O-N 3.17Å; L225-I227 VanDerWaalsContact C-N 3.27Å; L225-I227 HydrophobicContact CB-CD1 3.92Å; L225-I227 HydrophobicContact CB-CG1 4.11Å; L225-I227 HydrophobicContact CD1-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.26Å; L225-M326 HydrophobicContact CD1-CE 3.25Å; L225-M326 HydrophobicContact CD1-SD 4.26Å; L225-F363 HydrophobicContact CD1-CB 4.19Å; L225-F363 HydrophobicContact CD1-CD1 4.29Å; L225-F363 HydrophobicContact CD1-CD2 3.77Å; L225-F363 HydrophobicContact CD1-CE2 4.2Å; L225-F363 HydrophobicContact CD1-CG 3.82Å; L225-F363 HydrophobicContact CD2-CB 4.34Å; L225-F363 HydrophobicContact CG-CB 4.35Å; L225-F363 HydrophobicContact CG-CD2 4.14Å; L225-F363 HydrophobicContact CG-CG 4.35Å; L225-R368 HydrophobicContact CD2-CB 3.67Å; L225-R368 HydrophobicContact CD2-CG 3.81Å |
| 226 | N | 91.2 | Very high | 95.6 | Very high | 46 Ų | 46 | 13.7 Ų | 13.7 | 25% | 0.246 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 38.9 | -174.4 | -162.8 | 18.9 | 0 | 0 | 0 | 112.8 | E180 V181 E182 T183 K184 Q223 | E180-N226 PolarHBondContact O-ND2 2.9Å; V181-N226 PolarHBondContact O-ND2 3.05Å; E182-N226 VanDerWaalsContact C-ND2 3.28Å; E182-N226 PolarHBondContact O-ND2 3.03Å; T183-N226 WeakPolarHBondContact CA-O 3.4Å; T183-N226 WeakPolarHBondContact CA-OD1 3.34Å; T183-N226 PolarHBondContact N-ND2 3.49Å; T183-N226 PolarHBondContact OG1-OD1 2.93Å; K184-N226 PolarHBondContact N-O 3.32Å; Q223-N226 PolarHBondContact O-N 2.79Å |
| 227 | I | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.9 | 177.7 | -56.6 | 171.2 | 0 | 0 | 0 | 108.7 | K184 V186 F222 Q223 L225 V229 L324 F371 | K184-I227 HydrophobicContact CB-CG1 4.08Å; K184-I227 HydrophobicContact CD-CG1 4.32Å; K184-I227 CarbonylContact O-C 3.54Å; K184-I227 WeakPolarHBondContact O-CA 3.3Å; V186-I227 HydrophobicContact CG2-CG2 3.61Å; F222-I227 CarbonylContact C-O 3.48Å; F222-I227 VanDerWaalsContact C-O 3.22Å; F222-I227 HydrophobicContact CB-CB 4.05Å; F222-I227 HydrophobicContact CB-CG2 4.28Å; F222-I227 HydrophobicContact CD1-CB 4.41Å; F222-I227 HydrophobicContact CD1-CD1 3.99Å; F222-I227 PolarHBondContact O-N 3.38Å; Q223-I227 PolarHBondContact N-O 2.78Å; L225-I227 VanDerWaalsContact C-N 3.27Å; L225-I227 HydrophobicContact CB-CD1 3.92Å; L225-I227 HydrophobicContact CB-CG1 4.11Å; L225-I227 HydrophobicContact CD1-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.26Å; I227-V229 HydrophobicContact CG2-CG2 4.43Å; I227-L324 HydrophobicContact CD1-CD1 3.92Å; I227-F371 HydrophobicContact CD1-CD1 4.25Å; I227-F371 HydrophobicContact CD1-CE1 3.51Å; I227-F371 HydrophobicContact CD1-CE2 4.06Å; I227-F371 HydrophobicContact CD1-CZ 3.37Å; I227-F371 HydrophobicContact CG1-CE1 4.01Å; I227-F371 HydrophobicContact CG1-CZ 3.97Å |
| 228 | R | 95.8 | Very high | 95.2 | Very high | 48 Ų | 48 | 14.7 Ų | 14.7 | 18% | 0.181 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.5 | 169.3 | -60.1 | -62 | -63.1 | -78.5 | 0.1 | 110.1 | N59 D60 V61 T183 K184 F185 V186 D219 | N59-R228 PolarHBondContact OD1-NH2 2.99Å; D60-R228 IonicContact OD1-NH2 3.96Å; V61-R228 HydrophobicContact CG1-CB 3.99Å; T183-R228 HydrophobicContact CG2-CG 3.75Å; K184-R228 PolarHBondContact O-N 2.86Å; F185-R228 CarbonylContact C-O 3.21Å; F185-R228 VanDerWaalsContact CA-O 3.28Å; F185-R228 WeakPolarHBondContact CA-O 3.43Å; F185-R228 HydrophobicContact CD1-CB 3.79Å; F185-R228 HydrophobicContact CD1-CG 4.48Å; F185-R228 HydrophobicContact CE1-CB 3.94Å; F185-R228 HydrophobicContact CE1-CG 4.17Å; V186-R228 PolarHBondContact N-O 3.11Å; D219-R228 WeakPolarHBondContact OD1-CA 3.44Å; D219-R228 IonicContact OD1-NE 3.24Å; D219-R228 PolarHBondContact OD1-NE 3.39Å; D219-R228 VanDerWaalsContact OD1-NE 3.13Å; D219-R228 IonicContact OD2-CZ 3.47Å; D219-R228 IonicContact OD2-NE 2.74Å; D219-R228 PolarHBondContact OD2-NE 2.82Å; D219-R228 IonicContact OD2-NH2 2.8Å |
| 229 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.4 | -176.2 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | V186 L188 V215 V218 D219 F222 I227 | V186-V229 HydrophobicContact CB-CG1 4.39Å; V186-V229 HydrophobicContact CB-CG2 4.27Å; V186-V229 HydrophobicContact CG1-CG1 4.43Å; L188-V229 HydrophobicContact CB-CG1 4.11Å; L188-V229 HydrophobicContact CD2-CG1 4.12Å; V215-V229 HydrophobicContact CG1-CB 4.38Å; V215-V229 HydrophobicContact CG1-CG1 3.9Å; V218-V229 HydrophobicContact CG1-CG1 4.42Å; V218-V229 HydrophobicContact CG1-CG2 4.3Å; D219-V229 HydrophobicContact CB-CB 4.25Å; D219-V229 PolarHBondContact OD1-N 2.89Å; F222-V229 HydrophobicContact CB-CG2 4.01Å; F222-V229 HydrophobicContact CD2-CG2 3.68Å; F222-V229 HydrophobicContact CE2-CG2 4.45Å; F222-V229 HydrophobicContact CG-CG2 4.03Å; I227-V229 HydrophobicContact CG2-CG2 4.43Å |
| 230 | S | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.2 | -174.1 | -46.2 | 0 | 0 | 0 | 0 | 110.8 | V61 V186 L188 V232 P387 | V61-S230 WeakPolarHBondContact CG1-OG 3.35Å; V61-S230 WeakPolarHBondContact O-CB 3.28Å; V61-S230 PolarHBondContact O-OG 3.15Å; V61-S230 VanDerWaalsContact O-OG 3.1Å; V186-S230 PolarHBondContact O-N 3.46Å; L188-S230 WeakPolarHBondContact CB-O 3.47Å; L188-S230 PolarHBondContact N-O 3.49Å; S230-V232 PolarHBondContact O-N 3.33Å; S230-P387 WeakPolarHBondContact OG-CG 3.45Å |
| 231 | V | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 103 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | L62 P64 A67 Y69 L188 I190 L212 V215 A234 | L62-V231 PolarHBondContact O-N 3.16Å; P64-V231 WeakPolarHBondContact CD-O 3.42Å; A67-V231 VanDerWaalsContact CB-O 3.23Å; A67-V231 WeakPolarHBondContact CB-O 3.16Å; Y69-V231 HydrophobicContact CE1-CG1 4.34Å; L188-V231 WeakPolarHBondContact O-CA 3.47Å; I190-V231 HydrophobicContact CD1-CG1 4.45Å; I190-V231 HydrophobicContact CD1-CG2 4.21Å; L212-V231 HydrophobicContact CD2-CB 4.06Å; L212-V231 HydrophobicContact CD2-CG2 3.87Å; V215-V231 HydrophobicContact CB-CG2 3.88Å; V215-V231 HydrophobicContact CG1-CG2 3.79Å; V215-V231 HydrophobicContact CG2-CG2 3.67Å; V231-A234 HydrophobicContact CG1-CB 4.11Å |
| 232 | V | 94.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -27.6 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | P64 A67 R68 E187 L188 S230 H269 P387 L388 | P64-V232 HydrophobicContact CG-CG1 4.4Å; A67-V232 CarbonylContact C-O 3.58Å; A67-V232 VanDerWaalsContact CA-O 3.24Å; A67-V232 WeakPolarHBondContact CA-O 3.47Å; R68-V232 PolarHBondContact N-O 3.17Å; E187-V232 HydrophobicContact CB-CB 4.47Å; E187-V232 HydrophobicContact CB-CG1 3.71Å; E187-V232 HydrophobicContact CB-CG2 3.92Å; E187-V232 HydrophobicContact CG-CG1 3.86Å; L188-V232 PolarHBondContact O-N 3.35Å; S230-V232 PolarHBondContact O-N 3.33Å; V232-H269 HydrophobicContact CG2-CB 4.16Å; V232-P387 HydrophobicContact CG1-CB 4.23Å; V232-L388 HydrophobicContact CB-CD2 3.96Å; V232-L388 HydrophobicContact CB-CG 4.32Å; V232-L388 HydrophobicContact CG1-CD2 3.94Å; V232-L388 HydrophobicContact CG1-CG 3.93Å |
| 233 | H | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 136.3 | 178.6 | 180 | 81.9 | 0 | 0 | 0 | 111 | R68 S189 I190 F191 E235 L267 | R68-H233 PolarHBondContact NH2-CE1 3.5Å; R68-H233 PolarHBondContact NH2-ND1 2.71Å; R68-H233 CarbonylContact O-C 3.57Å; R68-H233 VanDerWaalsContact O-CA 3.28Å; R68-H233 WeakPolarHBondContact O-CA 3.06Å; S189-H233 CarbonylContact C-O 3.54Å; S189-H233 VanDerWaalsContact CA-O 3.26Å; S189-H233 WeakPolarHBondContact CA-O 3.27Å; I190-H233 PolarHBondContact N-O 3.32Å; F191-H233 AromaticContact CE1-NE2 3.77Å; F191-H233 AromaticContact CZ-CD2 3.83Å; F191-H233 AromaticContact CZ-NE2 3.92Å; H233-E235 IonicContact CE1-OE2 3.09Å; H233-E235 IonicContact NE2-OE2 3.42Å; H233-E235 PolarHBondContact NE2-OE2 3.32Å; H233-L267 HydrophobicContact CB-CD2 4.47Å |
| 234 | A | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R68 Y69 R70 I190 F208 V231 | R68-A234 PolarHBondContact O-N 2.67Å; Y69-A234 CarbonylContact C-O 3.49Å; Y69-A234 WeakPolarHBondContact CA-O 3.33Å; Y69-A234 HydrophobicContact CD1-CB 3.79Å; Y69-A234 HydrophobicContact CE1-CB 4.01Å; R70-A234 PolarHBondContact N-O 2.88Å; I190-A234 CarbonylContact O-C 3.58Å; I190-A234 VanDerWaalsContact O-CA 3.23Å; I190-A234 WeakPolarHBondContact O-CA 3.47Å; F208-A234 HydrophobicContact CD1-CB 3.84Å; F208-A234 HydrophobicContact CE1-CB 3.72Å; F208-A234 WeakPolarHBondContact CE1-O 3.36Å; V231-A234 HydrophobicContact CG1-CB 4.11Å |
| 235 | E | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.9 | -176 | -172.4 | 171.7 | 120.7 | 0 | 0 | 112 | R70 F72 I190 F191 V192 H233 W237 R242 | R70-E235 HydrophobicContact CB-CB 4.28Å; R70-E235 HydrophobicContact CB-CG 3.96Å; R70-E235 CarbonylContact O-C 3.57Å; R70-E235 WeakPolarHBondContact O-CA 3.37Å; F72-E235 HydrophobicContact CB-CG 4.17Å; I190-E235 PolarHBondContact O-N 3.21Å; F191-E235 CarbonylContact C-O 3.41Å; F191-E235 WeakPolarHBondContact CA-O 3.43Å; F191-E235 HydrophobicContact CD1-CB 3.85Å; F191-E235 HydrophobicContact CD1-CG 4.44Å; F191-E235 HydrophobicContact CE1-CB 4.14Å; V192-E235 PolarHBondContact N-O 3.07Å; H233-E235 IonicContact CE1-OE2 3.09Å; H233-E235 IonicContact NE2-OE2 3.42Å; H233-E235 PolarHBondContact NE2-OE2 3.32Å; E235-W237 PolarHBondContact OE1-NE1 3.48Å; E235-R242 WeakPolarHBondContact OE1-CD 3.39Å; E235-R242 IonicContact OE1-NH1 2.75Å; E235-R242 IonicContact OE2-NH1 2.88Å |
| 236 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.5 | 176.4 | -48.7 | -179 | 0 | 0 | 0 | 109.5 | R70 F72 V192 V197 L207 F208 L211 V238 | R70-L236 PolarHBondContact O-N 2.82Å; F72-L236 PolarHBondContact N-O 2.96Å; V192-L236 HydrophobicContact CB-CD2 3.75Å; V192-L236 HydrophobicContact CG1-CD2 4.46Å; V192-L236 HydrophobicContact CG2-CD2 3.63Å; V197-L236 HydrophobicContact CG2-CB 4.1Å; L207-L236 HydrophobicContact CB-CD1 4.21Å; L207-L236 HydrophobicContact CD1-CD1 4.23Å; L207-L236 HydrophobicContact CD1-CD2 4.42Å; L207-L236 HydrophobicContact CD2-CD1 4.1Å; L207-L236 HydrophobicContact CD2-CD2 3.4Å; L207-L236 HydrophobicContact CD2-CG 4.39Å; L207-L236 HydrophobicContact CG-CD1 4.4Å; L207-L236 HydrophobicContact CG-CD2 4.43Å; F208-L236 HydrophobicContact CD1-CD1 4.24Å; F208-L236 HydrophobicContact CD1-CD2 4.15Å; F208-L236 HydrophobicContact CD1-CG 4.19Å; F208-L236 HydrophobicContact CD2-CD1 4.3Å; F208-L236 HydrophobicContact CE1-CD1 3.86Å; F208-L236 HydrophobicContact CE1-CD2 3.75Å; F208-L236 HydrophobicContact CE1-CG 3.48Å; F208-L236 VanDerWaalsContact CE1-CG 3.48Å; F208-L236 HydrophobicContact CE2-CD1 3.9Å; F208-L236 HydrophobicContact CE2-CG 4.28Å; F208-L236 HydrophobicContact CG-CD1 4.46Å; F208-L236 HydrophobicContact CZ-CD1 3.68Å; F208-L236 HydrophobicContact CZ-CD2 4.33Å; F208-L236 HydrophobicContact CZ-CG 3.54Å; L211-L236 HydrophobicContact CD1-CD2 4.27Å; L236-V238 HydrophobicContact CB-CG2 4.42Å; L236-V238 PolarHBondContact O-N 3.09Å |
| 237 | W | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 94.6 | 174.9 | -63.6 | -15.1 | 0 | 0 | 0 | 109.6 | F191 V192 Q194 E235 L240 N241 R242 V243 L274 | F191-W237 HydrophobicContact CB-CH2 4.47Å; F191-W237 HydrophobicContact CB-CZ2 4.05Å; F191-W237 AromaticContact CD1-CZ2 3.94Å; F191-W237 HydrophobicContact CD1-CZ2 3.94Å; F191-W237 HydrophobicContact CG-CZ2 4.33Å; V192-W237 WeakPolarHBondContact O-CB 3.36Å; V192-W237 PolarHBondContact O-N 3.12Å; Q194-W237 WeakPolarHBondContact CA-O 3.48Å; Q194-W237 WeakPolarHBondContact CB-O 3.43Å; Q194-W237 PolarHBondContact N-O 2.68Å; E235-W237 PolarHBondContact OE1-NE1 3.48Å; W237-L240 WeakPolarHBondContact CB-O 3.4Å; W237-N241 HydrophobicContact CE3-CB 3.65Å; W237-N241 HydrophobicContact CZ3-CB 4.03Å; W237-R242 HydrophobicContact CZ2-CB 3.89Å; W237-V243 HydrophobicContact CH2-CB 3.64Å; W237-V243 HydrophobicContact CH2-CG2 3.53Å; W237-V243 HydrophobicContact CZ2-CG2 4.09Å; W237-V243 HydrophobicContact CZ3-CB 4.04Å; W237-V243 HydrophobicContact CZ3-CG2 4.41Å; W237-L274 HydrophobicContact CE3-CD1 4.48Å; W237-L274 HydrophobicContact CH2-CD1 3.73Å; W237-L274 HydrophobicContact CZ3-CD1 3.68Å |
| 238 | V | 90.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -81.9 | -46.2 | -171.3 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | R71 F72 L73 Q194 L236 | R71-V238 HydrophobicContact CB-CG2 4.32Å; F72-V238 PolarHBondContact O-N 3.09Å; L73-V238 HydrophobicContact CG-CB 4.4Å; Q194-V238 WeakPolarHBondContact CG-O 3.38Å; Q194-V238 PolarHBondContact NE2-O 3.06Å; L236-V238 HydrophobicContact CB-CG2 4.42Å; L236-V238 PolarHBondContact O-N 3.09Å |
| 239 | S | 87.6 | Confident | 91.4 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -107.1 | -31 | -174.6 | -49 | 0 | 0 | 0 | 0 | 113.8 | L73 Q194 | L73-S239 WeakPolarHBondContact O-CB 3Å; Q194-S239 PolarHBondContact NE2-O 2.72Å; Q194-S239 PolarHBondContact OE1-O 3.42Å |
| 240 | L | 90 | Very high | 90.9 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | trans | -147.9 | 140.3 | 179.6 | -89.8 | 154.2 | 0 | 0 | 0 | 110.4 | W237 | W237-L240 WeakPolarHBondContact CB-O 3.4Š| ||
| 241 | N | 92.4 | Very high | 90.5 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | trans | -70 | 135.5 | 168 | -66 | -24.2 | 0 | 0 | 0 | 109.8 | E193 Q194 W237 V243 | E193-N241 WeakPolarHBondContact CG-OD1 3.42Å; Q194-N241 WeakPolarHBondContact CB-OD1 3.45Å; Q194-N241 PolarHBondContact N-OD1 3.36Å; W237-N241 HydrophobicContact CE3-CB 3.65Å; W237-N241 HydrophobicContact CZ3-CB 4.03Å; N241-V243 VanDerWaalsContact CB-O 3.31Å; N241-V243 WeakPolarHBondContact CB-O 3.47Å | ||
| 242 | R | 91.7 | Very high | 90.3 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.4 | -13.7 | 172.2 | -63.2 | -175.1 | 74.9 | -163 | -5.4 | 112.9 | F72 E235 W237 F259 E263 | F72-R242 HydrophobicContact CD1-CG 3.64Å; F72-R242 HydrophobicContact CD2-CG 4.26Å; F72-R242 HydrophobicContact CE1-CG 3.4Å; F72-R242 VanDerWaalsContact CE1-CG 3.4Å; F72-R242 HydrophobicContact CE2-CG 4.06Å; F72-R242 HydrophobicContact CG-CG 4.07Å; F72-R242 HydrophobicContact CZ-CG 3.63Å; E235-R242 WeakPolarHBondContact OE1-CD 3.39Å; E235-R242 IonicContact OE1-NH1 2.75Å; E235-R242 IonicContact OE2-NH1 2.88Å; W237-R242 HydrophobicContact CZ2-CB 3.89Å; R242-F259 HydrophobicContact CB-CD2 4.38Å; R242-F259 HydrophobicContact CB-CE2 3.9Å; R242-F259 HydrophobicContact CB-CZ 4.38Å; R242-F259 VanDerWaalsContact CZ-CE2 3.41Å; R242-E263 IonicContact CZ-OE1 3.18Å; R242-E263 IonicContact CZ-OE2 2.67Å; R242-E263 IonicContact NH1-OE1 3.55Å; R242-E263 IonicContact NH1-OE2 3.16Å; R242-E263 PolarHBondContact NH1-OE2 3.13Å; R242-E263 IonicContact NH2-OE1 2.71Å; R242-E263 PolarHBondContact NH2-OE1 3.43Å; R242-E263 IonicContact NH2-OE2 2.76Å; R242-E263 PolarHBondContact NH2-OE2 3.18Å; R242-E263 VanDerWaalsContact NH2-OE2 3.16Å |
| 243 | V | 92 | Very high | 90.2 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -125.8 | 143 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | W237 N241 V245 S255 F256 F259 | W237-V243 HydrophobicContact CH2-CB 3.64Å; W237-V243 HydrophobicContact CH2-CG2 3.53Å; W237-V243 HydrophobicContact CZ2-CG2 4.09Å; W237-V243 HydrophobicContact CZ3-CB 4.04Å; W237-V243 HydrophobicContact CZ3-CG2 4.41Å; N241-V243 VanDerWaalsContact CB-O 3.31Å; N241-V243 WeakPolarHBondContact CB-O 3.47Å; V243-V245 PolarHBondContact O-N 3.48Å; V243-S255 VanDerWaalsContact CG1-OG 3.29Å; V243-S255 WeakPolarHBondContact CG1-OG 3.48Å; V243-F256 HydrophobicContact CG1-CB 4.25Å; V243-F256 HydrophobicContact CG2-CD2 4.32Å; V243-F259 HydrophobicContact CG2-CB 3.55Å; V243-F259 HydrophobicContact CG2-CD1 3.96Å; V243-F259 HydrophobicContact CG2-CD2 4.06Å; V243-F259 HydrophobicContact CG2-CG 3.57Å |
| 244 | G | 89.2 | Confident | 90 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | trans | -71.2 | 99 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 245 | V | 87.9 | Confident | 89.8 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | trans | -85.7 | 114.4 | 174.6 | -175 | 0 | 0 | 0 | 0 | 109.5 | E193 V243 L274 A278 | E193-V245 HydrophobicContact CG-CG2 4.14Å; V243-V245 PolarHBondContact O-N 3.48Å; V245-L274 HydrophobicContact CG2-CD2 4.42Å; V245-A278 HydrophobicContact CG1-CB 4.31Å | ||
| 246 | Q | 84.5 | Confident | 89.8 | Confident | 109 Ų | 109 | 48.8 Ų | 48.8 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | trans | -98.9 | 179.1 | 179.6 | -57.8 | -172.5 | 29.6 | 0 | 0 | 111 | E248 S252 | Q246-E248 VanDerWaalsContact C-N 3.33Å; Q246-S252 PolarHBondContact N-OG 3.07Å | ||
| 247 | R | 81.6 | Confident | 89.7 | Confident | 199 Ų | 199 | 49.3 Ų | 49.3 | 75% | 0.751 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -69.8 | -33.1 | 174 | -66.6 | -174.4 | -179 | -152.3 | -0 | 112 | L280 | R247-L280 WeakPolarHBondContact O-CA 3.29Š|
| 248 | E | 82.2 | Confident | 89.6 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -88.9 | 143.9 | 179.5 | -61.5 | -175.3 | -159.1 | 0 | 0 | 112 | Q246 P251 S252 | Q246-E248 VanDerWaalsContact C-N 3.33Å; E248-P251 HydrophobicContact CB-CG 4Å; E248-S252 PolarHBondContact O-OG 3.39Å |
| 249 | I | 86.7 | Confident | 89.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.1 | -43.9 | -174.9 | -163.2 | 163.9 | 0 | 0 | 0 | 113 | S252 L253 L280 A283 M286 M300 | I249-S252 PolarHBondContact O-N 3.4Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-L280 HydrophobicContact CB-CB 4.22Å; I249-L280 HydrophobicContact CB-CD1 4.42Å; I249-L280 HydrophobicContact CB-CD2 3.75Å; I249-L280 HydrophobicContact CB-CG 4.3Å; I249-L280 HydrophobicContact CD1-CB 4.39Å; I249-L280 HydrophobicContact CD1-CD1 3.65Å; I249-L280 HydrophobicContact CD1-CG 4.36Å; I249-L280 HydrophobicContact CG1-CD1 3.98Å; I249-L280 HydrophobicContact CG1-CD2 4.03Å; I249-L280 HydrophobicContact CG1-CG 4.4Å; I249-A283 HydrophobicContact CD1-CB 4.31Å; I249-A283 HydrophobicContact CG2-CB 4.46Å; I249-M286 HydrophobicContact CD1-CB 3.39Å; I249-M286 HydrophobicContact CG1-CB 3.72Å; I249-M286 HydrophobicContact CG1-SD 4.46Å; I249-M286 HydrophobicContact CG2-CB 4.37Å; I249-M286 HydrophobicContact CG2-SD 3.74Å; I249-M300 HydrophobicContact CG1-CB 4.41Å |
| 250 | L | 87.2 | Confident | 90 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 40% | 0.403 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -48.7 | -174.9 | 176.2 | 63.9 | 0 | 0 | 0 | 112.8 | S252 L253 L254 M286 | L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 2.94Å; L250-L253 PolarHBondContact O-N 2.73Å; L250-L254 HydrophobicContact CD1-CD1 4.14Å; L250-L254 HydrophobicContact CD1-CG 4.16Å; L250-L254 HydrophobicContact CG-CD1 4.06Å; L250-L254 WeakPolarHBondContact O-CB 3.26Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.13Å; L250-M286 HydrophobicContact CB-CE 4.48Å; L250-M286 HydrophobicContact CB-SD 4.17Å; L250-M286 HydrophobicContact CD1-CE 3.87Å; L250-M286 HydrophobicContact CD1-SD 4.27Å |
| 251 | P | 89.2 | Confident | 90 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 176.3 | -24.8 | 35.6 | 0 | 0 | 0 | 113.2 | E248 S255 | E248-P251 HydrophobicContact CB-CG 4Å; P251-S255 PolarHBondContact O-N 3.3Å |
| 252 | S | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | Q246 E248 I249 L250 S255 F256 M300 | Q246-S252 PolarHBondContact N-OG 3.07Å; E248-S252 PolarHBondContact O-OG 3.39Å; I249-S252 PolarHBondContact O-N 3.4Å; L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 2.94Å; S252-S255 PolarHBondContact O-N 2.84Å; S252-F256 PolarHBondContact O-N 2.84Å; S252-M300 WeakPolarHBondContact CB-SD 3.17Å |
| 253 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.2 | 177.6 | 61.8 | 0 | 0 | 0 | 111.1 | W159 I249 L250 S255 F256 V257 M286 A298 M300 | W159-L253 HydrophobicContact CE3-CD2 4.47Å; W159-L253 HydrophobicContact CH2-CG 4.46Å; W159-L253 HydrophobicContact CZ3-CD2 3.75Å; W159-L253 HydrophobicContact CZ3-CG 3.97Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 PolarHBondContact O-N 2.88Å; L250-L253 PolarHBondContact O-N 2.73Å; L253-S255 PolarHBondContact O-N 3.06Å; L253-F256 WeakPolarHBondContact O-CB 3.29Å; L253-F256 PolarHBondContact O-N 3.41Å; L253-V257 WeakPolarHBondContact O-CG2 3.2Å; L253-V257 PolarHBondContact O-N 2.89Å; L253-M286 HydrophobicContact CD2-CB 4.21Å; L253-M286 HydrophobicContact CD2-CG 3.73Å; L253-M286 HydrophobicContact CD2-SD 4.05Å; L253-A298 HydrophobicContact CD1-CB 4.09Å; L253-M300 VanDerWaalsContact CA-SD 3.53Å; L253-M300 HydrophobicContact CB-CG 4.21Å; L253-M300 HydrophobicContact CB-SD 3.89Å; L253-M300 HydrophobicContact CD1-CG 3.98Å; L253-M300 PolarHBondContact N-SD 3.23Å |
| 254 | L | 91.5 | Very high | 88.7 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.5 | -73.7 | 168.5 | 0 | 0 | 0 | 112.1 | W159 L250 F256 V257 Q258 | W159-L254 HydrophobicContact CH2-CD2 3.52Å; W159-L254 HydrophobicContact CH2-CG 4.25Å; W159-L254 HydrophobicContact CZ2-CD2 3.18Å; W159-L254 HydrophobicContact CZ2-CG 4.28Å; L250-L254 HydrophobicContact CD1-CD1 4.14Å; L250-L254 HydrophobicContact CD1-CG 4.16Å; L250-L254 HydrophobicContact CG-CD1 4.06Å; L250-L254 WeakPolarHBondContact O-CB 3.26Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.13Å; L254-F256 VanDerWaalsContact C-N 3.27Å; L254-F256 PolarHBondContact O-N 3.46Å; L254-V257 PolarHBondContact O-N 2.9Å; L254-Q258 WeakPolarHBondContact O-CG 3.06Å; L254-Q258 PolarHBondContact O-N 2.92Å |
| 255 | S | 93.6 | Very high | 87.9 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 176 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | V243 P251 S252 L253 Q258 F259 | V243-S255 VanDerWaalsContact CG1-OG 3.29Å; V243-S255 WeakPolarHBondContact CG1-OG 3.48Å; P251-S255 PolarHBondContact O-N 3.3Å; S252-S255 PolarHBondContact O-N 2.84Å; L253-S255 PolarHBondContact O-N 3.06Å; S255-Q258 PolarHBondContact O-N 3.16Å; S255-F259 PolarHBondContact O-N 2.83Å |
| 256 | F | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 176.2 | -177.6 | -135 | 0 | 0 | 0 | 112.7 | F191 V243 S252 L253 L254 Q258 F259 L260 A272 L274 A298 | F191-F256 HydrophobicContact CB-CE2 4.29Å; F191-F256 HydrophobicContact CB-CZ 4.5Å; F191-F256 AromaticContact CD2-CE2 3.57Å; F191-F256 HydrophobicContact CD2-CE2 3.57Å; F191-F256 AromaticContact CD2-CZ 3.5Å; F191-F256 HydrophobicContact CD2-CZ 3.5Å; F191-F256 AromaticContact CE2-CE2 4Å; F191-F256 HydrophobicContact CE2-CE2 4Å; F191-F256 HydrophobicContact CE2-CZ 4Å; F191-F256 AromaticContact CG-CE2 3.93Å; F191-F256 HydrophobicContact CG-CE2 3.93Å; F191-F256 HydrophobicContact CG-CZ 4.22Å; V243-F256 HydrophobicContact CG1-CB 4.25Å; V243-F256 HydrophobicContact CG2-CD2 4.32Å; S252-F256 PolarHBondContact O-N 2.84Å; L253-F256 WeakPolarHBondContact O-CB 3.29Å; L253-F256 PolarHBondContact O-N 3.41Å; L254-F256 VanDerWaalsContact C-N 3.27Å; L254-F256 PolarHBondContact O-N 3.46Å; F256-Q258 VanDerWaalsContact C-N 3.32Å; F256-Q258 PolarHBondContact O-N 3.13Å; F256-F259 AromaticContact CD2-CD1 3.97Å; F256-F259 HydrophobicContact CD2-CD1 3.97Å; F256-F259 HydrophobicContact CE2-CD1 4.05Å; F256-F259 HydrophobicContact CE2-CE1 4.42Å; F256-F259 WeakPolarHBondContact O-CB 3.25Å; F256-F259 PolarHBondContact O-N 2.77Å; F256-F259 VanDerWaalsContact O-N 3.13Å; F256-L260 HydrophobicContact CD1-CD1 4.27Å; F256-L260 HydrophobicContact CD2-CD1 4.43Å; F256-L260 HydrophobicContact CD2-CG 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.88Å; F256-L260 HydrophobicContact CE2-CD1 4.06Å; F256-L260 HydrophobicContact CE2-CD2 3.76Å; F256-L260 HydrophobicContact CE2-CG 3.82Å; F256-L260 HydrophobicContact CZ-CD1 3.76Å; F256-L260 HydrophobicContact CZ-CD2 3.92Å; F256-L260 HydrophobicContact CZ-CG 4.01Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.43Å; F256-A272 HydrophobicContact CE1-CB 4.29Å; F256-A272 HydrophobicContact CZ-CB 3.95Å; F256-L274 HydrophobicContact CB-CD2 4.12Å; F256-L274 HydrophobicContact CD1-CB 3.67Å; F256-L274 HydrophobicContact CD1-CD2 4.45Å; F256-L274 HydrophobicContact CD2-CB 4.25Å; F256-L274 HydrophobicContact CD2-CD2 4.34Å; F256-L274 HydrophobicContact CE1-CB 3.62Å; F256-L274 HydrophobicContact CE2-CB 4.2Å; F256-L274 HydrophobicContact CG-CB 4.01Å; F256-L274 HydrophobicContact CG-CD2 4.06Å; F256-L274 HydrophobicContact CZ-CB 3.89Å; F256-A298 HydrophobicContact CD1-CB 3.86Å; F256-A298 HydrophobicContact CE1-CB 4Å |
| 257 | V | 93.4 | Very high | 87 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 173.4 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | W159 L253 L254 F259 L260 S261 V288 R296 A298 | W159-V257 HydrophobicContact CH2-CG2 3.97Å; W159-V257 HydrophobicContact CZ3-CG2 4.37Å; L253-V257 WeakPolarHBondContact O-CG2 3.2Å; L253-V257 PolarHBondContact O-N 2.89Å; L254-V257 PolarHBondContact O-N 2.9Å; V257-F259 VanDerWaalsContact C-N 3.29Å; V257-F259 PolarHBondContact O-N 3.46Å; V257-L260 PolarHBondContact O-N 2.99Å; V257-S261 WeakPolarHBondContact O-CB 3.2Å; V257-S261 PolarHBondContact O-N 3.3Å; V257-S261 PolarHBondContact O-OG 3.31Å; V257-V288 HydrophobicContact CG2-CG2 3.69Å; V257-R296 HydrophobicContact CG1-CB 3.94Å; V257-R296 HydrophobicContact CG1-CG 3.79Å; V257-A298 HydrophobicContact CG2-CB 3.54Å |
| 258 | Q | 92.9 | Very high | 87 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 176.7 | -72 | 175.9 | 4.9 | 0 | 0 | 112.5 | L254 S255 F256 R262 | L254-Q258 WeakPolarHBondContact O-CG 3.06Å; L254-Q258 PolarHBondContact O-N 2.92Å; S255-Q258 PolarHBondContact O-N 3.16Å; F256-Q258 VanDerWaalsContact C-N 3.32Å; F256-Q258 PolarHBondContact O-N 3.13Å; Q258-R262 WeakPolarHBondContact O-CG 3.37Å; Q258-R262 PolarHBondContact O-N 2.98Å |
| 259 | F | 93.6 | Very high | 87.4 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -50.8 | 175.3 | 164.6 | -96.9 | 0 | 0 | 0 | 111.7 | F191 R242 V243 S255 F256 V257 S261 R262 E263 | F191-F259 HydrophobicContact CD1-CE1 4.09Å; F191-F259 AromaticContact CE1-CE1 3.6Å; F191-F259 HydrophobicContact CE1-CE1 3.6Å; F191-F259 HydrophobicContact CE1-CZ 4.01Å; F191-F259 AromaticContact CZ-CE1 3.88Å; F191-F259 HydrophobicContact CZ-CE1 3.88Å; R242-F259 HydrophobicContact CB-CD2 4.38Å; R242-F259 HydrophobicContact CB-CE2 3.9Å; R242-F259 HydrophobicContact CB-CZ 4.38Å; R242-F259 VanDerWaalsContact CZ-CE2 3.41Å; V243-F259 HydrophobicContact CG2-CB 3.55Å; V243-F259 HydrophobicContact CG2-CD1 3.96Å; V243-F259 HydrophobicContact CG2-CD2 4.06Å; V243-F259 HydrophobicContact CG2-CG 3.57Å; S255-F259 PolarHBondContact O-N 2.83Å; F256-F259 AromaticContact CD2-CD1 3.97Å; F256-F259 HydrophobicContact CD2-CD1 3.97Å; F256-F259 HydrophobicContact CE2-CD1 4.05Å; F256-F259 HydrophobicContact CE2-CE1 4.42Å; F256-F259 WeakPolarHBondContact O-CB 3.25Å; F256-F259 PolarHBondContact O-N 2.77Å; F256-F259 VanDerWaalsContact O-N 3.13Å; V257-F259 VanDerWaalsContact C-N 3.29Å; V257-F259 PolarHBondContact O-N 3.46Å; F259-S261 VanDerWaalsContact C-N 3.26Å; F259-S261 PolarHBondContact O-N 2.91Å; F259-R262 WeakPolarHBondContact O-CB 3.46Å; F259-R262 PolarHBondContact O-N 3.14Å; F259-E263 HydrophobicContact CD2-CG 4.32Å; F259-E263 HydrophobicContact CE1-CG 4.25Å; F259-E263 HydrophobicContact CE2-CG 3.81Å; F259-E263 HydrophobicContact CZ-CG 3.78Å; F259-E263 PolarHBondContact O-N 2.88Å |
| 260 | L | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 178 | -66.4 | 172.2 | 0 | 0 | 0 | 111.7 | F191 F256 V257 R262 E263 V264 A272 A298 | F191-L260 HydrophobicContact CE2-CD2 3.68Å; F191-L260 HydrophobicContact CZ-CD2 3.99Å; F256-L260 HydrophobicContact CD1-CD1 4.27Å; F256-L260 HydrophobicContact CD2-CD1 4.43Å; F256-L260 HydrophobicContact CD2-CG 4.17Å; F256-L260 HydrophobicContact CE1-CD1 3.88Å; F256-L260 HydrophobicContact CE2-CD1 4.06Å; F256-L260 HydrophobicContact CE2-CD2 3.76Å; F256-L260 HydrophobicContact CE2-CG 3.82Å; F256-L260 HydrophobicContact CZ-CD1 3.76Å; F256-L260 HydrophobicContact CZ-CD2 3.92Å; F256-L260 HydrophobicContact CZ-CG 4.01Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.43Å; V257-L260 PolarHBondContact O-N 2.99Å; L260-R262 PolarHBondContact O-N 3.38Å; L260-R262 VanDerWaalsContact O-N 3.14Å; L260-E263 PolarHBondContact O-N 3.32Å; L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.46Å; L260-V264 PolarHBondContact O-N 2.8Å; L260-V264 VanDerWaalsContact O-N 3.15Å; L260-A272 HydrophobicContact CD1-CB 3.61Å; L260-A272 HydrophobicContact CD2-CB 3.87Å; L260-A272 HydrophobicContact CG-CB 4.4Å; L260-A298 HydrophobicContact CD1-CB 3.63Å |
| 261 | S | 89 | Confident | 88.3 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -22.7 | 177.1 | -64.8 | 0 | 0 | 0 | 0 | 114 | V257 F259 A295 | V257-S261 WeakPolarHBondContact O-CB 3.2Å; V257-S261 PolarHBondContact O-N 3.3Å; V257-S261 PolarHBondContact O-OG 3.31Å; F259-S261 VanDerWaalsContact C-N 3.26Å; F259-S261 PolarHBondContact O-N 2.91Å; S261-A295 PolarHBondContact OG-O 3.19Å |
| 262 | R | 88.7 | Confident | 88.7 | Confident | 201 Ų | 201 | 47.8 Ų | 47.8 | 76% | 0.758 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -87.4 | -24.9 | 174.6 | -65.5 | 175.2 | -167.6 | -86.1 | 0.8 | 112.9 | Q258 F259 L260 | Q258-R262 WeakPolarHBondContact O-CG 3.37Å; Q258-R262 PolarHBondContact O-N 2.98Å; F259-R262 WeakPolarHBondContact O-CB 3.46Å; F259-R262 PolarHBondContact O-N 3.14Å; L260-R262 PolarHBondContact O-N 3.38Å; L260-R262 VanDerWaalsContact O-N 3.14Å |
| 263 | E | 84.6 | Confident | 89 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -97.4 | 0.5 | -175.6 | -58.1 | -82.6 | 129.8 | 0 | 0 | 112.8 | R242 F259 L260 E265 T266 L267 | R242-E263 IonicContact CZ-OE1 3.18Å; R242-E263 IonicContact CZ-OE2 2.67Å; R242-E263 IonicContact NH1-OE1 3.55Å; R242-E263 IonicContact NH1-OE2 3.16Å; R242-E263 PolarHBondContact NH1-OE2 3.13Å; R242-E263 IonicContact NH2-OE1 2.71Å; R242-E263 PolarHBondContact NH2-OE1 3.43Å; R242-E263 IonicContact NH2-OE2 2.76Å; R242-E263 PolarHBondContact NH2-OE2 3.18Å; R242-E263 VanDerWaalsContact NH2-OE2 3.16Å; F259-E263 HydrophobicContact CD2-CG 4.32Å; F259-E263 HydrophobicContact CE1-CG 4.25Å; F259-E263 HydrophobicContact CE2-CG 3.81Å; F259-E263 HydrophobicContact CZ-CG 3.78Å; F259-E263 PolarHBondContact O-N 2.88Å; L260-E263 PolarHBondContact O-N 3.32Å; E263-E265 PolarHBondContact O-N 3.03Å; E263-E265 VanDerWaalsContact O-N 3.13Å; E263-T266 WeakPolarHBondContact O-CA 3.43Å; E263-T266 PolarHBondContact O-N 3.06Å; E263-T266 PolarHBondContact O-OG1 3.37Å; E263-L267 HydrophobicContact CB-CD1 3.89Å; E263-L267 HydrophobicContact CB-CG 4.32Å; E263-L267 PolarHBondContact O-N 3.39Å |
| 264 | V | 76.3 | Confident | 89.2 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -38.7 | -176.7 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | L260 T266 A295 | L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.46Å; L260-V264 PolarHBondContact O-N 2.8Å; L260-V264 VanDerWaalsContact O-N 3.15Å; V264-T266 PolarHBondContact O-N 3.39Å; V264-A295 HydrophobicContact CG2-CB 3.56Å |
| 265 | E | 71.1 | Confident | 89.5 | Confident | 195 Ų | 195 | 44.6 Ų | 44.6 | 91% | 0.911 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22 | 179 | -64 | -175 | 171.3 | 0 | 0 | 113 | E263 | E263-E265 PolarHBondContact O-N 3.03Å; E263-E265 VanDerWaalsContact O-N 3.13Å |
| 266 | T | 75.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 43 Ų | 43 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -15.7 | -173.9 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | R68 E263 V264 | R68-T266 PolarHBondContact NH1-O 3.19Å; E263-T266 WeakPolarHBondContact O-CA 3.43Å; E263-T266 PolarHBondContact O-N 3.06Å; E263-T266 PolarHBondContact O-OG1 3.37Å; V264-T266 PolarHBondContact O-N 3.39Å |
| 267 | L | 78.3 | Confident | 89 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | trans | -135.4 | 102.3 | -174.1 | -63.1 | 179.5 | 0 | 0 | 0 | 109.9 | F191 H233 E263 H269 | F191-L267 HydrophobicContact CE1-CD1 4.41Å; F191-L267 HydrophobicContact CZ-CD1 3.79Å; H233-L267 HydrophobicContact CB-CD2 4.47Å; E263-L267 HydrophobicContact CB-CD1 3.89Å; E263-L267 HydrophobicContact CB-CG 4.32Å; E263-L267 PolarHBondContact O-N 3.39Å; L267-H269 PolarHBondContact O-ND1 3.2Å | ||
| 268 | S | 82.3 | Confident | 87.9 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | trans | -79.5 | 124.5 | 165.3 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | E187 | E187-S268 PolarHBondContact OE2-OG 3.3Š| ||
| 269 | H | 91.4 | Very high | 86.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 11% | 0.106 | 24% | 0.241 | C | C | . | . | trans | -160.2 | 151.9 | 172.9 | 54.9 | -86.4 | 0 | 0 | 0 | 110.7 | S189 V232 L267 | S189-H269 VanDerWaalsContact OG-CB 3.26Å; S189-H269 WeakPolarHBondContact OG-CB 3.22Å; V232-H269 HydrophobicContact CG2-CB 4.16Å; L267-H269 PolarHBondContact O-ND1 3.2Å | ||
| 270 | D | 94.4 | Very high | 85.2 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -89.8 | -28.3 | 177.5 | -56.5 | -30.7 | 0 | 0 | 0 | 111.8 | V186 E187 V292 C293 A297 C382 L383 | V186-D270 HydrophobicContact CG1-CB 4.49Å; E187-D270 HydrophobicContact CB-CB 4.32Å; E187-D270 WeakPolarHBondContact CB-OD2 3.45Å; E187-D270 WeakPolarHBondContact CG-OD2 3.46Å; E187-D270 PolarHBondContact N-OD2 3Å; E187-D270 PolarHBondContact O-N 2.92Å; D270-V292 HydrophobicContact CB-CG2 4.32Å; D270-C293 PolarHBondContact O-N 3.21Å; D270-A297 WeakPolarHBondContact O-CB 3.43Å; D270-C382 VanDerWaalsContact OD1-CB 3.23Å; D270-C382 WeakPolarHBondContact OD1-CB 3.37Å; D270-C382 PolarHBondContact OD1-SG 2.82Å; D270-L383 HydrophobicContact CB-CD2 4.07Å |
| 271 | A | 96.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 148.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V186 E187 L188 S189 A297 I323 | V186-A271 HydrophobicContact CG1-CB 4.19Å; E187-A271 PolarHBondContact O-N 3.02Å; L188-A271 WeakPolarHBondContact CA-O 3.37Å; L188-A271 HydrophobicContact CD1-CB 4.32Å; S189-A271 PolarHBondContact N-O 3.34Å; A271-A297 CarbonylContact C-O 3.51Å; A271-I323 HydrophobicContact CB-CD1 4.11Å; A271-I323 HydrophobicContact CB-CG2 4.09Å |
| 272 | A | 97.8 | Very high | 83 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S189 F191 F256 L260 A297 A298 G299 | S189-A272 CarbonylContact O-C 3.38Å; S189-A272 VanDerWaalsContact O-CA 3.24Å; S189-A272 WeakPolarHBondContact O-CA 3.47Å; F191-A272 HydrophobicContact CE2-CB 4.34Å; F256-A272 HydrophobicContact CE1-CB 4.29Å; F256-A272 HydrophobicContact CZ-CB 3.95Å; L260-A272 HydrophobicContact CD1-CB 3.61Å; L260-A272 HydrophobicContact CD2-CB 3.87Å; L260-A272 HydrophobicContact CG-CB 4.4Å; A272-A297 PolarHBondContact N-O 3Å; A272-A298 CarbonylContact O-C 3.32Å; A272-A298 WeakPolarHBondContact O-CA 3.49Å; A272-G299 PolarHBondContact O-N 2.63Å |
| 273 | L | 98 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.1 | 177.1 | -63.8 | -179.9 | 0 | 0 | 0 | 111.2 | L188 S189 I190 F191 G299 M316 I320 I323 | L188-L273 HydrophobicContact CD1-CD1 4.14Å; L188-L273 HydrophobicContact CD1-CG 3.96Å; S189-L273 PolarHBondContact O-N 2.91Å; I190-L273 CarbonylContact C-O 3.56Å; I190-L273 WeakPolarHBondContact CA-O 3.4Å; F191-L273 PolarHBondContact N-O 3.32Å; L273-G299 CarbonylContact C-O 3.56Å; L273-G299 WeakPolarHBondContact CA-O 3.37Å; L273-M316 HydrophobicContact CD1-CB 3.9Å; L273-M316 HydrophobicContact CD1-CE 3.87Å; L273-M316 HydrophobicContact CD1-CG 3.86Å; L273-I320 HydrophobicContact CD1-CD1 4.1Å; L273-I320 HydrophobicContact CD1-CG1 4.08Å; L273-I323 HydrophobicContact CD2-CD1 4.33Å |
| 274 | L | 97.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118 | 168.3 | 171.9 | 63.1 | 0 | 0 | 0 | 109.8 | F191 W237 V245 F256 G299 M300 I301 | F191-L274 HydrophobicContact CB-CD1 3.97Å; F191-L274 CarbonylContact O-C 3.49Å; F191-L274 WeakPolarHBondContact O-CA 3.35Å; W237-L274 HydrophobicContact CE3-CD1 4.48Å; W237-L274 HydrophobicContact CH2-CD1 3.73Å; W237-L274 HydrophobicContact CZ3-CD1 3.68Å; V245-L274 HydrophobicContact CG2-CD2 4.42Å; F256-L274 HydrophobicContact CB-CD2 4.12Å; F256-L274 HydrophobicContact CD1-CB 3.67Å; F256-L274 HydrophobicContact CD1-CD2 4.45Å; F256-L274 HydrophobicContact CD2-CB 4.25Å; F256-L274 HydrophobicContact CD2-CD2 4.34Å; F256-L274 HydrophobicContact CE1-CB 3.62Å; F256-L274 HydrophobicContact CE2-CB 4.2Å; F256-L274 HydrophobicContact CG-CB 4.01Å; F256-L274 HydrophobicContact CG-CD2 4.06Å; F256-L274 HydrophobicContact CZ-CB 3.89Å; L274-G299 PolarHBondContact N-O 3.33Å; L274-M300 HydrophobicContact CB-CG 4.07Å; L274-M300 HydrophobicContact CD2-CE 3.75Å; L274-M300 HydrophobicContact CD2-CG 4.23Å; L274-M300 HydrophobicContact CD2-SD 4.1Å; L274-M300 HydrophobicContact CG-CE 4.2Å; L274-M300 HydrophobicContact CG-CG 4.41Å; L274-M300 WeakPolarHBondContact O-CA 3.14Å; L274-I301 PolarHBondContact O-N 3.35Å |
| 275 | V | 96.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.3 | 178 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I190 F191 V192 E193 V196 I301 M303 | I190-V275 HydrophobicContact CG2-CG2 3.79Å; F191-V275 PolarHBondContact O-N 2.78Å; V192-V275 HydrophobicContact CG1-CB 4.47Å; V192-V275 HydrophobicContact CG2-CB 4.28Å; V192-V275 HydrophobicContact CG2-CG2 4.4Å; E193-V275 VanDerWaalsContact CB-O 3.28Å; E193-V275 WeakPolarHBondContact CB-O 3.45Å; E193-V275 PolarHBondContact N-O 2.9Å; V196-V275 HydrophobicContact CG1-CG1 4.26Å; V196-V275 HydrophobicContact CG2-CG1 4.49Å; V275-I301 HydrophobicContact CB-CG1 4.49Å; V275-I301 HydrophobicContact CG2-CD1 4.05Å; V275-I301 HydrophobicContact CG2-CG1 4.05Å; V275-M303 HydrophobicContact CG1-CB 3.79Å; V275-M303 HydrophobicContact CG1-CE 3.62Å; V275-M303 HydrophobicContact CG1-SD 4.41Å |
| 276 | S | 92.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 166.7 | -175.8 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | E193 A278 I301 K302 M303 | E193-S276 VanDerWaalsContact OE2-CA 3.29Å; E193-S276 WeakPolarHBondContact OE2-CA 3.36Å; E193-S276 VanDerWaalsContact OE2-CB 3.3Å; E193-S276 WeakPolarHBondContact OE2-CB 3.35Å; E193-S276 PolarHBondContact OE2-OG 2.92Å; S276-A278 PolarHBondContact OG-N 3.13Å; S276-A278 VanDerWaalsContact OG-N 3.1Å; S276-I301 PolarHBondContact N-O 2.85Å; S276-K302 CarbonylContact O-C 3.51Å; S276-K302 VanDerWaalsContact O-CA 3.3Å; S276-K302 WeakPolarHBondContact O-CA 3.37Å; S276-M303 PolarHBondContact O-N 3.32Å |
| 277 | M | 84.9 | Confident | 85.4 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | trans | -119.3 | 16.1 | 167.3 | 66.9 | 178.2 | -75.1 | 0 | 0 | 113.2 | E193 R195 V196 W199 | E193-M277 PolarHBondContact OE2-N 2.86Å; E193-M277 VanDerWaalsContact OE2-N 3.12Å; R195-M277 HydrophobicContact CB-CG 3.56Å; R195-M277 HydrophobicContact CB-SD 3.33Å; R195-M277 WeakPolarHBondContact CB-SD 3.4Å; R195-M277 VanDerWaalsContact O-SD 3.34Å; V196-M277 HydrophobicContact CG2-CB 3.97Å; V196-M277 HydrophobicContact CG2-CG 4.22Å; W199-M277 HydrophobicContact CB-SD 4.07Å | ||
| 278 | A | 71.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | trans | -56.2 | 144.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V245 S276 L280 | V245-A278 HydrophobicContact CG1-CB 4.31Å; S276-A278 PolarHBondContact OG-N 3.13Å; S276-A278 VanDerWaalsContact OG-N 3.1Å; A278-L280 HydrophobicContact CB-CD2 3.57Å; A278-L280 HydrophobicContact CB-CG 3.94Å; A278-L280 WeakPolarHBondContact O-CG 3.23Å; A278-L280 PolarHBondContact O-N 2.79Å | ||
| 279 | E | 65.8 | Low | 86.4 | Confident | 162 Ų | 162 | 29.6 Ų | 29.6 | 76% | 0.757 | 15% | 0.145 | S | C | * | . | trans | -73.5 | 67.7 | 166.8 | -69.4 | 174.5 | -173.8 | 0 | 0 | 108.5 | N281 | E279-N281 PolarHBondContact O-N 3.08Š| ||
| 280 | L | 63.8 | Low | 86.2 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | trans | -61.8 | 119.7 | 175.6 | -56.9 | 172.7 | 0 | 0 | 0 | 106.3 | R247 I249 A278 K282 A283 K302 | R247-L280 WeakPolarHBondContact O-CA 3.29Å; I249-L280 HydrophobicContact CB-CB 4.22Å; I249-L280 HydrophobicContact CB-CD1 4.42Å; I249-L280 HydrophobicContact CB-CD2 3.75Å; I249-L280 HydrophobicContact CB-CG 4.3Å; I249-L280 HydrophobicContact CD1-CB 4.39Å; I249-L280 HydrophobicContact CD1-CD1 3.65Å; I249-L280 HydrophobicContact CD1-CG 4.36Å; I249-L280 HydrophobicContact CG1-CD1 3.98Å; I249-L280 HydrophobicContact CG1-CD2 4.03Å; I249-L280 HydrophobicContact CG1-CG 4.4Å; A278-L280 HydrophobicContact CB-CD2 3.57Å; A278-L280 HydrophobicContact CB-CG 3.94Å; A278-L280 WeakPolarHBondContact O-CG 3.23Å; A278-L280 PolarHBondContact O-N 2.79Å; L280-K282 VanDerWaalsContact C-N 3.25Å; L280-K282 CarbonylContact O-C 3.55Å; L280-K282 WeakPolarHBondContact O-CA 3.42Å; L280-K282 PolarHBondContact O-N 3.02Å; L280-A283 WeakPolarHBondContact CB-O 3.38Å; L280-A283 PolarHBondContact O-N 3.08Å; L280-K302 HydrophobicContact CD1-CB 4.35Å | ||
| 281 | N | 63.3 | Low | 86 | Confident | 114 Ų | 114 | 30.1 Ų | 30.1 | 61% | 0.61 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -38.7 | 76 | -174.8 | -68.3 | -24.6 | 0 | 0 | 0 | 114.7 | E279 A283 | E279-N281 PolarHBondContact O-N 3.08Å; N281-A283 PolarHBondContact O-N 3.42Å |
| 282 | K | 72.2 | Confident | 85.8 | Confident | 182 Ų | 182 | 30.2 Ų | 30.2 | 79% | 0.791 | 15% | 0.149 | S | C | * | . | S | Bend | trans | 60 | -26.2 | -167 | -57.5 | -179.8 | 177.7 | -177.4 | 0 | 116.8 | T150 L280 E284 | T150-K282 VanDerWaalsContact OG1-C 3.28Å; T150-K282 PolarHBondContact OG1-O 3.3Å; L280-K282 VanDerWaalsContact C-N 3.25Å; L280-K282 CarbonylContact O-C 3.55Å; L280-K282 WeakPolarHBondContact O-CA 3.42Å; L280-K282 PolarHBondContact O-N 3.02Å; K282-E284 PolarHBondContact O-N 3.17Å |
| 283 | A | 83.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 116.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T150 I249 L280 N281 | T150-A283 CarbonylContact O-C 3.46Å; T150-A283 VanDerWaalsContact O-CA 3.27Å; T150-A283 WeakPolarHBondContact O-CA 2.86Å; T150-A283 VanDerWaalsContact OG1-CA 3.3Å; T150-A283 WeakPolarHBondContact OG1-CA 3.34Å; T150-A283 PolarHBondContact OG1-N 3.4Å; I249-A283 HydrophobicContact CD1-CB 4.31Å; I249-A283 HydrophobicContact CG2-CB 4.46Å; L280-A283 WeakPolarHBondContact CB-O 3.38Å; L280-A283 PolarHBondContact O-N 3.08Å; N281-A283 PolarHBondContact O-N 3.42Å |
| 284 | E | 88.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -11.6 | 179.2 | -58.9 | -146.3 | 145.5 | 0 | 0 | 113.3 | A149 T150 K282 I301 K302 Y311 L315 | A149-E284 HydrophobicContact CB-CB 4.12Å; A149-E284 HydrophobicContact CB-CG 3.77Å; T150-E284 PolarHBondContact O-N 3.18Å; K282-E284 PolarHBondContact O-N 3.17Å; E284-I301 CarbonylContact O-C 3.17Å; E284-I301 WeakPolarHBondContact O-CA 3.48Å; E284-K302 HydrophobicContact CB-CB 4.12Å; E284-K302 HydrophobicContact CB-CD 4.43Å; E284-K302 HydrophobicContact CG-CD 4.05Å; E284-K302 WeakPolarHBondContact O-CB 3.2Å; E284-K302 PolarHBondContact O-N 3.39Å; E284-K302 IonicContact OE1-NZ 2.75Å; E284-K302 PolarHBondContact OE1-NZ 3.3Å; E284-Y311 WeakPolarHBondContact OE2-CE1 3.24Å; E284-Y311 PolarHBondContact OE2-OH 2.83Å; E284-L315 HydrophobicContact CB-CD1 4.21Å; E284-L315 HydrophobicContact CB-CD2 4.39Å |
| 285 | T | 90.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145.1 | -177.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | C151 G152 M300 L315 S319 Y349 | C151-T285 HydrophobicContact CB-CG2 4.09Å; G152-T285 PolarHBondContact N-O 3.22Å; T285-M300 CarbonylContact C-O 3.37Å; T285-M300 VanDerWaalsContact CA-O 3.23Å; T285-M300 WeakPolarHBondContact CA-O 3.47Å; T285-L315 HydrophobicContact CG2-CD2 4.3Å; T285-S319 PolarHBondContact OG1-OG 3.31Å; T285-Y349 HydrophobicContact CG2-CE2 4.25Å |
| 286 | M | 91.4 | Very high | 83.8 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 139 | 167.1 | -172.6 | 179.8 | -165.2 | 0 | 0 | 110.3 | N153 T157 I249 L250 L253 G299 M300 | N153-M286 WeakPolarHBondContact OD1-CA 3.24Å; N153-M286 VanDerWaalsContact OD1-CG 3.25Å; N153-M286 WeakPolarHBondContact OD1-CG 3.46Å; T157-M286 HydrophobicContact CG2-CE 4.04Å; I249-M286 HydrophobicContact CD1-CB 3.39Å; I249-M286 HydrophobicContact CG1-CB 3.72Å; I249-M286 HydrophobicContact CG1-SD 4.46Å; I249-M286 HydrophobicContact CG2-CB 4.37Å; I249-M286 HydrophobicContact CG2-SD 3.74Å; L250-M286 HydrophobicContact CB-CE 4.48Å; L250-M286 HydrophobicContact CB-SD 4.17Å; L250-M286 HydrophobicContact CD1-CE 3.87Å; L250-M286 HydrophobicContact CD1-SD 4.27Å; L253-M286 HydrophobicContact CD2-CB 4.21Å; L253-M286 HydrophobicContact CD2-CG 3.73Å; L253-M286 HydrophobicContact CD2-SD 4.05Å; M286-G299 CarbonylContact O-C 3.52Å; M286-G299 WeakPolarHBondContact O-CA 3.44Å; M286-M300 PolarHBondContact N-O 2.86Å; M286-M300 PolarHBondContact O-N 3.26Å |
| 287 | S | 93.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 159.5 | -178.7 | -64.2 | 0 | 0 | 0 | 0 | 113 | N153 S289 A298 G299 S319 | N153-S287 PolarHBondContact ND2-O 3.35Å; N153-S287 PolarHBondContact OD1-N 3.11Å; N153-S287 PolarHBondContact OD1-O 2.85Å; S287-S289 PolarHBondContact O-N 2.98Å; S287-A298 WeakPolarHBondContact CA-O 3.46Å; S287-G299 WeakPolarHBondContact OG-CA 3.23Å; S287-S319 WeakPolarHBondContact CB-O 3.43Å; S287-S319 VanDerWaalsContact OG-CA 3.23Å; S287-S319 WeakPolarHBondContact OG-CA 3.35Å; S287-S319 VanDerWaalsContact OG-CB 3.29Å; S287-S319 WeakPolarHBondContact OG-CB 3.29Å; S287-S319 PolarHBondContact OG-O 2.94Å |
| 288 | V | 92.4 | Very high | 84.4 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | trans | -75 | 114.6 | 165.6 | -165 | 0 | 0 | 0 | 0 | 107.7 | W159 V257 A291 R296 A298 I323 | W159-V288 HydrophobicContact CB-CG1 4.46Å; W159-V288 HydrophobicContact CD2-CG1 4.06Å; W159-V288 HydrophobicContact CE3-CB 3.77Å; W159-V288 HydrophobicContact CE3-CG1 3.59Å; W159-V288 HydrophobicContact CE3-CG2 3.52Å; W159-V288 HydrophobicContact CH2-CG2 3.89Å; W159-V288 HydrophobicContact CZ3-CB 3.93Å; W159-V288 HydrophobicContact CZ3-CG1 4.04Å; W159-V288 HydrophobicContact CZ3-CG2 3.11Å; V257-V288 HydrophobicContact CG2-CG2 3.69Å; V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.56Å; V288-R296 WeakPolarHBondContact CB-O 3.39Å; V288-R296 WeakPolarHBondContact CG2-O 3.31Å; V288-A298 HydrophobicContact CG2-CB 4.11Å; V288-A298 WeakPolarHBondContact CG2-O 3.46Å; V288-A298 PolarHBondContact N-O 2.99Å; V288-I323 WeakPolarHBondContact O-CA 3.4Å | ||
| 289 | S | 89.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 151.4 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | N153 S287 A291 H322 | N153-S289 PolarHBondContact ND2-OG 3.2Å; S287-S289 PolarHBondContact O-N 2.98Å; S289-A291 PolarHBondContact O-N 3.37Å; S289-A291 VanDerWaalsContact O-N 3.09Å; S289-H322 VanDerWaalsContact CA-O 3.23Å; S289-H322 WeakPolarHBondContact CA-O 3.26Å; S289-H322 PolarHBondContact OG-ND1 3.01Å |
| 290 | D | 86.2 | Confident | 86.8 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 27.9 | 175.1 | -57.7 | -58.1 | 0 | 0 | 0 | 114.1 | H322 G325 L374 Q379 | D290-H322 PolarHBondContact N-O 2.96Å; D290-H322 VanDerWaalsContact N-O 3.09Å; D290-G325 WeakPolarHBondContact OD1-CA 3.47Å; D290-L374 HydrophobicContact CB-CD1 4.28Å; D290-Q379 PolarHBondContact O-OE1 3.23Å |
| 291 | A | 90.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | -106.2 | -0.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V288 S289 T294 A297 I323 | V288-A291 HydrophobicContact CB-CB 3.75Å; V288-A291 HydrophobicContact CG1-CB 3.56Å; S289-A291 PolarHBondContact O-N 3.37Å; S289-A291 VanDerWaalsContact O-N 3.09Å; A291-T294 VanDerWaalsContact O-CB 3.32Å; A291-T294 WeakPolarHBondContact O-CB 3.26Å; A291-T294 WeakPolarHBondContact O-CG2 3.26Å; A291-T294 PolarHBondContact O-N 3.46Å; A291-T294 VanDerWaalsContact O-N 3.11Å; A291-T294 PolarHBondContact O-OG1 3.42Å; A291-A297 VanDerWaalsContact O-CB 3.24Å; A291-A297 WeakPolarHBondContact O-CB 3.37Å; A291-I323 PolarHBondContact N-O 2.79Å; A291-I323 VanDerWaalsContact N-O 3.15Å | ||
| 292 | V | 92.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 143.1 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | D270 T294 I323 L324 L374 L383 | D270-V292 HydrophobicContact CB-CG2 4.32Å; V292-T294 PolarHBondContact O-N 3Å; V292-I323 HydrophobicContact CB-CG2 4Å; V292-I323 PolarHBondContact N-O 2.86Å; V292-I323 VanDerWaalsContact N-O 3.1Å; V292-L324 HydrophobicContact CB-CD2 4.1Å; V292-L324 HydrophobicContact CG1-CD2 4.39Å; V292-L324 HydrophobicContact CG2-CD2 3.77Å; V292-L374 HydrophobicContact CG1-CD1 4.17Å; V292-L374 HydrophobicContact CG1-CD2 3.75Å; V292-L383 HydrophobicContact CG2-CD1 4.15Å; V292-L383 HydrophobicContact CG2-CD2 3.78Å; V292-L383 HydrophobicContact CG2-CG 4.17Å |
| 293 | C | 86.2 | Confident | 90.5 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 32% | 0.318 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 20.1 | -174.8 | -43.1 | 0 | 0 | 0 | 0 | 114.7 | D270 G380 C382 | D270-C293 PolarHBondContact O-N 3.21Å; C293-G380 VanDerWaalsContact SG-C 3.52Å; C293-G380 WeakPolarHBondContact SG-CA 3.43Å; C293-C382 WeakPolarHBondContact CA-SG 3.35Å; C293-C382 HydrophobicContact CB-CB 3.74Å; C293-C382 WeakPolarHBondContact CB-SG 3.28Å; C293-C382 WeakPolarHBondContact SG-CB 3.3Å; C293-C382 PolarHBondContact SG-N 3.36Å; C293-C382 CovalentContact SG-SG 2.01Å; C293-C382 PolarHBondContact SG-SG 3.06Å |
| 294 | T | 87 | Confident | 90.5 | Very high | 62 Ų | 62 | 23.8 Ų | 23.8 | 38% | 0.38 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -122.3 | 158 | 175.7 | 79.3 | 0 | 0 | 0 | 0 | 111 | A291 V292 R296 A297 | A291-T294 VanDerWaalsContact O-CB 3.32Å; A291-T294 WeakPolarHBondContact O-CB 3.26Å; A291-T294 WeakPolarHBondContact O-CG2 3.26Å; A291-T294 PolarHBondContact O-N 3.46Å; A291-T294 VanDerWaalsContact O-N 3.11Å; A291-T294 PolarHBondContact O-OG1 3.42Å; V292-T294 PolarHBondContact O-N 3Å; T294-R296 PolarHBondContact O-N 3.45Å; T294-R296 PolarHBondContact OG1-N 3.32Å; T294-A297 VanDerWaalsContact O-CB 3.29Å; T294-A297 WeakPolarHBondContact O-CB 3.24Å; T294-A297 PolarHBondContact O-N 3.13Å |
| 295 | A | 86.6 | Confident | 90.4 | Very high | 41 Ų | 41 | 24.5 Ų | 24.5 | 34% | 0.339 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -3.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S261 V264 | S261-A295 PolarHBondContact OG-O 3.19Å; V264-A295 HydrophobicContact CG2-CB 3.56Å |
| 296 | R | 88.5 | Confident | 90.1 | Very high | 164 Ų | 164 | 28.2 Ų | 28.2 | 62% | 0.619 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7.4 | 178.6 | -54.3 | -178.2 | -178.8 | 163 | 0.3 | 112.6 | V257 V288 T294 A298 | V257-R296 HydrophobicContact CG1-CB 3.94Å; V257-R296 HydrophobicContact CG1-CG 3.79Å; V288-R296 WeakPolarHBondContact CB-O 3.39Å; V288-R296 WeakPolarHBondContact CG2-O 3.31Å; T294-R296 PolarHBondContact O-N 3.45Å; T294-R296 PolarHBondContact OG1-N 3.32Å; R296-A298 PolarHBondContact O-N 2.57Å |
| 297 | A | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -68 | 71.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D270 A271 A272 A291 T294 I323 | D270-A297 WeakPolarHBondContact O-CB 3.43Å; A271-A297 CarbonylContact C-O 3.51Å; A272-A297 PolarHBondContact N-O 3Å; A291-A297 VanDerWaalsContact O-CB 3.24Å; A291-A297 WeakPolarHBondContact O-CB 3.37Å; T294-A297 VanDerWaalsContact O-CB 3.29Å; T294-A297 WeakPolarHBondContact O-CB 3.24Å; T294-A297 PolarHBondContact O-N 3.13Å; A297-I323 HydrophobicContact CB-CG2 4.03Å | ||
| 298 | A | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L253 F256 V257 L260 A272 S287 V288 R296 | L253-A298 HydrophobicContact CD1-CB 4.09Å; F256-A298 HydrophobicContact CD1-CB 3.86Å; F256-A298 HydrophobicContact CE1-CB 4Å; V257-A298 HydrophobicContact CG2-CB 3.54Å; L260-A298 HydrophobicContact CD1-CB 3.63Å; A272-A298 CarbonylContact O-C 3.32Å; A272-A298 WeakPolarHBondContact O-CA 3.49Å; S287-A298 WeakPolarHBondContact CA-O 3.46Å; V288-A298 HydrophobicContact CG2-CB 4.11Å; V288-A298 WeakPolarHBondContact CG2-O 3.46Å; V288-A298 PolarHBondContact N-O 2.99Å; R296-A298 PolarHBondContact O-N 2.57Å |
| 299 | G | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A272 L273 L274 M286 S287 | A272-G299 PolarHBondContact O-N 2.63Å; L273-G299 CarbonylContact C-O 3.56Å; L273-G299 WeakPolarHBondContact CA-O 3.37Å; L274-G299 PolarHBondContact N-O 3.33Å; M286-G299 CarbonylContact O-C 3.52Å; M286-G299 WeakPolarHBondContact O-CA 3.44Å; S287-G299 WeakPolarHBondContact OG-CA 3.23Å |
| 300 | M | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.7 | 173.4 | -78 | -166.8 | 70.7 | 0 | 0 | 109.4 | I249 S252 L253 L274 T285 M286 | I249-M300 HydrophobicContact CG1-CB 4.41Å; S252-M300 WeakPolarHBondContact CB-SD 3.17Å; L253-M300 VanDerWaalsContact CA-SD 3.53Å; L253-M300 HydrophobicContact CB-CG 4.21Å; L253-M300 HydrophobicContact CB-SD 3.89Å; L253-M300 HydrophobicContact CD1-CG 3.98Å; L253-M300 PolarHBondContact N-SD 3.23Å; L274-M300 HydrophobicContact CB-CG 4.07Å; L274-M300 HydrophobicContact CD2-CE 3.75Å; L274-M300 HydrophobicContact CD2-CG 4.23Å; L274-M300 HydrophobicContact CD2-SD 4.1Å; L274-M300 HydrophobicContact CG-CE 4.2Å; L274-M300 HydrophobicContact CG-CG 4.41Å; L274-M300 WeakPolarHBondContact O-CA 3.14Å; T285-M300 CarbonylContact C-O 3.37Å; T285-M300 VanDerWaalsContact CA-O 3.23Å; T285-M300 WeakPolarHBondContact CA-O 3.47Å; M286-M300 PolarHBondContact N-O 2.86Å; M286-M300 PolarHBondContact O-N 3.26Å |
| 301 | I | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.2 | 174.9 | 57.9 | 154.1 | 0 | 0 | 0 | 111.6 | L274 V275 S276 E284 T312 L315 M316 S319 | L274-I301 PolarHBondContact O-N 3.35Å; V275-I301 HydrophobicContact CB-CG1 4.49Å; V275-I301 HydrophobicContact CG2-CD1 4.05Å; V275-I301 HydrophobicContact CG2-CG1 4.05Å; S276-I301 PolarHBondContact N-O 2.85Å; E284-I301 CarbonylContact O-C 3.17Å; E284-I301 WeakPolarHBondContact O-CA 3.48Å; I301-T312 HydrophobicContact CD1-CG2 3.76Å; I301-L315 HydrophobicContact CB-CB 4.3Å; I301-L315 HydrophobicContact CG2-CB 4.01Å; I301-M316 HydrophobicContact CD1-CG 3.4Å; I301-M316 HydrophobicContact CD1-SD 4.35Å; I301-S319 WeakPolarHBondContact CG2-OG 3.16Å |
| 302 | K | 90.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.9 | 171.9 | -178.9 | -176.3 | 165.6 | -157.6 | 0 | 110 | S276 L280 E284 A304 L315 | S276-K302 CarbonylContact O-C 3.51Å; S276-K302 VanDerWaalsContact O-CA 3.3Å; S276-K302 WeakPolarHBondContact O-CA 3.37Å; L280-K302 HydrophobicContact CD1-CB 4.35Å; E284-K302 HydrophobicContact CB-CB 4.12Å; E284-K302 HydrophobicContact CB-CD 4.43Å; E284-K302 HydrophobicContact CG-CD 4.05Å; E284-K302 WeakPolarHBondContact O-CB 3.2Å; E284-K302 PolarHBondContact O-N 3.39Å; E284-K302 IonicContact OE1-NZ 2.75Å; E284-K302 PolarHBondContact OE1-NZ 3.3Å; K302-A304 PolarHBondContact O-N 2.74Å; K302-L315 VanDerWaalsContact O-CD1 3.3Å; K302-L315 WeakPolarHBondContact O-CD1 3.3Å |
| 303 | M | 90.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | trans | -84.6 | 101.9 | 169 | -170.1 | 171.6 | -79.3 | 0 | 0 | 109.8 | V196 W199 L200 F210 L211 V275 S276 T312 | V196-M303 HydrophobicContact CG1-CB 4.32Å; V196-M303 HydrophobicContact CG1-SD 3.67Å; W199-M303 HydrophobicContact CZ3-CG 4.07Å; W199-M303 HydrophobicContact CZ3-SD 4.4Å; L200-M303 HydrophobicContact CD1-SD 3.91Å; L200-M303 HydrophobicContact CD2-SD 4.07Å; L200-M303 HydrophobicContact CG-SD 4.28Å; F210-M303 HydrophobicContact CD1-CE 4.29Å; F210-M303 HydrophobicContact CE1-CE 3.86Å; F210-M303 HydrophobicContact CE1-SD 4.14Å; L211-M303 HydrophobicContact CD2-CE 4.26Å; V275-M303 HydrophobicContact CG1-CB 3.79Å; V275-M303 HydrophobicContact CG1-CE 3.62Å; V275-M303 HydrophobicContact CG1-SD 4.41Å; S276-M303 PolarHBondContact O-N 3.32Å; M303-T312 HydrophobicContact CE-CG2 3.98Å | ||
| 304 | A | 84.5 | Confident | 89.8 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 23% | 0.231 | 15% | 0.145 | C | C | . | . | trans | -96.4 | -18.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K302 Y311 | K302-A304 PolarHBondContact O-N 2.74Å; A304-Y311 HydrophobicContact CB-CD1 4.31Å; A304-Y311 HydrophobicContact CB-CE1 3.88Å | ||
| 305 | D | 85.3 | Confident | 90.1 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 15% | 0.15 | 13% | 0.127 | C | C | . | . | trans | -130.9 | 121.5 | -178.4 | -165.6 | -29.2 | 0 | 0 | 0 | 111.1 | F307 Q308 | D305-F307 WeakPolarHBondContact OD1-CA 3.3Å; D305-F307 WeakPolarHBondContact OD1-CB 3.3Å; D305-F307 PolarHBondContact OD1-N 3.01Å; D305-Q308 PolarHBondContact OD1-N 3.01Å; D305-Q308 VanDerWaalsContact OD1-N 3.08Å | ||
| 306 | K | 85.1 | Confident | 90.6 | Very high | 79 Ų | 79 | 24.6 Ų | 24.6 | 34% | 0.343 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -89.7 | -10.7 | 177.2 | 65.1 | -179.5 | -176.7 | -176.7 | 0 | 114.6 | W199 L200 | W199-K306 HydrophobicContact CE3-CB 4.29Å; W199-K306 HydrophobicContact CH2-CB 3.59Å; W199-K306 HydrophobicContact CH2-CD 4.32Å; W199-K306 HydrophobicContact CH2-CG 4.03Å; W199-K306 HydrophobicContact CZ2-CB 4.13Å; W199-K306 HydrophobicContact CZ2-CD 4.01Å; W199-K306 HydrophobicContact CZ2-CG 4.1Å; W199-K306 HydrophobicContact CZ3-CB 3.66Å; L200-K306 HydrophobicContact CD2-CB 3.34Å |
| 307 | F | 82.5 | Confident | 90.9 | Very high | 95 Ų | 95 | 16.8 Ų | 16.8 | 42% | 0.417 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -102.8 | -24.5 | -176.3 | -59.8 | -73.6 | 0 | 0 | 0 | 112.5 | R112 D305 | R112-F307 PolarHBondContact NH1-O 3.39Å; D305-F307 WeakPolarHBondContact OD1-CA 3.3Å; D305-F307 WeakPolarHBondContact OD1-CB 3.3Å; D305-F307 PolarHBondContact OD1-N 3.01Å |
| 308 | Q | 83.3 | Confident | 90.9 | Very high | 24 Ų | 24 | 16.8 Ų | 16.8 | 11% | 0.112 | 8% | 0.081 | C | C | . | . | trans | -126.8 | 112.3 | -176.1 | -61.7 | -174.7 | -18.1 | 0 | 0 | 111.3 | L123 M141 D305 F310 | L123-Q308 HydrophobicContact CD1-CG 4.19Å; L123-Q308 VanDerWaalsContact CD1-NE2 3.31Å; M141-Q308 PolarHBondContact SD-NE2 2.86Å; D305-Q308 PolarHBondContact OD1-N 3.01Å; D305-Q308 VanDerWaalsContact OD1-N 3.08Å; Q308-F310 VanDerWaalsContact C-N 3.27Å; Q308-F310 PolarHBondContact O-N 2.86Å | ||
| 309 | P | 91 | Very high | 90.9 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 6% | 0.058 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.4 | -28.7 | -179.6 | 26 | -33.4 | 0 | 0 | 0 | 112.6 | F210 E213 C214 I217 Y311 T312 S313 | F210-P309 HydrophobicContact CE2-CB 4.15Å; F210-P309 HydrophobicContact CZ-CB 4.21Å; E213-P309 HydrophobicContact CB-CB 4.18Å; E213-P309 HydrophobicContact CB-CG 4.21Å; C214-P309 HydrophobicContact CB-CB 4.44Å; C214-P309 WeakPolarHBondContact SG-CB 3.36Å; I217-P309 HydrophobicContact CD1-CB 4.27Å; I217-P309 HydrophobicContact CD1-CG 4.1Å; P309-Y311 VanDerWaalsContact C-N 3.31Å; P309-Y311 PolarHBondContact O-N 2.73Å; P309-T312 WeakPolarHBondContact O-CB 3.44Å; P309-T312 PolarHBondContact O-N 3.34Å; P309-T312 VanDerWaalsContact O-N 3.12Å; P309-S313 PolarHBondContact O-N 3.26Å; P309-S313 PolarHBondContact O-OG 3.1Å |
| 310 | F | 91 | Very high | 91 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -53.9 | -42.2 | -172.1 | -172.1 | -88.1 | 0 | 0 | 0 | 114.1 | S114 I116 T121 L123 M143 I217 M221 Q308 S313 V314 Y361 | S114-F310 WeakPolarHBondContact OG-CD2 3.48Å; I116-F310 HydrophobicContact CD1-CE2 4.35Å; I116-F310 HydrophobicContact CD1-CZ 4.5Å; T121-F310 HydrophobicContact CG2-CD1 4.39Å; T121-F310 HydrophobicContact CG2-CD2 4.34Å; T121-F310 HydrophobicContact CG2-CE1 4.01Å; T121-F310 HydrophobicContact CG2-CE2 3.94Å; T121-F310 HydrophobicContact CG2-CZ 3.76Å; L123-F310 HydrophobicContact CD2-CB 3.9Å; L123-F310 HydrophobicContact CD2-CD2 4.48Å; L123-F310 HydrophobicContact CD2-CG 4.15Å; M143-F310 HydrophobicContact CE-CD1 4.07Å; M143-F310 HydrophobicContact CE-CE1 3.68Å; M143-F310 HydrophobicContact SD-CD1 3.6Å; M143-F310 VanDerWaalsContact SD-CD1 3.6Å; M143-F310 HydrophobicContact SD-CE1 3.88Å; I217-F310 HydrophobicContact CD1-CB 4.26Å; I217-F310 HydrophobicContact CD1-CD2 4.28Å; I217-F310 HydrophobicContact CG2-CD2 3.92Å; I217-F310 HydrophobicContact CG2-CE2 4.15Å; M221-F310 HydrophobicContact CE-CE2 4.02Å; M221-F310 HydrophobicContact CE-CZ 3.97Å; Q308-F310 VanDerWaalsContact C-N 3.27Å; Q308-F310 PolarHBondContact O-N 2.86Å; F310-S313 VanDerWaalsContact O-CB 3.3Å; F310-S313 WeakPolarHBondContact O-CB 3.19Å; F310-S313 PolarHBondContact O-N 3.49Å; F310-V314 HydrophobicContact CD1-CG2 4.23Å; F310-V314 HydrophobicContact CE1-CG2 3.81Å; F310-V314 HydrophobicContact CZ-CG2 4.35Å; F310-V314 PolarHBondContact O-N 3.39Å; F310-V314 VanDerWaalsContact O-N 3.08Å; F310-Y361 AromaticContact CE1-CD2 3.84Å; F310-Y361 HydrophobicContact CE1-CD2 3.84Å; F310-Y361 AromaticContact CE1-CE2 3.92Å; F310-Y361 HydrophobicContact CE1-CE2 3.92Å; F310-Y361 AromaticContact CZ-CD2 3.99Å; F310-Y361 HydrophobicContact CZ-CD2 3.99Å; F310-Y361 HydrophobicContact CZ-CE2 4.49Å |
| 311 | Y | 88 | Confident | 91.2 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 6% | 0.055 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.6 | -49.1 | 179.7 | -178.3 | -100.8 | 0 | 0 | 0 | 111.8 | A149 E284 A304 P309 S313 V314 L315 F351 | A149-Y311 VanDerWaalsContact CB-OH 3.28Å; A149-Y311 WeakPolarHBondContact CB-OH 3.04Å; E284-Y311 WeakPolarHBondContact OE2-CE1 3.24Å; E284-Y311 PolarHBondContact OE2-OH 2.83Å; A304-Y311 HydrophobicContact CB-CD1 4.31Å; A304-Y311 HydrophobicContact CB-CE1 3.88Å; P309-Y311 VanDerWaalsContact C-N 3.31Å; P309-Y311 PolarHBondContact O-N 2.73Å; Y311-S313 PolarHBondContact O-N 2.94Å; Y311-V314 PolarHBondContact O-N 3.19Å; Y311-V314 VanDerWaalsContact O-N 3.12Å; Y311-L315 HydrophobicContact CD1-CD1 4.23Å; Y311-L315 HydrophobicContact CE1-CD1 3.66Å; Y311-L315 HydrophobicContact CE1-CG 4.23Å; Y311-L315 PolarHBondContact O-N 3.21Å; Y311-F351 HydrophobicContact CD2-CZ 4.06Å; Y311-F351 AromaticContact CE2-CE2 3.84Å; Y311-F351 HydrophobicContact CE2-CE2 3.84Å; Y311-F351 AromaticContact CE2-CZ 3.64Å; Y311-F351 HydrophobicContact CE2-CZ 3.64Å |
| 312 | T | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.4 | -40 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | I301 M303 P309 V314 L315 M316 | I301-T312 HydrophobicContact CD1-CG2 3.76Å; M303-T312 HydrophobicContact CE-CG2 3.98Å; P309-T312 WeakPolarHBondContact O-CB 3.44Å; P309-T312 PolarHBondContact O-N 3.34Å; P309-T312 VanDerWaalsContact O-N 3.12Å; T312-V314 PolarHBondContact O-N 3.14Å; T312-L315 PolarHBondContact O-N 2.99Å; T312-M316 HydrophobicContact CG2-CG 4.41Å; T312-M316 HydrophobicContact CG2-SD 4.24Å; T312-M316 VanDerWaalsContact O-CG 3.27Å; T312-M316 WeakPolarHBondContact O-CG 3.43Å; T312-M316 PolarHBondContact O-N 2.85Å |
| 313 | S | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | C214 I217 V218 P309 F310 Y311 M316 A317 | C214-S313 WeakPolarHBondContact CA-OG 3.33Å; C214-S313 WeakPolarHBondContact O-CB 3.38Å; C214-S313 PolarHBondContact O-OG 3.34Å; I217-S313 WeakPolarHBondContact CB-OG 3.11Å; V218-S313 WeakPolarHBondContact CG2-O 3.48Å; P309-S313 PolarHBondContact O-N 3.26Å; P309-S313 PolarHBondContact O-OG 3.1Å; F310-S313 VanDerWaalsContact O-CB 3.3Å; F310-S313 WeakPolarHBondContact O-CB 3.19Å; F310-S313 PolarHBondContact O-N 3.49Å; Y311-S313 PolarHBondContact O-N 2.94Å; S313-M316 PolarHBondContact O-N 3.13Å; S313-A317 WeakPolarHBondContact O-CB 3.37Å; S313-A317 PolarHBondContact O-N 3.49Å |
| 314 | V | 92.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.03 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | M221 F310 Y311 T312 A317 H318 Y349 Y361 | M221-V314 HydrophobicContact CE-CG2 3.71Å; F310-V314 HydrophobicContact CD1-CG2 4.23Å; F310-V314 HydrophobicContact CE1-CG2 3.81Å; F310-V314 HydrophobicContact CZ-CG2 4.35Å; F310-V314 PolarHBondContact O-N 3.39Å; F310-V314 VanDerWaalsContact O-N 3.08Å; Y311-V314 PolarHBondContact O-N 3.19Å; Y311-V314 VanDerWaalsContact O-N 3.12Å; T312-V314 PolarHBondContact O-N 3.14Å; V314-A317 PolarHBondContact O-N 3.15Å; V314-H318 PolarHBondContact O-N 3Å; V314-Y349 HydrophobicContact CG1-CE1 3.95Å; V314-Y361 HydrophobicContact CG1-CD1 3.78Å; V314-Y361 HydrophobicContact CG1-CE1 3.94Å; V314-Y361 HydrophobicContact CG1-CG 4.38Å; V314-Y361 HydrophobicContact CG2-CD1 4.2Å; V314-Y361 HydrophobicContact CG2-CD2 4.13Å; V314-Y361 HydrophobicContact CG2-CE1 4.47Å; V314-Y361 HydrophobicContact CG2-CE2 4.42Å; V314-Y361 HydrophobicContact CG2-CG 4.02Å |
| 315 | L | 92.5 | Very high | 92 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.5 | -62.7 | -177.9 | 0 | 0 | 0 | 112.1 | E284 T285 I301 K302 Y311 T312 S319 Y349 | E284-L315 HydrophobicContact CB-CD1 4.21Å; E284-L315 HydrophobicContact CB-CD2 4.39Å; T285-L315 HydrophobicContact CG2-CD2 4.3Å; I301-L315 HydrophobicContact CB-CB 4.3Å; I301-L315 HydrophobicContact CG2-CB 4.01Å; K302-L315 VanDerWaalsContact O-CD1 3.3Å; K302-L315 WeakPolarHBondContact O-CD1 3.3Å; Y311-L315 HydrophobicContact CD1-CD1 4.23Å; Y311-L315 HydrophobicContact CE1-CD1 3.66Å; Y311-L315 HydrophobicContact CE1-CG 4.23Å; Y311-L315 PolarHBondContact O-N 3.21Å; T312-L315 PolarHBondContact O-N 2.99Å; L315-S319 WeakPolarHBondContact O-CB 3.24Å; L315-S319 PolarHBondContact O-N 3.43Å; L315-S319 PolarHBondContact O-OG 3.48Å; L315-S319 VanDerWaalsContact O-OG 3.13Å; L315-Y349 HydrophobicContact CD2-CE2 3.83Å |
| 316 | M | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.7 | -68.8 | 177.7 | 79.7 | 0 | 0 | 110.9 | L188 I190 C214 V215 V218 L273 I301 T312 S313 H318 S319 I320 | L188-M316 HydrophobicContact CD2-CE 3.93Å; I190-M316 HydrophobicContact CD1-CE 3.74Å; I190-M316 HydrophobicContact CG1-CE 4.35Å; C214-M316 HydrophobicContact CB-SD 3.71Å; V215-M316 HydrophobicContact CG2-CE 3.59Å; V218-M316 HydrophobicContact CG2-CB 3.67Å; V218-M316 HydrophobicContact CG2-SD 4.36Å; L273-M316 HydrophobicContact CD1-CB 3.9Å; L273-M316 HydrophobicContact CD1-CE 3.87Å; L273-M316 HydrophobicContact CD1-CG 3.86Å; I301-M316 HydrophobicContact CD1-CG 3.4Å; I301-M316 HydrophobicContact CD1-SD 4.35Å; T312-M316 HydrophobicContact CG2-CG 4.41Å; T312-M316 HydrophobicContact CG2-SD 4.24Å; T312-M316 VanDerWaalsContact O-CG 3.27Å; T312-M316 WeakPolarHBondContact O-CG 3.43Å; T312-M316 PolarHBondContact O-N 2.85Å; S313-M316 PolarHBondContact O-N 3.13Å; M316-H318 PolarHBondContact O-N 2.99Å; M316-S319 PolarHBondContact O-N 3.17Å; M316-I320 WeakPolarHBondContact O-CB 3.38Å; M316-I320 WeakPolarHBondContact O-CD1 3.15Å; M316-I320 VanDerWaalsContact O-CG1 3.24Å; M316-I320 WeakPolarHBondContact O-CG1 3.02Å; M316-I320 PolarHBondContact O-N 2.74Å |
| 317 | A | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V218 M221 F222 S313 V314 I320 G321 I344 F363 | V218-A317 HydrophobicContact CG1-CB 4.48Å; M221-A317 HydrophobicContact SD-CB 3.8Å; F222-A317 HydrophobicContact CE2-CB 4.11Å; F222-A317 WeakPolarHBondContact CZ-O 3.4Å; S313-A317 WeakPolarHBondContact O-CB 3.37Å; S313-A317 PolarHBondContact O-N 3.49Å; V314-A317 PolarHBondContact O-N 3.15Å; A317-I320 PolarHBondContact O-N 3.1Å; A317-G321 PolarHBondContact O-N 2.8Å; A317-I344 HydrophobicContact CB-CG2 4.08Å; A317-F363 HydrophobicContact CB-CZ 4.48Å |
| 318 | H | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.7 | 179.8 | 107.1 | 0 | 0 | 0 | 112.8 | C151 V314 M316 I320 G321 H322 H328 I344 G346 Y349 | C151-H318 WeakPolarHBondContact CB-NE2 3.41Å; C151-H318 PolarHBondContact SG-NE2 3.21Å; V314-H318 PolarHBondContact O-N 3Å; M316-H318 PolarHBondContact O-N 2.99Å; H318-I320 VanDerWaalsContact C-N 3.3Å; H318-I320 PolarHBondContact O-N 2.83Å; H318-G321 PolarHBondContact O-N 2.8Å; H318-G321 VanDerWaalsContact O-N 3.16Å; H318-H322 AromaticContact CD2-CD2 3.56Å; H318-H322 AromaticContact CD2-NE2 3.88Å; H318-H322 AromaticContact CE1-NE2 3.82Å; H318-H322 AromaticContact NE2-CD2 3.35Å; H318-H322 PolarHBondContact NE2-CD2 2.88Å; H318-H322 VanDerWaalsContact NE2-CD2 3.35Å; H318-H322 AromaticContact NE2-NE2 3.16Å; H318-H322 PolarHBondContact NE2-NE2 3.12Å; H318-H322 VanDerWaalsContact NE2-NE2 3.16Å; H318-H322 PolarHBondContact O-N 3.23Å; H318-H328 AromaticContact CE1-CD2 3.78Å; H318-H328 AromaticContact CE1-NE2 3.6Å; H318-H328 AromaticContact NE2-NE2 3.56Å; H318-I344 HydrophobicContact CB-CG2 4.1Å; H318-I344 PolarHBondContact ND1-O 3.23Å; H318-G346 PolarHBondContact CE1-O 3.3Å; H318-Y349 WeakPolarHBondContact CB-OH 3.46Å; H318-Y349 AromaticContact CG-CZ 3.95Å; H318-Y349 AromaticContact ND1-CZ 3.71Å; H318-Y349 PolarHBondContact ND1-OH 2.88Å; H318-Y349 VanDerWaalsContact ND1-OH 3.17Å |
| 319 | S | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.3 | -76.6 | 0 | 0 | 0 | 0 | 112 | T285 S287 I301 L315 M316 H322 I323 | T285-S319 PolarHBondContact OG1-OG 3.31Å; S287-S319 WeakPolarHBondContact CB-O 3.43Å; S287-S319 VanDerWaalsContact OG-CA 3.23Å; S287-S319 WeakPolarHBondContact OG-CA 3.35Å; S287-S319 VanDerWaalsContact OG-CB 3.29Å; S287-S319 WeakPolarHBondContact OG-CB 3.29Å; S287-S319 PolarHBondContact OG-O 2.94Å; I301-S319 WeakPolarHBondContact CG2-OG 3.16Å; L315-S319 WeakPolarHBondContact O-CB 3.24Å; L315-S319 PolarHBondContact O-N 3.43Å; L315-S319 PolarHBondContact O-OG 3.48Å; L315-S319 VanDerWaalsContact O-OG 3.13Å; M316-S319 PolarHBondContact O-N 3.17Å; S319-H322 PolarHBondContact O-N 3.04Å; S319-I323 WeakPolarHBondContact O-CG1 3.29Å; S319-I323 PolarHBondContact O-N 2.83Å |
| 320 | I | 97.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 177.6 | -65.6 | 163.7 | 0 | 0 | 0 | 110 | L188 V218 F222 L273 M316 A317 H318 H322 I323 L324 | L188-I320 HydrophobicContact CD1-CD1 4.17Å; L188-I320 HydrophobicContact CD1-CG1 4.49Å; L188-I320 HydrophobicContact CD2-CD1 4.16Å; V218-I320 HydrophobicContact CG1-CD1 3.94Å; F222-I320 HydrophobicContact CE1-CG2 4.21Å; F222-I320 HydrophobicContact CE2-CB 3.89Å; F222-I320 HydrophobicContact CE2-CD1 4.23Å; F222-I320 HydrophobicContact CE2-CG2 3.73Å; F222-I320 HydrophobicContact CZ-CB 3.69Å; F222-I320 HydrophobicContact CZ-CG2 3.41Å; F222-I320 VanDerWaalsContact CZ-CG2 3.41Å; L273-I320 HydrophobicContact CD1-CD1 4.1Å; L273-I320 HydrophobicContact CD1-CG1 4.08Å; M316-I320 WeakPolarHBondContact O-CB 3.38Å; M316-I320 WeakPolarHBondContact O-CD1 3.15Å; M316-I320 VanDerWaalsContact O-CG1 3.24Å; M316-I320 WeakPolarHBondContact O-CG1 3.02Å; M316-I320 PolarHBondContact O-N 2.74Å; A317-I320 PolarHBondContact O-N 3.1Å; H318-I320 VanDerWaalsContact C-N 3.3Å; H318-I320 PolarHBondContact O-N 2.83Å; I320-H322 VanDerWaalsContact C-N 3.34Å; I320-H322 PolarHBondContact O-N 3.25Å; I320-I323 WeakPolarHBondContact O-CB 3.09Å; I320-I323 PolarHBondContact O-N 2.71Å; I320-I323 VanDerWaalsContact O-N 3.1Å; I320-L324 HydrophobicContact CG2-CD1 3.78Å; I320-L324 HydrophobicContact CG2-CG 4.09Å; I320-L324 WeakPolarHBondContact O-CB 2.86Å; I320-L324 VanDerWaalsContact O-CG 3.28Å; I320-L324 WeakPolarHBondContact O-CG 3.25Å; I320-L324 PolarHBondContact O-N 2.8Å |
| 321 | G | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A317 H318 L324 G325 M326 | A317-G321 PolarHBondContact O-N 2.8Å; H318-G321 PolarHBondContact O-N 2.8Å; H318-G321 VanDerWaalsContact O-N 3.16Å; G321-L324 CarbonylContact O-C 3.6Å; G321-L324 PolarHBondContact O-N 2.74Å; G321-G325 PolarHBondContact O-N 3.39Å; G321-M326 VanDerWaalsContact O-CB 3.29Å; G321-M326 WeakPolarHBondContact O-CB 3.16Å; G321-M326 WeakPolarHBondContact O-CG 3.48Å; G321-M326 PolarHBondContact O-N 3.17Å |
| 322 | H | 94.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 172.5 | -85.7 | -66 | 0 | 0 | 0 | 112.3 | N153 S289 D290 H318 S319 I320 L324 G325 M326 H328 | N153-H322 PolarHBondContact ND2-ND1 2.84Å; S289-H322 VanDerWaalsContact CA-O 3.23Å; S289-H322 WeakPolarHBondContact CA-O 3.26Å; S289-H322 PolarHBondContact OG-ND1 3.01Å; D290-H322 PolarHBondContact N-O 2.96Å; D290-H322 VanDerWaalsContact N-O 3.09Å; H318-H322 AromaticContact CD2-CD2 3.56Å; H318-H322 AromaticContact CD2-NE2 3.88Å; H318-H322 AromaticContact CE1-NE2 3.82Å; H318-H322 AromaticContact NE2-CD2 3.35Å; H318-H322 PolarHBondContact NE2-CD2 2.88Å; H318-H322 VanDerWaalsContact NE2-CD2 3.35Å; H318-H322 AromaticContact NE2-NE2 3.16Å; H318-H322 PolarHBondContact NE2-NE2 3.12Å; H318-H322 VanDerWaalsContact NE2-NE2 3.16Å; H318-H322 PolarHBondContact O-N 3.23Å; S319-H322 PolarHBondContact O-N 3.04Å; I320-H322 VanDerWaalsContact C-N 3.34Å; I320-H322 PolarHBondContact O-N 3.25Å; H322-L324 PolarHBondContact O-N 2.97Å; H322-G325 WeakPolarHBondContact O-CA 3.24Å; H322-G325 PolarHBondContact O-N 2.77Å; H322-M326 PolarHBondContact ND1-O 2.91Å; H322-H328 AromaticContact CE1-CD2 3.63Å; H322-H328 AromaticContact CE1-NE2 3.42Å; H322-H328 PolarHBondContact CE1-NE2 3.4Å; H322-H328 AromaticContact NE2-CD2 3.45Å; H322-H328 PolarHBondContact NE2-CD2 3.49Å; H322-H328 AromaticContact NE2-NE2 3Å; H322-H328 PolarHBondContact NE2-NE2 3.48Å |
| 323 | I | 95.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -36.4 | 177.3 | -64.6 | 168.4 | 0 | 0 | 0 | 110.8 | A271 L273 V288 A291 V292 A297 S319 I320 G325 | A271-I323 HydrophobicContact CB-CD1 4.11Å; A271-I323 HydrophobicContact CB-CG2 4.09Å; L273-I323 HydrophobicContact CD2-CD1 4.33Å; V288-I323 WeakPolarHBondContact O-CA 3.4Å; A291-I323 PolarHBondContact N-O 2.79Å; A291-I323 VanDerWaalsContact N-O 3.15Å; V292-I323 HydrophobicContact CB-CG2 4Å; V292-I323 PolarHBondContact N-O 2.86Å; V292-I323 VanDerWaalsContact N-O 3.1Å; A297-I323 HydrophobicContact CB-CG2 4.03Å; S319-I323 WeakPolarHBondContact O-CG1 3.29Å; S319-I323 PolarHBondContact O-N 2.83Å; I320-I323 WeakPolarHBondContact O-CB 3.09Å; I320-I323 PolarHBondContact O-N 2.71Å; I320-I323 VanDerWaalsContact O-N 3.1Å; I323-G325 PolarHBondContact O-N 2.87Å |
| 324 | L | 96 | Very high | 86 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 8.5 | 174.6 | -64.4 | 176 | 0 | 0 | 0 | 114.2 | V186 F222 I227 V292 I320 G321 H322 M326 F371 L383 | V186-L324 HydrophobicContact CG2-CD2 4.43Å; F222-L324 HydrophobicContact CD1-CD1 4.29Å; F222-L324 HydrophobicContact CE1-CD1 3.59Å; F222-L324 HydrophobicContact CZ-CD1 4.13Å; I227-L324 HydrophobicContact CD1-CD1 3.92Å; V292-L324 HydrophobicContact CB-CD2 4.1Å; V292-L324 HydrophobicContact CG1-CD2 4.39Å; V292-L324 HydrophobicContact CG2-CD2 3.77Å; I320-L324 HydrophobicContact CG2-CD1 3.78Å; I320-L324 HydrophobicContact CG2-CG 4.09Å; I320-L324 WeakPolarHBondContact O-CB 2.86Å; I320-L324 VanDerWaalsContact O-CG 3.28Å; I320-L324 WeakPolarHBondContact O-CG 3.25Å; I320-L324 PolarHBondContact O-N 2.8Å; G321-L324 CarbonylContact O-C 3.6Å; G321-L324 PolarHBondContact O-N 2.74Å; H322-L324 PolarHBondContact O-N 2.97Å; L324-M326 HydrophobicContact CB-CE 4.14Å; L324-M326 HydrophobicContact CD1-CE 4.2Å; L324-F371 HydrophobicContact CB-CD2 3.97Å; L324-F371 HydrophobicContact CB-CE2 4.27Å; L324-F371 HydrophobicContact CD1-CE2 4.47Å; L324-F371 HydrophobicContact CD2-CE2 4.01Å; L324-F371 HydrophobicContact CG-CE2 4.49Å; L324-L383 HydrophobicContact CD2-CD1 3.86Å |
| 325 | G | 91 | Very high | 85 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 13.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | D290 G321 H322 I323 | D290-G325 WeakPolarHBondContact OD1-CA 3.47Å; G321-G325 PolarHBondContact O-N 3.39Å; H322-G325 WeakPolarHBondContact O-CA 3.24Å; H322-G325 PolarHBondContact O-N 2.77Å; I323-G325 PolarHBondContact O-N 2.87Å |
| 326 | M | 92 | Very high | 83.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 129.8 | 175 | -53.3 | 174.6 | -166.1 | 0 | 0 | 109.9 | F222 L225 G321 H322 L324 M345 F363 F371 | F222-M326 HydrophobicContact CE1-CE 4.33Å; L225-M326 HydrophobicContact CD1-CE 3.25Å; L225-M326 HydrophobicContact CD1-SD 4.26Å; G321-M326 VanDerWaalsContact O-CB 3.29Å; G321-M326 WeakPolarHBondContact O-CB 3.16Å; G321-M326 WeakPolarHBondContact O-CG 3.48Å; G321-M326 PolarHBondContact O-N 3.17Å; H322-M326 PolarHBondContact ND1-O 2.91Å; L324-M326 HydrophobicContact CB-CE 4.14Å; L324-M326 HydrophobicContact CD1-CE 4.2Å; M326-M345 HydrophobicContact CB-CE 3.86Å; M326-M345 HydrophobicContact CB-CG 4.03Å; M326-M345 HydrophobicContact CB-SD 4.12Å; M326-M345 WeakPolarHBondContact O-CE 3.43Å; M326-M345 HydrophobicContact SD-CG 4.29Å; M326-M345 HydrophobicContact SD-SD 4.41Å; M326-F363 HydrophobicContact CE-CE1 4.39Å; M326-F363 HydrophobicContact SD-CD1 3.67Å; M326-F363 HydrophobicContact SD-CE1 3.6Å; M326-F363 VanDerWaalsContact SD-CE1 3.6Å; M326-F371 HydrophobicContact CE-CB 3.79Å; M326-F371 HydrophobicContact CE-CD2 4.43Å; M326-F371 HydrophobicContact CE-CG 4.09Å; M326-F371 HydrophobicContact CG-CB 4.3Å |
| 327 | S | 87.3 | Confident | 82.3 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 173.6 | 173.6 | 65 | 0 | 0 | 0 | 0 | 112 | D370 | S327-D370 WeakPolarHBondContact CB-OD2 3.28Å; S327-D370 PolarHBondContact N-OD2 3.05Å; S327-D370 PolarHBondContact OG-OD2 3.2Å |
| 328 | H | 87.4 | Confident | 80.7 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.111 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 138.5 | 175.8 | -64.5 | 153.5 | 0 | 0 | 0 | 111.7 | N153 H318 H322 D330 M345 G347 | N153-H328 PolarHBondContact O-CE1 2.96Å; H318-H328 AromaticContact CE1-CD2 3.78Å; H318-H328 AromaticContact CE1-NE2 3.6Å; H318-H328 AromaticContact NE2-NE2 3.56Å; H322-H328 AromaticContact CE1-CD2 3.63Å; H322-H328 AromaticContact CE1-NE2 3.42Å; H322-H328 PolarHBondContact CE1-NE2 3.4Å; H322-H328 AromaticContact NE2-CD2 3.45Å; H322-H328 PolarHBondContact NE2-CD2 3.49Å; H322-H328 AromaticContact NE2-NE2 3Å; H322-H328 PolarHBondContact NE2-NE2 3.48Å; H328-D330 VanDerWaalsContact C-N 3.34Å; H328-M345 WeakPolarHBondContact CA-O 3.45Å; H328-G347 WeakPolarHBondContact ND1-CA 3.07Å |
| 329 | D | 80.9 | Confident | 79.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -79.6 | -14.8 | -179.9 | -68.2 | -28 | 0 | 0 | 0 | 113.1 | N331 D332 C335 S343 M345 T364 C366 S367 | D329-N331 PolarHBondContact O-N 3.09Å; D329-D332 PolarHBondContact O-N 2.66Å; D329-C335 HydrophobicContact CB-CB 4.02Å; D329-S343 WeakPolarHBondContact OD2-CB 3.31Å; D329-S343 PolarHBondContact OD2-OG 3.11Å; D329-M345 PolarHBondContact N-O 2.88Å; D329-M345 VanDerWaalsContact N-O 3.13Å; D329-T364 PolarHBondContact OD1-OG1 3.02Å; D329-T364 VanDerWaalsContact OD1-OG1 3.09Å; D329-T364 WeakPolarHBondContact OD2-CB 3.43Å; D329-T364 WeakPolarHBondContact OD2-CG2 3.23Å; D329-T364 PolarHBondContact OD2-OG1 3.09Å; D329-C366 WeakPolarHBondContact OD1-CB 3.43Å; D329-S367 PolarHBondContact OD1-OG 3.46Å; D329-S367 PolarHBondContact OD2-OG 2.01Å |
| 330 | D | 70.4 | Confident | 78.1 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -58.6 | -22.2 | -171.4 | -59.6 | -7.3 | 0 | 0 | 0 | 115.1 | H328 G346 G347 L348 | H328-D330 VanDerWaalsContact C-N 3.34Å; D330-G346 VanDerWaalsContact OD1-CA 3.3Å; D330-G346 WeakPolarHBondContact OD1-CA 3.46Å; D330-G347 PolarHBondContact OD1-N 3.11Å; D330-G347 WeakPolarHBondContact OD2-CA 2.92Å; D330-G347 PolarHBondContact OD2-N 3.3Å; D330-L348 PolarHBondContact OD2-N 2.99Å; D330-L348 VanDerWaalsContact OD2-N 3.13Å |
| 331 | N | 60.1 | Low | 77.1 | Confident | 124 Ų | 124 | 53 Ų | 53 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -92.6 | -1 | -173.6 | -76.7 | -27.3 | 0 | 0 | 0 | 113.9 | D155 D329 | D155-N331 PolarHBondContact OD2-ND2 3.15Å; D329-N331 PolarHBondContact O-N 3.09Å |
| 332 | D | 59.6 | Low | 76.3 | Confident | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | trans | -134.1 | 103.6 | -170.6 | -167.3 | -7 | 0 | 0 | 0 | 110.7 | R168 D329 E334 C335 | R168-D332 IonicContact CZ-OD2 3.17Å; R168-D332 IonicContact NH1-OD2 2.61Å; R168-D332 PolarHBondContact NH1-OD2 2.87Å; R168-D332 IonicContact NH2-OD2 2.78Å; R168-D332 PolarHBondContact NH2-OD2 3.14Å; D329-D332 PolarHBondContact O-N 2.66Å; D332-E334 PolarHBondContact O-N 3.45Å; D332-E334 WeakPolarHBondContact OD1-CB 3.4Å; D332-E334 PolarHBondContact OD1-N 3.25Å; D332-C335 WeakPolarHBondContact CB-SG 3.35Å; D332-C335 VanDerWaalsContact O-CB 3.31Å; D332-C335 WeakPolarHBondContact O-CB 3.49Å; D332-C335 PolarHBondContact O-N 3.37Å | ||
| 333 | F | 61.2 | Low | 75.9 | Confident | 192 Ų | 192 | 55.6 Ų | 55.6 | 84% | 0.842 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -56.4 | -20.6 | 176.7 | -77.5 | -81.7 | 0 | 0 | 0 | 112.8 | C335 D336 | F333-C335 PolarHBondContact O-N 3.1Å; F333-D336 PolarHBondContact O-N 3.09Å |
| 334 | E | 68.5 | Low | 75.7 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 73% | 0.729 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -71.2 | -15.2 | 173.8 | -63.3 | -175.4 | 169.6 | 0 | 0 | 113.1 | D332 | D332-E334 PolarHBondContact O-N 3.45Å; D332-E334 WeakPolarHBondContact OD1-CB 3.4Å; D332-E334 PolarHBondContact OD1-N 3.25Å |
| 335 | C | 71.3 | Confident | 75.3 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.081 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -93.3 | -6 | 180 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | D329 D332 F333 D337 C366 | D329-C335 HydrophobicContact CB-CB 4.02Å; D332-C335 WeakPolarHBondContact CB-SG 3.35Å; D332-C335 VanDerWaalsContact O-CB 3.31Å; D332-C335 WeakPolarHBondContact O-CB 3.49Å; D332-C335 PolarHBondContact O-N 3.37Å; F333-C335 PolarHBondContact O-N 3.1Å; C335-D337 PolarHBondContact O-N 3.35Å; C335-C366 VanDerWaalsContact CA-SG 3.54Å; C335-C366 HydrophobicContact CB-CB 3.79Å; C335-C366 WeakPolarHBondContact CB-SG 3.14Å; C335-C366 WeakPolarHBondContact SG-CB 3.41Å; C335-C366 CovalentContact SG-SG 2.01Å; C335-C366 PolarHBondContact SG-SG 2.98Å |
| 336 | D | 67.5 | Low | 75 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | trans | -65.2 | 118.4 | 174.2 | -84.6 | -19.4 | 0 | 0 | 0 | 109.7 | F333 | F333-D336 PolarHBondContact O-N 3.09Š| ||
| 337 | D | 65.2 | Low | 73.7 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | trans | -76 | 130 | 179.5 | 179.7 | -97.9 | 0 | 0 | 0 | 111.8 | C335 D339 G340 F341 | C335-D337 PolarHBondContact O-N 3.35Å; D337-D339 VanDerWaalsContact C-N 3.27Å; D337-D339 PolarHBondContact O-N 2.98Å; D337-D339 WeakPolarHBondContact OD1-CA 3.39Å; D337-D339 WeakPolarHBondContact OD1-CB 3.48Å; D337-D339 PolarHBondContact OD1-N 3.06Å; D337-G340 PolarHBondContact O-N 3.41Å; D337-G340 VanDerWaalsContact O-N 3.09Å; D337-G340 PolarHBondContact OD1-N 3.48Å; D337-G340 VanDerWaalsContact OD1-N 3.09Å; D337-F341 HydrophobicContact CB-CD1 3.72Å; D337-F341 HydrophobicContact CB-CD2 4.13Å; D337-F341 HydrophobicContact CB-CE1 3.39Å; D337-F341 HydrophobicContact CB-CE2 3.76Å; D337-F341 HydrophobicContact CB-CG 4.11Å; D337-F341 HydrophobicContact CB-CZ 3.37Å; D337-F341 VanDerWaalsContact CG-CZ 3.4Å; D337-F341 WeakPolarHBondContact OD1-CD1 3.43Å; D337-F341 VanDerWaalsContact OD1-CE1 3.25Å; D337-F341 WeakPolarHBondContact OD1-CE1 3.04Å; D337-F341 WeakPolarHBondContact OD2-CE1 3.06Å; D337-F341 WeakPolarHBondContact OD2-CZ 3.28Å | ||
| 338 | P | 63.1 | Low | 72.4 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 75% | 0.747 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.8 | 179.5 | 20 | -28.8 | 0 | 0 | 0 | 114 | G340 | P338-G340 VanDerWaalsContact C-N 3.27Å; P338-G340 PolarHBondContact O-N 3.17Å |
| 339 | D | 66.7 | Low | 70.7 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.9 | 177.1 | -60.8 | -34.7 | 0 | 0 | 0 | 112.6 | D337 R358 | D337-D339 VanDerWaalsContact C-N 3.27Å; D337-D339 PolarHBondContact O-N 2.98Å; D337-D339 WeakPolarHBondContact OD1-CA 3.39Å; D337-D339 WeakPolarHBondContact OD1-CB 3.48Å; D337-D339 PolarHBondContact OD1-N 3.06Å; D339-R358 PolarHBondContact O-NH1 3.13Å |
| 340 | G | 67.1 | Low | 68.8 | Low | 20 Ų | 20 | 60.2 Ų | 60.2 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | trans | 68.9 | 37.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | D337 P338 | D337-G340 PolarHBondContact O-N 3.41Å; D337-G340 VanDerWaalsContact O-N 3.09Å; D337-G340 PolarHBondContact OD1-N 3.48Å; D337-G340 VanDerWaalsContact OD1-N 3.09Å; P338-G340 VanDerWaalsContact C-N 3.27Å; P338-G340 PolarHBondContact O-N 3.17Å | ||
| 341 | F | 77.1 | Confident | 67.4 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 166.8 | 164.6 | 63.7 | -114.4 | 0 | 0 | 0 | 111.6 | D337 I360 R362 T364 | D337-F341 HydrophobicContact CB-CD1 3.72Å; D337-F341 HydrophobicContact CB-CD2 4.13Å; D337-F341 HydrophobicContact CB-CE1 3.39Å; D337-F341 HydrophobicContact CB-CE2 3.76Å; D337-F341 HydrophobicContact CB-CG 4.11Å; D337-F341 HydrophobicContact CB-CZ 3.37Å; D337-F341 VanDerWaalsContact CG-CZ 3.4Å; D337-F341 WeakPolarHBondContact OD1-CD1 3.43Å; D337-F341 VanDerWaalsContact OD1-CE1 3.25Å; D337-F341 WeakPolarHBondContact OD1-CE1 3.04Å; D337-F341 WeakPolarHBondContact OD2-CE1 3.06Å; D337-F341 WeakPolarHBondContact OD2-CZ 3.28Å; F341-I360 HydrophobicContact CB-CB 4.25Å; F341-I360 HydrophobicContact CB-CG2 4.36Å; F341-R362 HydrophobicContact CD1-CB 4.29Å; F341-R362 HydrophobicContact CD1-CG 4.41Å; F341-R362 HydrophobicContact CD2-CB 3.79Å; F341-R362 HydrophobicContact CE1-CB 4.16Å; F341-R362 HydrophobicContact CE2-CB 3.76Å; F341-R362 HydrophobicContact CG-CB 4.08Å; F341-R362 HydrophobicContact CG-CG 4.34Å; F341-R362 HydrophobicContact CZ-CB 3.95Å; F341-T364 HydrophobicContact CE2-CG2 3.81Å; F341-T364 HydrophobicContact CZ-CG2 4.19Å |
| 342 | I | 80.8 | Confident | 66.3 | Low | 43 Ų | 43 | 52.6 Ų | 52.6 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.8 | 174.5 | -56.4 | 174.9 | 0 | 0 | 0 | 108.1 | I344 K359 I360 Y361 R362 | I342-I344 PolarHBondContact O-N 3.23Å; I342-K359 HydrophobicContact CD1-CG 4.47Å; I342-I360 PolarHBondContact N-O 3.27Å; I342-Y361 HydrophobicContact CB-CD1 4.1Å; I342-Y361 HydrophobicContact CB-CE1 4.09Å; I342-Y361 HydrophobicContact CD1-CE1 4.21Å; I342-Y361 HydrophobicContact CG2-CD1 3.94Å; I342-Y361 HydrophobicContact CG2-CE1 3.71Å; I342-Y361 WeakPolarHBondContact O-CA 3.09Å; I342-R362 PolarHBondContact O-N 2.88Å; I342-R362 VanDerWaalsContact O-N 3.13Å |
| 343 | S | 85.9 | Confident | 65.2 | Low | 18 Ų | 18 | 55.5 Ų | 55.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.1 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | D329 M345 G346 R362 | D329-S343 WeakPolarHBondContact OD2-CB 3.31Å; D329-S343 PolarHBondContact OD2-OG 3.11Å; S343-M345 PolarHBondContact O-N 2.9Å; S343-M345 PolarHBondContact OG-N 3.33Å; S343-G346 PolarHBondContact O-N 2.64Å; S343-G346 PolarHBondContact OG-N 3.33Å; S343-R362 WeakPolarHBondContact CA-O 3.23Å |
| 344 | I | 89.9 | Confident | 64.4 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34 | 168.4 | -69.7 | 169.5 | 0 | 0 | 0 | 109.8 | M221 A317 H318 I342 R362 F363 | M221-I344 HydrophobicContact CB-CD1 4.13Å; M221-I344 HydrophobicContact CG-CD1 4.27Å; M221-I344 HydrophobicContact SD-CD1 4.08Å; A317-I344 HydrophobicContact CB-CG2 4.08Å; H318-I344 HydrophobicContact CB-CG2 4.1Å; H318-I344 PolarHBondContact ND1-O 3.23Å; I342-I344 PolarHBondContact O-N 3.23Å; I344-R362 PolarHBondContact N-O 3.23Å; I344-F363 HydrophobicContact CB-CD1 4.12Å; I344-F363 HydrophobicContact CB-CE1 3.95Å; I344-F363 HydrophobicContact CB-CZ 4.36Å; I344-F363 HydrophobicContact CD1-CD1 4.42Å; I344-F363 HydrophobicContact CD1-CD2 3.88Å; I344-F363 HydrophobicContact CD1-CE1 4.27Å; I344-F363 HydrophobicContact CD1-CE2 3.71Å; I344-F363 HydrophobicContact CD1-CG 4.24Å; I344-F363 HydrophobicContact CD1-CZ 3.92Å; I344-F363 HydrophobicContact CG2-CD1 4.3Å; I344-F363 HydrophobicContact CG2-CE1 3.63Å; I344-F363 HydrophobicContact CG2-CZ 3.87Å |
| 345 | M | 89.1 | Confident | 63.2 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 21 | -179.8 | -61.2 | -54.4 | -57.3 | 0 | 0 | 113.5 | M326 H328 D329 S343 F363 S367 | M326-M345 HydrophobicContact CB-CE 3.86Å; M326-M345 HydrophobicContact CB-CG 4.03Å; M326-M345 HydrophobicContact CB-SD 4.12Å; M326-M345 WeakPolarHBondContact O-CE 3.43Å; M326-M345 HydrophobicContact SD-CG 4.29Å; M326-M345 HydrophobicContact SD-SD 4.41Å; H328-M345 WeakPolarHBondContact CA-O 3.45Å; D329-M345 PolarHBondContact N-O 2.88Å; D329-M345 VanDerWaalsContact N-O 3.13Å; S343-M345 PolarHBondContact O-N 2.9Å; S343-M345 PolarHBondContact OG-N 3.33Å; M345-F363 HydrophobicContact CG-CD1 4.1Å; M345-F363 HydrophobicContact CG-CE1 4.16Å; M345-F363 HydrophobicContact SD-CE1 4.23Å; M345-S367 WeakPolarHBondContact CB-OG 3.48Å; M345-S367 VanDerWaalsContact CG-OG 3.24Å; M345-S367 WeakPolarHBondContact CG-OG 3.25Å |
| 346 | G | 83.5 | Confident | 62 | Low | 7 Ų | 7 | 59.7 Ų | 59.7 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | trans | -62.2 | 135.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H318 D330 S343 | H318-G346 PolarHBondContact CE1-O 3.3Å; D330-G346 VanDerWaalsContact OD1-CA 3.3Å; D330-G346 WeakPolarHBondContact OD1-CA 3.46Å; S343-G346 PolarHBondContact O-N 2.64Å; S343-G346 PolarHBondContact OG-N 3.33Å | ||
| 347 | G | 65.3 | Low | 61.2 | Low | 11 Ų | 11 | 59.1 Ų | 59.1 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -80.7 | -33.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C151 H328 D330 | C151-G347 PolarHBondContact N-O 2.01Å; H328-G347 WeakPolarHBondContact ND1-CA 3.07Å; D330-G347 PolarHBondContact OD1-N 3.11Å; D330-G347 WeakPolarHBondContact OD2-CA 2.92Å; D330-G347 PolarHBondContact OD2-N 3.3Å |
| 348 | L | 59.8 | Low | 60.9 | Low | 87 Ų | 87 | 61.3 Ų | 61.3 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.7 | 161.5 | -163.5 | 76.2 | 0 | 0 | 0 | 107.1 | T150 D330 S350 | T150-L348 HydrophobicContact CG2-CD1 3.52Å; D330-L348 PolarHBondContact OD2-N 2.99Å; D330-L348 VanDerWaalsContact OD2-N 3.13Å; L348-S350 PolarHBondContact O-N 2.68Å |
| 349 | Y | 52.4 | Low | 61.1 | Low | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 74.6 | 164.6 | -61.3 | -82 | 0 | 0 | 0 | 107.2 | E148 A149 T285 V314 L315 H318 F351 | E148-Y349 VanDerWaalsContact CA-O 3.23Å; E148-Y349 WeakPolarHBondContact CA-O 3.41Å; A149-Y349 HydrophobicContact CB-CD2 3.68Å; A149-Y349 HydrophobicContact CB-CE2 4.47Å; A149-Y349 HydrophobicContact CB-CG 4.25Å; A149-Y349 PolarHBondContact N-O 2.9Å; A149-Y349 WeakPolarHBondContact O-CA 3.23Å; A149-Y349 WeakPolarHBondContact O-CB 3.46Å; A149-Y349 WeakPolarHBondContact O-CD2 3.3Å; A149-Y349 PolarHBondContact O-N 3.32Å; T285-Y349 HydrophobicContact CG2-CE2 4.25Å; V314-Y349 HydrophobicContact CG1-CE1 3.95Å; L315-Y349 HydrophobicContact CD2-CE2 3.83Å; H318-Y349 WeakPolarHBondContact CB-OH 3.46Å; H318-Y349 AromaticContact CG-CZ 3.95Å; H318-Y349 AromaticContact ND1-CZ 3.71Å; H318-Y349 PolarHBondContact ND1-OH 2.88Å; H318-Y349 VanDerWaalsContact ND1-OH 3.17Å; Y349-F351 PolarHBondContact O-N 3.43Å |
| 350 | S | 39.9 | Very low | 61.6 | Low | 51 Ų | 51 | 52.9 Ų | 52.9 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | trans | -69.7 | 95.5 | 165.6 | -158.5 | 0 | 0 | 0 | 0 | 105.7 | E148 L348 A352 | E148-S350 PolarHBondContact OE1-OG 2.79Å; L348-S350 PolarHBondContact O-N 2.68Å; S350-A352 PolarHBondContact O-N 3.1Å; S350-A352 VanDerWaalsContact O-N 3.15Å; S350-A352 WeakPolarHBondContact OG-CB 3.44Å; S350-A352 PolarHBondContact OG-N 3.33Å | ||
| 351 | F | 42.6 | Very low | 62.5 | Low | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | trans | -68.3 | 14.3 | 155.1 | -75.4 | -96 | 0 | 0 | 0 | 110.9 | R145 E147 Y311 Y349 Y361 | R145-F351 HydrophobicContact CB-CE1 4.48Å; R145-F351 WeakPolarHBondContact O-CD1 3.01Å; E147-F351 WeakPolarHBondContact O-CD2 3.48Å; E147-F351 WeakPolarHBondContact O-CE2 3.41Å; E147-F351 WeakPolarHBondContact O-CG 3.47Å; Y311-F351 HydrophobicContact CD2-CZ 4.06Å; Y311-F351 AromaticContact CE2-CE2 3.84Å; Y311-F351 HydrophobicContact CE2-CE2 3.84Å; Y311-F351 AromaticContact CE2-CZ 3.64Å; Y311-F351 HydrophobicContact CE2-CZ 3.64Å; Y349-F351 PolarHBondContact O-N 3.43Å; F351-Y361 WeakPolarHBondContact CE1-OH 3.32Å; F351-Y361 WeakPolarHBondContact CZ-OH 2.99Å | ||
| 352 | A | 36 | Very low | 63 | Low | 45 Ų | 45 | 53.1 Ų | 53.1 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | trans | -46.2 | 143.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | S350 S354 | S350-A352 PolarHBondContact O-N 3.1Å; S350-A352 VanDerWaalsContact O-N 3.15Å; S350-A352 WeakPolarHBondContact OG-CB 3.44Å; S350-A352 PolarHBondContact OG-N 3.33Å; A352-S354 PolarHBondContact O-N 2.78Å | ||
| 353 | P | 36.4 | Very low | 63.5 | Low | 97 Ų | 97 | 51.8 Ų | 51.8 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | trans | -66.5 | 75.7 | 162.3 | 29.9 | -31.5 | 0 | 0 | 0 | 107 | K355 | P353-K355 PolarHBondContact O-N 2.92Å; P353-K355 VanDerWaalsContact O-N 3.1Å | ||
| 354 | S | 44 | Very low | 63.6 | Low | 72 Ų | 72 | 51.3 Ų | 51.3 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | trans | -39.4 | 122.7 | 138.5 | 160.5 | 0 | 0 | 0 | 0 | 104.3 | A352 R356 | A352-S354 PolarHBondContact O-N 2.78Å; S354-R356 CarbonylContact O-C 3.52Å; S354-R356 PolarHBondContact O-N 2.81Å; S354-R356 PolarHBondContact OG-N 3.44Å; S354-R356 PolarHBondContact OG-O 3.25Å | ||
| 355 | K | 42.9 | Very low | 63.5 | Low | 215 Ų | 215 | 56.8 Ų | 56.8 | 94% | 0.935 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -51.2 | -10.7 | 179.6 | -69.5 | 177.8 | 176 | 176.5 | 0 | 112.5 | P353 | P353-K355 PolarHBondContact O-N 2.92Å; P353-K355 VanDerWaalsContact O-N 3.1Å |
| 356 | R | 46.9 | Very low | 63.4 | Low | 160 Ų | 160 | 57 Ų | 57 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -93.9 | 96.7 | 165.7 | -54.9 | 179.7 | -177.9 | 176.1 | 0.8 | 109.1 | S354 R358 | S354-R356 CarbonylContact O-C 3.52Å; S354-R356 PolarHBondContact O-N 2.81Å; S354-R356 PolarHBondContact OG-N 3.44Å; S354-R356 PolarHBondContact OG-O 3.25Å; R356-R358 HydrophobicContact CB-CG 4.44Å; R356-R358 PolarHBondContact O-N 2.75Å |
| 357 | N | 50.2 | Low | 63.8 | Low | 107 Ų | 107 | 56.7 Ų | 56.7 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | trans | -62.1 | 44.7 | 172.3 | -81.8 | -31.6 | 0 | 0 | 0 | 114.1 | ||||
| 358 | R | 59.5 | Low | 65 | Low | 91 Ų | 91 | 60.9 Ų | 60.9 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | trans | -99 | 123.4 | -179.6 | -61.3 | -169.2 | 165.2 | 168.6 | -4.9 | 108.9 | N119 D339 R356 | N119-R358 HydrophobicContact CB-CB 4.46Å; N119-R358 HydrophobicContact CB-CG 3.97Å; N119-R358 PolarHBondContact ND2-NE 2.76Å; N119-R358 PolarHBondContact ND2-NH2 3.16Å; D339-R358 PolarHBondContact O-NH1 3.13Å; R356-R358 HydrophobicContact CB-CG 4.44Å; R356-R358 PolarHBondContact O-N 2.75Å | ||
| 359 | K | 67.7 | Low | 66.4 | Low | 24 Ų | 24 | 62.6 Ų | 62.6 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | trans | -123.8 | 49.1 | -177 | -61 | -165.6 | 178.7 | -169.2 | 0 | 111.5 | T121 M143 K144 R145 D146 I342 | T121-K359 PolarHBondContact OG1-O 3.39Å; M143-K359 HydrophobicContact CE-CB 3.98Å; M143-K359 HydrophobicContact CE-CD 4.48Å; K144-K359 PolarHBondContact O-NZ 2.84Å; R145-K359 PolarHBondContact O-NZ 2.9Å; D146-K359 IonicContact OD1-NZ 3.11Å; D146-K359 PolarHBondContact OD1-NZ 3.08Å; I342-K359 HydrophobicContact CD1-CG 4.47Å | ||
| 360 | I | 77.4 | Confident | 68.2 | Low | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | trans | -96.1 | 132.3 | 170.3 | -60.5 | -168 | 0 | 0 | 0 | 107.9 | I116 N119 F341 I342 R362 | I116-I360 HydrophobicContact CG2-CB 4.39Å; I116-I360 HydrophobicContact CG2-CD1 3.76Å; I116-I360 HydrophobicContact CG2-CG1 3.76Å; I116-I360 HydrophobicContact CG2-CG2 4.02Å; N119-I360 VanDerWaalsContact CA-CD1 3.49Å; F341-I360 HydrophobicContact CB-CB 4.25Å; F341-I360 HydrophobicContact CB-CG2 4.36Å; I342-I360 PolarHBondContact N-O 3.27Å; I360-R362 HydrophobicContact CG2-CG 3.97Å | ||
| 361 | Y | 84.7 | Confident | 70.7 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125 | 177.8 | -65.4 | -93.3 | 0 | 0 | 0 | 110 | M143 F310 V314 I342 F351 | M143-Y361 HydrophobicContact CE-CE2 3.77Å; F310-Y361 AromaticContact CE1-CD2 3.84Å; F310-Y361 HydrophobicContact CE1-CD2 3.84Å; F310-Y361 AromaticContact CE1-CE2 3.92Å; F310-Y361 HydrophobicContact CE1-CE2 3.92Å; F310-Y361 AromaticContact CZ-CD2 3.99Å; F310-Y361 HydrophobicContact CZ-CD2 3.99Å; F310-Y361 HydrophobicContact CZ-CE2 4.49Å; V314-Y361 HydrophobicContact CG1-CD1 3.78Å; V314-Y361 HydrophobicContact CG1-CE1 3.94Å; V314-Y361 HydrophobicContact CG1-CG 4.38Å; V314-Y361 HydrophobicContact CG2-CD1 4.2Å; V314-Y361 HydrophobicContact CG2-CD2 4.13Å; V314-Y361 HydrophobicContact CG2-CE1 4.47Å; V314-Y361 HydrophobicContact CG2-CE2 4.42Å; V314-Y361 HydrophobicContact CG2-CG 4.02Å; I342-Y361 HydrophobicContact CB-CD1 4.1Å; I342-Y361 HydrophobicContact CB-CE1 4.09Å; I342-Y361 HydrophobicContact CD1-CE1 4.21Å; I342-Y361 HydrophobicContact CG2-CD1 3.94Å; I342-Y361 HydrophobicContact CG2-CE1 3.71Å; I342-Y361 WeakPolarHBondContact O-CA 3.09Å; F351-Y361 WeakPolarHBondContact CE1-OH 3.32Å; F351-Y361 WeakPolarHBondContact CZ-OH 2.99Å |
| 362 | R | 87.9 | Confident | 72.8 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.2 | 178.2 | -67.7 | -176.6 | 176.4 | 170.8 | -4.5 | 111.4 | F341 I342 S343 I344 I360 | F341-R362 HydrophobicContact CD1-CB 4.29Å; F341-R362 HydrophobicContact CD1-CG 4.41Å; F341-R362 HydrophobicContact CD2-CB 3.79Å; F341-R362 HydrophobicContact CE1-CB 4.16Å; F341-R362 HydrophobicContact CE2-CB 3.76Å; F341-R362 HydrophobicContact CG-CB 4.08Å; F341-R362 HydrophobicContact CG-CG 4.34Å; F341-R362 HydrophobicContact CZ-CB 3.95Å; I342-R362 PolarHBondContact O-N 2.88Å; I342-R362 VanDerWaalsContact O-N 3.13Å; S343-R362 WeakPolarHBondContact CA-O 3.23Å; I344-R362 PolarHBondContact N-O 3.23Å; I360-R362 HydrophobicContact CG2-CG 3.97Å |
| 363 | F | 90.5 | Very high | 75.1 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | trans | -78.4 | 136.1 | 163.5 | -68 | -72.4 | 0 | 0 | 0 | 108.7 | M221 F222 L225 A317 M326 I344 M345 | M221-F363 HydrophobicContact CB-CE2 4.47Å; F222-F363 AromaticContact CD1-CE2 3.76Å; F222-F363 HydrophobicContact CD1-CE2 3.76Å; F222-F363 AromaticContact CD1-CZ 3.97Å; F222-F363 HydrophobicContact CD1-CZ 3.97Å; F222-F363 HydrophobicContact CE1-CE1 4.32Å; F222-F363 AromaticContact CE1-CE2 3.74Å; F222-F363 HydrophobicContact CE1-CE2 3.74Å; F222-F363 AromaticContact CE1-CZ 3.43Å; F222-F363 HydrophobicContact CE1-CZ 3.43Å; F222-F363 VanDerWaalsContact CE1-CZ 3.43Å; F222-F363 HydrophobicContact CE2-CZ 4.29Å; F222-F363 HydrophobicContact CG-CE2 4.21Å; F222-F363 HydrophobicContact CZ-CE2 4.18Å; F222-F363 AromaticContact CZ-CZ 3.61Å; F222-F363 HydrophobicContact CZ-CZ 3.61Å; L225-F363 HydrophobicContact CD1-CB 4.19Å; L225-F363 HydrophobicContact CD1-CD1 4.29Å; L225-F363 HydrophobicContact CD1-CD2 3.77Å; L225-F363 HydrophobicContact CD1-CE2 4.2Å; L225-F363 HydrophobicContact CD1-CG 3.82Å; L225-F363 HydrophobicContact CD2-CB 4.34Å; L225-F363 HydrophobicContact CG-CB 4.35Å; L225-F363 HydrophobicContact CG-CD2 4.14Å; L225-F363 HydrophobicContact CG-CG 4.35Å; A317-F363 HydrophobicContact CB-CZ 4.48Å; M326-F363 HydrophobicContact CE-CE1 4.39Å; M326-F363 HydrophobicContact SD-CD1 3.67Å; M326-F363 HydrophobicContact SD-CE1 3.6Å; M326-F363 VanDerWaalsContact SD-CE1 3.6Å; I344-F363 HydrophobicContact CB-CD1 4.12Å; I344-F363 HydrophobicContact CB-CE1 3.95Å; I344-F363 HydrophobicContact CB-CZ 4.36Å; I344-F363 HydrophobicContact CD1-CD1 4.42Å; I344-F363 HydrophobicContact CD1-CD2 3.88Å; I344-F363 HydrophobicContact CD1-CE1 4.27Å; I344-F363 HydrophobicContact CD1-CE2 3.71Å; I344-F363 HydrophobicContact CD1-CG 4.24Å; I344-F363 HydrophobicContact CD1-CZ 3.92Å; I344-F363 HydrophobicContact CG2-CD1 4.3Å; I344-F363 HydrophobicContact CG2-CE1 3.63Å; I344-F363 HydrophobicContact CG2-CZ 3.87Å; M345-F363 HydrophobicContact CG-CD1 4.1Å; M345-F363 HydrophobicContact CG-CE1 4.16Å; M345-F363 HydrophobicContact SD-CE1 4.23Å | ||
| 364 | T | 88.7 | Confident | 77.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | trans | -80.7 | 169.3 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 111 | D329 F341 C366 S367 R368 | D329-T364 PolarHBondContact OD1-OG1 3.02Å; D329-T364 VanDerWaalsContact OD1-OG1 3.09Å; D329-T364 WeakPolarHBondContact OD2-CB 3.43Å; D329-T364 WeakPolarHBondContact OD2-CG2 3.23Å; D329-T364 PolarHBondContact OD2-OG1 3.09Å; F341-T364 HydrophobicContact CE2-CG2 3.81Å; F341-T364 HydrophobicContact CZ-CG2 4.19Å; T364-C366 PolarHBondContact O-N 3.02Å; T364-C366 PolarHBondContact OG1-N 2.74Å; T364-S367 WeakPolarHBondContact O-CB 3.33Å; T364-S367 PolarHBondContact O-N 3.12Å; T364-S367 PolarHBondContact OG1-N 3.19Å; T364-S367 VanDerWaalsContact OG1-N 3.17Å; T364-S367 PolarHBondContact OG1-OG 3.42Å; T364-R368 PolarHBondContact O-N 2.94Å | ||
| 365 | D | 87.1 | Confident | 79.3 | Confident | 115 Ų | 115 | 53 Ų | 53 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.3 | -23.9 | 170 | -78.8 | -24.8 | 0 | 0 | 0 | 112.8 | R369 | D365-R369 VanDerWaalsContact O-CB 3.3Å; D365-R369 WeakPolarHBondContact O-CB 3.25Å; D365-R369 PolarHBondContact O-N 3.46Å |
| 366 | C | 88.6 | Confident | 80.9 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.5 | -49.2 | 174.4 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | D329 C335 T364 R368 R369 D370 | D329-C366 WeakPolarHBondContact OD1-CB 3.43Å; C335-C366 VanDerWaalsContact CA-SG 3.54Å; C335-C366 HydrophobicContact CB-CB 3.79Å; C335-C366 WeakPolarHBondContact CB-SG 3.14Å; C335-C366 WeakPolarHBondContact SG-CB 3.41Å; C335-C366 CovalentContact SG-SG 2.01Å; C335-C366 PolarHBondContact SG-SG 2.98Å; T364-C366 PolarHBondContact O-N 3.02Å; T364-C366 PolarHBondContact OG1-N 2.74Å; C366-R368 VanDerWaalsContact C-N 3.27Å; C366-R368 PolarHBondContact O-N 3Å; C366-R369 PolarHBondContact O-N 3.32Å; C366-R369 VanDerWaalsContact O-N 3.11Å; C366-D370 PolarHBondContact O-N 2.99Å |
| 367 | S | 90.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.5 | -45 | 171.2 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | D329 M345 T364 R369 D370 F371 | D329-S367 PolarHBondContact OD1-OG 3.46Å; D329-S367 PolarHBondContact OD2-OG 2.01Å; M345-S367 WeakPolarHBondContact CB-OG 3.48Å; M345-S367 VanDerWaalsContact CG-OG 3.24Å; M345-S367 WeakPolarHBondContact CG-OG 3.25Å; T364-S367 WeakPolarHBondContact O-CB 3.33Å; T364-S367 PolarHBondContact O-N 3.12Å; T364-S367 PolarHBondContact OG1-N 3.19Å; T364-S367 VanDerWaalsContact OG1-N 3.17Å; T364-S367 PolarHBondContact OG1-OG 3.42Å; S367-R369 PolarHBondContact O-N 3.36Å; S367-D370 PolarHBondContact O-N 2.87Å; S367-F371 PolarHBondContact O-N 3.41Å |
| 368 | R | 91.3 | Very high | 83.2 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.4 | -178.1 | 176.1 | 177.6 | 167.3 | 2.3 | 112.2 | L225 T364 C366 F371 L372 | L225-R368 HydrophobicContact CD2-CB 3.67Å; L225-R368 HydrophobicContact CD2-CG 3.81Å; T364-R368 PolarHBondContact O-N 2.94Å; C366-R368 VanDerWaalsContact C-N 3.27Å; C366-R368 PolarHBondContact O-N 3Å; R368-F371 PolarHBondContact O-N 3.38Å; R368-L372 HydrophobicContact CG-CD1 4.03Å; R368-L372 HydrophobicContact CG-CG 4.48Å; R368-L372 VanDerWaalsContact O-CG 3.28Å; R368-L372 WeakPolarHBondContact O-CG 3.45Å; R368-L372 PolarHBondContact O-N 3.05Å |
| 369 | R | 88.8 | Confident | 84 | Confident | 123 Ų | 123 | 35.1 Ų | 35.1 | 46% | 0.464 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | -179.5 | -170.6 | -176.7 | -57.3 | 102.6 | 1.6 | 112.3 | D365 C366 S367 L372 A373 | D365-R369 VanDerWaalsContact O-CB 3.3Å; D365-R369 WeakPolarHBondContact O-CB 3.25Å; D365-R369 PolarHBondContact O-N 3.46Å; C366-R369 PolarHBondContact O-N 3.32Å; C366-R369 VanDerWaalsContact O-N 3.11Å; S367-R369 PolarHBondContact O-N 3.36Å; R369-L372 PolarHBondContact O-N 2.95Å; R369-A373 WeakPolarHBondContact O-CB 3.13Å; R369-A373 PolarHBondContact O-N 3.37Å |
| 370 | D | 90.7 | Very high | 84.8 | Confident | 19 Ų | 19 | 34 Ų | 34 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | -86.5 | -7.7 | 0 | 0 | 0 | 111.3 | R166 S327 C366 S367 A373 L374 | R166-D370 IonicContact NH1-OD1 2.68Å; S327-D370 WeakPolarHBondContact CB-OD2 3.28Å; S327-D370 PolarHBondContact N-OD2 3.05Å; S327-D370 PolarHBondContact OG-OD2 3.2Å; C366-D370 PolarHBondContact O-N 2.99Å; S367-D370 PolarHBondContact O-N 2.87Å; D370-A373 WeakPolarHBondContact O-CB 3.39Å; D370-A373 PolarHBondContact O-N 3.34Å; D370-L374 PolarHBondContact O-N 2.99Å |
| 371 | F | 92.5 | Very high | 85 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 174.7 | 173.8 | -122.3 | 0 | 0 | 0 | 112.6 | K184 I227 L324 M326 S367 R368 A373 L374 L375 L383 | K184-F371 HydrophobicContact CD-CE1 3.85Å; K184-F371 HydrophobicContact CD-CZ 3.56Å; I227-F371 HydrophobicContact CD1-CD1 4.25Å; I227-F371 HydrophobicContact CD1-CE1 3.51Å; I227-F371 HydrophobicContact CD1-CE2 4.06Å; I227-F371 HydrophobicContact CD1-CZ 3.37Å; I227-F371 HydrophobicContact CG1-CE1 4.01Å; I227-F371 HydrophobicContact CG1-CZ 3.97Å; L324-F371 HydrophobicContact CB-CD2 3.97Å; L324-F371 HydrophobicContact CB-CE2 4.27Å; L324-F371 HydrophobicContact CD1-CE2 4.47Å; L324-F371 HydrophobicContact CD2-CE2 4.01Å; L324-F371 HydrophobicContact CG-CE2 4.49Å; M326-F371 HydrophobicContact CE-CB 3.79Å; M326-F371 HydrophobicContact CE-CD2 4.43Å; M326-F371 HydrophobicContact CE-CG 4.09Å; M326-F371 HydrophobicContact CG-CB 4.3Å; S367-F371 PolarHBondContact O-N 3.41Å; R368-F371 PolarHBondContact O-N 3.38Å; F371-A373 VanDerWaalsContact C-N 3.27Å; F371-A373 PolarHBondContact O-N 3.48Å; F371-L374 WeakPolarHBondContact O-CB 3.22Å; F371-L374 PolarHBondContact O-N 3.01Å; F371-L374 VanDerWaalsContact O-N 3.12Å; F371-L375 HydrophobicContact CD1-CD1 4.18Å; F371-L375 HydrophobicContact CD2-CD1 4.48Å; F371-L375 HydrophobicContact CD2-CG 4.41Å; F371-L375 HydrophobicContact CE1-CD1 3.61Å; F371-L375 HydrophobicContact CE1-CG 4.49Å; F371-L375 HydrophobicContact CE2-CD1 3.95Å; F371-L375 HydrophobicContact CE2-CD2 4.2Å; F371-L375 HydrophobicContact CE2-CG 3.99Å; F371-L375 HydrophobicContact CZ-CD1 3.52Å; F371-L375 HydrophobicContact CZ-CD2 4.32Å; F371-L375 HydrophobicContact CZ-CG 4.07Å; F371-L375 PolarHBondContact O-N 2.82Å; F371-L383 HydrophobicContact CE2-CD1 4.12Å; F371-L383 HydrophobicContact CZ-CD1 4.35Å |
| 372 | L | 86.8 | Confident | 85 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | 176.2 | -68.9 | 173.9 | 0 | 0 | 0 | 112.2 | E180 R368 R369 L375 N376 | E180-L372 HydrophobicContact CG-CD1 3.91Å; E180-L372 HydrophobicContact CG-CD2 3.61Å; E180-L372 HydrophobicContact CG-CG 4.43Å; E180-L372 WeakPolarHBondContact OE1-CD1 3.41Å; R368-L372 HydrophobicContact CG-CD1 4.03Å; R368-L372 HydrophobicContact CG-CG 4.48Å; R368-L372 VanDerWaalsContact O-CG 3.28Å; R368-L372 WeakPolarHBondContact O-CG 3.45Å; R368-L372 PolarHBondContact O-N 3.05Å; R369-L372 PolarHBondContact O-N 2.95Å; L372-L375 HydrophobicContact CD2-CD1 4.4Å; L372-L375 PolarHBondContact O-N 3.48Å; L372-N376 VanDerWaalsContact O-CB 3.26Å; L372-N376 WeakPolarHBondContact O-CB 3.38Å; L372-N376 VanDerWaalsContact O-CG 3.26Å; L372-N376 PolarHBondContact O-N 2.88Å; L372-N376 PolarHBondContact O-ND2 2.73Å |
| 373 | A | 84.4 | Confident | 85.1 | Confident | 34 Ų | 34 | 36.4 Ų | 36.4 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R369 D370 F371 S377 | R369-A373 WeakPolarHBondContact O-CB 3.13Å; R369-A373 PolarHBondContact O-N 3.37Å; D370-A373 WeakPolarHBondContact O-CB 3.39Å; D370-A373 PolarHBondContact O-N 3.34Å; F371-A373 VanDerWaalsContact C-N 3.27Å; F371-A373 PolarHBondContact O-N 3.48Å; A373-S377 PolarHBondContact O-N 3.04Å; A373-S377 VanDerWaalsContact O-N 3.13Å |
| 374 | L | 86.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 172.1 | -179 | 145.1 | 0 | 0 | 0 | 110.7 | D290 V292 D370 F371 N376 S377 Q379 | D290-L374 HydrophobicContact CB-CD1 4.28Å; V292-L374 HydrophobicContact CG1-CD1 4.17Å; V292-L374 HydrophobicContact CG1-CD2 3.75Å; D370-L374 PolarHBondContact O-N 2.99Å; F371-L374 WeakPolarHBondContact O-CB 3.22Å; F371-L374 PolarHBondContact O-N 3.01Å; F371-L374 VanDerWaalsContact O-N 3.12Å; L374-N376 PolarHBondContact O-N 3.28Å; L374-S377 WeakPolarHBondContact O-CB 3.39Å; L374-S377 PolarHBondContact O-N 2.71Å; L374-S377 VanDerWaalsContact O-N 3.17Å; L374-S377 PolarHBondContact O-OG 3.13Å; L374-Q379 HydrophobicContact CD2-CB 3.75Å; L374-Q379 HydrophobicContact CG-CB 3.92Å |
| 375 | L | 82 | Confident | 84.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 179.2 | -66.3 | 174.9 | 0 | 0 | 0 | 112.6 | V179 K184 F371 L372 S377 G378 L383 F384 | V179-L375 HydrophobicContact CG1-CB 3.73Å; V179-L375 HydrophobicContact CG1-CD1 3.49Å; V179-L375 VanDerWaalsContact CG1-CD1 3.49Å; V179-L375 HydrophobicContact CG1-CG 4.21Å; K184-L375 HydrophobicContact CD-CD1 3.81Å; K184-L375 VanDerWaalsContact CE-CD1 3.41Å; F371-L375 HydrophobicContact CD1-CD1 4.18Å; F371-L375 HydrophobicContact CD2-CD1 4.48Å; F371-L375 HydrophobicContact CD2-CG 4.41Å; F371-L375 HydrophobicContact CE1-CD1 3.61Å; F371-L375 HydrophobicContact CE1-CG 4.49Å; F371-L375 HydrophobicContact CE2-CD1 3.95Å; F371-L375 HydrophobicContact CE2-CD2 4.2Å; F371-L375 HydrophobicContact CE2-CG 3.99Å; F371-L375 HydrophobicContact CZ-CD1 3.52Å; F371-L375 HydrophobicContact CZ-CD2 4.32Å; F371-L375 HydrophobicContact CZ-CG 4.07Å; F371-L375 PolarHBondContact O-N 2.82Å; L372-L375 HydrophobicContact CD2-CD1 4.4Å; L372-L375 PolarHBondContact O-N 3.48Å; L375-S377 PolarHBondContact O-N 2.6Å; L375-G378 PolarHBondContact O-N 3.37Å; L375-L383 HydrophobicContact CD2-CD1 4.28Å; L375-F384 HydrophobicContact CD2-CE2 4.44Å |
| 376 | N | 76 | Confident | 84 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.9 | -22 | 179.5 | -78.6 | -45.7 | 0 | 0 | 0 | 113.6 | R177 L372 L374 G378 | R177-N376 WeakPolarHBondContact CD-OD1 3.37Å; R177-N376 PolarHBondContact NH1-O 2.92Å; R177-N376 PolarHBondContact NH1-OD1 3.17Å; L372-N376 VanDerWaalsContact O-CB 3.26Å; L372-N376 WeakPolarHBondContact O-CB 3.38Å; L372-N376 VanDerWaalsContact O-CG 3.26Å; L372-N376 PolarHBondContact O-N 2.88Å; L372-N376 PolarHBondContact O-ND2 2.73Å; L374-N376 PolarHBondContact O-N 3.28Å; N376-G378 PolarHBondContact O-N 2.95Å |
| 377 | S | 75 | Confident | 83.7 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 47% | 0.469 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -3.5 | 172.2 | 77.1 | 0 | 0 | 0 | 0 | 113.8 | A373 L374 L375 Q379 | A373-S377 PolarHBondContact O-N 3.04Å; A373-S377 VanDerWaalsContact O-N 3.13Å; L374-S377 WeakPolarHBondContact O-CB 3.39Å; L374-S377 PolarHBondContact O-N 2.71Å; L374-S377 VanDerWaalsContact O-N 3.17Å; L374-S377 PolarHBondContact O-OG 3.13Å; L375-S377 PolarHBondContact O-N 2.6Å; S377-Q379 PolarHBondContact OG-NE2 3.17Å |
| 378 | G | 70.2 | Confident | 83 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 4.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L375 N376 R381 | L375-G378 PolarHBondContact O-N 3.37Å; N376-G378 PolarHBondContact O-N 2.95Å; G378-R381 WeakPolarHBondContact O-CG 3.42Å; G378-R381 PolarHBondContact O-NE 3.22Å |
| 379 | Q | 77.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | trans | -82.2 | 167.1 | 169.6 | -64.6 | 178.8 | 90.9 | 0 | 0 | 110.6 | D290 L374 S377 | D290-Q379 PolarHBondContact O-OE1 3.23Å; L374-Q379 HydrophobicContact CD2-CB 3.75Å; L374-Q379 HydrophobicContact CG-CB 3.92Å; S377-Q379 PolarHBondContact OG-NE2 3.17Å | ||
| 380 | G | 84.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | 77.4 | 17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C293 C382 L383 | C293-G380 VanDerWaalsContact SG-C 3.52Å; C293-G380 WeakPolarHBondContact SG-CA 3.43Å; G380-C382 VanDerWaalsContact C-N 3.29Å; G380-C382 PolarHBondContact O-N 2.9Å; G380-L383 VanDerWaalsContact O-CB 3.25Å; G380-L383 WeakPolarHBondContact O-CB 3.46Å; G380-L383 WeakPolarHBondContact O-CG 3.43Å; G380-L383 PolarHBondContact O-N 3.43Å | ||
| 381 | R | 80.8 | Confident | 78.2 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -62.1 | -34.3 | -178.6 | -63.4 | -175.5 | -169.8 | -163.9 | 0.1 | 113.5 | G378 L383 F384 C396 | G378-R381 WeakPolarHBondContact O-CG 3.42Å; G378-R381 PolarHBondContact O-NE 3.22Å; R381-L383 PolarHBondContact O-N 3.1Å; R381-L383 VanDerWaalsContact O-N 3.1Å; R381-F384 PolarHBondContact O-N 3Å; R381-C396 PolarHBondContact NH1-O 3.24Å |
| 382 | C | 85 | Confident | 76.1 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61.1 | -14.4 | 174.4 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | D270 C293 G380 F384 N385 | D270-C382 VanDerWaalsContact OD1-CB 3.23Å; D270-C382 WeakPolarHBondContact OD1-CB 3.37Å; D270-C382 PolarHBondContact OD1-SG 2.82Å; C293-C382 WeakPolarHBondContact CA-SG 3.35Å; C293-C382 HydrophobicContact CB-CB 3.74Å; C293-C382 WeakPolarHBondContact CB-SG 3.28Å; C293-C382 WeakPolarHBondContact SG-CB 3.3Å; C293-C382 PolarHBondContact SG-N 3.36Å; C293-C382 CovalentContact SG-SG 2.01Å; C293-C382 PolarHBondContact SG-SG 3.06Å; G380-C382 VanDerWaalsContact C-N 3.29Å; G380-C382 PolarHBondContact O-N 2.9Å; C382-F384 PolarHBondContact O-N 2.91Å; C382-N385 PolarHBondContact O-OD1 3.06Å |
| 383 | L | 91 | Very high | 74.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -81 | -2.2 | -177.4 | -54.6 | 177 | 0 | 0 | 0 | 113.2 | K184 F185 V186 D270 V292 L324 F371 L375 G380 R381 | K184-L383 CarbonylContact C-O 3.59Å; K184-L383 WeakPolarHBondContact CA-O 3.48Å; K184-L383 HydrophobicContact CB-CB 4.08Å; K184-L383 HydrophobicContact CG-CB 4.34Å; F185-L383 PolarHBondContact N-O 3.03Å; F185-L383 VanDerWaalsContact O-CA 3.25Å; F185-L383 WeakPolarHBondContact O-CA 3.04Å; F185-L383 WeakPolarHBondContact O-CD2 3.46Å; V186-L383 HydrophobicContact CG2-CD2 3.8Å; D270-L383 HydrophobicContact CB-CD2 4.07Å; V292-L383 HydrophobicContact CG2-CD1 4.15Å; V292-L383 HydrophobicContact CG2-CD2 3.78Å; V292-L383 HydrophobicContact CG2-CG 4.17Å; L324-L383 HydrophobicContact CD2-CD1 3.86Å; F371-L383 HydrophobicContact CE2-CD1 4.12Å; F371-L383 HydrophobicContact CZ-CD1 4.35Å; L375-L383 HydrophobicContact CD2-CD1 4.28Å; G380-L383 VanDerWaalsContact O-CB 3.25Å; G380-L383 WeakPolarHBondContact O-CB 3.46Å; G380-L383 WeakPolarHBondContact O-CG 3.43Å; G380-L383 PolarHBondContact O-N 3.43Å; R381-L383 PolarHBondContact O-N 3.1Å; R381-L383 VanDerWaalsContact O-N 3.1Å |
| 384 | F | 84.5 | Confident | 72.9 | Confident | 43 Ų | 43 | 57 Ų | 57 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -103.6 | -2.7 | -175 | -66.5 | -85.2 | 0 | 0 | 0 | 114.1 | V179 E182 K184 L375 R381 C382 V425 T426 | V179-F384 HydrophobicContact CG1-CZ 4.19Å; V179-F384 HydrophobicContact CG2-CZ 4.37Å; E182-F384 HydrophobicContact CB-CD1 4.49Å; E182-F384 HydrophobicContact CB-CE1 4.23Å; E182-F384 HydrophobicContact CG-CD1 3.91Å; E182-F384 HydrophobicContact CG-CE1 4.15Å; K184-F384 HydrophobicContact CG-CE1 4.32Å; L375-F384 HydrophobicContact CD2-CE2 4.44Å; R381-F384 PolarHBondContact O-N 3Å; C382-F384 PolarHBondContact O-N 2.91Å; F384-V425 HydrophobicContact CE2-CG1 3.65Å; F384-V425 HydrophobicContact CZ-CG1 3.85Å; F384-T426 HydrophobicContact CD1-CG2 4.2Å; F384-T426 HydrophobicContact CE1-CG2 3.78Å; F384-T426 HydrophobicContact CZ-CG2 4.16Å |
| 385 | N | 78.7 | Confident | 72 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.193 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -93.1 | 156.8 | 168.9 | 57.9 | -82.7 | 0 | 0 | 0 | 111.1 | F185 C382 | F185-N385 WeakPolarHBondContact CB-O 3.29Å; F185-N385 WeakPolarHBondContact CD2-O 3.49Å; C382-N385 PolarHBondContact O-OD1 3.06Å |
| 386 | Q | 79.6 | Confident | 71.4 | Confident | 122 Ų | 122 | 64.9 Ų | 64.9 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -70 | 155 | 168.3 | -68 | -174.2 | -9.8 | 0 | 0 | 110.2 | F185 L388 Q389 | F185-Q386 HydrophobicContact CE2-CG 4.32Å; F185-Q386 HydrophobicContact CZ-CG 4.45Å; Q386-L388 PolarHBondContact O-N 3.44Å; Q386-Q389 HydrophobicContact CB-CB 4.27Å; Q386-Q389 VanDerWaalsContact N-OE1 3.1Å; Q386-Q389 WeakPolarHBondContact O-CB 3.26Å; Q386-Q389 PolarHBondContact O-N 2.02Å; Q386-Q389 VanDerWaalsContact O-N 3.13Å |
| 387 | P | 82.4 | Confident | 71.4 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 16% | 0.156 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 132.2 | -179.7 | -20.2 | 29.9 | 0 | 0 | 0 | 112.1 | V61 P64 F185 E187 S230 V232 Q389 | V61-P387 HydrophobicContact CG1-CG 4.32Å; P64-P387 HydrophobicContact CB-CB 4.24Å; P64-P387 HydrophobicContact CG-CB 3.51Å; P64-P387 HydrophobicContact CG-CG 4.25Å; F185-P387 HydrophobicContact CB-CG 4.39Å; F185-P387 HydrophobicContact CD1-CG 4.16Å; E187-P387 HydrophobicContact CG-CB 4.38Å; E187-P387 WeakPolarHBondContact OE1-CA 3.45Å; S230-P387 WeakPolarHBondContact OG-CG 3.45Å; V232-P387 HydrophobicContact CG1-CB 4.23Å; P387-Q389 PolarHBondContact O-N 3.15Å |
| 388 | L | 76.7 | Confident | 71.7 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 20.9 | -177.7 | -55 | 178.2 | 0 | 0 | 0 | 114.2 | P64 A67 E187 V232 Q386 D390 | P64-L388 HydrophobicContact CB-CD1 3.78Å; P64-L388 HydrophobicContact CB-CG 4.24Å; A67-L388 VanDerWaalsContact N-CD1 3.32Å; E187-L388 PolarHBondContact OE1-N 2.72Å; V232-L388 HydrophobicContact CB-CD2 3.96Å; V232-L388 HydrophobicContact CB-CG 4.32Å; V232-L388 HydrophobicContact CG1-CD2 3.94Å; V232-L388 HydrophobicContact CG1-CG 3.93Å; Q386-L388 PolarHBondContact O-N 3.44Å; L388-D390 PolarHBondContact O-N 3.35Å |
| 389 | Q | 65.9 | Low | 72.3 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | trans | -70.9 | 113.9 | 168.5 | -171.7 | 174.8 | 2.6 | 0 | 0 | 108.1 | Q386 P387 N391 | Q386-Q389 HydrophobicContact CB-CB 4.27Å; Q386-Q389 VanDerWaalsContact N-OE1 3.1Å; Q386-Q389 WeakPolarHBondContact O-CB 3.26Å; Q386-Q389 PolarHBondContact O-N 2.02Å; Q386-Q389 VanDerWaalsContact O-N 3.13Å; P387-Q389 PolarHBondContact O-N 3.15Å; Q389-N391 PolarHBondContact O-N 3.25Å | ||
| 390 | D | 54 | Low | 72.6 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 80% | 0.797 | 36% | 0.355 | S | S | * | . | trans | -65.4 | 77.8 | 178.3 | -81.1 | -31.6 | 0 | 0 | 0 | 111.1 | L388 | L388-D390 PolarHBondContact O-N 3.35Š| ||
| 391 | N | 49 | Very low | 72.4 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | trans | -105.6 | 46.8 | 170 | -89.7 | 15.2 | 0 | 0 | 0 | 110.1 | Q389 L393 A394 | Q389-N391 PolarHBondContact O-N 3.25Å; N391-L393 PolarHBondContact O-N 3.39Å; N391-A394 HydrophobicContact CB-CB 3.92Å; N391-A394 WeakPolarHBondContact ND2-CB 3.44Å; N391-A394 PolarHBondContact O-N 3.35Å | ||
| 392 | V | 48.3 | Very low | 72.2 | Confident | 119 Ų | 119 | 68.7 Ų | 68.7 | 72% | 0.721 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -56.4 | -23.9 | 177.4 | -177 | 0 | 0 | 0 | 0 | 111.5 | ||
| 393 | L | 46.5 | Very low | 71.5 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -106.3 | -24.6 | -179.8 | -68.9 | 164.2 | 0 | 0 | 0 | 114.7 | N391 K395 | N391-L393 PolarHBondContact O-N 3.39Å; L393-K395 PolarHBondContact O-N 2.99Å; L393-K395 VanDerWaalsContact O-N 3.1Å |
| 394 | A | 56.9 | Low | 70.4 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 17% | 0.174 | 44% | 0.437 | C | S | . | . | trans | -80.7 | 95.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | N391 D402 | N391-A394 HydrophobicContact CB-CB 3.92Å; N391-A394 WeakPolarHBondContact ND2-CB 3.44Å; N391-A394 PolarHBondContact O-N 3.35Å; A394-D402 VanDerWaalsContact CA-CB 3.49Å; A394-D402 WeakPolarHBondContact CA-OD2 3.33Å; A394-D402 HydrophobicContact CB-CB 3.5Å; A394-D402 VanDerWaalsContact CB-CB 3.5Å | ||
| 395 | K | 67.1 | Low | 70.1 | Confident | 146 Ų | 146 | 79.4 Ų | 79.4 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | trans | -115 | 84.6 | 179.3 | -78.7 | -174.8 | -178.6 | 174.9 | 0 | 109.8 | L393 G397 N398 D402 | L393-K395 PolarHBondContact O-N 2.99Å; L393-K395 VanDerWaalsContact O-N 3.1Å; K395-G397 PolarHBondContact O-N 3.1Å; K395-G397 VanDerWaalsContact O-N 3.15Å; K395-N398 HydrophobicContact CB-CB 4.35Å; K395-N398 VanDerWaalsContact O-CB 3.26Å; K395-N398 WeakPolarHBondContact O-CB 3.42Å; K395-N398 PolarHBondContact O-N 3.1Å; K395-N398 PolarHBondContact O-ND2 3.15Å; K395-N398 PolarHBondContact O-OD1 3.04Å; K395-D402 PolarHBondContact N-OD2 3.31Å; K395-D402 VanDerWaalsContact N-OD2 3.1Å | ||
| 396 | C | 70.7 | Confident | 70.3 | Confident | 21 Ų | 21 | 81.9 Ų | 81.9 | 14% | 0.142 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 122.5 | 170.2 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | R381 E405 C427 | R381-C396 PolarHBondContact NH1-O 3.24Å; C396-E405 WeakPolarHBondContact CA-OE1 3.15Å; C396-E405 WeakPolarHBondContact CB-OE1 3.26Å; C396-E405 PolarHBondContact N-OE1 3.21Å; C396-C427 WeakPolarHBondContact CA-SG 3.25Å; C396-C427 HydrophobicContact CB-CB 3.73Å; C396-C427 WeakPolarHBondContact CB-SG 2.99Å; C396-C427 WeakPolarHBondContact SG-CB 2.95Å; C396-C427 PolarHBondContact SG-N 2.77Å; C396-C427 CovalentContact SG-SG 2.02Å; C396-C427 PolarHBondContact SG-SG 2.89Å |
| 397 | G | 76 | Confident | 70.6 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | 12.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K395 D408 G410 | K395-G397 PolarHBondContact O-N 3.1Å; K395-G397 VanDerWaalsContact O-N 3.15Å; G397-D408 WeakPolarHBondContact CA-OD1 3.37Å; G397-D408 WeakPolarHBondContact CA-OD2 3.19Å; G397-D408 VanDerWaalsContact N-CG 3.27Å; G397-D408 PolarHBondContact N-OD1 2.76Å; G397-D408 PolarHBondContact N-OD2 3.26Å; G397-G410 WeakPolarHBondContact CA-O 3.46Å; G397-G410 WeakPolarHBondContact O-CA 3.33Å |
| 398 | N | 81.5 | Confident | 70.8 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -93.3 | -1.3 | 174.9 | 71.2 | 8 | 0 | 0 | 0 | 113 | K395 V400 D402 D408 | K395-N398 HydrophobicContact CB-CB 4.35Å; K395-N398 VanDerWaalsContact O-CB 3.26Å; K395-N398 WeakPolarHBondContact O-CB 3.42Å; K395-N398 PolarHBondContact O-N 3.1Å; K395-N398 PolarHBondContact O-ND2 3.15Å; K395-N398 PolarHBondContact O-OD1 3.04Å; N398-V400 VanDerWaalsContact C-N 3.27Å; N398-V400 PolarHBondContact O-N 2.89Å; N398-V400 WeakPolarHBondContact OD1-CA 3.42Å; N398-V400 VanDerWaalsContact OD1-CB 3.3Å; N398-V400 WeakPolarHBondContact OD1-CB 3.33Å; N398-V400 PolarHBondContact OD1-N 3.12Å; N398-V400 PolarHBondContact OD1-O 2.57Å; N398-V400 VanDerWaalsContact OD1-O 3.07Å; N398-D402 PolarHBondContact ND2-OD2 2.77Å; N398-D408 PolarHBondContact N-OD2 2.83Å; N398-D408 PolarHBondContact OD1-OD2 3.42Å |
| 399 | K | 83.3 | Confident | 71.3 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 47% | 0.465 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 70.8 | 11.8 | -176 | -55 | 176.5 | 177.6 | 175.4 | 0 | 114.8 | D408 E414 | K399-D408 PolarHBondContact N-OD1 2.91Å; K399-D408 VanDerWaalsContact N-OD1 3.12Å; K399-D408 PolarHBondContact N-OD2 2.84Å; K399-E414 WeakPolarHBondContact CE-OE2 3.39Å; K399-E414 IonicContact NZ-OE2 3.92Å; K399-E414 PolarHBondContact NZ-OE2 2.95Å |
| 400 | V | 82 | Confident | 72.2 | Confident | 78 Ų | 78 | 68 Ų | 68 | 47% | 0.473 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -110.4 | 129.7 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 107 | N398 D402 D408 | N398-V400 VanDerWaalsContact C-N 3.27Å; N398-V400 PolarHBondContact O-N 2.89Å; N398-V400 WeakPolarHBondContact OD1-CA 3.42Å; N398-V400 VanDerWaalsContact OD1-CB 3.3Å; N398-V400 WeakPolarHBondContact OD1-CB 3.33Å; N398-V400 PolarHBondContact OD1-N 3.12Å; N398-V400 PolarHBondContact OD1-O 2.57Å; N398-V400 VanDerWaalsContact OD1-O 3.07Å; V400-D402 PolarHBondContact O-N 3.35Å; V400-D408 WeakPolarHBondContact O-CB 3.38Å |
| 401 | V | 80.2 | Confident | 73.5 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | trans | -80.7 | 101.1 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | E405 | V401-E405 HydrophobicContact CG1-CB 4.08Å; V401-E405 WeakPolarHBondContact CG1-O 3.44Å | ||
| 402 | D | 76.5 | Confident | 74.9 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.16 | 35% | 0.349 | C | S | . | . | trans | -82.9 | 169.5 | -179.8 | -68.6 | -52.4 | 0 | 0 | 0 | 111.5 | A394 K395 N398 V400 G404 E405 | A394-D402 VanDerWaalsContact CA-CB 3.49Å; A394-D402 WeakPolarHBondContact CA-OD2 3.33Å; A394-D402 HydrophobicContact CB-CB 3.5Å; A394-D402 VanDerWaalsContact CB-CB 3.5Å; K395-D402 PolarHBondContact N-OD2 3.31Å; K395-D402 VanDerWaalsContact N-OD2 3.1Å; N398-D402 PolarHBondContact ND2-OD2 2.77Å; V400-D402 PolarHBondContact O-N 3.35Å; D402-G404 PolarHBondContact O-N 2.66Å; D402-E405 HydrophobicContact CB-CG 4.48Å; D402-E405 PolarHBondContact N-OE2 3.49Å; D402-E405 VanDerWaalsContact N-OE2 3.15Å; D402-E405 WeakPolarHBondContact O-CB 3.42Å; D402-E405 PolarHBondContact O-N 3.04Å | ||
| 403 | E | 70.6 | Confident | 76.4 | Confident | 183 Ų | 183 | 62 Ų | 62 | 86% | 0.855 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 122.8 | -178 | -168.3 | 174.4 | 178.2 | 0 | 0 | 111.4 | ||
| 404 | G | 67.6 | Low | 78.2 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D402 | D402-G404 PolarHBondContact O-N 2.66Š|
| 405 | E | 79.4 | Confident | 79.5 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 15% | 0.15 | 33% | 0.328 | C | S | . | . | trans | -84.6 | 149.6 | 173.6 | -61.2 | -178.7 | 169.3 | 0 | 0 | 111.3 | C396 V401 D402 C427 | C396-E405 WeakPolarHBondContact CA-OE1 3.15Å; C396-E405 WeakPolarHBondContact CB-OE1 3.26Å; C396-E405 PolarHBondContact N-OE1 3.21Å; V401-E405 HydrophobicContact CG1-CB 4.08Å; V401-E405 WeakPolarHBondContact CG1-O 3.44Å; D402-E405 HydrophobicContact CB-CG 4.48Å; D402-E405 PolarHBondContact N-OE2 3.49Å; D402-E405 VanDerWaalsContact N-OE2 3.15Å; D402-E405 WeakPolarHBondContact O-CB 3.42Å; D402-E405 PolarHBondContact O-N 3.04Å; E405-C427 HydrophobicContact CB-CB 4.05Å; E405-C427 HydrophobicContact CG-CB 3.84Å | ||
| 406 | V | 81.9 | Confident | 80.4 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -97.9 | -29.8 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | C427 L429 | V406-C427 PolarHBondContact N-O 2Å; V406-L429 HydrophobicContact CG1-CD1 4.05Å; V406-L429 HydrophobicContact CG1-CD2 4.09Å; V406-L429 HydrophobicContact CG1-CG 3.72Å |
| 407 | C | 85.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | trans | -158.8 | 149.7 | -179.4 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | C422 C427 K428 A436 | C407-C422 HydrophobicContact CB-CB 3.76Å; C407-C422 WeakPolarHBondContact CB-SG 2.96Å; C407-C422 PolarHBondContact O-SG 3.02Å; C407-C422 WeakPolarHBondContact SG-CA 3.04Å; C407-C422 WeakPolarHBondContact SG-CB 3.13Å; C407-C422 CovalentContact SG-SG 2.03Å; C407-C422 PolarHBondContact SG-SG 2.79Å; C407-C427 PolarHBondContact N-O 3.33Å; C407-C427 VanDerWaalsContact N-O 3.15Å; C407-C427 CarbonylContact O-C 3.58Å; C407-C427 WeakPolarHBondContact O-CA 3.41Å; C407-C427 WeakPolarHBondContact O-CB 3.47Å; C407-C427 VanDerWaalsContact O-O 3.13Å; C407-C427 PolarHBondContact O-SG 2.89Å; C407-C427 VanDerWaalsContact O-SG 3.42Å; C407-K428 PolarHBondContact SG-O 3.27Å; C407-K428 VanDerWaalsContact SG-O 3.42Å; C407-A436 HydrophobicContact CB-CB 3.54Å | ||
| 408 | D | 87.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -137.9 | 115.2 | 168.3 | -171.1 | -22.1 | 0 | 0 | 0 | 110.3 | G397 N398 K399 V400 G410 R437 | G397-D408 WeakPolarHBondContact CA-OD1 3.37Å; G397-D408 WeakPolarHBondContact CA-OD2 3.19Å; G397-D408 VanDerWaalsContact N-CG 3.27Å; G397-D408 PolarHBondContact N-OD1 2.76Å; G397-D408 PolarHBondContact N-OD2 3.26Å; N398-D408 PolarHBondContact N-OD2 2.83Å; N398-D408 PolarHBondContact OD1-OD2 3.42Å; K399-D408 PolarHBondContact N-OD1 2.91Å; K399-D408 VanDerWaalsContact N-OD1 3.12Å; K399-D408 PolarHBondContact N-OD2 2.84Å; V400-D408 WeakPolarHBondContact O-CB 3.38Å; D408-G410 PolarHBondContact OD1-N 3.12Å; D408-R437 PolarHBondContact O-NH1 2.96Å; D408-R437 VanDerWaalsContact O-NH1 3.16Å; D408-R437 PolarHBondContact O-NH2 3.35Å | ||
| 409 | C | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -106.3 | 0.5 | -176.8 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | C415 D419 C422 | C409-C415 HydrophobicContact CB-CB 3.72Å; C409-C415 WeakPolarHBondContact CB-SG 3.13Å; C409-C415 WeakPolarHBondContact SG-CB 3.34Å; C409-C415 CovalentContact SG-SG 2Å; C409-C415 PolarHBondContact SG-SG 3.15Å; C409-D419 HydrophobicContact CB-CB 3.76Å; C409-C422 HydrophobicContact CB-CB 4.09Å | ||
| 410 | G | 84.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | 93.2 | -145.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | G397 D408 | G397-G410 WeakPolarHBondContact CA-O 3.46Å; G397-G410 WeakPolarHBondContact O-CA 3.33Å; D408-G410 PolarHBondContact OD1-N 3.12Å | ||
| 411 | S | 81.9 | Confident | 82.7 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -69.4 | 161.5 | -177.2 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | D413 E414 C415 | S411-D413 PolarHBondContact O-N 3.14Å; S411-E414 PolarHBondContact O-N 2.87Å; S411-E414 WeakPolarHBondContact OG-CG 3.3Å; S411-E414 PolarHBondContact OG-N 2.89Å; S411-C415 WeakPolarHBondContact O-CB 3Å; S411-C415 PolarHBondContact O-N 2.77Å |
| 412 | V | 77.7 | Confident | 83.1 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.4 | -39.1 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | A424 V425 | V412-A424 HydrophobicContact CG2-CB 4.19Å; V412-V425 HydrophobicContact CG2-CG2 4.01Å |
| 413 | D | 80 | Confident | 83.5 | Confident | 144 Ų | 144 | 53.6 Ų | 53.6 | 77% | 0.77 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -76.6 | -33.5 | -177.1 | -63.9 | -39 | 0 | 0 | 0 | 112.8 | S411 | S411-D413 PolarHBondContact O-N 3.14Å |
| 414 | E | 83.4 | Confident | 84.1 | Confident | 90 Ų | 90 | 45.2 Ų | 45.2 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -85.2 | -31.1 | -179.3 | -67.5 | 178.2 | -167.6 | 0 | 0 | 112.4 | K399 S411 E416 L417 I418 | K399-E414 WeakPolarHBondContact CE-OE2 3.39Å; K399-E414 IonicContact NZ-OE2 3.92Å; K399-E414 PolarHBondContact NZ-OE2 2.95Å; S411-E414 PolarHBondContact O-N 2.87Å; S411-E414 WeakPolarHBondContact OG-CG 3.3Å; S411-E414 PolarHBondContact OG-N 2.89Å; E414-E416 PolarHBondContact O-N 3.15Å; E414-L417 PolarHBondContact O-N 2.95Å; E414-L417 VanDerWaalsContact O-N 3.1Å; E414-I418 HydrophobicContact CB-CD1 3.96Å; E414-I418 WeakPolarHBondContact O-CG1 3.39Å; E414-I418 PolarHBondContact O-N 3.07Å; E414-I418 VanDerWaalsContact O-N 3.12Å |
| 415 | C | 86 | Confident | 84.5 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | -171 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | C409 S411 L417 I418 D419 C422 A424 | C409-C415 HydrophobicContact CB-CB 3.72Å; C409-C415 WeakPolarHBondContact CB-SG 3.13Å; C409-C415 WeakPolarHBondContact SG-CB 3.34Å; C409-C415 CovalentContact SG-SG 2Å; C409-C415 PolarHBondContact SG-SG 3.15Å; S411-C415 WeakPolarHBondContact O-CB 3Å; S411-C415 PolarHBondContact O-N 2.77Å; C415-L417 PolarHBondContact O-N 3.32Å; C415-L417 VanDerWaalsContact O-N 3.15Å; C415-I418 PolarHBondContact O-N 3.42Å; C415-I418 VanDerWaalsContact O-N 3.15Å; C415-D419 CarbonylContact O-C 3.56Å; C415-D419 PolarHBondContact O-N 2.03Å; C415-D419 VanDerWaalsContact O-O 3.14Å; C415-C422 PolarHBondContact SG-O 3.17Å; C415-C422 VanDerWaalsContact SG-O 3.33Å; C415-A424 HydrophobicContact CB-CB 3.52Å |
| 416 | E | 85.6 | Confident | 84.5 | Confident | 103 Ų | 103 | 41 Ų | 41 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.1 | -26.7 | -179.9 | -71.2 | -159.9 | 156.9 | 0 | 0 | 113.1 | E414 | E414-E416 PolarHBondContact O-N 3.15Å |
| 417 | L | 86.1 | Confident | 84.5 | Confident | 159 Ų | 159 | 36.7 Ų | 36.7 | 83% | 0.832 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -85.6 | -34.8 | 177 | -66.9 | 169.6 | 0 | 0 | 0 | 112.5 | E414 C415 | E414-L417 PolarHBondContact O-N 2.95Å; E414-L417 VanDerWaalsContact O-N 3.1Å; C415-L417 PolarHBondContact O-N 3.32Å; C415-L417 VanDerWaalsContact O-N 3.15Å |
| 418 | I | 85.7 | Confident | 84.4 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.8 | -43.8 | -175.4 | -66.2 | 171.9 | 0 | 0 | 0 | 111.2 | E414 C415 | E414-I418 HydrophobicContact CB-CD1 3.96Å; E414-I418 WeakPolarHBondContact O-CG1 3.39Å; E414-I418 PolarHBondContact O-N 3.07Å; E414-I418 VanDerWaalsContact O-N 3.12Å; C415-I418 PolarHBondContact O-N 3.42Å; C415-I418 VanDerWaalsContact O-N 3.15Å |
| 419 | D | 89.2 | Confident | 84.3 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -152 | 91.5 | -172.8 | -169.1 | -27.9 | 0 | 0 | 0 | 109.9 | C409 C415 C421 C422 A436 R437 | C409-D419 HydrophobicContact CB-CB 3.76Å; C415-D419 CarbonylContact O-C 3.56Å; C415-D419 PolarHBondContact O-N 2.03Å; C415-D419 VanDerWaalsContact O-O 3.14Å; D419-C421 PolarHBondContact O-N 2.85Å; D419-C421 VanDerWaalsContact O-N 3.09Å; D419-C421 VanDerWaalsContact OD1-CB 3.26Å; D419-C421 WeakPolarHBondContact OD1-CB 3.38Å; D419-C421 PolarHBondContact OD1-N 3.17Å; D419-C422 HydrophobicContact CB-CB 4.06Å; D419-C422 PolarHBondContact O-N 2.93Å; D419-C422 PolarHBondContact OD1-N 3.32Å; D419-C422 VanDerWaalsContact OD1-N 3.15Å; D419-A436 WeakPolarHBondContact OD2-CB 3.44Å; D419-R437 WeakPolarHBondContact OD2-CG 3.46Å; D419-R437 IonicContact OD2-NE 2.77Å; D419-R437 PolarHBondContact OD2-NE 3.41Å | ||
| 420 | P | 88.6 | Confident | 84.3 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 53% | 0.532 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.7 | -178.4 | 27.2 | -34.6 | 0 | 0 | 0 | 112.9 | K430 | P420-K430 WeakPolarHBondContact O-CD 3.45Å; P420-K430 PolarHBondContact O-NZ 3.01Å |
| 421 | C | 91.8 | Very high | 84.2 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -23.2 | -177.7 | -45.3 | 0 | 0 | 0 | 0 | 112.7 | D419 K430 A433 C435 A436 C444 | D419-C421 PolarHBondContact O-N 2.85Å; D419-C421 VanDerWaalsContact O-N 3.09Å; D419-C421 VanDerWaalsContact OD1-CB 3.26Å; D419-C421 WeakPolarHBondContact OD1-CB 3.38Å; D419-C421 PolarHBondContact OD1-N 3.17Å; C421-K430 PolarHBondContact O-N 3.15Å; C421-A433 HydrophobicContact CB-CB 4.1Å; C421-C435 WeakPolarHBondContact CB-O 3.32Å; C421-A436 HydrophobicContact CB-CB 4.19Å; C421-C444 WeakPolarHBondContact CA-SG 3.24Å; C421-C444 HydrophobicContact CB-CB 3.67Å; C421-C444 WeakPolarHBondContact CB-SG 3.49Å; C421-C444 WeakPolarHBondContact SG-CA 3.21Å; C421-C444 WeakPolarHBondContact SG-CB 2.95Å; C421-C444 PolarHBondContact SG-N 2.89Å; C421-C444 CovalentContact SG-SG 2.02Å; C421-C444 PolarHBondContact SG-SG 2.84Å |
| 422 | C | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -90.1 | 138.6 | -177.7 | -165.2 | 0 | 0 | 0 | 0 | 112.5 | C407 C409 C415 D419 K430 | C407-C422 HydrophobicContact CB-CB 3.76Å; C407-C422 WeakPolarHBondContact CB-SG 2.96Å; C407-C422 PolarHBondContact O-SG 3.02Å; C407-C422 WeakPolarHBondContact SG-CA 3.04Å; C407-C422 WeakPolarHBondContact SG-CB 3.13Å; C407-C422 CovalentContact SG-SG 2.03Å; C407-C422 PolarHBondContact SG-SG 2.79Å; C409-C422 HydrophobicContact CB-CB 4.09Å; C415-C422 PolarHBondContact SG-O 3.17Å; C415-C422 VanDerWaalsContact SG-O 3.33Å; D419-C422 HydrophobicContact CB-CB 4.06Å; D419-C422 PolarHBondContact O-N 2.93Å; D419-C422 PolarHBondContact OD1-N 3.32Å; D419-C422 VanDerWaalsContact OD1-N 3.15Å; C422-K430 WeakPolarHBondContact O-CE 3.35Å |
| 423 | D | 84.6 | Confident | 85 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -88.2 | 114.4 | 167.4 | -170.3 | -52.3 | 0 | 0 | 0 | 109.9 | V425 T426 C427 K428 K430 | D423-V425 PolarHBondContact O-N 3.35Å; D423-V425 VanDerWaalsContact O-N 3.14Å; D423-V425 WeakPolarHBondContact OD1-CB 3.36Å; D423-V425 PolarHBondContact OD1-N 2.76Å; D423-T426 WeakPolarHBondContact CB-OG1 3.02Å; D423-T426 PolarHBondContact O-N 3.44Å; D423-T426 PolarHBondContact OD1-N 3.33Å; D423-C427 WeakPolarHBondContact O-CA 3.41Å; D423-C427 PolarHBondContact O-N 3.22Å; D423-K428 PolarHBondContact N-O 3.22Å; D423-K430 HydrophobicContact CB-CG 4.17Å | ||
| 424 | A | 82.7 | Confident | 85.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V412 C415 | V412-A424 HydrophobicContact CG2-CB 4.19Å; C415-A424 HydrophobicContact CB-CB 3.52Å |
| 425 | V | 76.7 | Confident | 85.8 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -37.7 | -177.6 | -179 | 0 | 0 | 0 | 0 | 110.5 | V179 F384 V412 D423 | V179-V425 HydrophobicContact CG2-CB 4.17Å; V179-V425 HydrophobicContact CG2-CG1 4.06Å; F384-V425 HydrophobicContact CE2-CG1 3.65Å; F384-V425 HydrophobicContact CZ-CG1 3.85Å; V412-V425 HydrophobicContact CG2-CG2 4.01Å; D423-V425 PolarHBondContact O-N 3.35Å; D423-V425 VanDerWaalsContact O-N 3.14Å; D423-V425 WeakPolarHBondContact OD1-CB 3.36Å; D423-V425 PolarHBondContact OD1-N 2.76Å |
| 426 | T | 78.9 | Confident | 85.8 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -13.1 | -175.1 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | V179 F384 D423 K428 | V179-T426 HydrophobicContact CG2-CG2 4.48Å; F384-T426 HydrophobicContact CD1-CG2 4.2Å; F384-T426 HydrophobicContact CE1-CG2 3.78Å; F384-T426 HydrophobicContact CZ-CG2 4.16Å; D423-T426 WeakPolarHBondContact CB-OG1 3.02Å; D423-T426 PolarHBondContact O-N 3.44Å; D423-T426 PolarHBondContact OD1-N 3.33Å; T426-K428 PolarHBondContact O-N 2.89Å; T426-K428 VanDerWaalsContact O-N 3.15Å |
| 427 | C | 81.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 54.3 | 29.7 | -173.5 | -72.7 | 0 | 0 | 0 | 0 | 113.3 | C396 E405 V406 C407 D423 | C396-C427 WeakPolarHBondContact CA-SG 3.25Å; C396-C427 HydrophobicContact CB-CB 3.73Å; C396-C427 WeakPolarHBondContact CB-SG 2.99Å; C396-C427 WeakPolarHBondContact SG-CB 2.95Å; C396-C427 PolarHBondContact SG-N 2.77Å; C396-C427 CovalentContact SG-SG 2.02Å; C396-C427 PolarHBondContact SG-SG 2.89Å; E405-C427 HydrophobicContact CB-CB 4.05Å; E405-C427 HydrophobicContact CG-CB 3.84Å; V406-C427 PolarHBondContact N-O 2Å; C407-C427 PolarHBondContact N-O 3.33Å; C407-C427 VanDerWaalsContact N-O 3.15Å; C407-C427 CarbonylContact O-C 3.58Å; C407-C427 WeakPolarHBondContact O-CA 3.41Å; C407-C427 WeakPolarHBondContact O-CB 3.47Å; C407-C427 VanDerWaalsContact O-O 3.13Å; C407-C427 PolarHBondContact O-SG 2.89Å; C407-C427 VanDerWaalsContact O-SG 3.42Å; D423-C427 WeakPolarHBondContact O-CA 3.41Å; D423-C427 PolarHBondContact O-N 3.22Å |
| 428 | K | 84.6 | Confident | 85.8 | Confident | 75 Ų | 75 | 38 Ų | 38 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -112.4 | 166 | 173.7 | -61.9 | -174.9 | -170.8 | -179.7 | 0 | 110.2 | E182 C407 D423 T426 | E182-K428 IonicContact OE1-NZ 2.86Å; E182-K428 PolarHBondContact OE1-NZ 3.02Å; E182-K428 IonicContact OE2-NZ 3.73Å; E182-K428 PolarHBondContact OE2-NZ 3.07Å; C407-K428 PolarHBondContact SG-O 3.27Å; C407-K428 VanDerWaalsContact SG-O 3.42Å; D423-K428 PolarHBondContact N-O 3.22Å; T426-K428 PolarHBondContact O-N 2.89Å; T426-K428 VanDerWaalsContact O-N 3.15Å |
| 429 | L | 85.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 136.7 | 172.4 | -62.8 | 177.7 | 0 | 0 | 0 | 110.6 | V406 A433 Q434 A436 | V406-L429 HydrophobicContact CG1-CD1 4.05Å; V406-L429 HydrophobicContact CG1-CD2 4.09Å; V406-L429 HydrophobicContact CG1-CG 3.72Å; L429-A433 HydrophobicContact CB-CB 4.13Å; L429-A433 HydrophobicContact CD2-CB 4.43Å; L429-Q434 WeakPolarHBondContact CD1-O 3.26Å; L429-A436 HydrophobicContact CD2-CB 3.49Å; L429-A436 VanDerWaalsContact CD2-CB 3.49Å |
| 430 | K | 85.4 | Confident | 86 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 154.8 | 168.5 | -70.1 | -177.4 | -174.1 | 152.6 | 0 | 110.4 | P420 C421 C422 D423 G432 A433 | P420-K430 WeakPolarHBondContact O-CD 3.45Å; P420-K430 PolarHBondContact O-NZ 3.01Å; C421-K430 PolarHBondContact O-N 3.15Å; C422-K430 WeakPolarHBondContact O-CE 3.35Å; D423-K430 HydrophobicContact CB-CG 4.17Å; K430-G432 PolarHBondContact O-N 3.09Å; K430-A433 WeakPolarHBondContact O-CB 3.35Å; K430-A433 PolarHBondContact O-N 3.47Å |
| 431 | A | 84.3 | Confident | 86.2 | Confident | 101 Ų | 101 | 34.9 Ų | 34.9 | 84% | 0.835 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 124.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 432 | G | 85.2 | Confident | 86.2 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 68% | 0.68 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -9.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K430 Q445 | K430-G432 PolarHBondContact O-N 3.09Å; G432-Q445 PolarHBondContact O-NE2 3.16Å |
| 433 | A | 91.3 | Very high | 86.3 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -79.1 | 131.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | C421 L429 K430 C444 | C421-A433 HydrophobicContact CB-CB 4.1Å; L429-A433 HydrophobicContact CB-CB 4.13Å; L429-A433 HydrophobicContact CD2-CB 4.43Å; K430-A433 WeakPolarHBondContact O-CB 3.35Å; K430-A433 PolarHBondContact O-N 3.47Å; A433-C444 HydrophobicContact CB-CB 3.69Å | ||
| 434 | Q | 89.6 | Confident | 86.7 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -93.8 | -26.5 | 173.3 | -63.9 | -178 | -21.4 | 0 | 0 | 111.9 | L429 C444 F446 | L429-Q434 WeakPolarHBondContact CD1-O 3.26Å; Q434-C444 PolarHBondContact N-O 2.96Å; Q434-F446 HydrophobicContact CB-CD1 4.34Å; Q434-F446 HydrophobicContact CB-CD2 3.89Å; Q434-F446 HydrophobicContact CB-CE1 4.18Å; Q434-F446 HydrophobicContact CB-CE2 3.72Å; Q434-F446 HydrophobicContact CB-CG 4.22Å; Q434-F446 HydrophobicContact CB-CZ 3.87Å; Q434-F446 HydrophobicContact CG-CD2 4.48Å; Q434-F446 HydrophobicContact CG-CE2 4.42Å; Q434-F446 WeakPolarHBondContact O-CE1 3.01Å; Q434-F446 WeakPolarHBondContact O-CZ 3.45Å |
| 435 | C | 88.7 | Confident | 87.2 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | trans | -146.7 | 161 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | C421 C441 C444 Q445 F446 | C421-C435 WeakPolarHBondContact CB-O 3.32Å; C435-C441 HydrophobicContact CB-CB 3.7Å; C435-C441 WeakPolarHBondContact CB-SG 3.43Å; C435-C441 WeakPolarHBondContact SG-CA 3.3Å; C435-C441 WeakPolarHBondContact SG-CB 3.33Å; C435-C441 CovalentContact SG-SG 2.03Å; C435-C441 PolarHBondContact SG-SG 2.97Å; C435-C444 PolarHBondContact N-O 3.18Å; C435-C444 WeakPolarHBondContact O-CA 3.43Å; C435-C444 VanDerWaalsContact SG-C 3.51Å; C435-Q445 PolarHBondContact SG-O 3.49Å; C435-F446 HydrophobicContact CB-CD1 3.8Å; C435-F446 HydrophobicContact CB-CE1 3.64Å | ||
| 436 | A | 87.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -112.3 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C407 D419 C421 L429 | C407-A436 HydrophobicContact CB-CB 3.54Å; D419-A436 WeakPolarHBondContact OD2-CB 3.44Å; C421-A436 HydrophobicContact CB-CB 4.19Å; L429-A436 HydrophobicContact CD2-CB 3.49Å; L429-A436 VanDerWaalsContact CD2-CB 3.49Å |
| 437 | R | 84.5 | Confident | 88.4 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -138.8 | 172.9 | -176.6 | -68.3 | -172.3 | 178.3 | 158 | 4 | 112.3 | D408 D419 C441 | D408-R437 PolarHBondContact O-NH1 2.96Å; D408-R437 VanDerWaalsContact O-NH1 3.16Å; D408-R437 PolarHBondContact O-NH2 3.35Å; D419-R437 WeakPolarHBondContact OD2-CG 3.46Å; D419-R437 IonicContact OD2-NE 2.77Å; D419-R437 PolarHBondContact OD2-NE 3.41Å; R437-C441 WeakPolarHBondContact O-CB 3.31Å |
| 438 | G | 85.8 | Confident | 88.3 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 108.9 | 161.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | C440 C441 G472 | G438-C440 PolarHBondContact O-N 2.79Å; G438-C440 VanDerWaalsContact O-N 3.11Å; G438-C441 PolarHBondContact O-N 3.12Å; G438-C441 VanDerWaalsContact O-N 3.12Å; G438-G472 CarbonylContact C-O 3.45Å; G438-G472 VanDerWaalsContact CA-O 3.23Å; G438-G472 WeakPolarHBondContact CA-O 3.06Å |
| 439 | P | 88.7 | Confident | 88.1 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.8 | -177.1 | 29.4 | -37 | 0 | 0 | 0 | 113.2 | C453 C474 | P439-C453 HydrophobicContact CB-CB 4Å; P439-C453 HydrophobicContact CG-CB 3.99Å; P439-C474 HydrophobicContact CG-CB 3.71Å |
| 440 | C | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 15.2 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | G438 I447 C453 C467 G472 | G438-C440 PolarHBondContact O-N 2.79Å; G438-C440 VanDerWaalsContact O-N 3.11Å; C440-I447 WeakPolarHBondContact O-CG1 3.16Å; C440-I447 PolarHBondContact O-N 2.79Å; C440-C453 VanDerWaalsContact SG-CB 3.57Å; C440-C467 WeakPolarHBondContact CA-SG 3.49Å; C440-C467 HydrophobicContact CB-CB 3.51Å; C440-C467 WeakPolarHBondContact CB-SG 3.23Å; C440-C467 WeakPolarHBondContact SG-CA 3.34Å; C440-C467 WeakPolarHBondContact SG-CB 3.42Å; C440-C467 CovalentContact SG-SG 2.03Å; C440-C467 PolarHBondContact SG-SG 3.06Å; C440-G472 CarbonylContact C-O 3.59Å; C440-G472 VanDerWaalsContact CA-O 3.3Å; C440-G472 WeakPolarHBondContact CA-O 3.26Å; C440-G472 VanDerWaalsContact CB-O 3.3Å; C440-G472 WeakPolarHBondContact CB-O 3.46Å; C440-G472 PolarHBondContact N-O 3.07Å |
| 441 | C | 91.9 | Very high | 88.1 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116 | 174.8 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | C435 R437 G438 G472 | C435-C441 HydrophobicContact CB-CB 3.7Å; C435-C441 WeakPolarHBondContact CB-SG 3.43Å; C435-C441 WeakPolarHBondContact SG-CA 3.3Å; C435-C441 WeakPolarHBondContact SG-CB 3.33Å; C435-C441 CovalentContact SG-SG 2.03Å; C435-C441 PolarHBondContact SG-SG 2.97Å; R437-C441 WeakPolarHBondContact O-CB 3.31Å; G438-C441 PolarHBondContact O-N 3.12Å; G438-C441 VanDerWaalsContact O-N 3.12Å; C441-G472 PolarHBondContact N-O 3.07Å |
| 442 | D | 91.4 | Very high | 88.4 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.8 | 172.3 | -176.8 | 37 | 0 | 0 | 0 | 109.7 | C444 Q445 I447 | D442-C444 PolarHBondContact O-N 3.46Å; D442-C444 VanDerWaalsContact O-N 3.14Å; D442-Q445 PolarHBondContact N-O 3.34Å; D442-Q445 PolarHBondContact O-N 2.9Å; D442-Q445 VanDerWaalsContact O-O 3.13Å; D442-I447 HydrophobicContact CB-CD1 4.05Å; D442-I447 HydrophobicContact CB-CG1 3.9Å |
| 443 | K | 91 | Very high | 88.6 | Confident | 176 Ų | 176 | 62 Ų | 62 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 46.6 | -179.2 | -60.1 | 175.8 | -172.2 | 172 | 0 | 113.5 | Q445 | K443-Q445 PolarHBondContact O-N 2.78Š|
| 444 | C | 92.8 | Very high | 88.5 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 13 | -179.2 | -39.7 | 0 | 0 | 0 | 0 | 115.7 | C421 A433 Q434 C435 D442 | C421-C444 WeakPolarHBondContact CA-SG 3.24Å; C421-C444 HydrophobicContact CB-CB 3.67Å; C421-C444 WeakPolarHBondContact CB-SG 3.49Å; C421-C444 WeakPolarHBondContact SG-CA 3.21Å; C421-C444 WeakPolarHBondContact SG-CB 2.95Å; C421-C444 PolarHBondContact SG-N 2.89Å; C421-C444 CovalentContact SG-SG 2.02Å; C421-C444 PolarHBondContact SG-SG 2.84Å; A433-C444 HydrophobicContact CB-CB 3.69Å; Q434-C444 PolarHBondContact N-O 2.96Å; C435-C444 PolarHBondContact N-O 3.18Å; C435-C444 WeakPolarHBondContact O-CA 3.43Å; C435-C444 VanDerWaalsContact SG-C 3.51Å; D442-C444 PolarHBondContact O-N 3.46Å; D442-C444 VanDerWaalsContact O-N 3.14Å |
| 445 | Q | 93.2 | Very high | 88.5 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.5 | 177.5 | -57.8 | -60.1 | -53.2 | 0 | 0 | 110.9 | G432 C435 D442 K443 | G432-Q445 PolarHBondContact O-NE2 3.16Å; C435-Q445 PolarHBondContact SG-O 3.49Å; D442-Q445 PolarHBondContact N-O 3.34Å; D442-Q445 PolarHBondContact O-N 2.9Å; D442-Q445 VanDerWaalsContact O-O 3.13Å; K443-Q445 PolarHBondContact O-N 2.78Å |
| 446 | F | 91.5 | Very high | 88.6 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.6 | 174.8 | -57.8 | -47.6 | 0 | 0 | 0 | 111.1 | Q434 C435 S448 A469 I470 S471 G472 | Q434-F446 HydrophobicContact CB-CD1 4.34Å; Q434-F446 HydrophobicContact CB-CD2 3.89Å; Q434-F446 HydrophobicContact CB-CE1 4.18Å; Q434-F446 HydrophobicContact CB-CE2 3.72Å; Q434-F446 HydrophobicContact CB-CG 4.22Å; Q434-F446 HydrophobicContact CB-CZ 3.87Å; Q434-F446 HydrophobicContact CG-CD2 4.48Å; Q434-F446 HydrophobicContact CG-CE2 4.42Å; Q434-F446 WeakPolarHBondContact O-CE1 3.01Å; Q434-F446 WeakPolarHBondContact O-CZ 3.45Å; C435-F446 HydrophobicContact CB-CD1 3.8Å; C435-F446 HydrophobicContact CB-CE1 3.64Å; F446-S448 PolarHBondContact O-N 3.06Å; F446-A469 VanDerWaalsContact CD2-O 3.23Å; F446-A469 WeakPolarHBondContact CD2-O 3.37Å; F446-I470 VanDerWaalsContact CZ-C 3.49Å; F446-I470 WeakPolarHBondContact CZ-O 3.44Å; F446-S471 VanDerWaalsContact CE1-CA 3.5Å; F446-G472 VanDerWaalsContact CD1-N 3.29Å |
| 447 | I | 89.6 | Confident | 88.5 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | trans | -78.3 | 102.8 | 173.2 | -58.4 | 178.5 | 0 | 0 | 0 | 108.8 | C440 D442 T451 C467 | C440-I447 WeakPolarHBondContact O-CG1 3.16Å; C440-I447 PolarHBondContact O-N 2.79Å; D442-I447 HydrophobicContact CB-CD1 4.05Å; D442-I447 HydrophobicContact CB-CG1 3.9Å; I447-T451 HydrophobicContact CG2-CG2 4.44Å; I447-T451 VanDerWaalsContact CG2-OG1 3.32Å; I447-T451 WeakPolarHBondContact CG2-OG1 3.47Å; I447-C467 HydrophobicContact CB-CB 4.07Å; I447-C467 HydrophobicContact CG2-CB 4.31Å; I447-C467 VanDerWaalsContact O-CB 3.23Å; I447-C467 WeakPolarHBondContact O-CB 3Å | ||
| 448 | S | 80.2 | Confident | 88.6 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | trans | -84.9 | -7.7 | -177.2 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | F446 E450 | F446-S448 PolarHBondContact O-N 3.06Å; S448-E450 PolarHBondContact O-N 2.9Å | ||
| 449 | N | 79.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 73.2 Ų | 73.2 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -80.4 | 28.3 | -169.8 | -77.8 | -3.2 | 0 | 0 | 0 | 114.4 | T451 | N449-T451 PolarHBondContact O-N 3.28Š|
| 450 | E | 80.3 | Confident | 89.1 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | trans | 47.2 | 32.8 | -175.7 | -65.7 | -171.2 | 172.8 | 0 | 0 | 112.6 | S448 I452 R466 | S448-E450 PolarHBondContact O-N 2.9Å; E450-I452 PolarHBondContact O-N 3.26Å; E450-R466 HydrophobicContact CB-CB 4.45Å; E450-R466 WeakPolarHBondContact O-CD 3.37Å; E450-R466 WeakPolarHBondContact O-CG 3.42Å; E450-R466 PolarHBondContact O-NH1 2.65Å | ||
| 451 | T | 90.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 37% | 0.368 | 39% | 0.393 | S | S | . | . | trans | -67.9 | 130.5 | -172.7 | -59.9 | 0 | 0 | 0 | 0 | 108.8 | I447 N449 C453 R466 C467 | I447-T451 HydrophobicContact CG2-CG2 4.44Å; I447-T451 VanDerWaalsContact CG2-OG1 3.32Å; I447-T451 WeakPolarHBondContact CG2-OG1 3.47Å; N449-T451 PolarHBondContact O-N 3.28Å; T451-C453 PolarHBondContact O-N 3.1Å; T451-C453 VanDerWaalsContact O-N 3.16Å; T451-R466 CarbonylContact O-C 3.57Å; T451-R466 VanDerWaalsContact O-CA 3.31Å; T451-R466 WeakPolarHBondContact O-CA 3.3Å; T451-C467 PolarHBondContact O-N 3.46Å; T451-C467 PolarHBondContact O-SG 2.01Å | ||
| 452 | I | 91 | Very high | 89 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 117.3 | -179.4 | -60 | 175 | 0 | 0 | 0 | 108.1 | E450 R454 P464 E465 R466 | E450-I452 PolarHBondContact O-N 3.26Å; I452-R454 VanDerWaalsContact CG2-O 3.24Å; I452-R454 WeakPolarHBondContact CG2-O 3.43Å; I452-P464 HydrophobicContact CD1-CB 4.45Å; I452-P464 HydrophobicContact CG2-CB 4.11Å; I452-E465 CarbonylContact C-O 3.6Å; I452-E465 WeakPolarHBondContact CA-O 2.96Å; I452-R466 HydrophobicContact CG1-CG 4.22Å |
| 453 | C | 89.4 | Confident | 88.9 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -23.5 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | P439 C440 T451 E465 C474 | P439-C453 HydrophobicContact CB-CB 4Å; P439-C453 HydrophobicContact CG-CB 3.99Å; C440-C453 VanDerWaalsContact SG-CB 3.57Å; T451-C453 PolarHBondContact O-N 3.1Å; T451-C453 VanDerWaalsContact O-N 3.16Å; C453-E465 PolarHBondContact N-O 3.2Å; C453-E465 PolarHBondContact SG-O 3.15Å; C453-C474 VanDerWaalsContact C-SG 3.59Å; C453-C474 HydrophobicContact CB-CB 3.73Å; C453-C474 WeakPolarHBondContact CB-SG 3.39Å; C453-C474 WeakPolarHBondContact SG-CA 3.36Å; C453-C474 WeakPolarHBondContact SG-CB 3.43Å; C453-C474 CovalentContact SG-SG 2.03Å; C453-C474 PolarHBondContact SG-SG 2.66Å |
| 454 | R | 88.4 | Confident | 88.9 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.8 | 167.5 | -165 | -169.4 | 68.4 | 99.6 | 15.8 | 109.1 | I452 D462 F463 P464 E465 D477 | I452-R454 VanDerWaalsContact CG2-O 3.24Å; I452-R454 WeakPolarHBondContact CG2-O 3.43Å; R454-D462 IonicContact CZ-OD1 3.13Å; R454-D462 IonicContact CZ-OD2 3.67Å; R454-D462 IonicContact NH1-OD1 3.71Å; R454-D462 PolarHBondContact NH1-OD1 2.82Å; R454-D462 IonicContact NH1-OD2 3.32Å; R454-D462 PolarHBondContact NH1-OD2 3.15Å; R454-D462 VanDerWaalsContact NH2-CG 3.3Å; R454-D462 IonicContact NH2-OD1 2.77Å; R454-D462 PolarHBondContact NH2-OD1 3.06Å; R454-D462 IonicContact NH2-OD2 2.86Å; R454-D462 PolarHBondContact NH2-OD2 2.02Å; R454-F463 PolarHBondContact NH2-O 3.48Å; R454-P464 CarbonylContact O-C 3.54Å; R454-P464 WeakPolarHBondContact O-CA 3.49Å; R454-E465 HydrophobicContact CB-CB 4.23Å; R454-E465 IonicContact CZ-OE2 3.64Å; R454-E465 PolarHBondContact N-O 3.36Å; R454-E465 IonicContact NE-OE2 2.71Å; R454-E465 PolarHBondContact NE-OE2 3.12Å; R454-E465 IonicContact NH2-OE1 2.74Å; R454-E465 PolarHBondContact NH2-OE1 3.14Å; R454-E465 IonicContact NH2-OE2 3.51Å; R454-E465 PolarHBondContact NH2-OE2 3.27Å; R454-E465 PolarHBondContact O-N 3.39Å; R454-E465 VanDerWaalsContact O-N 3.09Å; R454-D477 IonicContact CZ-OD1 3.12Å; R454-D477 IonicContact CZ-OD2 2.74Å; R454-D477 IonicContact NE-OD1 3.96Å; R454-D477 IonicContact NE-OD2 3.16Å; R454-D477 VanDerWaalsContact NH1-CG 3.25Å; R454-D477 IonicContact NH1-OD1 2.65Å; R454-D477 PolarHBondContact NH1-OD1 2.96Å; R454-D477 VanDerWaalsContact NH1-OD1 3.11Å; R454-D477 IonicContact NH1-OD2 3.56Å; R454-D477 PolarHBondContact NH1-OD2 3.11Å; R454-D477 IonicContact NH2-OD1 3.7Å; R454-D477 PolarHBondContact NH2-OD1 3.06Å |
| 455 | H | 89.5 | Confident | 88.8 | Confident | 138 Ų | 138 | 66.8 Ų | 66.8 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | trans | -76.6 | 143.4 | 173.3 | -69.2 | -82.7 | 0 | 0 | 0 | 110 | Q457 | H455-Q457 PolarHBondContact O-N 3.3Š| ||
| 456 | S | 90.8 | Very high | 88.8 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | trans | -57.5 | 127.7 | 169.5 | 165.4 | 0 | 0 | 0 | 0 | 110.5 | D458 D462 | S456-D458 PolarHBondContact OG-N 2.03Å; S456-D458 PolarHBondContact OG-O 2.97Å; S456-D462 WeakPolarHBondContact CB-O 3.45Å; S456-D462 PolarHBondContact OG-O 3.12Å | ||
| 457 | Q | 85.6 | Confident | 88.7 | Confident | 126 Ų | 126 | 66.4 Ų | 66.4 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -82.2 | -18.2 | 173.7 | -62.3 | -172.1 | 22.9 | 0 | 0 | 112.6 | H455 D462 | H455-Q457 PolarHBondContact O-N 3.3Å; Q457-D462 WeakPolarHBondContact CB-OD2 2.97Å; Q457-D462 PolarHBondContact N-OD2 2.91Å |
| 458 | D | 87 | Confident | 88.5 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -143.5 | 116.1 | 179.6 | -173.8 | -61.5 | 0 | 0 | 0 | 109.3 | S456 E460 C461 D462 G497 C499 | S456-D458 PolarHBondContact OG-N 2.03Å; S456-D458 PolarHBondContact OG-O 2.97Å; D458-E460 PolarHBondContact O-N 2.87Å; D458-E460 PolarHBondContact OD1-N 3.13Å; D458-C461 HydrophobicContact CB-CB 4.23Å; D458-C461 PolarHBondContact O-N 2.95Å; D458-C461 PolarHBondContact OD1-N 3.17Å; D458-D462 HydrophobicContact CB-CB 4.06Å; D458-D462 WeakPolarHBondContact O-CB 3Å; D458-D462 PolarHBondContact O-N 3.36Å; D458-G497 VanDerWaalsContact CB-O 3.22Å; D458-G497 WeakPolarHBondContact CB-O 3.31Å; D458-C499 WeakPolarHBondContact OD2-CB 3.32Å; D458-C499 PolarHBondContact OD2-N 2.94Å |
| 459 | A | 90.8 | Very high | 88.8 | Confident | 105 Ų | 105 | 66 Ų | 66 | 87% | 0.868 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 460 | E | 93 | Very high | 89.1 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -29.1 | -178.8 | -66.9 | -172.4 | -127.6 | 0 | 0 | 113.2 | D458 K480 C486 G487 | D458-E460 PolarHBondContact O-N 2.87Å; D458-E460 PolarHBondContact OD1-N 3.13Å; E460-K480 VanDerWaalsContact O-CD 3.32Å; E460-K480 WeakPolarHBondContact O-CD 3.43Å; E460-C486 HydrophobicContact CB-CB 4.18Å; E460-C486 VanDerWaalsContact OE2-CA 3.31Å; E460-C486 WeakPolarHBondContact OE2-CA 3.47Å; E460-G487 WeakPolarHBondContact OE1-CA 3.23Å; E460-G487 PolarHBondContact OE1-N 3.25Å; E460-G487 PolarHBondContact OE2-N 3.35Å |
| 461 | C | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -17.7 | -171.8 | -64.7 | 0 | 0 | 0 | 0 | 114.8 | D458 Y479 K480 C486 C494 C499 | D458-C461 HydrophobicContact CB-CB 4.23Å; D458-C461 PolarHBondContact O-N 2.95Å; D458-C461 PolarHBondContact OD1-N 3.17Å; C461-Y479 VanDerWaalsContact O-CB 3.27Å; C461-Y479 WeakPolarHBondContact O-CB 3.26Å; C461-K480 WeakPolarHBondContact O-CB 2.99Å; C461-K480 PolarHBondContact O-N 2.03Å; C461-C486 VanDerWaalsContact SG-SG 3.69Å; C461-C494 WeakPolarHBondContact CA-SG 3.23Å; C461-C494 HydrophobicContact CB-CB 3.65Å; C461-C494 WeakPolarHBondContact CB-SG 3.07Å; C461-C494 WeakPolarHBondContact SG-CA 2.97Å; C461-C494 WeakPolarHBondContact SG-CB 3.28Å; C461-C494 CovalentContact SG-SG 2.03Å; C461-C494 PolarHBondContact SG-SG 2.94Å; C461-C499 VanDerWaalsContact SG-CA 3.52Å; C461-C499 PolarHBondContact SG-N 3.09Å; C461-C499 VanDerWaalsContact SG-N 3.41Å |
| 462 | D | 90.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -119 | 131.9 | -174.4 | -164.5 | 17.6 | 0 | 0 | 0 | 111.5 | R454 S456 Q457 D458 G497 | R454-D462 IonicContact CZ-OD1 3.13Å; R454-D462 IonicContact CZ-OD2 3.67Å; R454-D462 IonicContact NH1-OD1 3.71Å; R454-D462 PolarHBondContact NH1-OD1 2.82Å; R454-D462 IonicContact NH1-OD2 3.32Å; R454-D462 PolarHBondContact NH1-OD2 3.15Å; R454-D462 VanDerWaalsContact NH2-CG 3.3Å; R454-D462 IonicContact NH2-OD1 2.77Å; R454-D462 PolarHBondContact NH2-OD1 3.06Å; R454-D462 IonicContact NH2-OD2 2.86Å; R454-D462 PolarHBondContact NH2-OD2 2.02Å; S456-D462 WeakPolarHBondContact CB-O 3.45Å; S456-D462 PolarHBondContact OG-O 3.12Å; Q457-D462 WeakPolarHBondContact CB-OD2 2.97Å; Q457-D462 PolarHBondContact N-OD2 2.91Å; D458-D462 HydrophobicContact CB-CB 4.06Å; D458-D462 WeakPolarHBondContact O-CB 3Å; D458-D462 PolarHBondContact O-N 3.36Å; D462-G497 WeakPolarHBondContact CB-O 3.37Å |
| 463 | F | 89.8 | Confident | 89 | Confident | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 142.6 | 179.9 | -60.5 | -58 | 0 | 0 | 0 | 111.4 | R454 E465 S478 K480 | R454-F463 PolarHBondContact NH2-O 3.48Å; F463-E465 PolarHBondContact O-N 3.03Å; F463-E465 VanDerWaalsContact O-OE2 3.11Å; F463-S478 WeakPolarHBondContact CB-O 3.38Å; F463-S478 PolarHBondContact N-O 3.4Å; F463-S478 VanDerWaalsContact N-O 3.16Å; F463-K480 HydrophobicContact CE2-CB 4.44Å; F463-K480 HydrophobicContact CZ-CB 4.21Å |
| 464 | P | 91.3 | Very high | 88.8 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 126.5 | 171.3 | 30.2 | -32.6 | 0 | 0 | 0 | 111.3 | I452 R454 | I452-P464 HydrophobicContact CD1-CB 4.45Å; I452-P464 HydrophobicContact CG2-CB 4.11Å; R454-P464 CarbonylContact O-C 3.54Å; R454-P464 WeakPolarHBondContact O-CA 3.49Å |
| 465 | E | 91.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 3% | 0.033 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.2 | 174.5 | -75.5 | 63.9 | -145.6 | 0 | 0 | 111.4 | I452 C453 R454 F463 C474 P475 S478 | I452-E465 CarbonylContact C-O 3.6Å; I452-E465 WeakPolarHBondContact CA-O 2.96Å; C453-E465 PolarHBondContact N-O 3.2Å; C453-E465 PolarHBondContact SG-O 3.15Å; R454-E465 HydrophobicContact CB-CB 4.23Å; R454-E465 IonicContact CZ-OE2 3.64Å; R454-E465 PolarHBondContact N-O 3.36Å; R454-E465 IonicContact NE-OE2 2.71Å; R454-E465 PolarHBondContact NE-OE2 3.12Å; R454-E465 IonicContact NH2-OE1 2.74Å; R454-E465 PolarHBondContact NH2-OE1 3.14Å; R454-E465 IonicContact NH2-OE2 3.51Å; R454-E465 PolarHBondContact NH2-OE2 3.27Å; R454-E465 PolarHBondContact O-N 3.39Å; R454-E465 VanDerWaalsContact O-N 3.09Å; F463-E465 PolarHBondContact O-N 3.03Å; F463-E465 VanDerWaalsContact O-OE2 3.11Å; E465-C474 VanDerWaalsContact CB-SG 3.59Å; E465-P475 HydrophobicContact CB-CB 4.41Å; E465-P475 HydrophobicContact CB-CG 4.48Å; E465-P475 HydrophobicContact CG-CB 4.1Å; E465-S478 WeakPolarHBondContact OE1-CA 3.37Å; E465-S478 WeakPolarHBondContact OE1-CB 3.3Å; E465-S478 PolarHBondContact OE1-N 3.12Å; E465-S478 PolarHBondContact OE1-OG 2.89Å |
| 466 | R | 92.2 | Very high | 88.3 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | -175 | -64.3 | 175.2 | 179.9 | -82.3 | 1.4 | 110.1 | E450 T451 I452 P475 | E450-R466 HydrophobicContact CB-CB 4.45Å; E450-R466 WeakPolarHBondContact O-CD 3.37Å; E450-R466 WeakPolarHBondContact O-CG 3.42Å; E450-R466 PolarHBondContact O-NH1 2.65Å; T451-R466 CarbonylContact O-C 3.57Å; T451-R466 VanDerWaalsContact O-CA 3.31Å; T451-R466 WeakPolarHBondContact O-CA 3.3Å; I452-R466 HydrophobicContact CG1-CG 4.22Å; R466-P475 WeakPolarHBondContact O-CD 3.49Å; R466-P475 VanDerWaalsContact O-CG 3.26Å; R466-P475 WeakPolarHBondContact O-CG 3.1Å |
| 467 | C | 90.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | trans | -58.5 | 139.1 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | C440 I447 T451 | C440-C467 WeakPolarHBondContact CA-SG 3.49Å; C440-C467 HydrophobicContact CB-CB 3.51Å; C440-C467 WeakPolarHBondContact CB-SG 3.23Å; C440-C467 WeakPolarHBondContact SG-CA 3.34Å; C440-C467 WeakPolarHBondContact SG-CB 3.42Å; C440-C467 CovalentContact SG-SG 2.03Å; C440-C467 PolarHBondContact SG-SG 3.06Å; I447-C467 HydrophobicContact CB-CB 4.07Å; I447-C467 HydrophobicContact CG2-CB 4.31Å; I447-C467 VanDerWaalsContact O-CB 3.23Å; I447-C467 WeakPolarHBondContact O-CB 3Å; T451-C467 PolarHBondContact O-N 3.46Å; T451-C467 PolarHBondContact O-SG 2.01Å | ||
| 468 | S | 85.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -104.6 | 159.5 | 176.6 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | I470 | S468-I470 PolarHBondContact O-N 3.46Å; S468-I470 VanDerWaalsContact O-N 3.13Å; S468-I470 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 469 | A | 85.5 | Confident | 87.7 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 13.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F446 | F446-A469 VanDerWaalsContact CD2-O 3.23Å; F446-A469 WeakPolarHBondContact CD2-O 3.37Å |
| 470 | I | 87.1 | Confident | 87.7 | Confident | 144 Ų | 144 | 60.5 Ų | 60.5 | 74% | 0.738 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | -4.8 | -174.6 | 62.4 | 167.9 | 0 | 0 | 0 | 114 | F446 S468 | F446-I470 VanDerWaalsContact CZ-C 3.49Å; F446-I470 WeakPolarHBondContact CZ-O 3.44Å; S468-I470 PolarHBondContact O-N 3.46Å; S468-I470 VanDerWaalsContact O-N 3.13Å; S468-I470 WeakPolarHBondContact OG-CG1 3.38Å |
| 471 | S | 86.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 63 Ų | 63 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | trans | -145.9 | 138.3 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | F446 Q473 | F446-S471 VanDerWaalsContact CE1-CA 3.5Å; S471-Q473 PolarHBondContact OG-N 2.82Å; S471-Q473 VanDerWaalsContact OG-N 3.12Å | ||
| 472 | G | 87.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -77.7 | -11.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G438 C440 C441 F446 | G438-G472 CarbonylContact C-O 3.45Å; G438-G472 VanDerWaalsContact CA-O 3.23Å; G438-G472 WeakPolarHBondContact CA-O 3.06Å; C440-G472 CarbonylContact C-O 3.59Å; C440-G472 VanDerWaalsContact CA-O 3.3Å; C440-G472 WeakPolarHBondContact CA-O 3.26Å; C440-G472 VanDerWaalsContact CB-O 3.3Å; C440-G472 WeakPolarHBondContact CB-O 3.46Å; C440-G472 PolarHBondContact N-O 3.07Å; C441-G472 PolarHBondContact N-O 3.07Å; F446-G472 VanDerWaalsContact CD1-N 3.29Å |
| 473 | Q | 86.7 | Confident | 87.4 | Confident | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -92.8 | 150 | 176.9 | -60.5 | -62.6 | -3.8 | 0 | 0 | 111.6 | S471 | S471-Q473 PolarHBondContact OG-N 2.82Å; S471-Q473 VanDerWaalsContact OG-N 3.12Å |
| 474 | C | 83.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.6 | 168.4 | -159 | 0 | 0 | 0 | 0 | 109 | P439 C453 E465 | P439-C474 HydrophobicContact CG-CB 3.71Å; C453-C474 VanDerWaalsContact C-SG 3.59Å; C453-C474 HydrophobicContact CB-CB 3.73Å; C453-C474 WeakPolarHBondContact CB-SG 3.39Å; C453-C474 WeakPolarHBondContact SG-CA 3.36Å; C453-C474 WeakPolarHBondContact SG-CB 3.43Å; C453-C474 CovalentContact SG-SG 2.03Å; C453-C474 PolarHBondContact SG-SG 2.66Å; E465-C474 VanDerWaalsContact CB-SG 3.59Å |
| 475 | P | 85.5 | Confident | 87.8 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 159.3 | 170.4 | -25.7 | 34 | 0 | 0 | 0 | 112.5 | E465 R466 | E465-P475 HydrophobicContact CB-CB 4.41Å; E465-P475 HydrophobicContact CB-CG 4.48Å; E465-P475 HydrophobicContact CG-CB 4.1Å; R466-P475 WeakPolarHBondContact O-CD 3.49Å; R466-P475 VanDerWaalsContact O-CG 3.26Å; R466-P475 WeakPolarHBondContact O-CG 3.1Å |
| 476 | A | 83.2 | Confident | 88 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 74% | 0.736 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 144.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S478 | A476-S478 PolarHBondContact O-N 3.13Š|
| 477 | D | 79.4 | Confident | 87.9 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 122.1 | 177.9 | -168.3 | -19.9 | 0 | 0 | 0 | 110.1 | R454 | R454-D477 IonicContact CZ-OD1 3.12Å; R454-D477 IonicContact CZ-OD2 2.74Å; R454-D477 IonicContact NE-OD1 3.96Å; R454-D477 IonicContact NE-OD2 3.16Å; R454-D477 VanDerWaalsContact NH1-CG 3.25Å; R454-D477 IonicContact NH1-OD1 2.65Å; R454-D477 PolarHBondContact NH1-OD1 2.96Å; R454-D477 VanDerWaalsContact NH1-OD1 3.11Å; R454-D477 IonicContact NH1-OD2 3.56Å; R454-D477 PolarHBondContact NH1-OD2 3.11Å; R454-D477 IonicContact NH2-OD1 3.7Å; R454-D477 PolarHBondContact NH2-OD1 3.06Å |
| 478 | S | 86 | Confident | 87.7 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 40% | 0.399 | 41% | 0.405 | S | S | . | . | trans | -121.1 | 130.3 | -178.6 | 70.2 | 0 | 0 | 0 | 0 | 110 | F463 E465 A476 | F463-S478 WeakPolarHBondContact CB-O 3.38Å; F463-S478 PolarHBondContact N-O 3.4Å; F463-S478 VanDerWaalsContact N-O 3.16Å; E465-S478 WeakPolarHBondContact OE1-CA 3.37Å; E465-S478 WeakPolarHBondContact OE1-CB 3.3Å; E465-S478 PolarHBondContact OE1-N 3.12Å; E465-S478 PolarHBondContact OE1-OG 2.89Å; A476-S478 PolarHBondContact O-N 3.13Å | ||
| 479 | Y | 86.2 | Confident | 87.9 | Confident | 103 Ų | 103 | 67 Ų | 67 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -134.1 | 164.5 | -179.1 | 49.7 | -92.7 | 0 | 0 | 0 | 111.3 | C461 D482 G497 | C461-Y479 VanDerWaalsContact O-CB 3.27Å; C461-Y479 WeakPolarHBondContact O-CB 3.26Å; Y479-D482 WeakPolarHBondContact CE2-OD1 3.29Å; Y479-G497 VanDerWaalsContact CB-CA 3.44Å |
| 480 | K | 89.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -62 | 143.9 | 177.8 | -162.7 | 179 | -178.4 | -170.6 | 0 | 109.7 | E460 C461 F463 D482 P485 | E460-K480 VanDerWaalsContact O-CD 3.32Å; E460-K480 WeakPolarHBondContact O-CD 3.43Å; C461-K480 WeakPolarHBondContact O-CB 2.99Å; C461-K480 PolarHBondContact O-N 2.03Å; F463-K480 HydrophobicContact CE2-CB 4.44Å; F463-K480 HydrophobicContact CZ-CB 4.21Å; K480-D482 PolarHBondContact O-N 3.45Å; K480-P485 PolarHBondContact NZ-O 2.82Å |
| 481 | L | 91.6 | Very high | 88.2 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 74% | 0.738 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 131.9 | -178.3 | -174.6 | 74.3 | 0 | 0 | 0 | 111.4 | G483 S484 | L481-G483 PolarHBondContact O-N 3.21Å; L481-S484 VanDerWaalsContact O-CB 3.24Å; L481-S484 WeakPolarHBondContact O-CB 3.26Å; L481-S484 PolarHBondContact O-N 2.03Å; L481-S484 PolarHBondContact O-OG 3.43Å |
| 482 | D | 88.1 | Confident | 88.5 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 134.9 | 175.5 | -70.3 | -16.3 | 0 | 0 | 0 | 110.7 | Y479 K480 C494 Y495 A496 | Y479-D482 WeakPolarHBondContact CE2-OD1 3.29Å; K480-D482 PolarHBondContact O-N 3.45Å; D482-C494 CarbonylContact C-O 3.47Å; D482-C494 VanDerWaalsContact CA-O 3.29Å; D482-C494 WeakPolarHBondContact CA-O 3.32Å; D482-Y495 HydrophobicContact CB-CD2 4.21Å; D482-Y495 VanDerWaalsContact OD1-CA 3.31Å; D482-Y495 WeakPolarHBondContact OD1-CA 3.05Å; D482-A496 PolarHBondContact OD1-N 3.24Å |
| 483 | G | 89.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -0.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L481 Y493 C494 | L481-G483 PolarHBondContact O-N 3.21Å; G483-Y493 WeakPolarHBondContact O-CD1 3.21Å; G483-C494 PolarHBondContact N-O 2.74Å |
| 484 | S | 94.7 | Very high | 89 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | trans | -66.4 | 133.3 | 171.2 | -65.4 | 0 | 0 | 0 | 0 | 111 | L481 Y493 C494 | L481-S484 VanDerWaalsContact O-CB 3.24Å; L481-S484 WeakPolarHBondContact O-CB 3.26Å; L481-S484 PolarHBondContact O-N 2.03Å; L481-S484 PolarHBondContact O-OG 3.43Å; S484-Y493 CarbonylContact O-C 3.54Å; S484-Y493 WeakPolarHBondContact O-CA 3.34Å; S484-C494 PolarHBondContact O-N 2.67Å | ||
| 485 | P | 94.8 | Very high | 89.3 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.9 | 178.8 | 30 | -35.9 | 0 | 0 | 0 | 111 | K480 G492 | K480-P485 PolarHBondContact NZ-O 2.82Å; P485-G492 WeakPolarHBondContact CA-O 2.96Å |
| 486 | C | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 166.8 | -178.6 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | E460 C461 G492 Y493 C499 | E460-C486 HydrophobicContact CB-CB 4.18Å; E460-C486 VanDerWaalsContact OE2-CA 3.31Å; E460-C486 WeakPolarHBondContact OE2-CA 3.47Å; C461-C486 VanDerWaalsContact SG-SG 3.69Å; C486-G492 PolarHBondContact N-O 3.32Å; C486-G492 CarbonylContact O-C 3.22Å; C486-G492 WeakPolarHBondContact O-CA 3.25Å; C486-G492 PolarHBondContact O-N 3.11Å; C486-Y493 PolarHBondContact SG-N 2.7Å; C486-Y493 VanDerWaalsContact SG-N 3.4Å; C486-C499 VanDerWaalsContact C-SG 3.51Å; C486-C499 HydrophobicContact CB-CB 3.82Å; C486-C499 WeakPolarHBondContact CB-SG 3.38Å; C486-C499 WeakPolarHBondContact SG-CA 3.44Å; C486-C499 WeakPolarHBondContact SG-CB 3.27Å; C486-C499 CovalentContact SG-SG 2.03Å; C486-C499 PolarHBondContact SG-SG 3.4Å |
| 487 | G | 90.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 67 Ų | 67 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 87 | 158 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E460 D489 Q490 | E460-G487 WeakPolarHBondContact OE1-CA 3.23Å; E460-G487 PolarHBondContact OE1-N 3.25Å; E460-G487 PolarHBondContact OE2-N 3.35Å; G487-D489 PolarHBondContact O-N 3Å; G487-D489 VanDerWaalsContact O-N 3.16Å; G487-Q490 PolarHBondContact O-N 2.88Å; G487-Q490 PolarHBondContact O-NE2 2.88Å |
| 488 | S | 87.4 | Confident | 89.7 | Confident | 131 Ų | 131 | 68.7 Ų | 68.7 | 92% | 0.916 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.4 | -174.2 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 489 | D | 89.2 | Confident | 90 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 6.1 | 177.2 | 66.8 | -14.7 | 0 | 0 | 0 | 113.9 | G487 Q491 R501 | G487-D489 PolarHBondContact O-N 3Å; G487-D489 VanDerWaalsContact O-N 3.16Å; D489-Q491 HydrophobicContact CB-CG 4.45Å; D489-Q491 PolarHBondContact O-N 2.96Å; D489-Q491 VanDerWaalsContact O-N 3.14Å; D489-Q491 PolarHBondContact OD1-N 2.81Å; D489-Q491 WeakPolarHBondContact OD2-CG 3.27Å; D489-R501 IonicContact OD1-CZ 2.76Å; D489-R501 IonicContact OD1-NH1 3.64Å; D489-R501 PolarHBondContact OD1-NH1 3.43Å; D489-R501 IonicContact OD1-NH2 3.32Å; D489-R501 IonicContact OD2-CZ 2.89Å; D489-R501 IonicContact OD2-NH1 2.88Å; D489-R501 PolarHBondContact OD2-NH1 2.82Å; D489-R501 IonicContact OD2-NH2 3.47Å; D489-R501 PolarHBondContact OD2-NH2 3.32Å |
| 490 | Q | 88.4 | Confident | 90.3 | Very high | 100 Ų | 100 | 67.1 Ų | 67.1 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 57.1 | 24.6 | 179.5 | -57.7 | -71.9 | -70.2 | 0 | 0 | 114.1 | G487 | G487-Q490 PolarHBondContact O-N 2.88Å; G487-Q490 PolarHBondContact O-NE2 2.88Å |
| 491 | Q | 89.8 | Confident | 90.4 | Very high | 115 Ų | 115 | 67.1 Ų | 67.1 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | trans | -92.5 | -5.4 | 174.1 | -65 | -169.7 | 5.5 | 0 | 0 | 113.3 | D489 | D489-Q491 HydrophobicContact CB-CG 4.45Å; D489-Q491 PolarHBondContact O-N 2.96Å; D489-Q491 VanDerWaalsContact O-N 3.14Å; D489-Q491 PolarHBondContact OD1-N 2.81Å; D489-Q491 WeakPolarHBondContact OD2-CG 3.27Å | ||
| 492 | G | 92 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 157.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P485 C486 R500 | P485-G492 WeakPolarHBondContact CA-O 2.96Å; C486-G492 PolarHBondContact N-O 3.32Å; C486-G492 CarbonylContact O-C 3.22Å; C486-G492 WeakPolarHBondContact O-CA 3.25Å; C486-G492 PolarHBondContact O-N 3.11Å; G492-R500 CarbonylContact C-O 3.53Å; G492-R500 WeakPolarHBondContact CA-O 3.29Å |
| 493 | Y | 93 | Very high | 90.6 | Very high | 133 Ų | 133 | 60.8 Ų | 60.8 | 52% | 0.522 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.7 | 171.6 | -60.9 | -81.2 | 0 | 0 | 0 | 110.1 | G483 S484 C486 Y495 R500 | G483-Y493 WeakPolarHBondContact O-CD1 3.21Å; S484-Y493 CarbonylContact O-C 3.54Å; S484-Y493 WeakPolarHBondContact O-CA 3.34Å; C486-Y493 PolarHBondContact SG-N 2.7Å; C486-Y493 VanDerWaalsContact SG-N 3.4Å; Y493-Y495 PolarHBondContact O-N 3.47Å; Y493-R500 PolarHBondContact N-O 2.87Å; Y493-R500 WeakPolarHBondContact O-CB 3.31Å; Y493-R500 PolarHBondContact O-N 3.27Å |
| 494 | C | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.3 | 174 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | C461 D482 G483 S484 R498 | C461-C494 WeakPolarHBondContact CA-SG 3.23Å; C461-C494 HydrophobicContact CB-CB 3.65Å; C461-C494 WeakPolarHBondContact CB-SG 3.07Å; C461-C494 WeakPolarHBondContact SG-CA 2.97Å; C461-C494 WeakPolarHBondContact SG-CB 3.28Å; C461-C494 CovalentContact SG-SG 2.03Å; C461-C494 PolarHBondContact SG-SG 2.94Å; D482-C494 CarbonylContact C-O 3.47Å; D482-C494 VanDerWaalsContact CA-O 3.29Å; D482-C494 WeakPolarHBondContact CA-O 3.32Å; G483-C494 PolarHBondContact N-O 2.74Å; S484-C494 PolarHBondContact O-N 2.67Å; C494-R498 CarbonylContact C-O 3.49Å; C494-R498 WeakPolarHBondContact CA-O 3.47Å |
| 495 | Y | 89.7 | Confident | 90.5 | Very high | 143 Ų | 143 | 62.9 Ų | 62.9 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 120.9 | 170.9 | -179.2 | -104.6 | 0 | 0 | 0 | 109.5 | D482 Y493 G497 R498 | D482-Y495 HydrophobicContact CB-CD2 4.21Å; D482-Y495 VanDerWaalsContact OD1-CA 3.31Å; D482-Y495 WeakPolarHBondContact OD1-CA 3.05Å; Y493-Y495 PolarHBondContact O-N 3.47Å; Y495-G497 VanDerWaalsContact C-N 3.31Å; Y495-G497 PolarHBondContact O-N 2.67Å; Y495-R498 PolarHBondContact N-O 2.8Å; Y495-R498 PolarHBondContact O-N 3.5Å |
| 496 | A | 85.2 | Confident | 90.5 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 49.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D482 R498 | D482-A496 PolarHBondContact OD1-N 3.24Å; A496-R498 VanDerWaalsContact C-N 3.28Å; A496-R498 PolarHBondContact O-N 2.61Å |
| 497 | G | 84.8 | Confident | 90.5 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 10 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | D458 D462 Y479 Y495 | D458-G497 VanDerWaalsContact CB-O 3.22Å; D458-G497 WeakPolarHBondContact CB-O 3.31Å; D462-G497 WeakPolarHBondContact CB-O 3.37Å; Y479-G497 VanDerWaalsContact CB-CA 3.44Å; Y495-G497 VanDerWaalsContact C-N 3.31Å; Y495-G497 PolarHBondContact O-N 2.67Å |
| 498 | R | 87.7 | Confident | 90.5 | Very high | 119 Ų | 119 | 69 Ų | 69 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141 | 176.7 | -66.4 | -173.3 | 179.8 | 161.3 | 2.8 | 111.9 | C494 Y495 A496 R500 | C494-R498 CarbonylContact C-O 3.49Å; C494-R498 WeakPolarHBondContact CA-O 3.47Å; Y495-R498 PolarHBondContact N-O 2.8Å; Y495-R498 PolarHBondContact O-N 3.5Å; A496-R498 VanDerWaalsContact C-N 3.28Å; A496-R498 PolarHBondContact O-N 2.61Å; R498-R500 PolarHBondContact O-N 3.16Å; R498-R500 VanDerWaalsContact O-N 3.11Å |
| 499 | C | 91.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 105 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | D458 C461 C486 | D458-C499 WeakPolarHBondContact OD2-CB 3.32Å; D458-C499 PolarHBondContact OD2-N 2.94Å; C461-C499 VanDerWaalsContact SG-CA 3.52Å; C461-C499 PolarHBondContact SG-N 3.09Å; C461-C499 VanDerWaalsContact SG-N 3.41Å; C486-C499 VanDerWaalsContact C-SG 3.51Å; C486-C499 HydrophobicContact CB-CB 3.82Å; C486-C499 WeakPolarHBondContact CB-SG 3.38Å; C486-C499 WeakPolarHBondContact SG-CA 3.44Å; C486-C499 WeakPolarHBondContact SG-CB 3.27Å; C486-C499 CovalentContact SG-SG 2.03Å; C486-C499 PolarHBondContact SG-SG 3.4Å |
| 500 | R | 91.4 | Very high | 90.9 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.9 | 177.5 | -60.4 | -61.9 | 178.9 | 167.2 | 3.8 | 110 | G492 Y493 R498 | G492-R500 CarbonylContact C-O 3.53Å; G492-R500 WeakPolarHBondContact CA-O 3.29Å; Y493-R500 PolarHBondContact N-O 2.87Å; Y493-R500 WeakPolarHBondContact O-CB 3.31Å; Y493-R500 PolarHBondContact O-N 3.27Å; R498-R500 PolarHBondContact O-N 3.16Å; R498-R500 VanDerWaalsContact O-N 3.11Å |
| 501 | R | 91.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 25% | 0.249 | 27% | 0.271 | C | S | . | . | trans | -133.7 | 122.9 | 173.7 | -172.3 | -172.8 | -177.5 | 130.3 | 3.1 | 108.5 | D489 V503 T504 D505 | D489-R501 IonicContact OD1-CZ 2.76Å; D489-R501 IonicContact OD1-NH1 3.64Å; D489-R501 PolarHBondContact OD1-NH1 3.43Å; D489-R501 IonicContact OD1-NH2 3.32Å; D489-R501 IonicContact OD2-CZ 2.89Å; D489-R501 IonicContact OD2-NH1 2.88Å; D489-R501 PolarHBondContact OD2-NH1 2.82Å; D489-R501 IonicContact OD2-NH2 3.47Å; D489-R501 PolarHBondContact OD2-NH2 3.32Å; R501-V503 HydrophobicContact CG-CB 4.44Å; R501-V503 PolarHBondContact O-N 2.88Å; R501-T504 PolarHBondContact O-N 2.87Å; R501-D505 PolarHBondContact O-N 2.99Å | ||
| 502 | A | 91.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.2 | -40.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D505 C506 V516 L556 | A502-D505 PolarHBondContact O-N 3.32Å; A502-C506 WeakPolarHBondContact O-CB 3.24Å; A502-C506 PolarHBondContact O-N 3.42Å; A502-C506 PolarHBondContact O-SG 3.26Å; A502-V516 HydrophobicContact CB-CG1 4.5Å; A502-V516 HydrophobicContact CB-CG2 3.46Å; A502-V516 VanDerWaalsContact CB-CG2 3.46Å; A502-L556 HydrophobicContact CB-CD1 3.86Å |
| 503 | V | 93.4 | Very high | 91.3 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | R501 D505 C506 Q507 V516 | R501-V503 HydrophobicContact CG-CB 4.44Å; R501-V503 PolarHBondContact O-N 2.88Å; V503-D505 VanDerWaalsContact C-N 3.33Å; V503-D505 PolarHBondContact O-N 3.03Å; V503-C506 WeakPolarHBondContact O-CB 3.47Å; V503-C506 PolarHBondContact O-N 2.73Å; V503-Q507 HydrophobicContact CG1-CG 4.4Å; V503-Q507 WeakPolarHBondContact O-CB 3.3Å; V503-Q507 VanDerWaalsContact O-CG 3.29Å; V503-Q507 WeakPolarHBondContact O-CG 3.49Å; V503-Q507 PolarHBondContact O-N 3.44Å; V503-V516 HydrophobicContact CG2-CG2 3.79Å |
| 504 | T | 91.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | -179.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | R501 Q507 K508 | R501-T504 PolarHBondContact O-N 2.87Å; T504-Q507 PolarHBondContact O-N 2.89Å; T504-K508 WeakPolarHBondContact O-CB 3.1Å; T504-K508 PolarHBondContact O-N 3.37Å |
| 505 | D | 90.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 21% | 0.214 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 175.6 | -70.3 | -36.8 | 0 | 0 | 0 | 110.9 | R501 A502 V503 K508 I509 L556 | R501-D505 PolarHBondContact O-N 2.99Å; A502-D505 PolarHBondContact O-N 3.32Å; V503-D505 VanDerWaalsContact C-N 3.33Å; V503-D505 PolarHBondContact O-N 3.03Å; D505-K508 PolarHBondContact O-N 3.28Å; D505-I509 WeakPolarHBondContact O-CD1 3.24Å; D505-I509 VanDerWaalsContact O-CG1 3.31Å; D505-I509 WeakPolarHBondContact O-CG1 3.44Å; D505-I509 PolarHBondContact O-N 3.42Å; D505-L556 HydrophobicContact CB-CD2 3.6Å |
| 506 | C | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 170.7 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | A502 V503 K508 I509 W510 S514 T515 C558 | A502-C506 WeakPolarHBondContact O-CB 3.24Å; A502-C506 PolarHBondContact O-N 3.42Å; A502-C506 PolarHBondContact O-SG 3.26Å; V503-C506 WeakPolarHBondContact O-CB 3.47Å; V503-C506 PolarHBondContact O-N 2.73Å; C506-K508 PolarHBondContact O-N 3.16Å; C506-I509 PolarHBondContact O-N 2.91Å; C506-W510 PolarHBondContact O-N 2.89Å; C506-S514 PolarHBondContact O-OG 3.34Å; C506-T515 PolarHBondContact SG-O 2.89Å; C506-C558 WeakPolarHBondContact CA-SG 3.49Å; C506-C558 HydrophobicContact CB-CB 3.71Å; C506-C558 WeakPolarHBondContact CB-SG 2.97Å; C506-C558 VanDerWaalsContact SG-CA 3.56Å; C506-C558 WeakPolarHBondContact SG-CB 3.03Å; C506-C558 CovalentContact SG-SG 2.03Å; C506-C558 PolarHBondContact SG-SG 2.94Å |
| 507 | Q | 94.7 | Very high | 92.4 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -32.8 | -179.8 | -73.5 | 174.5 | -15 | 0 | 0 | 113.4 | V503 T504 G511 P512 S514 | V503-Q507 HydrophobicContact CG1-CG 4.4Å; V503-Q507 WeakPolarHBondContact O-CB 3.3Å; V503-Q507 VanDerWaalsContact O-CG 3.29Å; V503-Q507 WeakPolarHBondContact O-CG 3.49Å; V503-Q507 PolarHBondContact O-N 3.44Å; T504-Q507 PolarHBondContact O-N 2.89Å; Q507-G511 VanDerWaalsContact CA-O 3.29Å; Q507-G511 WeakPolarHBondContact CA-O 3.45Å; Q507-G511 CarbonylContact O-C 3.42Å; Q507-G511 WeakPolarHBondContact O-CA 3.29Å; Q507-G511 PolarHBondContact O-N 2.89Å; Q507-P512 PolarHBondContact NE2-O 3.32Å; Q507-S514 VanDerWaalsContact CA-OG 3.22Å; Q507-S514 WeakPolarHBondContact CA-OG 3.21Å; Q507-S514 VanDerWaalsContact CG-O 3.28Å; Q507-S514 WeakPolarHBondContact CG-O 3.36Å; Q507-S514 PolarHBondContact N-OG 2.91Å |
| 508 | K | 90.3 | Very high | 92.9 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 175.2 | -168.1 | -178.2 | 176.7 | -179.3 | 0 | 111.7 | T504 D505 C506 F567 | T504-K508 WeakPolarHBondContact O-CB 3.1Å; T504-K508 PolarHBondContact O-N 3.37Å; D505-K508 PolarHBondContact O-N 3.28Å; C506-K508 PolarHBondContact O-N 3.16Å; K508-F567 HydrophobicContact CG-CE2 4.05Å; K508-F567 HydrophobicContact CG-CZ 4.32Å; K508-F567 WeakPolarHBondContact O-CE2 3.03Å |
| 509 | I | 90.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -81.6 | -50 | -177.3 | -60.9 | 159.5 | 0 | 0 | 0 | 111 | D505 C506 P565 S566 F567 Y570 | D505-I509 WeakPolarHBondContact O-CD1 3.24Å; D505-I509 VanDerWaalsContact O-CG1 3.31Å; D505-I509 WeakPolarHBondContact O-CG1 3.44Å; D505-I509 PolarHBondContact O-N 3.42Å; C506-I509 PolarHBondContact O-N 2.91Å; I509-P565 HydrophobicContact CG2-CB 4.05Å; I509-S566 PolarHBondContact O-N 2.74Å; I509-S566 PolarHBondContact O-OG 3.14Å; I509-F567 HydrophobicContact CG1-CD2 4.36Å; I509-Y570 HydrophobicContact CD1-CD1 4Å; I509-Y570 HydrophobicContact CD1-CE1 3.48Å; I509-Y570 VanDerWaalsContact CD1-CE1 3.48Å; I509-Y570 HydrophobicContact CG1-CD1 4.44Å; I509-Y570 HydrophobicContact CG1-CE1 4.07Å; I509-Y570 HydrophobicContact CG1-CE2 4.46Å; I509-Y570 HydrophobicContact CG2-CD1 3.74Å; I509-Y570 HydrophobicContact CG2-CD2 3.95Å; I509-Y570 HydrophobicContact CG2-CE1 4.21Å; I509-Y570 HydrophobicContact CG2-CE2 4.4Å; I509-Y570 HydrophobicContact CG2-CG 3.58Å |
| 510 | W | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -109.5 | 7.6 | -168.8 | -62.1 | 107.9 | 0 | 0 | 0 | 113.4 | C506 C558 G561 T562 P565 K585 | C506-W510 PolarHBondContact O-N 2.89Å; W510-C558 HydrophobicContact CG-CB 4.5Å; W510-G561 CarbonylContact O-C 3.59Å; W510-G561 WeakPolarHBondContact O-CA 2.88Å; W510-T562 PolarHBondContact O-N 3.47Å; W510-T562 PolarHBondContact O-OG1 3.32Å; W510-T562 VanDerWaalsContact O-OG1 3.12Å; W510-P565 HydrophobicContact CD2-CB 4.36Å; W510-P565 HydrophobicContact CE3-CB 4.05Å; W510-P565 HydrophobicContact CH2-CB 3.77Å; W510-P565 HydrophobicContact CH2-CG 3.93Å; W510-P565 HydrophobicContact CZ2-CB 4.03Å; W510-P565 HydrophobicContact CZ3-CB 3.78Å; W510-P565 HydrophobicContact CZ3-CG 4.11Å; W510-K585 HydrophobicContact CD2-CB 3.97Å; W510-K585 HydrophobicContact CD2-CD 3.66Å; W510-K585 HydrophobicContact CD2-CG 4.46Å; W510-K585 VanDerWaalsContact CE2-CB 3.42Å; W510-K585 HydrophobicContact CE3-CD 3.68Å; W510-K585 HydrophobicContact CG-CB 4.41Å; W510-K585 HydrophobicContact CG-CD 4.12Å; W510-K585 HydrophobicContact CH2-CB 4.19Å; W510-K585 HydrophobicContact CH2-CD 4.31Å; W510-K585 HydrophobicContact CZ2-CB 3.58Å; W510-K585 HydrophobicContact CZ2-CD 4.34Å; W510-K585 HydrophobicContact CZ2-CG 4.39Å; W510-K585 WeakPolarHBondContact CZ2-OXT 3.25Å; W510-K585 HydrophobicContact CZ3-CD 3.98Å; W510-K585 PolarHBondContact NE1-OXT 3.21Å |
| 511 | G | 92.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | trans | 85.5 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q507 E513 S514 | Q507-G511 VanDerWaalsContact CA-O 3.29Å; Q507-G511 WeakPolarHBondContact CA-O 3.45Å; Q507-G511 CarbonylContact O-C 3.42Å; Q507-G511 WeakPolarHBondContact O-CA 3.29Å; Q507-G511 PolarHBondContact O-N 2.89Å; G511-E513 PolarHBondContact O-N 2.77Å; G511-E513 VanDerWaalsContact O-N 3.08Å; G511-S514 WeakPolarHBondContact O-CB 3.34Å; G511-S514 PolarHBondContact O-N 3.38Å; G511-S514 PolarHBondContact O-OG 2.69Å | ||
| 512 | P | 92.9 | Very high | 93.8 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.3 | -165.1 | 23.5 | -34.5 | 0 | 0 | 0 | 115 | Q507 S514 | Q507-P512 PolarHBondContact NE2-O 3.32Å; P512-S514 VanDerWaalsContact C-N 3.28Å; P512-S514 PolarHBondContact O-N 3.2Å |
| 513 | E | 93.9 | Very high | 94 | Very high | 170 Ų | 170 | 50.7 Ų | 50.7 | 79% | 0.794 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 5 | 178.5 | -62 | -173.5 | 170.1 | 0 | 0 | 113.9 | G511 G561 | G511-E513 PolarHBondContact O-N 2.77Å; G511-E513 VanDerWaalsContact O-N 3.08Å; E513-G561 PolarHBondContact O-N 2.03Å |
| 514 | S | 95.1 | Very high | 94 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 157.5 | 175 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | C506 Q507 G511 P512 K559 | C506-S514 PolarHBondContact O-OG 3.34Å; Q507-S514 VanDerWaalsContact CA-OG 3.22Å; Q507-S514 WeakPolarHBondContact CA-OG 3.21Å; Q507-S514 VanDerWaalsContact CG-O 3.28Å; Q507-S514 WeakPolarHBondContact CG-O 3.36Å; Q507-S514 PolarHBondContact N-OG 2.91Å; G511-S514 WeakPolarHBondContact O-CB 3.34Å; G511-S514 PolarHBondContact O-N 3.38Å; G511-S514 PolarHBondContact O-OG 2.69Å; P512-S514 VanDerWaalsContact C-N 3.28Å; P512-S514 PolarHBondContact O-N 3.2Å; S514-K559 CarbonylContact C-O 3.58Å; S514-K559 VanDerWaalsContact CA-O 3.25Å; S514-K559 WeakPolarHBondContact CA-O 3.48Å; S514-K559 WeakPolarHBondContact CB-O 3.45Å |
| 515 | T | 95.8 | Very high | 94.2 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 179.1 | 176 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | C506 C558 K559 | C506-T515 PolarHBondContact SG-O 2.89Å; T515-C558 CarbonylContact O-C 3.43Å; T515-C558 VanDerWaalsContact O-CA 3.31Å; T515-C558 WeakPolarHBondContact O-CA 3.48Å; T515-K559 HydrophobicContact CG2-CD 4.46Å; T515-K559 HydrophobicContact CG2-CG 3.83Å; T515-K559 PolarHBondContact N-O 2.85Å; T515-K559 PolarHBondContact O-N 2.77Å |
| 516 | V | 95.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 135.7 | 177.5 | -169.6 | 0 | 0 | 0 | 0 | 110 | A502 V503 F522 K559 | A502-V516 HydrophobicContact CB-CG1 4.5Å; A502-V516 HydrophobicContact CB-CG2 3.46Å; A502-V516 VanDerWaalsContact CB-CG2 3.46Å; V503-V516 HydrophobicContact CG2-CG2 3.79Å; V516-F522 HydrophobicContact CG1-CE2 3.93Å; V516-F522 HydrophobicContact CG1-CZ 3.73Å; V516-K559 VanDerWaalsContact O-CE 3.32Å; V516-K559 WeakPolarHBondContact O-CE 3.06Å |
| 517 | A | 95.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C521 F522 F557 | A517-C521 HydrophobicContact CB-CB 4Å; A517-F522 HydrophobicContact CB-CE2 4.17Å; A517-F557 VanDerWaalsContact CB-C 3.48Å; A517-F557 HydrophobicContact CB-CB 3.64Å; A517-F557 WeakPolarHBondContact CB-O 3.31Å; A517-F557 PolarHBondContact N-O 3.28Å |
| 518 | D | 95.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.8 | 171.5 | -68.3 | -90.1 | 0 | 0 | 0 | 111.1 | A520 C521 K559 F582 | D518-A520 PolarHBondContact O-N 3.05Å; D518-C521 WeakPolarHBondContact O-CB 3.33Å; D518-C521 PolarHBondContact O-N 3.33Å; D518-K559 IonicContact OD1-NZ 3.76Å; D518-K559 IonicContact OD2-NZ 2.77Å; D518-K559 PolarHBondContact OD2-NZ 2.85Å; D518-F582 HydrophobicContact CB-CD1 3.89Å; D518-F582 HydrophobicContact CB-CE1 4.06Å |
| 519 | D | 94.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.2 | -26.1 | 178.8 | -70.7 | 1.5 | 0 | 0 | 0 | 113.4 | C521 F522 R523 Y551 | D519-C521 VanDerWaalsContact C-N 3.28Å; D519-C521 PolarHBondContact O-N 2.82Å; D519-F522 PolarHBondContact O-N 2.84Å; D519-R523 WeakPolarHBondContact O-CB 3.49Å; D519-R523 PolarHBondContact O-N 3.41Å; D519-Y551 HydrophobicContact CB-CE2 4.21Å |
| 520 | A | 95 | Very high | 94.8 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D518 K524 F575 F582 | D518-A520 PolarHBondContact O-N 3.05Å; A520-K524 WeakPolarHBondContact O-CB 3.37Å; A520-K524 PolarHBondContact O-N 2.03Å; A520-F575 HydrophobicContact CB-CZ 3.96Å; A520-F582 HydrophobicContact CB-CD1 3.85Å; A520-F582 HydrophobicContact CB-CD2 4.46Å; A520-F582 HydrophobicContact CB-CE1 3.77Å; A520-F582 HydrophobicContact CB-CE2 4.41Å; A520-F582 HydrophobicContact CB-CG 4.19Å; A520-F582 HydrophobicContact CB-CZ 4.06Å |
| 521 | C | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 175.9 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | A517 D518 D519 K524 F525 F557 E583 C584 | A517-C521 HydrophobicContact CB-CB 4Å; D518-C521 WeakPolarHBondContact O-CB 3.33Å; D518-C521 PolarHBondContact O-N 3.33Å; D519-C521 VanDerWaalsContact C-N 3.28Å; D519-C521 PolarHBondContact O-N 2.82Å; C521-K524 PolarHBondContact O-N 3.41Å; C521-F525 VanDerWaalsContact O-CD2 3.29Å; C521-F525 WeakPolarHBondContact O-CD2 3.35Å; C521-F525 PolarHBondContact O-N 2.94Å; C521-F557 HydrophobicContact CB-CB 3.81Å; C521-F557 HydrophobicContact CB-CD1 4.38Å; C521-F557 HydrophobicContact CB-CD2 4.23Å; C521-F557 HydrophobicContact CB-CG 3.88Å; C521-E583 PolarHBondContact SG-O 3.34Å; C521-E583 VanDerWaalsContact SG-O 3.4Å; C521-C584 VanDerWaalsContact CA-SG 3.57Å; C521-C584 HydrophobicContact CB-CB 3.66Å; C521-C584 WeakPolarHBondContact CB-SG 3.42Å; C521-C584 VanDerWaalsContact SG-CA 3.53Å; C521-C584 WeakPolarHBondContact SG-CB 3.2Å; C521-C584 CovalentContact SG-SG 2.03Å; C521-C584 PolarHBondContact SG-SG 2.8Å |
| 522 | F | 96.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -51 | 179.2 | -61.9 | -96.6 | 0 | 0 | 0 | 110.9 | V516 A517 D519 K524 F525 N526 Y551 L552 L555 L556 F557 | V516-F522 HydrophobicContact CG1-CE2 3.93Å; V516-F522 HydrophobicContact CG1-CZ 3.73Å; A517-F522 HydrophobicContact CB-CE2 4.17Å; D519-F522 PolarHBondContact O-N 2.84Å; F522-K524 VanDerWaalsContact C-N 3.3Å; F522-K524 PolarHBondContact O-N 3.11Å; F522-F525 PolarHBondContact O-N 2.82Å; F522-N526 WeakPolarHBondContact O-CB 3.31Å; F522-N526 PolarHBondContact O-N 2.9Å; F522-Y551 HydrophobicContact CB-CD2 3.64Å; F522-Y551 HydrophobicContact CB-CE2 4.14Å; F522-L552 HydrophobicContact CB-CD2 3.95Å; F522-L552 HydrophobicContact CD1-CD2 4.07Å; F522-L552 HydrophobicContact CD2-CD2 4.19Å; F522-L552 HydrophobicContact CG-CD2 3.82Å; F522-L555 WeakPolarHBondContact CD1-O 3.39Å; F522-L556 HydrophobicContact CE1-CD1 4.37Å; F522-L556 HydrophobicContact CZ-CD1 4.21Å; F522-F557 HydrophobicContact CB-CD2 4.44Å; F522-F557 AromaticContact CD1-CD2 3.81Å; F522-F557 HydrophobicContact CD1-CD2 3.81Å; F522-F557 HydrophobicContact CD2-CB 4.36Å; F522-F557 HydrophobicContact CD2-CD2 4.4Å; F522-F557 HydrophobicContact CE1-CB 4.27Å; F522-F557 HydrophobicContact CE1-CD2 4.12Å; F522-F557 HydrophobicContact CE2-CB 3.96Å; F522-F557 AromaticContact CG-CD2 3.96Å; F522-F557 HydrophobicContact CG-CD2 3.96Å; F522-F557 HydrophobicContact CZ-CB 3.9Å; F522-F557 WeakPolarHBondContact CZ-O 3.29Å |
| 523 | R | 95.5 | Very high | 94.2 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | -179 | -173.3 | -177.6 | -62.8 | -83.6 | -3.5 | 111.8 | D519 T527 Y551 | D519-R523 WeakPolarHBondContact O-CB 3.49Å; D519-R523 PolarHBondContact O-N 3.41Å; R523-T527 VanDerWaalsContact O-CG2 3.27Å; R523-T527 WeakPolarHBondContact O-CG2 3.38Å; R523-T527 PolarHBondContact O-OG1 2.86Å; R523-Y551 HydrophobicContact CB-CD2 3.85Å; R523-Y551 HydrophobicContact CB-CE2 4.17Å; R523-Y551 HydrophobicContact CB-CG 4.28Å; R523-Y551 PolarHBondContact NH2-OH 2.96Å |
| 524 | K | 94.4 | Very high | 94.3 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71 | -43.3 | -177.5 | -174.2 | 64.6 | 169.9 | -165.8 | 0 | 112.7 | A520 C521 F522 L528 F575 | A520-K524 WeakPolarHBondContact O-CB 3.37Å; A520-K524 PolarHBondContact O-N 2.03Å; C521-K524 PolarHBondContact O-N 3.41Å; F522-K524 VanDerWaalsContact C-N 3.3Å; F522-K524 PolarHBondContact O-N 3.11Å; K524-L528 WeakPolarHBondContact O-CD1 3.47Å; K524-L528 VanDerWaalsContact O-CG 3.26Å; K524-L528 WeakPolarHBondContact O-CG 3.4Å; K524-F575 HydrophobicContact CB-CE1 4.08Å; K524-F575 HydrophobicContact CB-CZ 4Å; K524-F575 HydrophobicContact CG-CD1 4.45Å; K524-F575 HydrophobicContact CG-CE1 4.2Å; K524-F575 HydrophobicContact CG-CE2 4.49Å; K524-F575 HydrophobicContact CG-CZ 4.21Å |
| 525 | F | 95 | Very high | 94.3 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.088 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -97.8 | -43.9 | -171.2 | -67.5 | -63.5 | 0 | 0 | 0 | 113.1 | C521 F522 T527 L528 F532 G533 F557 T573 F575 C584 | C521-F525 VanDerWaalsContact O-CD2 3.29Å; C521-F525 WeakPolarHBondContact O-CD2 3.35Å; C521-F525 PolarHBondContact O-N 2.94Å; F522-F525 PolarHBondContact O-N 2.82Å; F525-T527 PolarHBondContact O-N 2.9Å; F525-L528 HydrophobicContact CD1-CD1 4.21Å; F525-L528 WeakPolarHBondContact O-CB 3.16Å; F525-L528 PolarHBondContact O-N 2.8Å; F525-F532 HydrophobicContact CD1-CD2 4.15Å; F525-F532 AromaticContact CD1-CE2 3.65Å; F525-F532 HydrophobicContact CD1-CE2 3.65Å; F525-F532 AromaticContact CE1-CE2 3.83Å; F525-F532 HydrophobicContact CE1-CE2 3.83Å; F525-G533 CarbonylContact O-C 3.58Å; F525-G533 WeakPolarHBondContact O-CA 3.38Å; F525-G533 VanDerWaalsContact O-O 3.08Å; F525-F557 HydrophobicContact CB-CE1 4.23Å; F525-F557 HydrophobicContact CB-CE2 3.93Å; F525-F557 HydrophobicContact CB-CZ 3.41Å; F525-F557 VanDerWaalsContact CB-CZ 3.41Å; F525-F557 AromaticContact CD2-CE1 3.91Å; F525-F557 HydrophobicContact CD2-CE1 3.91Å; F525-F557 AromaticContact CD2-CZ 3.9Å; F525-F557 HydrophobicContact CD2-CZ 3.9Å; F525-F557 HydrophobicContact CG-CE1 4.32Å; F525-F557 AromaticContact CG-CZ 3.97Å; F525-F557 HydrophobicContact CG-CZ 3.97Å; F525-T573 HydrophobicContact CE1-CG2 4.47Å; F525-T573 HydrophobicContact CE2-CG2 3.74Å; F525-T573 HydrophobicContact CZ-CG2 3.7Å; F525-F575 AromaticContact CE2-CD1 3.87Å; F525-F575 HydrophobicContact CE2-CD1 3.87Å; F525-F575 HydrophobicContact CE2-CE1 4.07Å; F525-F575 HydrophobicContact CZ-CD1 4.08Å; F525-C584 HydrophobicContact CD2-CB 4.37Å; F525-C584 HydrophobicContact CE2-CB 3.95Å |
| 526 | N | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -23.2 | -175.4 | -74.2 | -25.6 | 0 | 0 | 0 | 113.4 | F522 L528 G533 H534 C546 Y551 G554 L555 | F522-N526 WeakPolarHBondContact O-CB 3.31Å; F522-N526 PolarHBondContact O-N 2.9Å; N526-L528 VanDerWaalsContact C-N 3.31Å; N526-G533 WeakPolarHBondContact OD1-CA 3.04Å; N526-H534 PolarHBondContact OD1-N 2.03Å; N526-C546 HydrophobicContact CB-CB 4.28Å; N526-C546 VanDerWaalsContact O-CB 3.29Å; N526-C546 WeakPolarHBondContact O-CB 3.44Å; N526-C546 PolarHBondContact O-N 3.26Å; N526-C546 PolarHBondContact O-SG 2.87Å; N526-C546 VanDerWaalsContact O-SG 3.36Å; N526-Y551 WeakPolarHBondContact CB-O 3.22Å; N526-Y551 PolarHBondContact ND2-O 3.42Å; N526-G554 WeakPolarHBondContact ND2-CA 3.38Å; N526-L555 PolarHBondContact ND2-N 3.18Å; N526-L555 PolarHBondContact ND2-O 2.03Å; N526-L555 PolarHBondContact OD1-N 2.79Å |
| 527 | T | 96.7 | Very high | 94 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -5.4 | 176.2 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | R523 F525 A545 | R523-T527 VanDerWaalsContact O-CG2 3.27Å; R523-T527 WeakPolarHBondContact O-CG2 3.38Å; R523-T527 PolarHBondContact O-OG1 2.86Å; F525-T527 PolarHBondContact O-N 2.9Å; T527-A545 WeakPolarHBondContact O-CB 3.01Å |
| 528 | L | 94.7 | Very high | 93.8 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -28.9 | -178.7 | -62.1 | 175.9 | 0 | 0 | 0 | 113.1 | K524 F525 N526 I530 | K524-L528 WeakPolarHBondContact O-CD1 3.47Å; K524-L528 VanDerWaalsContact O-CG 3.26Å; K524-L528 WeakPolarHBondContact O-CG 3.4Å; F525-L528 HydrophobicContact CD1-CD1 4.21Å; F525-L528 WeakPolarHBondContact O-CB 3.16Å; F525-L528 PolarHBondContact O-N 2.8Å; N526-L528 VanDerWaalsContact C-N 3.31Å; L528-I530 HydrophobicContact CB-CD1 3.99Å; L528-I530 HydrophobicContact CB-CG1 4.03Å; L528-I530 HydrophobicContact CB-CG2 4.13Å; L528-I530 HydrophobicContact CD1-CD1 3.66Å; L528-I530 HydrophobicContact CG-CD1 4.48Å |
| 529 | G | 93 | Very high | 93.6 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | 67.6 | 52 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G533 | G529-G533 WeakPolarHBondContact CA-O 3.29Å; G529-G533 PolarHBondContact N-O 3.18Å; G529-G533 VanDerWaalsContact N-O 3.12Å | ||
| 530 | I | 91.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -123.2 | 167.3 | 178.2 | 61 | -176.2 | 0 | 0 | 0 | 110.3 | L528 F532 G533 H534 | L528-I530 HydrophobicContact CB-CD1 3.99Å; L528-I530 HydrophobicContact CB-CG1 4.03Å; L528-I530 HydrophobicContact CB-CG2 4.13Å; L528-I530 HydrophobicContact CD1-CD1 3.66Å; L528-I530 HydrophobicContact CG-CD1 4.48Å; I530-F532 HydrophobicContact CD1-CD1 4.27Å; I530-F532 HydrophobicContact CD1-CD2 4.04Å; I530-F532 HydrophobicContact CD1-CE1 3.74Å; I530-F532 HydrophobicContact CD1-CE2 3.48Å; I530-F532 VanDerWaalsContact CD1-CE2 3.48Å; I530-F532 HydrophobicContact CD1-CG 4.41Å; I530-F532 HydrophobicContact CD1-CZ 3.32Å; I530-F532 HydrophobicContact CG1-CD1 4.38Å; I530-F532 HydrophobicContact CG1-CD2 4.41Å; I530-F532 HydrophobicContact CG1-CE1 4.28Å; I530-F532 HydrophobicContact CG1-CE2 4.32Å; I530-F532 HydrophobicContact CG1-CG 4.45Å; I530-F532 HydrophobicContact CG1-CZ 4.26Å; I530-F532 PolarHBondContact O-N 2.89Å; I530-G533 PolarHBondContact N-O 3.4Å; I530-G533 CarbonylContact O-C 3.53Å; I530-G533 PolarHBondContact O-N 3.35Å; I530-H534 PolarHBondContact O-CD2 3.04Å |
| 531 | D | 88.1 | Confident | 93.2 | Very high | 135 Ų | 135 | 66.2 Ų | 66.2 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.3 | -171.9 | -66 | -22.2 | 0 | 0 | 0 | 115 | P543 | D531-P543 VanDerWaalsContact OD1-CG 3.3Å; D531-P543 WeakPolarHBondContact OD1-CG 3.38Å |
| 532 | F | 88.3 | Confident | 93.2 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 19.4 | 179.1 | 59.5 | -92.9 | 0 | 0 | 0 | 113.4 | F525 I530 L555 F557 F571 | F525-F532 HydrophobicContact CD1-CD2 4.15Å; F525-F532 AromaticContact CD1-CE2 3.65Å; F525-F532 HydrophobicContact CD1-CE2 3.65Å; F525-F532 AromaticContact CE1-CE2 3.83Å; F525-F532 HydrophobicContact CE1-CE2 3.83Å; I530-F532 HydrophobicContact CD1-CD1 4.27Å; I530-F532 HydrophobicContact CD1-CD2 4.04Å; I530-F532 HydrophobicContact CD1-CE1 3.74Å; I530-F532 HydrophobicContact CD1-CE2 3.48Å; I530-F532 VanDerWaalsContact CD1-CE2 3.48Å; I530-F532 HydrophobicContact CD1-CG 4.41Å; I530-F532 HydrophobicContact CD1-CZ 3.32Å; I530-F532 HydrophobicContact CG1-CD1 4.38Å; I530-F532 HydrophobicContact CG1-CD2 4.41Å; I530-F532 HydrophobicContact CG1-CE1 4.28Å; I530-F532 HydrophobicContact CG1-CE2 4.32Å; I530-F532 HydrophobicContact CG1-CG 4.45Å; I530-F532 HydrophobicContact CG1-CZ 4.26Å; I530-F532 PolarHBondContact O-N 2.89Å; F532-L555 VanDerWaalsContact C-CD1 3.48Å; F532-F557 WeakPolarHBondContact O-CZ 3.03Å; F532-F571 HydrophobicContact CB-CE1 3.66Å; F532-F571 HydrophobicContact CB-CZ 3.44Å; F532-F571 VanDerWaalsContact CB-CZ 3.44Å; F532-F571 HydrophobicContact CD1-CZ 4.07Å; F532-F571 AromaticContact CD2-CZ 3.93Å; F532-F571 HydrophobicContact CD2-CZ 3.93Å; F532-F571 HydrophobicContact CG-CE1 4.26Å; F532-F571 AromaticContact CG-CZ 3.57Å; F532-F571 HydrophobicContact CG-CZ 3.57Å |
| 533 | G | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -168.4 | 98.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F525 N526 G529 I530 | F525-G533 CarbonylContact O-C 3.58Å; F525-G533 WeakPolarHBondContact O-CA 3.38Å; F525-G533 VanDerWaalsContact O-O 3.08Å; N526-G533 WeakPolarHBondContact OD1-CA 3.04Å; G529-G533 WeakPolarHBondContact CA-O 3.29Å; G529-G533 PolarHBondContact N-O 3.18Å; G529-G533 VanDerWaalsContact N-O 3.12Å; I530-G533 PolarHBondContact N-O 3.4Å; I530-G533 CarbonylContact O-C 3.53Å; I530-G533 PolarHBondContact O-N 3.35Å |
| 534 | H | 95.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | trans | -164.8 | 163.3 | -175.4 | 64.5 | 97.3 | 0 | 0 | 0 | 112.7 | N526 I530 G536 P543 I544 G554 L555 | N526-H534 PolarHBondContact OD1-N 2.03Å; I530-H534 PolarHBondContact O-CD2 3.04Å; H534-G536 VanDerWaalsContact ND1-CA 3.33Å; H534-G536 WeakPolarHBondContact ND1-CA 3.39Å; H534-G536 PolarHBondContact ND1-N 2.88Å; H534-G536 PolarHBondContact ND1-O 2.88Å; H534-G536 PolarHBondContact O-N 3.1Å; H534-P543 HydrophobicContact CB-CB 3.61Å; H534-I544 CarbonylContact C-O 3.54Å; H534-I544 WeakPolarHBondContact CA-O 3.16Å; H534-I544 VanDerWaalsContact CB-O 3.31Å; H534-I544 WeakPolarHBondContact CB-O 3.48Å; H534-G554 WeakPolarHBondContact O-CA 3.36Å; H534-L555 PolarHBondContact O-N 3.4Å | ||
| 535 | C | 94.8 | Very high | 93.3 | Very high | 43 Ų | 43 | 69.7 Ų | 69.7 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -96.9 | 43.5 | 175.4 | -91.9 | 0 | 0 | 0 | 0 | 112.2 | I544 C546 D550 | C535-I544 PolarHBondContact N-O 2.77Å; C535-C546 WeakPolarHBondContact CA-SG 3.32Å; C535-C546 HydrophobicContact CB-CB 3.97Å; C535-C546 WeakPolarHBondContact CB-SG 3.41Å; C535-C546 PolarHBondContact N-SG 2.92Å; C535-C546 WeakPolarHBondContact SG-CA 3.07Å; C535-C546 WeakPolarHBondContact SG-CB 3.38Å; C535-C546 CovalentContact SG-SG 2.01Å; C535-C546 PolarHBondContact SG-SG 3.33Å; C535-D550 PolarHBondContact SG-O 2.96Å |
| 536 | G | 92.2 | Very high | 93.4 | Very high | 32 Ų | 32 | 69.2 Ų | 69.2 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | trans | 94.1 | -171.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H534 I544 | H534-G536 VanDerWaalsContact ND1-CA 3.33Å; H534-G536 WeakPolarHBondContact ND1-CA 3.39Å; H534-G536 PolarHBondContact ND1-N 2.88Å; H534-G536 PolarHBondContact ND1-O 2.88Å; H534-G536 PolarHBondContact O-N 3.1Å; G536-I544 PolarHBondContact O-N 2.79Å | ||
| 537 | V | 92.5 | Very high | 93.3 | Very high | 79 Ų | 79 | 72.9 Ų | 72.9 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -128.5 | 151.4 | -171.8 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | R542 | V537-R542 CarbonylContact C-O 3.48Å; V537-R542 VanDerWaalsContact CA-O 3.24Å; V537-R542 WeakPolarHBondContact CA-O 3.29Å |
| 538 | D | 91.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | trans | -79.6 | -179.5 | 174.5 | 76 | 3.7 | 0 | 0 | 0 | 112.7 | L540 R541 R542 I544 | D538-L540 PolarHBondContact O-N 2.94Å; D538-L540 VanDerWaalsContact O-N 3.12Å; D538-L540 WeakPolarHBondContact OD1-CA 3.36Å; D538-L540 WeakPolarHBondContact OD1-CB 3.14Å; D538-L540 PolarHBondContact OD1-N 3.39Å; D538-R541 WeakPolarHBondContact O-CA 3.34Å; D538-R541 PolarHBondContact O-N 3.23Å; D538-R541 PolarHBondContact OD1-N 2.83Å; D538-R542 PolarHBondContact N-O 3.17Å; D538-R542 WeakPolarHBondContact OD1-CB 3.36Å; D538-R542 PolarHBondContact OD1-N 3.03Å; D538-R542 IonicContact OD1-NE 3.99Å; D538-R542 IonicContact OD2-CZ 3.54Å; D538-R542 VanDerWaalsContact OD2-CZ 3.27Å; D538-R542 IonicContact OD2-NE 3.32Å; D538-R542 PolarHBondContact OD2-NE 2.84Å; D538-R542 IonicContact OD2-NH2 2.89Å; D538-R542 PolarHBondContact OD2-NH2 2.86Å; D538-I544 HydrophobicContact CB-CD1 4.18Å; D538-I544 HydrophobicContact CB-CG1 4.37Å | ||
| 539 | Y | 90.5 | Very high | 93.2 | Very high | 200 Ų | 200 | 83 Ų | 83 | 78% | 0.784 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.2 | 178.2 | 65.6 | -82.8 | 0 | 0 | 0 | 114.1 | ||
| 540 | L | 92.2 | Very high | 93.3 | Very high | 96 Ų | 96 | 85.5 Ų | 85.5 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 10.2 | 174.6 | -68.9 | 163.3 | 0 | 0 | 0 | 112.2 | D538 R542 | D538-L540 PolarHBondContact O-N 2.94Å; D538-L540 VanDerWaalsContact O-N 3.12Å; D538-L540 WeakPolarHBondContact OD1-CA 3.36Å; D538-L540 WeakPolarHBondContact OD1-CB 3.14Å; D538-L540 PolarHBondContact OD1-N 3.39Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 HydrophobicContact CB-CG 4.24Å; L540-R542 PolarHBondContact O-N 2.76Å |
| 541 | R | 90.6 | Very high | 93.5 | Very high | 217 Ų | 217 | 84 Ų | 84 | 82% | 0.819 | 41% | 0.41 | S | S | * | . | trans | 61 | 27.5 | -174.3 | -60.1 | -172.7 | 171.3 | -170.1 | -1.9 | 114.2 | D538 | D538-R541 WeakPolarHBondContact O-CA 3.34Å; D538-R541 PolarHBondContact O-N 3.23Å; D538-R541 PolarHBondContact OD1-N 2.83Å | ||
| 542 | R | 94 | Very high | 93.7 | Very high | 133 Ų | 133 | 82 Ų | 82 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 135.6 | 175.4 | -60.7 | 178.3 | -62.4 | -173.5 | 3.6 | 110.3 | V537 D538 L540 | V537-R542 CarbonylContact C-O 3.48Å; V537-R542 VanDerWaalsContact CA-O 3.24Å; V537-R542 WeakPolarHBondContact CA-O 3.29Å; D538-R542 PolarHBondContact N-O 3.17Å; D538-R542 WeakPolarHBondContact OD1-CB 3.36Å; D538-R542 PolarHBondContact OD1-N 3.03Å; D538-R542 IonicContact OD1-NE 3.99Å; D538-R542 IonicContact OD2-CZ 3.54Å; D538-R542 VanDerWaalsContact OD2-CZ 3.27Å; D538-R542 IonicContact OD2-NE 3.32Å; D538-R542 PolarHBondContact OD2-NE 2.84Å; D538-R542 IonicContact OD2-NH2 2.89Å; D538-R542 PolarHBondContact OD2-NH2 2.86Å; L540-R542 VanDerWaalsContact C-N 3.27Å; L540-R542 HydrophobicContact CB-CG 4.24Å; L540-R542 PolarHBondContact O-N 2.76Å |
| 543 | P | 95.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 83 Ų | 83 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 138.1 | 179.9 | -18.7 | 30.2 | 0 | 0 | 0 | 112.6 | D531 H534 | D531-P543 VanDerWaalsContact OD1-CG 3.3Å; D531-P543 WeakPolarHBondContact OD1-CG 3.38Å; H534-P543 HydrophobicContact CB-CB 3.61Å |
| 544 | I | 96.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 84 Ų | 84 | 41% | 0.41 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 125.6 | 179.3 | -58.7 | 171.7 | 0 | 0 | 0 | 108.9 | H534 C535 G536 D538 C546 | H534-I544 CarbonylContact C-O 3.54Å; H534-I544 WeakPolarHBondContact CA-O 3.16Å; H534-I544 VanDerWaalsContact CB-O 3.31Å; H534-I544 WeakPolarHBondContact CB-O 3.48Å; C535-I544 PolarHBondContact N-O 2.77Å; G536-I544 PolarHBondContact O-N 2.79Å; D538-I544 HydrophobicContact CB-CD1 4.18Å; D538-I544 HydrophobicContact CB-CG1 4.37Å; I544-C546 PolarHBondContact O-N 2.79Å |
| 545 | A | 96.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 85.8 Ų | 85.8 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 133.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T527 | T527-A545 WeakPolarHBondContact O-CB 3.01Š|
| 546 | C | 97.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 86.6 Ų | 86.6 | 7% | 0.068 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 148.8 | 169 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | N526 C535 I544 | N526-C546 HydrophobicContact CB-CB 4.28Å; N526-C546 VanDerWaalsContact O-CB 3.29Å; N526-C546 WeakPolarHBondContact O-CB 3.44Å; N526-C546 PolarHBondContact O-N 3.26Å; N526-C546 PolarHBondContact O-SG 2.87Å; N526-C546 VanDerWaalsContact O-SG 3.36Å; C535-C546 WeakPolarHBondContact CA-SG 3.32Å; C535-C546 HydrophobicContact CB-CB 3.97Å; C535-C546 WeakPolarHBondContact CB-SG 3.41Å; C535-C546 PolarHBondContact N-SG 2.92Å; C535-C546 WeakPolarHBondContact SG-CA 3.07Å; C535-C546 WeakPolarHBondContact SG-CB 3.38Å; C535-C546 CovalentContact SG-SG 2.01Å; C535-C546 PolarHBondContact SG-SG 3.33Å; I544-C546 PolarHBondContact O-N 2.79Å |
| 547 | T | 96.6 | Very high | 93.7 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 161.4 | 166.2 | 81.1 | 0 | 0 | 0 | 0 | 110.3 | R549 D550 Y551 | T547-R549 PolarHBondContact O-N 2.91Å; T547-R549 PolarHBondContact OG1-N 3.33Å; T547-D550 CarbonylContact O-C 3.6Å; T547-D550 PolarHBondContact O-N 3.21Å; T547-D550 PolarHBondContact OG1-N 2.87Å; T547-D550 PolarHBondContact OG1-OD2 3.48Å; T547-Y551 PolarHBondContact O-N 2.91Å; T547-Y551 VanDerWaalsContact O-N 3.13Å |
| 548 | D | 93.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 82 Ų | 82 | 62% | 0.62 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18 | 174.6 | -77.4 | -41.6 | 0 | 0 | 0 | 114.2 | Y551 | D548-Y551 VanDerWaalsContact O-CD1 3.25Å; D548-Y551 WeakPolarHBondContact O-CD1 3.29Å |
| 549 | R | 94.7 | Very high | 94 | Very high | 229 Ų | 229 | 83.3 Ų | 83.3 | 86% | 0.864 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -23.5 | 175.4 | -65.2 | -176 | 178.5 | -173.2 | -0.3 | 112.5 | T547 | T547-R549 PolarHBondContact O-N 2.91Å; T547-R549 PolarHBondContact OG1-N 3.33Å |
| 550 | D | 94.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 75.1 Ų | 75.1 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -112.5 | 14.2 | -171.2 | -51.5 | -42.5 | 0 | 0 | 0 | 112.5 | C535 T547 L552 C553 | C535-D550 PolarHBondContact SG-O 2.96Å; T547-D550 CarbonylContact O-C 3.6Å; T547-D550 PolarHBondContact O-N 3.21Å; T547-D550 PolarHBondContact OG1-N 2.87Å; T547-D550 PolarHBondContact OG1-OD2 3.48Å; D550-L552 PolarHBondContact O-N 2.92Å; D550-L552 VanDerWaalsContact O-N 3.07Å; D550-C553 HydrophobicContact CB-CB 4.24Å; D550-C553 WeakPolarHBondContact O-CA 3.48Å; D550-C553 VanDerWaalsContact O-CB 3.26Å; D550-C553 WeakPolarHBondContact O-CB 3.49Å; D550-C553 PolarHBondContact O-N 3.3Å |
| 551 | Y | 95.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.7 | -23.1 | -177.6 | 71.9 | -84.8 | 0 | 0 | 0 | 113.8 | D519 F522 R523 N526 T547 D548 | D519-Y551 HydrophobicContact CB-CE2 4.21Å; F522-Y551 HydrophobicContact CB-CD2 3.64Å; F522-Y551 HydrophobicContact CB-CE2 4.14Å; R523-Y551 HydrophobicContact CB-CD2 3.85Å; R523-Y551 HydrophobicContact CB-CE2 4.17Å; R523-Y551 HydrophobicContact CB-CG 4.28Å; R523-Y551 PolarHBondContact NH2-OH 2.96Å; N526-Y551 WeakPolarHBondContact CB-O 3.22Å; N526-Y551 PolarHBondContact ND2-O 3.42Å; T547-Y551 PolarHBondContact O-N 2.91Å; T547-Y551 VanDerWaalsContact O-N 3.13Å; D548-Y551 VanDerWaalsContact O-CD1 3.25Å; D548-Y551 WeakPolarHBondContact O-CD1 3.29Å |
| 552 | L | 92.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -82.9 | -11.1 | 173.1 | -65.3 | 176.9 | 0 | 0 | 0 | 113.7 | F522 D550 G554 | F522-L552 HydrophobicContact CB-CD2 3.95Å; F522-L552 HydrophobicContact CD1-CD2 4.07Å; F522-L552 HydrophobicContact CD2-CD2 4.19Å; F522-L552 HydrophobicContact CG-CD2 3.82Å; D550-L552 PolarHBondContact O-N 2.92Å; D550-L552 VanDerWaalsContact O-N 3.07Å; L552-G554 VanDerWaalsContact C-N 3.3Å |
| 553 | C | 90.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -85.9 | -3.4 | 176 | -57.7 | 0 | 0 | 0 | 0 | 113 | D550 | D550-C553 HydrophobicContact CB-CB 4.24Å; D550-C553 WeakPolarHBondContact O-CA 3.48Å; D550-C553 VanDerWaalsContact O-CB 3.26Å; D550-C553 WeakPolarHBondContact O-CB 3.49Å; D550-C553 PolarHBondContact O-N 3.3Å |
| 554 | G | 92.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -83.5 | -150.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N526 H534 L552 | N526-G554 WeakPolarHBondContact ND2-CA 3.38Å; H534-G554 WeakPolarHBondContact O-CA 3.36Å; L552-G554 VanDerWaalsContact C-N 3.3Å |
| 555 | L | 92.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 65 Ų | 65 | 34% | 0.335 | 37% | 0.365 | S | S | . | . | trans | -67 | 147 | 178.6 | -61.5 | -176.6 | 0 | 0 | 0 | 111.8 | F522 N526 F532 H534 F557 | F522-L555 WeakPolarHBondContact CD1-O 3.39Å; N526-L555 PolarHBondContact ND2-N 3.18Å; N526-L555 PolarHBondContact ND2-O 2.03Å; N526-L555 PolarHBondContact OD1-N 2.79Å; F532-L555 VanDerWaalsContact C-CD1 3.48Å; H534-L555 PolarHBondContact O-N 3.4Å; L555-F557 WeakPolarHBondContact O-CD2 3.48Å | ||
| 556 | L | 92.6 | Very high | 92.9 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | trans | -73.8 | 130.3 | 176 | 177 | 64.9 | 0 | 0 | 0 | 110.3 | A502 D505 F522 | A502-L556 HydrophobicContact CB-CD1 3.86Å; D505-L556 HydrophobicContact CB-CD2 3.6Å; F522-L556 HydrophobicContact CE1-CD1 4.37Å; F522-L556 HydrophobicContact CZ-CD1 4.21Å | ||
| 557 | F | 95.4 | Very high | 92 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | trans | -112.6 | 140.2 | 168.7 | -67.5 | -79.4 | 0 | 0 | 0 | 111.1 | A517 C521 F522 F525 F532 L555 C584 K585 | A517-F557 VanDerWaalsContact CB-C 3.48Å; A517-F557 HydrophobicContact CB-CB 3.64Å; A517-F557 WeakPolarHBondContact CB-O 3.31Å; A517-F557 PolarHBondContact N-O 3.28Å; C521-F557 HydrophobicContact CB-CB 3.81Å; C521-F557 HydrophobicContact CB-CD1 4.38Å; C521-F557 HydrophobicContact CB-CD2 4.23Å; C521-F557 HydrophobicContact CB-CG 3.88Å; F522-F557 HydrophobicContact CB-CD2 4.44Å; F522-F557 AromaticContact CD1-CD2 3.81Å; F522-F557 HydrophobicContact CD1-CD2 3.81Å; F522-F557 HydrophobicContact CD2-CB 4.36Å; F522-F557 HydrophobicContact CD2-CD2 4.4Å; F522-F557 HydrophobicContact CE1-CB 4.27Å; F522-F557 HydrophobicContact CE1-CD2 4.12Å; F522-F557 HydrophobicContact CE2-CB 3.96Å; F522-F557 AromaticContact CG-CD2 3.96Å; F522-F557 HydrophobicContact CG-CD2 3.96Å; F522-F557 HydrophobicContact CZ-CB 3.9Å; F522-F557 WeakPolarHBondContact CZ-O 3.29Å; F525-F557 HydrophobicContact CB-CE1 4.23Å; F525-F557 HydrophobicContact CB-CE2 3.93Å; F525-F557 HydrophobicContact CB-CZ 3.41Å; F525-F557 VanDerWaalsContact CB-CZ 3.41Å; F525-F557 AromaticContact CD2-CE1 3.91Å; F525-F557 HydrophobicContact CD2-CE1 3.91Å; F525-F557 AromaticContact CD2-CZ 3.9Å; F525-F557 HydrophobicContact CD2-CZ 3.9Å; F525-F557 HydrophobicContact CG-CE1 4.32Å; F525-F557 AromaticContact CG-CZ 3.97Å; F525-F557 HydrophobicContact CG-CZ 3.97Å; F532-F557 WeakPolarHBondContact O-CZ 3.03Å; L555-F557 WeakPolarHBondContact O-CD2 3.48Å; F557-C584 HydrophobicContact CD1-CB 3.79Å; F557-C584 HydrophobicContact CE1-CB 4.37Å; F557-C584 HydrophobicContact CG-CB 4.47Å; F557-K585 CarbonylContact C-O 3.59Å; F557-K585 WeakPolarHBondContact CA-O 3.22Å | ||
| 558 | C | 95.9 | Very high | 91 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 163.6 | -177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | C506 W510 T515 K585 | C506-C558 WeakPolarHBondContact CA-SG 3.49Å; C506-C558 HydrophobicContact CB-CB 3.71Å; C506-C558 WeakPolarHBondContact CB-SG 2.97Å; C506-C558 VanDerWaalsContact SG-CA 3.56Å; C506-C558 WeakPolarHBondContact SG-CB 3.03Å; C506-C558 CovalentContact SG-SG 2.03Å; C506-C558 PolarHBondContact SG-SG 2.94Å; W510-C558 HydrophobicContact CG-CB 4.5Å; T515-C558 CarbonylContact O-C 3.43Å; T515-C558 VanDerWaalsContact O-CA 3.31Å; T515-C558 WeakPolarHBondContact O-CA 3.48Å; C558-K585 HydrophobicContact CB-CB 4.28Å; C558-K585 PolarHBondContact N-O 3.16Å; C558-K585 WeakPolarHBondContact O-CB 3.44Å; C558-K585 PolarHBondContact O-N 3.32Å |
| 559 | K | 95.2 | Very high | 90.2 | Very high | 65 Ų | 65 | 75 Ų | 75 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.1 | 171.3 | 66.2 | 179.8 | 171.1 | -173.2 | 0 | 111.4 | S514 T515 V516 D518 E583 | S514-K559 CarbonylContact C-O 3.58Å; S514-K559 VanDerWaalsContact CA-O 3.25Å; S514-K559 WeakPolarHBondContact CA-O 3.48Å; S514-K559 WeakPolarHBondContact CB-O 3.45Å; T515-K559 HydrophobicContact CG2-CD 4.46Å; T515-K559 HydrophobicContact CG2-CG 3.83Å; T515-K559 PolarHBondContact N-O 2.85Å; T515-K559 PolarHBondContact O-N 2.77Å; V516-K559 VanDerWaalsContact O-CE 3.32Å; V516-K559 WeakPolarHBondContact O-CE 3.06Å; D518-K559 IonicContact OD1-NZ 3.76Å; D518-K559 IonicContact OD2-NZ 2.77Å; D518-K559 PolarHBondContact OD2-NZ 2.85Å; K559-E583 HydrophobicContact CB-CB 4.5Å |
| 560 | G | 94.7 | Very high | 89.7 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.9 | -166.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E583 K585 | G560-E583 PolarHBondContact N-OE2 2.65Å; G560-K585 WeakPolarHBondContact O-CE 3.29Å; G560-K585 PolarHBondContact O-NZ 3.01Å |
| 561 | G | 93.5 | Very high | 89.4 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 71.6 | -158 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | W510 E513 | W510-G561 CarbonylContact O-C 3.59Å; W510-G561 WeakPolarHBondContact O-CA 2.88Å; E513-G561 PolarHBondContact O-N 2.03Å |
| 562 | T | 92.1 | Very high | 89 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | trans | -68.2 | 152.1 | -176.4 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | W510 S564 K585 | W510-T562 PolarHBondContact O-N 3.47Å; W510-T562 PolarHBondContact O-OG1 3.32Å; W510-T562 VanDerWaalsContact O-OG1 3.12Å; T562-S564 VanDerWaalsContact C-N 3.34Å; T562-S564 WeakPolarHBondContact CB-O 3.41Å; T562-S564 PolarHBondContact OG1-O 2.92Å; T562-K585 PolarHBondContact O-NZ 3.46Å | ||
| 563 | E | 88.5 | Confident | 88.9 | Confident | 133 Ų | 133 | 70 Ų | 70 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -72.2 | -28.9 | 176.1 | -73.4 | -60 | 135.2 | 0 | 0 | 112.7 | K572 | E563-K572 IonicContact OE1-NZ 2.8Å; E563-K572 PolarHBondContact OE1-NZ 3.07Å; E563-K572 VanDerWaalsContact OE1-NZ 3.16Å; E563-K572 IonicContact OE2-NZ 2.78Å; E563-K572 PolarHBondContact OE2-NZ 2.85Å |
| 564 | S | 88.2 | Confident | 88.9 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -106.9 | 136.8 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | T562 | T562-S564 VanDerWaalsContact C-N 3.34Å; T562-S564 WeakPolarHBondContact CB-O 3.41Å; T562-S564 PolarHBondContact OG1-O 2.92Å |
| 565 | P | 88.9 | Confident | 88.9 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | trans | -72.8 | 155.6 | 176.6 | 31.4 | -34.6 | 0 | 0 | 0 | 111.2 | I509 W510 F567 Y570 | I509-P565 HydrophobicContact CG2-CB 4.05Å; W510-P565 HydrophobicContact CD2-CB 4.36Å; W510-P565 HydrophobicContact CE3-CB 4.05Å; W510-P565 HydrophobicContact CH2-CB 3.77Å; W510-P565 HydrophobicContact CH2-CG 3.93Å; W510-P565 HydrophobicContact CZ2-CB 4.03Å; W510-P565 HydrophobicContact CZ3-CB 3.78Å; W510-P565 HydrophobicContact CZ3-CG 4.11Å; P565-F567 WeakPolarHBondContact CG-O 3.36Å; P565-F567 PolarHBondContact O-N 3.3Å; P565-Y570 WeakPolarHBondContact CG-O 3.31Å | ||
| 566 | S | 85.2 | Confident | 88.9 | Confident | 82 Ų | 82 | 73 Ų | 73 | 57% | 0.573 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -73.2 | -13.6 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | I509 | I509-S566 PolarHBondContact O-N 2.74Å; I509-S566 PolarHBondContact O-OG 3.14Å |
| 567 | F | 79.1 | Confident | 88.8 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -130 | 149.4 | -176.7 | -56.5 | -78.2 | 0 | 0 | 0 | 111 | K508 I509 P565 Y570 | K508-F567 HydrophobicContact CG-CE2 4.05Å; K508-F567 HydrophobicContact CG-CZ 4.32Å; K508-F567 WeakPolarHBondContact O-CE2 3.03Å; I509-F567 HydrophobicContact CG1-CD2 4.36Å; P565-F567 WeakPolarHBondContact CG-O 3.36Å; P565-F567 PolarHBondContact O-N 3.3Å; F567-Y570 HydrophobicContact CB-CD2 3.7Å; F567-Y570 HydrophobicContact CB-CE2 3.59Å; F567-Y570 HydrophobicContact CD2-CE2 4.41Å; F567-Y570 HydrophobicContact CG-CE2 4.33Å |
| 568 | P | 74.5 | Confident | 88.5 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 162.5 | 171.8 | 27.7 | -32.9 | 0 | 0 | 0 | 111.5 | Y570 | P568-Y570 VanDerWaalsContact C-N 3.27Å; P568-Y570 WeakPolarHBondContact O-CD2 2.99Å; P568-Y570 PolarHBondContact O-N 3.12Å |
| 569 | F | 78.4 | Confident | 88.2 | Confident | 200 Ų | 200 | 84.8 Ų | 84.8 | 88% | 0.877 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -9.7 | 179.5 | -46.6 | -74.8 | 0 | 0 | 0 | 117.3 | ||
| 570 | Y | 84.2 | Confident | 88.1 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | trans | -86.6 | 143 | 168.8 | -59.1 | -86.3 | 0 | 0 | 0 | 109.7 | I509 P565 F567 P568 | I509-Y570 HydrophobicContact CD1-CD1 4Å; I509-Y570 HydrophobicContact CD1-CE1 3.48Å; I509-Y570 VanDerWaalsContact CD1-CE1 3.48Å; I509-Y570 HydrophobicContact CG1-CD1 4.44Å; I509-Y570 HydrophobicContact CG1-CE1 4.07Å; I509-Y570 HydrophobicContact CG1-CE2 4.46Å; I509-Y570 HydrophobicContact CG2-CD1 3.74Å; I509-Y570 HydrophobicContact CG2-CD2 3.95Å; I509-Y570 HydrophobicContact CG2-CE1 4.21Å; I509-Y570 HydrophobicContact CG2-CE2 4.4Å; I509-Y570 HydrophobicContact CG2-CG 3.58Å; P565-Y570 WeakPolarHBondContact CG-O 3.31Å; F567-Y570 HydrophobicContact CB-CD2 3.7Å; F567-Y570 HydrophobicContact CB-CE2 3.59Å; F567-Y570 HydrophobicContact CD2-CE2 4.41Å; F567-Y570 HydrophobicContact CG-CE2 4.33Å; P568-Y570 VanDerWaalsContact C-N 3.27Å; P568-Y570 WeakPolarHBondContact O-CD2 2.99Å; P568-Y570 PolarHBondContact O-N 3.12Å | ||
| 571 | F | 87.8 | Confident | 88 | Confident | 97 Ų | 97 | 91.5 Ų | 91.5 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | trans | -149.5 | 151.5 | -180 | 68.7 | -85.8 | 0 | 0 | 0 | 110.1 | F532 T573 K585 | F532-F571 HydrophobicContact CB-CE1 3.66Å; F532-F571 HydrophobicContact CB-CZ 3.44Å; F532-F571 VanDerWaalsContact CB-CZ 3.44Å; F532-F571 HydrophobicContact CD1-CZ 4.07Å; F532-F571 AromaticContact CD2-CZ 3.93Å; F532-F571 HydrophobicContact CD2-CZ 3.93Å; F532-F571 HydrophobicContact CG-CE1 4.26Å; F532-F571 AromaticContact CG-CZ 3.57Å; F532-F571 HydrophobicContact CG-CZ 3.57Å; F571-T573 HydrophobicContact CE2-CG2 4.38Å; F571-K585 VanDerWaalsContact O-OXT 3.13Å | ||
| 572 | K | 88 | Confident | 88.1 | Confident | 73 Ų | 73 | 92 Ų | 92 | 32% | 0.317 | 49% | 0.49 | S | S | . | . | trans | -85.8 | 129.8 | 176.2 | 174.1 | 174 | 175.4 | 161.6 | 0 | 109.9 | E563 E583 K585 | E563-K572 IonicContact OE1-NZ 2.8Å; E563-K572 PolarHBondContact OE1-NZ 3.07Å; E563-K572 VanDerWaalsContact OE1-NZ 3.16Å; E563-K572 IonicContact OE2-NZ 2.78Å; E563-K572 PolarHBondContact OE2-NZ 2.85Å; K572-E583 WeakPolarHBondContact CE-OE1 3.49Å; K572-E583 IonicContact NZ-OE1 3.27Å; K572-E583 PolarHBondContact NZ-OE1 2.93Å; K572-K585 HydrophobicContact CB-CG 4.21Å; K572-K585 HydrophobicContact CD-CG 4.47Å; K572-K585 HydrophobicContact CG-CG 4.09Å | ||
| 573 | T | 89.8 | Confident | 88.2 | Confident | 36 Ų | 36 | 91 Ų | 91 | 22% | 0.221 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 162.5 | 163 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | F525 F571 C584 | F525-T573 HydrophobicContact CE1-CG2 4.47Å; F525-T573 HydrophobicContact CE2-CG2 3.74Å; F525-T573 HydrophobicContact CZ-CG2 3.7Å; F571-T573 HydrophobicContact CE2-CG2 4.38Å; T573-C584 HydrophobicContact CG2-CB 3.91Å; T573-C584 VanDerWaalsContact CG2-O 3.3Å; T573-C584 WeakPolarHBondContact CG2-O 3.34Å; T573-C584 PolarHBondContact N-O 2.78Å; T573-C584 CarbonylContact O-C 3.6Å; T573-C584 PolarHBondContact O-N 3.16Å |
| 574 | Q | 91 | Very high | 88.4 | Confident | 118 Ų | 118 | 84.6 Ų | 84.6 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.8 | 175.1 | 65.8 | -176.9 | 24.1 | 0 | 0 | 110.2 | V581 F582 | Q574-V581 HydrophobicContact CB-CG1 4.34Å; Q574-F582 WeakPolarHBondContact CA-O 3.31Å; Q574-F582 VanDerWaalsContact CB-O 3.29Å; Q574-F582 WeakPolarHBondContact CB-O 3.32Å |
| 575 | F | 92.3 | Very high | 88.6 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 13% | 0.127 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 164 | 171.2 | 68.8 | -85.8 | 0 | 0 | 0 | 110.4 | A520 K524 F525 E577 V581 F582 C584 | A520-F575 HydrophobicContact CB-CZ 3.96Å; K524-F575 HydrophobicContact CB-CE1 4.08Å; K524-F575 HydrophobicContact CB-CZ 4Å; K524-F575 HydrophobicContact CG-CD1 4.45Å; K524-F575 HydrophobicContact CG-CE1 4.2Å; K524-F575 HydrophobicContact CG-CE2 4.49Å; K524-F575 HydrophobicContact CG-CZ 4.21Å; F525-F575 AromaticContact CE2-CD1 3.87Å; F525-F575 HydrophobicContact CE2-CD1 3.87Å; F525-F575 HydrophobicContact CE2-CE1 4.07Å; F525-F575 HydrophobicContact CZ-CD1 4.08Å; F575-E577 HydrophobicContact CD2-CB 4.11Å; F575-E577 HydrophobicContact CE2-CB 3.88Å; F575-V581 WeakPolarHBondContact O-CA 3.5Å; F575-F582 HydrophobicContact CD1-CB 4.17Å; F575-F582 HydrophobicContact CD2-CD2 4.24Å; F575-F582 HydrophobicContact CE1-CB 3.76Å; F575-F582 HydrophobicContact CE1-CG 4.39Å; F575-F582 HydrophobicContact CE2-CB 4.31Å; F575-F582 AromaticContact CE2-CD2 3.66Å; F575-F582 HydrophobicContact CE2-CD2 3.66Å; F575-F582 HydrophobicContact CE2-CE2 4.36Å; F575-F582 HydrophobicContact CE2-CG 4.23Å; F575-F582 HydrophobicContact CZ-CB 3.85Å; F575-F582 AromaticContact CZ-CD2 3.86Å; F575-F582 HydrophobicContact CZ-CD2 3.86Å; F575-F582 AromaticContact CZ-CG 3.97Å; F575-F582 HydrophobicContact CZ-CG 3.97Å; F575-F582 PolarHBondContact N-O 2.77Å; F575-F582 PolarHBondContact O-N 2.72Å; F575-C584 VanDerWaalsContact CE1-SG 3.56Å |
| 576 | T | 92.2 | Very high | 88.6 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.9 | 177 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | K580 V581 | T576-K580 VanDerWaalsContact CA-O 3.29Å; T576-K580 WeakPolarHBondContact CA-O 3.07Å; T576-V581 HydrophobicContact CG2-CG2 4.49Å |
| 577 | E | 89.5 | Confident | 88.8 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 42% | 0.416 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 130.4 | 176.6 | -174.3 | 166.1 | -133.1 | 0 | 0 | 107.7 | F575 G579 K580 F582 | F575-E577 HydrophobicContact CD2-CB 4.11Å; F575-E577 HydrophobicContact CE2-CB 3.88Å; E577-G579 PolarHBondContact O-N 3.01Å; E577-G579 VanDerWaalsContact O-N 3.1Å; E577-K580 PolarHBondContact N-O 2.94Å; E577-K580 PolarHBondContact O-N 3.08Å; E577-F582 HydrophobicContact CB-CD2 4.43Å; E577-F582 HydrophobicContact CB-CE2 4.09Å |
| 578 | D | 90.2 | Very high | 89.3 | Confident | 161 Ų | 161 | 83.2 Ų | 83.2 | 86% | 0.861 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36 | -176.2 | -58.5 | -32.5 | 0 | 0 | 0 | 114.8 | K580 | D578-K580 PolarHBondContact O-N 3.31Š|
| 579 | G | 89.9 | Confident | 90.2 | Very high | 71 Ų | 71 | 82.5 Ų | 82.5 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 2.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E577 | E577-G579 PolarHBondContact O-N 3.01Å; E577-G579 VanDerWaalsContact O-N 3.1Å |
| 580 | K | 93 | Very high | 90.9 | Very high | 145 Ų | 145 | 75.2 Ų | 75.2 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.5 | 172.3 | -66.3 | -177.8 | -177.8 | 176.3 | 0 | 110.3 | T576 E577 D578 F582 | T576-K580 VanDerWaalsContact CA-O 3.29Å; T576-K580 WeakPolarHBondContact CA-O 3.07Å; E577-K580 PolarHBondContact N-O 2.94Å; E577-K580 PolarHBondContact O-N 3.08Å; D578-K580 PolarHBondContact O-N 3.31Å; K580-F582 HydrophobicContact CB-CE2 3.92Å; K580-F582 HydrophobicContact CB-CZ 4.14Å; K580-F582 HydrophobicContact CD-CZ 4.47Å |
| 581 | V | 92.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 73 Ų | 73 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | Q574 F575 T576 | Q574-V581 HydrophobicContact CB-CG1 4.34Å; F575-V581 WeakPolarHBondContact O-CA 3.5Å; T576-V581 HydrophobicContact CG2-CG2 4.49Å |
| 582 | F | 94.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 71.3 Ų | 71.3 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.2 | 175.4 | -66.2 | -83 | 0 | 0 | 0 | 109.2 | D518 A520 Q574 F575 E577 K580 | D518-F582 HydrophobicContact CB-CD1 3.89Å; D518-F582 HydrophobicContact CB-CE1 4.06Å; A520-F582 HydrophobicContact CB-CD1 3.85Å; A520-F582 HydrophobicContact CB-CD2 4.46Å; A520-F582 HydrophobicContact CB-CE1 3.77Å; A520-F582 HydrophobicContact CB-CE2 4.41Å; A520-F582 HydrophobicContact CB-CG 4.19Å; A520-F582 HydrophobicContact CB-CZ 4.06Å; Q574-F582 WeakPolarHBondContact CA-O 3.31Å; Q574-F582 VanDerWaalsContact CB-O 3.29Å; Q574-F582 WeakPolarHBondContact CB-O 3.32Å; F575-F582 HydrophobicContact CD1-CB 4.17Å; F575-F582 HydrophobicContact CD2-CD2 4.24Å; F575-F582 HydrophobicContact CE1-CB 3.76Å; F575-F582 HydrophobicContact CE1-CG 4.39Å; F575-F582 HydrophobicContact CE2-CB 4.31Å; F575-F582 AromaticContact CE2-CD2 3.66Å; F575-F582 HydrophobicContact CE2-CD2 3.66Å; F575-F582 HydrophobicContact CE2-CE2 4.36Å; F575-F582 HydrophobicContact CE2-CG 4.23Å; F575-F582 HydrophobicContact CZ-CB 3.85Å; F575-F582 AromaticContact CZ-CD2 3.86Å; F575-F582 HydrophobicContact CZ-CD2 3.86Å; F575-F582 AromaticContact CZ-CG 3.97Å; F575-F582 HydrophobicContact CZ-CG 3.97Å; F575-F582 PolarHBondContact N-O 2.77Å; F575-F582 PolarHBondContact O-N 2.72Å; E577-F582 HydrophobicContact CB-CD2 4.43Å; E577-F582 HydrophobicContact CB-CE2 4.09Å; K580-F582 HydrophobicContact CB-CE2 3.92Å; K580-F582 HydrophobicContact CB-CZ 4.14Å; K580-F582 HydrophobicContact CD-CZ 4.47Å |
| 583 | E | 94.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.7 | 171.8 | -176.9 | -179.3 | -128.5 | 0 | 0 | 109.2 | C521 K559 G560 K572 K585 | C521-E583 PolarHBondContact SG-O 3.34Å; C521-E583 VanDerWaalsContact SG-O 3.4Å; K559-E583 HydrophobicContact CB-CB 4.5Å; G560-E583 PolarHBondContact N-OE2 2.65Å; K572-E583 WeakPolarHBondContact CE-OE1 3.49Å; K572-E583 IonicContact NZ-OE1 3.27Å; K572-E583 PolarHBondContact NZ-OE1 2.93Å; E583-K585 HydrophobicContact CG-CG 3.87Å; E583-K585 WeakPolarHBondContact OE1-CE 3.28Å; E583-K585 IonicContact OE1-NZ 2.82Å |
| 584 | C | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 91 | -179 | -46.6 | 0 | 0 | 0 | 0 | 107.9 | C521 F525 F557 T573 F575 | C521-C584 VanDerWaalsContact CA-SG 3.57Å; C521-C584 HydrophobicContact CB-CB 3.66Å; C521-C584 WeakPolarHBondContact CB-SG 3.42Å; C521-C584 VanDerWaalsContact SG-CA 3.53Å; C521-C584 WeakPolarHBondContact SG-CB 3.2Å; C521-C584 CovalentContact SG-SG 2.03Å; C521-C584 PolarHBondContact SG-SG 2.8Å; F525-C584 HydrophobicContact CD2-CB 4.37Å; F525-C584 HydrophobicContact CE2-CB 3.95Å; F557-C584 HydrophobicContact CD1-CB 3.79Å; F557-C584 HydrophobicContact CE1-CB 4.37Å; F557-C584 HydrophobicContact CG-CB 4.47Å; T573-C584 HydrophobicContact CG2-CB 3.91Å; T573-C584 VanDerWaalsContact CG2-O 3.3Å; T573-C584 WeakPolarHBondContact CG2-O 3.34Å; T573-C584 PolarHBondContact N-O 2.78Å; T573-C584 CarbonylContact O-C 3.6Å; T573-C584 PolarHBondContact O-N 3.16Å; F575-C584 VanDerWaalsContact CE1-SG 3.56Å |
| 585 | K | 91.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 70.1 Ų | 70.1 | 6% | 0.057 | 39% | 0.392 | C | S | . | . | trans | -92 | 0 | 177.7 | -58.3 | -167.9 | -178.7 | -177.4 | 0 | 112.5 | W510 F557 C558 G560 T562 F571 K572 E583 | W510-K585 HydrophobicContact CD2-CB 3.97Å; W510-K585 HydrophobicContact CD2-CD 3.66Å; W510-K585 HydrophobicContact CD2-CG 4.46Å; W510-K585 VanDerWaalsContact CE2-CB 3.42Å; W510-K585 HydrophobicContact CE3-CD 3.68Å; W510-K585 HydrophobicContact CG-CB 4.41Å; W510-K585 HydrophobicContact CG-CD 4.12Å; W510-K585 HydrophobicContact CH2-CB 4.19Å; W510-K585 HydrophobicContact CH2-CD 4.31Å; W510-K585 HydrophobicContact CZ2-CB 3.58Å; W510-K585 HydrophobicContact CZ2-CD 4.34Å; W510-K585 HydrophobicContact CZ2-CG 4.39Å; W510-K585 WeakPolarHBondContact CZ2-OXT 3.25Å; W510-K585 HydrophobicContact CZ3-CD 3.98Å; W510-K585 PolarHBondContact NE1-OXT 3.21Å; F557-K585 CarbonylContact C-O 3.59Å; F557-K585 WeakPolarHBondContact CA-O 3.22Å; C558-K585 HydrophobicContact CB-CB 4.28Å; C558-K585 PolarHBondContact N-O 3.16Å; C558-K585 WeakPolarHBondContact O-CB 3.44Å; C558-K585 PolarHBondContact O-N 3.32Å; G560-K585 WeakPolarHBondContact O-CE 3.29Å; G560-K585 PolarHBondContact O-NZ 3.01Å; T562-K585 PolarHBondContact O-NZ 3.46Å; F571-K585 VanDerWaalsContact O-OXT 3.13Å; K572-K585 HydrophobicContact CB-CG 4.21Å; K572-K585 HydrophobicContact CD-CG 4.47Å; K572-K585 HydrophobicContact CG-CG 4.09Å; E583-K585 HydrophobicContact CG-CG 3.87Å; E583-K585 WeakPolarHBondContact OE1-CE 3.28Å; E583-K585 IonicContact OE1-NZ 2.82Å |
Retrieved 585 of 585 residues in 1459.6 ms
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