| 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 | 79.3 | Confident | 91.9 | Very high | 167 Ų | 167 | 24.8 Ų | 24.8 | 82% | 0.823 | 14% | 0.135 | S | C | * | . | 0 | -179.2 | 0 | -63 | 70.3 | 171.5 | 0 | 0 | 109 | T97 | M1-T97 PolarHBondContact O-N 2.93Š| |||
| 2 | A | 86.4 | Confident | 91.5 | Very high | 39 Ų | 39 | 22.9 Ų | 22.9 | 32% | 0.322 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 104.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T97 | A2-T97 CarbonylContact C-O 3.55Å; A2-T97 WeakPolarHBondContact CA-O 3.49Å |
| 3 | V | 91.8 | Very high | 91.1 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 18% | 0.176 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.3 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | R5 D66 V96 T97 L98 N99 | V3-R5 HydrophobicContact CG1-CG 4.39Å; V3-D66 WeakPolarHBondContact CA-O 3.47Å; V3-D66 WeakPolarHBondContact CG2-OD1 3.32Å; V3-V96 HydrophobicContact CB-CG1 4.48Å; V3-V96 HydrophobicContact CG2-CG1 3.9Å; V3-T97 PolarHBondContact N-O 3.47Å; V3-T97 VanDerWaalsContact N-O 3.11Å; V3-L98 HydrophobicContact CB-CD1 4.02Å; V3-L98 HydrophobicContact CG1-CD1 3.95Å; V3-N99 PolarHBondContact O-N 2.87Å |
| 4 | T | 93.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 112.8 | -177.7 | -58 | 0 | 0 | 0 | 0 | 111.2 | I6 D66 F67 E68 N99 | T4-I6 HydrophobicContact CG2-CD1 4.16Å; T4-I6 HydrophobicContact CG2-CG1 4.04Å; T4-D66 PolarHBondContact N-O 3.39Å; T4-F67 CarbonylContact O-C 3.53Å; T4-F67 WeakPolarHBondContact O-CA 3.36Å; T4-E68 PolarHBondContact O-N 3.23Å; T4-N99 WeakPolarHBondContact CA-O 3.45Å; T4-N99 HydrophobicContact CG2-CB 4.13Å; T4-N99 PolarHBondContact OG1-ND2 3.38Å |
| 5 | R | 94.8 | Very high | 89.2 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 11% | 0.109 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.3 | 178.4 | -56.4 | -171.8 | 167.9 | 127.7 | -7.6 | 110.9 | V3 E68 N86 F87 Q89 L98 N99 V100 I101 | V3-R5 HydrophobicContact CG1-CG 4.39Å; R5-E68 CarbonylContact C-O 3.58Å; R5-E68 WeakPolarHBondContact CA-O 3.33Å; R5-E68 HydrophobicContact CB-CB 4.32Å; R5-E68 WeakPolarHBondContact CD-OE2 3.31Å; R5-E68 HydrophobicContact CG-CB 4Å; R5-E68 IonicContact CZ-OE2 3.23Å; R5-E68 IonicContact NE-OE2 2.71Å; R5-E68 PolarHBondContact NE-OE2 3.35Å; R5-N86 PolarHBondContact NH1-O 3.43Å; R5-N86 PolarHBondContact NH2-O 3.3Å; R5-F87 HydrophobicContact CB-CD1 3.63Å; R5-F87 HydrophobicContact CB-CE1 3.73Å; R5-F87 HydrophobicContact CB-CG 4.06Å; R5-F87 HydrophobicContact CB-CZ 4.24Å; R5-F87 WeakPolarHBondContact CD-O 3.37Å; R5-F87 PolarHBondContact NH1-O 3.12Å; R5-Q89 PolarHBondContact NH1-O 2.76Å; R5-L98 HydrophobicContact CG-CD1 4.18Å; R5-N99 PolarHBondContact N-O 2.64Å; R5-V100 CarbonylContact O-C 3.6Å; R5-V100 WeakPolarHBondContact O-CA 3.48Å; R5-I101 PolarHBondContact O-N 2.86Å |
| 6 | I | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.9 | -169.3 | -51.6 | 166.6 | 0 | 0 | 0 | 109 | T4 F37 I41 F67 E68 F69 L70 I101 | T4-I6 HydrophobicContact CG2-CD1 4.16Å; T4-I6 HydrophobicContact CG2-CG1 4.04Å; I6-F37 HydrophobicContact CB-CE2 4.41Å; I6-F37 HydrophobicContact CD1-CD2 3.96Å; I6-F37 HydrophobicContact CD1-CE2 3.56Å; I6-F37 HydrophobicContact CG1-CD2 4.25Å; I6-F37 HydrophobicContact CG1-CE2 3.74Å; I6-F37 HydrophobicContact CG2-CE2 3.79Å; I6-F37 HydrophobicContact CG2-CZ 4.22Å; I6-I41 HydrophobicContact CD1-CD1 4.14Å; I6-I41 HydrophobicContact CD1-CG1 3.8Å; I6-F67 HydrophobicContact CD1-CD2 4.3Å; I6-F67 HydrophobicContact CD1-CE2 3.38Å; I6-F67 HydrophobicContact CD1-CZ 3.67Å; I6-E68 PolarHBondContact N-O 3.35Å; I6-F69 HydrophobicContact CB-CD2 3.78Å; I6-F69 HydrophobicContact CB-CE2 4.41Å; I6-F69 HydrophobicContact CB-CG 4.44Å; I6-F69 HydrophobicContact CD1-CD2 3.98Å; I6-F69 HydrophobicContact CG1-CD2 4.5Å; I6-F69 HydrophobicContact CG2-CD2 3.7Å; I6-F69 HydrophobicContact CG2-CE2 3.81Å; I6-F69 CarbonylContact O-C 3.51Å; I6-F69 VanDerWaalsContact O-CA 3.32Å; I6-F69 WeakPolarHBondContact O-CA 3.29Å; I6-L70 PolarHBondContact O-N 2.92Å; I6-I101 CarbonylContact C-O 3.57Å; I6-I101 WeakPolarHBondContact CA-O 3.42Å |
| 7 | A | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L70 L83 F87 I101 L102 I103 | A7-L70 CarbonylContact C-O 3.51Å; A7-L70 WeakPolarHBondContact CA-O 3.46Å; A7-L83 HydrophobicContact CB-CD1 3.65Å; A7-L83 HydrophobicContact CB-CD2 4.05Å; A7-F87 HydrophobicContact CB-CD1 4.2Å; A7-F87 HydrophobicContact CB-CE1 3.66Å; A7-F87 HydrophobicContact CB-CZ 4.33Å; A7-I101 PolarHBondContact N-O 3.21Å; A7-L102 HydrophobicContact CB-CD2 3.91Å; A7-I103 PolarHBondContact O-N 2.9Å |
| 8 | I | 95 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | 164.6 | -61.6 | 169.9 | 0 | 0 | 0 | 107 | L10 V26 F69 L70 T71 L72 I103 L219 M222 | I8-L10 HydrophobicContact CG2-CD2 3.67Å; I8-L10 HydrophobicContact CG2-CG 4.18Å; I8-V26 HydrophobicContact CD1-CG1 3.89Å; I8-V26 HydrophobicContact CG1-CG1 4.47Å; I8-V26 HydrophobicContact CG2-CG1 4.22Å; I8-V26 HydrophobicContact CG2-CG2 3.92Å; I8-F69 HydrophobicContact CD1-CE1 4.33Å; I8-F69 HydrophobicContact CD1-CE2 4.42Å; I8-F69 HydrophobicContact CD1-CZ 3.64Å; I8-F69 HydrophobicContact CG1-CZ 4.39Å; I8-L70 PolarHBondContact N-O 2.99Å; I8-T71 HydrophobicContact CB-CG2 4.04Å; I8-T71 HydrophobicContact CG2-CG2 4.1Å; I8-T71 CarbonylContact O-C 3.44Å; I8-T71 WeakPolarHBondContact O-CA 3.42Å; I8-L72 PolarHBondContact O-N 2.98Å; I8-I103 CarbonylContact C-O 3.14Å; I8-I103 WeakPolarHBondContact CA-O 3.14Å; I8-I103 HydrophobicContact CG1-CB 4.31Å; I8-L219 HydrophobicContact CD1-CD2 4.09Å; I8-M222 HydrophobicContact CD1-CE 4.15Å |
| 9 | V | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.3 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | P75 I80 L83 I103 Y104 A105 W115 L117 | V9-P75 HydrophobicContact CG1-CG 3.88Å; V9-I80 HydrophobicContact CG1-CD1 4.03Å; V9-I80 HydrophobicContact CG2-CD1 4.31Å; V9-L83 HydrophobicContact CG2-CD2 3.86Å; V9-I103 PolarHBondContact N-O 2.79Å; V9-Y104 HydrophobicContact CB-CD2 4.03Å; V9-Y104 HydrophobicContact CG1-CD2 3.78Å; V9-Y104 HydrophobicContact CG1-CE2 4.11Å; V9-Y104 WeakPolarHBondContact O-CA 3.46Å; V9-Y104 WeakPolarHBondContact O-CD2 3.48Å; V9-A105 PolarHBondContact O-N 2.88Å; V9-W115 HydrophobicContact CB-CZ3 4.38Å; V9-W115 HydrophobicContact CG2-CZ3 4.37Å; V9-L117 HydrophobicContact CG1-CD2 4.06Å |
| 10 | L | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.7 | 177.4 | -51.5 | 174.1 | 0 | 0 | 0 | 107.8 | I8 V26 I59 T71 L72 R74 A105 L223 L226 Y230 | I8-L10 HydrophobicContact CG2-CD2 3.67Å; I8-L10 HydrophobicContact CG2-CG 4.18Å; L10-V26 HydrophobicContact CD2-CG2 3.7Å; L10-I59 HydrophobicContact CD1-CD1 3.8Å; L10-T71 HydrophobicContact CD1-CG2 3.89Å; L10-T71 HydrophobicContact CG-CG2 4.24Å; L10-L72 WeakPolarHBondContact CB-O 3.49Å; L10-L72 PolarHBondContact N-O 3.06Å; L10-R74 WeakPolarHBondContact O-CA 3.18Å; L10-R74 PolarHBondContact O-N 3.13Å; L10-A105 CarbonylContact C-O 3.5Å; L10-A105 WeakPolarHBondContact CA-O 3.36Å; L10-A105 HydrophobicContact CD2-CB 4.21Å; L10-L223 HydrophobicContact CD1-CD2 3.45Å; L10-L223 VanDerWaalsContact CD1-CD2 3.45Å; L10-L223 HydrophobicContact CD2-CD2 4.28Å; L10-L226 HydrophobicContact CD1-CD2 3.79Å; L10-Y230 WeakPolarHBondContact CB-OH 3.11Å; L10-Y230 PolarHBondContact O-OH 3.33Å |
| 11 | G | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -96.4 | -154.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | A105 Y230 | G11-A105 PolarHBondContact N-O 2.75Å; G11-Y230 WeakPolarHBondContact O-CE1 3.02Å; G11-Y230 PolarHBondContact O-OH 3.2Å | ||
| 12 | E | 87.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | trans | -65.8 | 161.9 | 174.2 | -67.1 | -51.1 | 102.7 | 0 | 0 | 112.7 | R74 G106 L107 L116 P118 H283 | E12-R74 VanDerWaalsContact CD-CZ 3.5Å; E12-R74 VanDerWaalsContact CD-NH2 3.27Å; E12-R74 IonicContact OE1-CZ 3.49Å; E12-R74 IonicContact OE1-NE 2.67Å; E12-R74 IonicContact OE1-NH1 3.33Å; E12-R74 PolarHBondContact OE1-NH1 2.69Å; E12-R74 IonicContact OE1-NH2 2.92Å; E12-R74 PolarHBondContact OE1-NH2 3.01Å; E12-R74 IonicContact OE2-CZ 3.47Å; E12-R74 IonicContact OE2-NH1 2.7Å; E12-R74 PolarHBondContact OE2-NH1 3.33Å; E12-R74 IonicContact OE2-NH2 2.86Å; E12-R74 PolarHBondContact OE2-NH2 2.67Å; E12-G106 WeakPolarHBondContact O-CA 3.17Å; E12-L107 HydrophobicContact CB-CB 4.18Å; E12-L107 HydrophobicContact CB-CD1 3.81Å; E12-L107 HydrophobicContact CB-CG 4.16Å; E12-L107 WeakPolarHBondContact O-CG 3.37Å; E12-L107 PolarHBondContact O-N 3.24Å; E12-L116 PolarHBondContact N-O 3.39Å; E12-P118 WeakPolarHBondContact OE1-CA 3.43Å; E12-P118 WeakPolarHBondContact OE1-CD 3.34Å; E12-P118 WeakPolarHBondContact OE1-CG 3.31Å; E12-H283 IonicContact OE2-CD2 3.86Å | ||
| 13 | L | 86.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -124.4 | 158.6 | 168.3 | -62.3 | -175.5 | 0 | 0 | 0 | 108.8 | Q18 K19 L22 Y230 L234 F354 | L13-Q18 HydrophobicContact CD1-CB 4.32Å; L13-Q18 HydrophobicContact CD2-CB 4.05Å; L13-K19 HydrophobicContact CD1-CB 4.12Å; L13-L22 HydrophobicContact CD1-CD1 4.44Å; L13-L22 HydrophobicContact CD2-CD1 4.34Å; L13-L22 HydrophobicContact CD2-CD2 3.99Å; L13-L22 HydrophobicContact CD2-CG 4.21Å; L13-Y230 HydrophobicContact CD1-CD1 3.47Å; L13-Y230 VanDerWaalsContact CD1-CD1 3.47Å; L13-Y230 HydrophobicContact CD1-CE1 3.81Å; L13-Y230 HydrophobicContact CD1-CG 4.22Å; L13-Y230 HydrophobicContact CG-CD1 3.8Å; L13-Y230 HydrophobicContact CG-CE1 3.66Å; L13-L234 WeakPolarHBondContact O-CD1 3.43Å; L13-L234 WeakPolarHBondContact O-CD2 3.46Å; L13-F354 HydrophobicContact CD2-CD1 3.72Å; L13-F354 HydrophobicContact CD2-CE1 3.44Å; L13-F354 VanDerWaalsContact CD2-CE1 3.44Å | ||
| 14 | L | 77.4 | Confident | 87.5 | Confident | 56 Ų | 56 | 30.6 Ų | 30.6 | 29% | 0.293 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -88.9 | -23 | 168.8 | -81.6 | 171 | 0 | 0 | 0 | 113 | L107 | L14-L107 HydrophobicContact CB-CD2 4.39Å; L14-L107 HydrophobicContact CD1-CD2 4.05Å; L14-L107 HydrophobicContact CD2-CD1 4.14Å; L14-L107 HydrophobicContact CG-CD1 3.81Å; L14-L107 HydrophobicContact CG-CD2 3.73Å; L14-L107 HydrophobicContact CG-CG 4.4Å |
| 15 | D | 75.4 | Confident | 87.3 | Confident | 92 Ų | 92 | 30.5 Ų | 30.5 | 49% | 0.492 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -156.2 | 147.7 | -179 | 175.3 | 68.5 | 0 | 0 | 0 | 110.1 | G17 Q18 | D15-G17 PolarHBondContact O-N 3.01Å; D15-G17 WeakPolarHBondContact OD2-CA 3.2Å; D15-G17 PolarHBondContact OD2-N 2.74Å; D15-Q18 HydrophobicContact CB-CG 4.43Å; D15-Q18 VanDerWaalsContact O-CB 3.24Å; D15-Q18 WeakPolarHBondContact O-CB 3.31Å; D15-Q18 WeakPolarHBondContact O-CG 3.22Å; D15-Q18 PolarHBondContact O-N 2.82Å |
| 16 | E | 78.5 | Confident | 87.2 | Confident | 43 Ų | 43 | 29.1 Ų | 29.1 | 20% | 0.201 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -63.1 | -27.8 | -178.2 | -73.7 | -65.8 | 107.8 | 0 | 0 | 113 | Q18 K19 P229 Y230 S231 | E16-Q18 PolarHBondContact O-N 3.44Å; E16-Q18 VanDerWaalsContact O-N 3.11Å; E16-K19 WeakPolarHBondContact O-CB 3.28Å; E16-K19 PolarHBondContact O-N 3.38Å; E16-P229 HydrophobicContact CG-CB 4.48Å; E16-P229 WeakPolarHBondContact OE2-CA 3.46Å; E16-Y230 PolarHBondContact OE2-N 3.2Å; E16-S231 WeakPolarHBondContact OE1-CB 3.49Å; E16-S231 PolarHBondContact OE1-N 3.1Å; E16-S231 PolarHBondContact OE1-OG 3.48Å |
| 17 | G | 79.6 | Confident | 87 | Confident | 48 Ų | 48 | 31 Ų | 31 | 50% | 0.495 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -58.9 | -23.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | D15 K19 S20 | D15-G17 PolarHBondContact O-N 3.01Å; D15-G17 WeakPolarHBondContact OD2-CA 3.2Å; D15-G17 PolarHBondContact OD2-N 2.74Å; G17-K19 VanDerWaalsContact C-N 3.28Å; G17-K19 PolarHBondContact O-N 3.06Å; G17-S20 PolarHBondContact O-OG 2.74Å |
| 18 | Q | 82.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -71.2 | -18.1 | 175.6 | -56.2 | -172.8 | -29.6 | 0 | 0 | 113.4 | L13 D15 E16 S20 S21 F354 | L13-Q18 HydrophobicContact CD1-CB 4.32Å; L13-Q18 HydrophobicContact CD2-CB 4.05Å; D15-Q18 HydrophobicContact CB-CG 4.43Å; D15-Q18 VanDerWaalsContact O-CB 3.24Å; D15-Q18 WeakPolarHBondContact O-CB 3.31Å; D15-Q18 WeakPolarHBondContact O-CG 3.22Å; D15-Q18 PolarHBondContact O-N 2.82Å; E16-Q18 PolarHBondContact O-N 3.44Å; E16-Q18 VanDerWaalsContact O-N 3.11Å; Q18-S20 PolarHBondContact O-N 3.23Å; Q18-S21 PolarHBondContact O-N 3.3Å; Q18-F354 HydrophobicContact CB-CD1 4.34Å; Q18-F354 HydrophobicContact CB-CE1 3.73Å; Q18-F354 HydrophobicContact CB-CZ 4.49Å |
| 19 | K | 84.4 | Confident | 86.4 | Confident | 32 Ų | 32 | 35.6 Ų | 35.6 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.9 | -41.4 | 176.5 | -175.6 | -179 | 178.8 | 170.1 | 0 | 111.3 | L13 E16 G17 S21 L22 L226 P227 D228 | L13-K19 HydrophobicContact CD1-CB 4.12Å; E16-K19 WeakPolarHBondContact O-CB 3.28Å; E16-K19 PolarHBondContact O-N 3.38Å; G17-K19 VanDerWaalsContact C-N 3.28Å; G17-K19 PolarHBondContact O-N 3.06Å; K19-S21 PolarHBondContact O-N 2.84Å; K19-S21 VanDerWaalsContact O-N 3.12Å; K19-L22 PolarHBondContact O-N 2.81Å; K19-L226 VanDerWaalsContact CE-CB 3.49Å; K19-L226 HydrophobicContact CG-CD1 4.15Å; K19-L226 PolarHBondContact NZ-O 3.11Å; K19-P227 PolarHBondContact NZ-O 3.18Å; K19-D228 IonicContact NZ-OD1 2.62Å; K19-D228 PolarHBondContact NZ-OD1 3.1Å; K19-D228 IonicContact NZ-OD2 3.41Å; K19-D228 PolarHBondContact NZ-OD2 3.47Å |
| 20 | S | 82.2 | Confident | 86.1 | Confident | 86 Ų | 86 | 35.7 Ų | 35.7 | 60% | 0.601 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -58.4 | -21.7 | 176.4 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | G17 Q18 | G17-S20 PolarHBondContact O-OG 2.74Å; Q18-S20 PolarHBondContact O-N 3.23Å |
| 21 | S | 86.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.5 | -9.9 | -176.6 | -65.1 | 0 | 0 | 0 | 0 | 113.5 | Q18 K19 V23 K24 D25 | Q18-S21 PolarHBondContact O-N 3.3Å; K19-S21 PolarHBondContact O-N 2.84Å; K19-S21 VanDerWaalsContact O-N 3.12Å; S21-V23 VanDerWaalsContact C-N 3.28Å; S21-V23 PolarHBondContact O-N 3.49Å; S21-K24 PolarHBondContact O-N 3.23Å; S21-K24 VanDerWaalsContact O-N 3.11Å; S21-D25 PolarHBondContact O-N 2.75Å; S21-D25 VanDerWaalsContact O-N 3.15Å |
| 22 | L | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -40.1 | 176.6 | -75.1 | 172.8 | 0 | 0 | 0 | 111.7 | L13 K19 K24 D25 V26 A105 L226 Y230 F354 | L13-L22 HydrophobicContact CD1-CD1 4.44Å; L13-L22 HydrophobicContact CD2-CD1 4.34Å; L13-L22 HydrophobicContact CD2-CD2 3.99Å; L13-L22 HydrophobicContact CD2-CG 4.21Å; K19-L22 PolarHBondContact O-N 2.81Å; L22-K24 VanDerWaalsContact C-N 3.26Å; L22-K24 PolarHBondContact O-N 3.35Å; L22-D25 PolarHBondContact O-N 2.97Å; L22-V26 WeakPolarHBondContact O-CB 3.31Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 2.87Å; L22-A105 HydrophobicContact CD2-CB 4.13Å; L22-L226 HydrophobicContact CD1-CD1 4.01Å; L22-Y230 HydrophobicContact CD1-CE2 4.09Å; L22-F354 HydrophobicContact CD2-CE1 4.01Å; L22-F354 HydrophobicContact CD2-CZ 4.14Å; L22-F354 HydrophobicContact CG-CE1 4.37Å; L22-F354 HydrophobicContact CG-CZ 4.36Å |
| 23 | V | 87.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -51.8 | -47.1 | 175.7 | -171.7 | 0 | 0 | 0 | 0 | 111 | S21 I27 L219 L223 | S21-V23 VanDerWaalsContact C-N 3.28Å; S21-V23 PolarHBondContact O-N 3.49Å; V23-I27 HydrophobicContact CG1-CD1 3.95Å; V23-I27 WeakPolarHBondContact O-CB 3.47Å; V23-I27 VanDerWaalsContact O-CG1 3.25Å; V23-I27 WeakPolarHBondContact O-CG1 3.36Å; V23-I27 PolarHBondContact O-N 3.17Å; V23-L219 HydrophobicContact CG1-CB 4.44Å; V23-L223 HydrophobicContact CB-CD1 4.11Å; V23-L223 HydrophobicContact CG1-CD1 4.49Å; V23-L223 HydrophobicContact CG2-CB 4.36Å; V23-L223 HydrophobicContact CG2-CD1 3.67Å |
| 24 | K | 87.5 | Confident | 85.6 | Confident | 142 Ų | 142 | 39.5 Ų | 39.5 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.1 | -38 | -177.3 | -63.5 | 171.8 | -177.3 | 166.9 | 0 | 111.8 | S21 L22 Q28 | S21-K24 PolarHBondContact O-N 3.23Å; S21-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.26Å; L22-K24 PolarHBondContact O-N 3.35Å; K24-Q28 WeakPolarHBondContact O-CB 3.3Å; K24-Q28 PolarHBondContact O-N 2.96Å |
| 25 | D | 89.5 | Confident | 85.8 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.4 | -40.8 | 179.2 | -163.3 | 34 | 0 | 0 | 0 | 111.5 | S21 L22 Q28 G29 A105 G106 G160 A161 F354 | S21-D25 PolarHBondContact O-N 2.75Å; S21-D25 VanDerWaalsContact O-N 3.15Å; L22-D25 PolarHBondContact O-N 2.97Å; D25-Q28 PolarHBondContact O-N 3.33Å; D25-G29 PolarHBondContact O-N 3.34Å; D25-A105 HydrophobicContact CB-CB 3.92Å; D25-A105 WeakPolarHBondContact OD2-CA 3.44Å; D25-A105 WeakPolarHBondContact OD2-CB 3.31Å; D25-G106 PolarHBondContact OD2-N 3.21Å; D25-G160 VanDerWaalsContact OD1-C 3.27Å; D25-G160 WeakPolarHBondContact OD1-CA 3.5Å; D25-A161 PolarHBondContact OD1-N 3.1Å; D25-F354 HydrophobicContact CB-CD2 4.22Å; D25-F354 HydrophobicContact CB-CE2 3.77Å |
| 26 | V | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 170.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | I8 L10 L22 Q28 G29 L30 A105 L219 | I8-V26 HydrophobicContact CD1-CG1 3.89Å; I8-V26 HydrophobicContact CG1-CG1 4.47Å; I8-V26 HydrophobicContact CG2-CG1 4.22Å; I8-V26 HydrophobicContact CG2-CG2 3.92Å; L10-V26 HydrophobicContact CD2-CG2 3.7Å; L22-V26 WeakPolarHBondContact O-CB 3.31Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 2.87Å; V26-Q28 VanDerWaalsContact C-N 3.32Å; V26-Q28 PolarHBondContact O-N 2.98Å; V26-G29 PolarHBondContact O-N 2.69Å; V26-L30 HydrophobicContact CG1-CD1 3.63Å; V26-L30 HydrophobicContact CG1-CG 4.42Å; V26-L30 WeakPolarHBondContact O-CB 3.37Å; V26-L30 WeakPolarHBondContact O-CD1 3.44Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.05Å; V26-A105 HydrophobicContact CG2-CB 3.5Å; V26-L219 HydrophobicContact CG1-CD1 3.88Å; V26-L219 HydrophobicContact CG1-CD2 4.04Å |
| 27 | I | 89.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.8 | -71 | 169.2 | 0 | 0 | 0 | 111 | V23 L30 S31 E216 L219 | V23-I27 HydrophobicContact CG1-CD1 3.95Å; V23-I27 WeakPolarHBondContact O-CB 3.47Å; V23-I27 VanDerWaalsContact O-CG1 3.25Å; V23-I27 WeakPolarHBondContact O-CG1 3.36Å; V23-I27 PolarHBondContact O-N 3.17Å; I27-L30 PolarHBondContact O-N 2.98Å; I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 2.86Å; I27-E216 HydrophobicContact CD1-CB 4.07Å; I27-E216 HydrophobicContact CD1-CG 3.73Å; I27-L219 HydrophobicContact CD1-CD1 4.26Å; I27-L219 HydrophobicContact CG1-CD1 3.53Å |
| 28 | Q | 88.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 179.2 | -176.3 | 52.3 | 64.6 | 0 | 0 | 111.4 | K24 D25 V26 S31 T32 G160 | K24-Q28 WeakPolarHBondContact O-CB 3.3Å; K24-Q28 PolarHBondContact O-N 2.96Å; D25-Q28 PolarHBondContact O-N 3.33Å; V26-Q28 VanDerWaalsContact C-N 3.32Å; V26-Q28 PolarHBondContact O-N 2.98Å; Q28-S31 PolarHBondContact NE2-OG 3.38Å; Q28-S31 VanDerWaalsContact NE2-OG 3.13Å; Q28-S31 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact O-OG 3.06Å; Q28-T32 WeakPolarHBondContact O-CG2 3.37Å; Q28-G160 WeakPolarHBondContact CG-O 3.4Å |
| 29 | G | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D25 V26 S31 T32 | D25-G29 PolarHBondContact O-N 3.34Å; V26-G29 PolarHBondContact O-N 2.69Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.17Å; G29-T32 WeakPolarHBondContact O-CB 3.48Å; G29-T32 PolarHBondContact O-N 3.31Å; G29-T32 VanDerWaalsContact O-N 3.08Å; G29-T32 PolarHBondContact O-OG1 3.28Å |
| 30 | L | 89.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -35.8 | 176.7 | -73.7 | 165.3 | 0 | 0 | 0 | 113 | V26 I27 T32 S33 F37 I41 I103 F215 L219 | V26-L30 HydrophobicContact CG1-CD1 3.63Å; V26-L30 HydrophobicContact CG1-CG 4.42Å; V26-L30 WeakPolarHBondContact O-CB 3.37Å; V26-L30 WeakPolarHBondContact O-CD1 3.44Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.05Å; I27-L30 PolarHBondContact O-N 2.98Å; L30-T32 PolarHBondContact O-N 3.45Å; L30-T32 VanDerWaalsContact O-N 3.1Å; L30-S33 VanDerWaalsContact O-CB 3.24Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 3.07Å; L30-S33 PolarHBondContact O-OG 2.96Å; L30-F37 HydrophobicContact CD2-CE1 3.68Å; L30-F37 HydrophobicContact CD2-CZ 3.41Å; L30-F37 VanDerWaalsContact CD2-CZ 3.41Å; L30-I41 HydrophobicContact CD2-CD1 4.43Å; L30-I103 HydrophobicContact CD2-CD1 4.02Å; L30-I103 HydrophobicContact CD2-CG1 3.65Å; L30-I103 HydrophobicContact CG-CD1 4.37Å; L30-I103 HydrophobicContact CG-CG1 4.06Å; L30-I103 HydrophobicContact CG-CG2 4.34Å; L30-F215 HydrophobicContact CD1-CE1 3.63Å; L30-F215 HydrophobicContact CD1-CZ 3.67Å; L30-L219 HydrophobicContact CD1-CD1 4Å |
| 31 | S | 87.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 40 Ų | 40 | 36% | 0.357 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.3 | -21.7 | 176.7 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | I27 Q28 G29 | I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact NE2-OG 3.38Å; Q28-S31 VanDerWaalsContact NE2-OG 3.13Å; Q28-S31 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact O-OG 3.06Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.17Å |
| 32 | T | 88.2 | Confident | 86.2 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | 178.8 | 80.6 | 0 | 0 | 0 | 0 | 114.1 | Q28 G29 L30 H156 N189 R190 | Q28-T32 WeakPolarHBondContact O-CG2 3.37Å; G29-T32 WeakPolarHBondContact O-CB 3.48Å; G29-T32 PolarHBondContact O-N 3.31Å; G29-T32 VanDerWaalsContact O-N 3.08Å; G29-T32 PolarHBondContact O-OG1 3.28Å; L30-T32 PolarHBondContact O-N 3.45Å; L30-T32 VanDerWaalsContact O-N 3.1Å; T32-H156 PolarHBondContact O-CE1 3.05Å; T32-H156 VanDerWaalsContact O-CE1 3.29Å; T32-H156 PolarHBondContact O-NE2 3.15Å; T32-H156 PolarHBondContact OG1-NE2 3.04Å; T32-N189 HydrophobicContact CG2-CB 4.39Å; T32-N189 PolarHBondContact OG1-OD1 3.08Å; T32-R190 WeakPolarHBondContact O-CB 3.35Å; T32-R190 WeakPolarHBondContact O-CG 3.3Å; T32-R190 PolarHBondContact O-N 3.46Å |
| 33 | S | 87 | Confident | 86 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -75.4 | 165.2 | 178.5 | -66.1 | 0 | 0 | 0 | 0 | 113 | L30 F37 H156 | L30-S33 VanDerWaalsContact O-CB 3.24Å; L30-S33 WeakPolarHBondContact O-CB 3.35Å; L30-S33 PolarHBondContact O-N 3.07Å; L30-S33 PolarHBondContact O-OG 2.96Å; S33-F37 WeakPolarHBondContact OG-CE1 3.36Å; S33-H156 WeakPolarHBondContact CA-NE2 3.31Å; S33-H156 PolarHBondContact OG-CD2 3.18Å; S33-H156 PolarHBondContact OG-NE2 2.98Å |
| 34 | P | 84.1 | Confident | 85.8 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -58.3 | 145.3 | 173.7 | -21.4 | 32.7 | 0 | 0 | 0 | 112.4 | D36 F37 | P34-D36 VanDerWaalsContact C-N 3.28Å; P34-D36 PolarHBondContact O-N 2.95Å; P34-F37 WeakPolarHBondContact O-CB 3.12Å; P34-F37 PolarHBondContact O-N 3.43Å; P34-F37 VanDerWaalsContact O-N 3.16Å | ||
| 35 | P | 82.3 | Confident | 85.5 | Confident | 69 Ų | 69 | 41.3 Ų | 41.3 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.5 | -40.7 | 176.8 | -25.2 | 35 | 0 | 0 | 0 | 113.3 | F37 L38 L39 | P35-F37 PolarHBondContact O-N 2.94Å; P35-F37 VanDerWaalsContact O-N 3.16Å; P35-L38 PolarHBondContact O-N 3.12Å; P35-L38 VanDerWaalsContact O-N 3.08Å; P35-L39 PolarHBondContact O-N 3.34Å |
| 36 | D | 82.9 | Confident | 85 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.7 | -31.3 | 180 | -37.7 | -27.3 | 0 | 0 | 0 | 112.6 | P34 K40 | P34-D36 VanDerWaalsContact C-N 3.28Å; P34-D36 PolarHBondContact O-N 2.95Å; D36-K40 PolarHBondContact O-N 3.05Å |
| 37 | F | 81 | Confident | 84.5 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.3 | -41.2 | 177.5 | 149.3 | -95.2 | 0 | 0 | 0 | 112.5 | I6 L30 S33 P34 P35 L39 K40 I41 I101 | I6-F37 HydrophobicContact CB-CE2 4.41Å; I6-F37 HydrophobicContact CD1-CD2 3.96Å; I6-F37 HydrophobicContact CD1-CE2 3.56Å; I6-F37 HydrophobicContact CG1-CD2 4.25Å; I6-F37 HydrophobicContact CG1-CE2 3.74Å; I6-F37 HydrophobicContact CG2-CE2 3.79Å; I6-F37 HydrophobicContact CG2-CZ 4.22Å; L30-F37 HydrophobicContact CD2-CE1 3.68Å; L30-F37 HydrophobicContact CD2-CZ 3.41Å; L30-F37 VanDerWaalsContact CD2-CZ 3.41Å; S33-F37 WeakPolarHBondContact OG-CE1 3.36Å; P34-F37 WeakPolarHBondContact O-CB 3.12Å; P34-F37 PolarHBondContact O-N 3.43Å; P34-F37 VanDerWaalsContact O-N 3.16Å; P35-F37 PolarHBondContact O-N 2.94Å; P35-F37 VanDerWaalsContact O-N 3.16Å; F37-L39 VanDerWaalsContact C-N 3.26Å; F37-L39 PolarHBondContact O-N 3.11Å; F37-K40 PolarHBondContact O-N 3.19Å; F37-K40 VanDerWaalsContact O-N 3.11Å; F37-I41 HydrophobicContact CD2-CD1 4.19Å; F37-I41 HydrophobicContact CD2-CG1 4.29Å; F37-I41 HydrophobicContact CE1-CD1 3.97Å; F37-I41 HydrophobicContact CE2-CD1 3.44Å; F37-I41 VanDerWaalsContact CE2-CD1 3.44Å; F37-I41 HydrophobicContact CE2-CG1 3.95Å; F37-I41 HydrophobicContact CZ-CD1 3.32Å; F37-I41 HydrophobicContact CZ-CG1 4.27Å; F37-I41 PolarHBondContact O-N 3.13Å; F37-I101 HydrophobicContact CB-CD1 3.74Å; F37-I101 HydrophobicContact CD1-CD1 4.42Å; F37-I101 HydrophobicContact CD2-CD1 3.18Å; F37-I101 HydrophobicContact CD2-CG1 4.38Å; F37-I101 HydrophobicContact CD2-CG2 4.35Å; F37-I101 HydrophobicContact CE1-CG2 4.48Å; F37-I101 HydrophobicContact CE2-CB 4.19Å; F37-I101 HydrophobicContact CE2-CD1 3.71Å; F37-I101 HydrophobicContact CE2-CG2 3.78Å; F37-I101 HydrophobicContact CG-CD1 3.54Å; F37-I101 HydrophobicContact CZ-CG2 3.83Å |
| 38 | L | 80.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 176.9 | -63.7 | 174.9 | 0 | 0 | 0 | 110.3 | P35 I41 Q42 | P35-L38 PolarHBondContact O-N 3.12Å; P35-L38 VanDerWaalsContact O-N 3.08Å; L38-I41 PolarHBondContact O-N 3.13Å; L38-Q42 VanDerWaalsContact O-CB 3.29Å; L38-Q42 WeakPolarHBondContact O-CB 3.27Å; L38-Q42 PolarHBondContact O-N 3.08Å |
| 39 | L | 83.2 | Confident | 83 | Confident | 110 Ų | 110 | 49.6 Ų | 49.6 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 171.7 | -66.5 | 171.6 | 0 | 0 | 0 | 112.5 | P35 F37 Q42 S43 | P35-L39 PolarHBondContact O-N 3.34Å; F37-L39 VanDerWaalsContact C-N 3.26Å; F37-L39 PolarHBondContact O-N 3.11Å; L39-Q42 PolarHBondContact O-N 2.76Å; L39-S43 PolarHBondContact O-N 3.13Å |
| 40 | K | 83.7 | Confident | 81.6 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.4 | -177.3 | 70.3 | 178.8 | 174.6 | 0 | 112.1 | D36 F37 S43 H44 F67 | D36-K40 PolarHBondContact O-N 3.05Å; F37-K40 PolarHBondContact O-N 3.19Å; F37-K40 VanDerWaalsContact O-N 3.11Å; K40-S43 PolarHBondContact O-OG 2.88Å; K40-H44 WeakPolarHBondContact CE-CE1 3.08Å; K40-H44 PolarHBondContact NZ-CE1 2.86Å; K40-H44 PolarHBondContact NZ-NE2 2.83Å; K40-H44 PolarHBondContact O-ND1 2.96Å; K40-F67 HydrophobicContact CD-CD2 4.3Å; K40-F67 HydrophobicContact CG-CD2 3.86Å; K40-F67 HydrophobicContact CG-CE2 3.91Å |
| 41 | I | 82.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 169.6 | -74.8 | -176.6 | 0 | 0 | 0 | 110 | I6 L30 F37 L38 S43 H44 L45 F69 F215 | I6-I41 HydrophobicContact CD1-CD1 4.14Å; I6-I41 HydrophobicContact CD1-CG1 3.8Å; L30-I41 HydrophobicContact CD2-CD1 4.43Å; F37-I41 HydrophobicContact CD2-CD1 4.19Å; F37-I41 HydrophobicContact CD2-CG1 4.29Å; F37-I41 HydrophobicContact CE1-CD1 3.97Å; F37-I41 HydrophobicContact CE2-CD1 3.44Å; F37-I41 VanDerWaalsContact CE2-CD1 3.44Å; F37-I41 HydrophobicContact CE2-CG1 3.95Å; F37-I41 HydrophobicContact CZ-CD1 3.32Å; F37-I41 HydrophobicContact CZ-CG1 4.27Å; F37-I41 PolarHBondContact O-N 3.13Å; L38-I41 PolarHBondContact O-N 3.13Å; I41-S43 PolarHBondContact O-N 3.4Å; I41-H44 CarbonylContact O-C 3.56Å; I41-H44 PolarHBondContact O-N 3.37Å; I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.09Å; I41-F69 HydrophobicContact CD1-CE2 4.15Å; I41-F215 HydrophobicContact CD1-CZ 4.49Å; I41-F215 HydrophobicContact CG2-CD2 3.76Å; I41-F215 HydrophobicContact CG2-CE2 3.6Å; I41-F215 HydrophobicContact CG2-CZ 4.27Å |
| 42 | Q | 82.3 | Confident | 79 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.6 | -34 | -177.7 | -171.5 | 174.1 | 7.3 | 0 | 0 | 112.2 | L38 L39 H44 | L38-Q42 VanDerWaalsContact O-CB 3.29Å; L38-Q42 WeakPolarHBondContact O-CB 3.27Å; L38-Q42 PolarHBondContact O-N 3.08Å; L39-Q42 PolarHBondContact O-N 2.76Å; Q42-H44 VanDerWaalsContact C-N 3.26Å; Q42-H44 PolarHBondContact O-N 3.25Å |
| 43 | S | 85.4 | Confident | 78 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.6 | 176.2 | 90.6 | 0 | 0 | 0 | 0 | 115.2 | L39 K40 I41 | L39-S43 PolarHBondContact O-N 3.13Å; K40-S43 PolarHBondContact O-OG 2.88Å; I41-S43 PolarHBondContact O-N 3.4Å |
| 44 | H | 84.8 | Confident | 77.2 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.065 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 3.9 | 174.1 | -59.6 | 64 | 0 | 0 | 0 | 111.6 | K40 I41 Q42 D46 K47 L48 E64 F67 | K40-H44 WeakPolarHBondContact CE-CE1 3.08Å; K40-H44 PolarHBondContact NZ-CE1 2.86Å; K40-H44 PolarHBondContact NZ-NE2 2.83Å; K40-H44 PolarHBondContact O-ND1 2.96Å; I41-H44 CarbonylContact O-C 3.56Å; I41-H44 PolarHBondContact O-N 3.37Å; Q42-H44 VanDerWaalsContact C-N 3.26Å; Q42-H44 PolarHBondContact O-N 3.25Å; H44-D46 PolarHBondContact O-N 3.09Å; H44-K47 WeakPolarHBondContact O-CA 3.15Å; H44-K47 WeakPolarHBondContact O-CB 3.41Å; H44-K47 PolarHBondContact O-N 3.34Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 3Å; H44-E64 IonicContact CD2-OE2 3.74Å; H44-E64 PolarHBondContact CD2-OE2 2.83Å; H44-E64 IonicContact NE2-OE2 3.54Å; H44-F67 HydrophobicContact CB-CE1 4.04Å; H44-F67 HydrophobicContact CB-CZ 4.18Å; H44-F67 AromaticContact CD2-CD1 3.97Å |
| 45 | L | 80.9 | Confident | 76.9 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | -172.7 | -172 | 56.5 | 0 | 0 | 0 | 112.3 | I41 K47 L48 D214 F215 F218 | I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.09Å; L45-K47 PolarHBondContact O-N 2.76Å; L45-L48 PolarHBondContact O-N 2.9Å; L45-L48 VanDerWaalsContact O-N 3.09Å; L45-D214 HydrophobicContact CD2-CB 3.97Å; L45-D214 WeakPolarHBondContact CD2-OD2 3.26Å; L45-F215 HydrophobicContact CD1-CD2 3.91Å; L45-F215 HydrophobicContact CD2-CB 4.14Å; L45-F218 HydrophobicContact CD1-CB 3.85Å; L45-F218 HydrophobicContact CD1-CD1 4.22Å; L45-F218 HydrophobicContact CD1-CD2 4.43Å; L45-F218 HydrophobicContact CD1-CG 3.9Å |
| 46 | D | 79.3 | Confident | 76.6 | Confident | 133 Ų | 133 | 73 Ų | 73 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53.2 | -39.4 | 174.1 | -52.4 | -19.4 | 0 | 0 | 0 | 112 | H44 T49 | H44-D46 PolarHBondContact O-N 3.09Å; D46-T49 WeakPolarHBondContact O-CG2 3.21Å; D46-T49 PolarHBondContact O-OG1 2.77Å |
| 47 | K | 80.7 | Confident | 76.7 | Confident | 89 Ų | 89 | 70 Ų | 70 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.7 | -34.5 | -179.7 | -48.7 | -172.1 | -173.4 | -177.5 | 0 | 112.5 | H44 L45 T49 S50 Y62 E64 | H44-K47 WeakPolarHBondContact O-CA 3.15Å; H44-K47 WeakPolarHBondContact O-CB 3.41Å; H44-K47 PolarHBondContact O-N 3.34Å; L45-K47 PolarHBondContact O-N 2.76Å; K47-T49 PolarHBondContact O-N 2.78Å; K47-T49 VanDerWaalsContact O-N 3.16Å; K47-S50 PolarHBondContact O-N 2.98Å; K47-S50 PolarHBondContact O-OG 2.88Å; K47-Y62 HydrophobicContact CB-CE2 4.17Å; K47-Y62 WeakPolarHBondContact CB-OH 3.48Å; K47-Y62 WeakPolarHBondContact CD-OH 3.14Å; K47-E64 IonicContact NZ-OE1 3.67Å; K47-E64 PolarHBondContact NZ-OE1 3.18Å; K47-E64 IonicContact NZ-OE2 3.46Å; K47-E64 PolarHBondContact NZ-OE2 3.11Å |
| 48 | L | 77.3 | Confident | 77 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -12.1 | 178.5 | -71.9 | 169.8 | 0 | 0 | 0 | 112.9 | H44 L45 S50 F60 Y62 F67 F69 F218 | H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 3Å; L45-L48 PolarHBondContact O-N 2.9Å; L45-L48 VanDerWaalsContact O-N 3.09Å; L48-S50 PolarHBondContact O-N 3.08Å; L48-F60 HydrophobicContact CB-CZ 4.29Å; L48-F60 HydrophobicContact CD2-CE1 3.74Å; L48-F60 HydrophobicContact CD2-CZ 3.78Å; L48-F60 WeakPolarHBondContact O-CE2 3.39Å; L48-F60 VanDerWaalsContact O-CZ 3.25Å; L48-F60 WeakPolarHBondContact O-CZ 3.4Å; L48-Y62 HydrophobicContact CD2-CD1 3.65Å; L48-Y62 HydrophobicContact CD2-CE1 4.39Å; L48-Y62 HydrophobicContact CD2-CG 3.75Å; L48-F67 HydrophobicContact CD2-CE1 4.37Å; L48-F69 HydrophobicContact CD2-CB 3.97Å; L48-F69 HydrophobicContact CD2-CD1 4.19Å; L48-F69 HydrophobicContact CD2-CG 4.04Å; L48-F218 HydrophobicContact CB-CD2 4.47Å; L48-F218 HydrophobicContact CB-CE2 3.85Å; L48-F218 HydrophobicContact CB-CZ 4.05Å; L48-F218 HydrophobicContact CD1-CZ 4.5Å; L48-F218 WeakPolarHBondContact O-CE2 3.34Å |
| 49 | T | 68.3 | Low | 77.3 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.6 | 175.2 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | D46 K47 N51 | D46-T49 WeakPolarHBondContact O-CG2 3.21Å; D46-T49 PolarHBondContact O-OG1 2.77Å; K47-T49 PolarHBondContact O-N 2.78Å; K47-T49 VanDerWaalsContact O-N 3.16Å; T49-N51 PolarHBondContact O-N 3.01Å; T49-N51 PolarHBondContact O-ND2 3.16Å |
| 50 | S | 61.9 | Low | 77.5 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -74.7 | 96 | 175 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | K47 L48 | K47-S50 PolarHBondContact O-N 2.98Å; K47-S50 PolarHBondContact O-OG 2.88Å; L48-S50 PolarHBondContact O-N 3.08Å |
| 51 | N | 60 | Low | 77.7 | Confident | 58 Ų | 58 | 62 Ų | 62 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -79.9 | 126.4 | -177.5 | -76.8 | -111.5 | 0 | 0 | 0 | 111.3 | T49 K225 | T49-N51 PolarHBondContact O-N 3.01Å; T49-N51 PolarHBondContact O-ND2 3.16Å; N51-K225 PolarHBondContact OD1-NZ 3.27Å | ||
| 52 | Q | 63.2 | Low | 78 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | trans | -130.9 | 118.2 | 163.8 | -68.4 | -173.8 | -6.2 | 0 | 0 | 109.2 | S61 | Q52-S61 PolarHBondContact O-N 2.9Š| ||
| 53 | Q | 66.6 | Low | 78.3 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 65% | 0.65 | 35% | 0.352 | S | S | * | . | trans | -80.9 | 127.6 | 167.3 | -174.5 | -178.7 | 0.6 | 0 | 0 | 108.2 | S55 C58 I59 | Q53-S55 PolarHBondContact NE2-O 2.81Å; Q53-C58 WeakPolarHBondContact CG-O 3.49Å; Q53-I59 WeakPolarHBondContact CA-O 3.49Å | ||
| 54 | C | 69.7 | Low | 78.5 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 54% | 0.541 | 34% | 0.342 | S | S | . | . | trans | -107.2 | -21.8 | -173.1 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | C58 S61 | C54-C58 HydrophobicContact CB-CB 4.37Å; C54-C58 PolarHBondContact N-O 3.19Å; C54-C58 VanDerWaalsContact N-O 3.14Å; C54-S61 VanDerWaalsContact SG-CB 3.51Å | ||
| 55 | S | 77.4 | Confident | 78.5 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -160.6 | 170.3 | 179.9 | 88.5 | 0 | 0 | 0 | 0 | 110 | Q53 E57 C58 | Q53-S55 PolarHBondContact NE2-O 2.81Å; S55-E57 PolarHBondContact O-N 3.48Å; S55-E57 PolarHBondContact OG-N 2.86Å; S55-C58 CarbonylContact O-C 3.49Å; S55-C58 PolarHBondContact O-N 3.08Å; S55-C58 VanDerWaalsContact O-N 3.14Å; S55-C58 VanDerWaalsContact OG-CB 3.29Å; S55-C58 WeakPolarHBondContact OG-CB 3.29Å; S55-C58 PolarHBondContact OG-N 3.31Å |
| 56 | P | 76.9 | Confident | 78.9 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 77% | 0.766 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -62.9 | -29.4 | 173.2 | 25.3 | -34.6 | 0 | 0 | 0 | 113.1 | ||
| 57 | E | 84.6 | Confident | 79.4 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -84.7 | -16.8 | 173.3 | -63.4 | -170.5 | 165 | 0 | 0 | 112.9 | S55 L72 C73 S76 G79 | S55-E57 PolarHBondContact O-N 3.48Å; S55-E57 PolarHBondContact OG-N 2.86Å; E57-L72 CarbonylContact O-C 3.53Å; E57-L72 WeakPolarHBondContact O-CA 3.4Å; E57-C73 PolarHBondContact O-N 3.16Å; E57-S76 WeakPolarHBondContact OE1-CB 3.5Å; E57-S76 PolarHBondContact OE1-N 2.72Å; E57-S76 PolarHBondContact OE1-OG 3.4Å; E57-G79 WeakPolarHBondContact OE2-CA 3.47Å |
| 58 | C | 87.4 | Confident | 80 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 92.7 | -172.8 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | Q53 C54 S55 F60 L70 L72 | Q53-C58 WeakPolarHBondContact CG-O 3.49Å; C54-C58 HydrophobicContact CB-CB 4.37Å; C54-C58 PolarHBondContact N-O 3.19Å; C54-C58 VanDerWaalsContact N-O 3.14Å; S55-C58 CarbonylContact O-C 3.49Å; S55-C58 PolarHBondContact O-N 3.08Å; S55-C58 VanDerWaalsContact O-N 3.14Å; S55-C58 VanDerWaalsContact OG-CB 3.29Å; S55-C58 WeakPolarHBondContact OG-CB 3.29Å; S55-C58 PolarHBondContact OG-N 3.31Å; C58-F60 VanDerWaalsContact C-N 3.31Å; C58-F60 PolarHBondContact O-N 3.36Å; C58-L70 WeakPolarHBondContact SG-CD1 3.39Å; C58-L72 HydrophobicContact CB-CD2 3.84Å |
| 59 | I | 86.5 | Confident | 80.7 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -40.7 | 179.5 | -53.9 | 149.9 | 0 | 0 | 0 | 111.2 | L10 Q53 T71 C73 K225 L226 | L10-I59 HydrophobicContact CD1-CD1 3.8Å; Q53-I59 WeakPolarHBondContact CA-O 3.49Å; I59-T71 HydrophobicContact CD1-CG2 3.92Å; I59-T71 PolarHBondContact N-O 3.45Å; I59-T71 VanDerWaalsContact N-O 3.13Å; I59-C73 HydrophobicContact CD1-CB 3.66Å; I59-C73 HydrophobicContact CG1-CB 3.76Å; I59-K225 HydrophobicContact CG2-CB 4.26Å; I59-L226 HydrophobicContact CD1-CD2 3.46Å; I59-L226 VanDerWaalsContact CD1-CD2 3.46Å; I59-L226 HydrophobicContact CG1-CD2 4.33Å |
| 60 | F | 87.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133 | -171.1 | -177.9 | -83.3 | 0 | 0 | 0 | 110.6 | L48 C58 F69 L70 T71 F218 M222 | L48-F60 HydrophobicContact CB-CZ 4.29Å; L48-F60 HydrophobicContact CD2-CE1 3.74Å; L48-F60 HydrophobicContact CD2-CZ 3.78Å; L48-F60 WeakPolarHBondContact O-CE2 3.39Å; L48-F60 VanDerWaalsContact O-CZ 3.25Å; L48-F60 WeakPolarHBondContact O-CZ 3.4Å; C58-F60 VanDerWaalsContact C-N 3.31Å; C58-F60 PolarHBondContact O-N 3.36Å; F60-F69 AromaticContact CD1-CD1 3.74Å; F60-F69 HydrophobicContact CD1-CD1 3.74Å; F60-F69 HydrophobicContact CD1-CE1 4.09Å; F60-F69 AromaticContact CE1-CD1 3.64Å; F60-F69 HydrophobicContact CE1-CD1 3.64Å; F60-F69 HydrophobicContact CE1-CE1 4.2Å; F60-L70 WeakPolarHBondContact O-CA 3.43Å; F60-T71 PolarHBondContact O-N 2.8Å; F60-F218 HydrophobicContact CE2-CE2 4.43Å; F60-F218 HydrophobicContact CZ-CZ 4.45Å; F60-M222 HydrophobicContact CB-CG 4.38Å; F60-M222 HydrophobicContact CB-SD 4.26Å; F60-M222 HydrophobicContact CG-SD 4.41Å |
| 61 | S | 88.8 | Confident | 83.3 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.5 | 170.4 | -168.6 | 0 | 0 | 0 | 0 | 110.8 | Q52 C54 F69 L70 | Q52-S61 PolarHBondContact O-N 2.9Å; C54-S61 VanDerWaalsContact SG-CB 3.51Å; S61-F69 CarbonylContact C-O 3.58Å; S61-L70 WeakPolarHBondContact OG-CD1 3.36Å |
| 62 | Y | 89.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 137.1 | 177.2 | 178.4 | -98.5 | 0 | 0 | 0 | 110.7 | K47 L48 E64 F67 E68 F69 | K47-Y62 HydrophobicContact CB-CE2 4.17Å; K47-Y62 WeakPolarHBondContact CB-OH 3.48Å; K47-Y62 WeakPolarHBondContact CD-OH 3.14Å; L48-Y62 HydrophobicContact CD2-CD1 3.65Å; L48-Y62 HydrophobicContact CD2-CE1 4.39Å; L48-Y62 HydrophobicContact CD2-CG 3.75Å; Y62-E64 HydrophobicContact CE1-CG 4Å; Y62-E64 VanDerWaalsContact OH-CG 3.28Å; Y62-E64 WeakPolarHBondContact OH-CG 3.18Å; Y62-E64 PolarHBondContact OH-OE1 2.71Å; Y62-F67 AromaticContact CD1-CD1 3.91Å; Y62-F67 HydrophobicContact CD1-CD1 3.91Å; Y62-F67 AromaticContact CD1-CE1 3.91Å; Y62-F67 HydrophobicContact CD1-CE1 3.91Å; Y62-F67 AromaticContact CE1-CD1 3.8Å; Y62-F67 HydrophobicContact CE1-CD1 3.8Å; Y62-F67 HydrophobicContact CE1-CE1 4.03Å; Y62-E68 CarbonylContact O-C 3.48Å; Y62-E68 WeakPolarHBondContact O-CA 3.35Å; Y62-F69 PolarHBondContact N-O 2.92Å; Y62-F69 PolarHBondContact O-N 3.06Å |
| 63 | K | 88.5 | Confident | 86.3 | Confident | 137 Ų | 137 | 50 Ų | 50 | 60% | 0.596 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 125.4 | -172.7 | -167.3 | 167.8 | -171.9 | 150.7 | 0 | 113.2 | E68 | K63-E68 HydrophobicContact CD-CG 4.3Å; K63-E68 WeakPolarHBondContact CD-OE1 3.44Å; K63-E68 VanDerWaalsContact CE-OE1 3.24Å; K63-E68 WeakPolarHBondContact CE-OE1 3.28Å; K63-E68 HydrophobicContact CG-CG 4.15Å; K63-E68 IonicContact NZ-OE1 3.73Å; K63-E68 PolarHBondContact NZ-OE1 3.07Å; K63-E68 IonicContact NZ-OE2 2.65Å |
| 64 | E | 88.4 | Confident | 87.4 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 173.4 | 164 | -62.4 | -169.1 | 132.4 | 0 | 0 | 109 | H44 K47 Y62 D66 F67 | H44-E64 IonicContact CD2-OE2 3.74Å; H44-E64 PolarHBondContact CD2-OE2 2.83Å; H44-E64 IonicContact NE2-OE2 3.54Å; K47-E64 IonicContact NZ-OE1 3.67Å; K47-E64 PolarHBondContact NZ-OE1 3.18Å; K47-E64 IonicContact NZ-OE2 3.46Å; K47-E64 PolarHBondContact NZ-OE2 3.11Å; Y62-E64 HydrophobicContact CE1-CG 4Å; Y62-E64 VanDerWaalsContact OH-CG 3.28Å; Y62-E64 WeakPolarHBondContact OH-CG 3.18Å; Y62-E64 PolarHBondContact OH-OE1 2.71Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 2.9Å; E64-F67 PolarHBondContact N-O 2.92Å; E64-F67 PolarHBondContact O-N 3.23Å; E64-F67 VanDerWaalsContact O-O 3.06Å |
| 65 | E | 85.4 | Confident | 88.5 | Confident | 194 Ų | 194 | 41.6 Ų | 41.6 | 91% | 0.907 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -42.7 | -176.5 | -173.2 | 180 | -174.8 | 0 | 0 | 113.9 | ||
| 66 | D | 88.7 | Confident | 88.9 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 2.6 | -175.3 | -120.5 | -2.1 | 0 | 0 | 0 | 112.7 | V3 T4 E64 | V3-D66 WeakPolarHBondContact CA-O 3.47Å; V3-D66 WeakPolarHBondContact CG2-OD1 3.32Å; T4-D66 PolarHBondContact N-O 3.39Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 2.9Å |
| 67 | F | 91.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 129 | -171.3 | -175.5 | -94.7 | 0 | 0 | 0 | 113.6 | T4 I6 K40 H44 L48 Y62 E64 F69 | T4-F67 CarbonylContact O-C 3.53Å; T4-F67 WeakPolarHBondContact O-CA 3.36Å; I6-F67 HydrophobicContact CD1-CD2 4.3Å; I6-F67 HydrophobicContact CD1-CE2 3.38Å; I6-F67 HydrophobicContact CD1-CZ 3.67Å; K40-F67 HydrophobicContact CD-CD2 4.3Å; K40-F67 HydrophobicContact CG-CD2 3.86Å; K40-F67 HydrophobicContact CG-CE2 3.91Å; H44-F67 HydrophobicContact CB-CE1 4.04Å; H44-F67 HydrophobicContact CB-CZ 4.18Å; H44-F67 AromaticContact CD2-CD1 3.97Å; L48-F67 HydrophobicContact CD2-CE1 4.37Å; Y62-F67 AromaticContact CD1-CD1 3.91Å; Y62-F67 HydrophobicContact CD1-CD1 3.91Å; Y62-F67 AromaticContact CD1-CE1 3.91Å; Y62-F67 HydrophobicContact CD1-CE1 3.91Å; Y62-F67 AromaticContact CE1-CD1 3.8Å; Y62-F67 HydrophobicContact CE1-CD1 3.8Å; Y62-F67 HydrophobicContact CE1-CE1 4.03Å; E64-F67 PolarHBondContact N-O 2.92Å; E64-F67 PolarHBondContact O-N 3.23Å; E64-F67 VanDerWaalsContact O-O 3.06Å; F67-F69 HydrophobicContact CE1-CB 3.99Å; F67-F69 HydrophobicContact CZ-CB 4.35Å |
| 68 | E | 92.5 | Very high | 89.3 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.5 | -178.7 | -169.6 | 165.3 | -160.3 | 0 | 0 | 109.2 | T4 R5 I6 Y62 K63 F87 | T4-E68 PolarHBondContact O-N 3.23Å; R5-E68 CarbonylContact C-O 3.58Å; R5-E68 WeakPolarHBondContact CA-O 3.33Å; R5-E68 HydrophobicContact CB-CB 4.32Å; R5-E68 WeakPolarHBondContact CD-OE2 3.31Å; R5-E68 HydrophobicContact CG-CB 4Å; R5-E68 IonicContact CZ-OE2 3.23Å; R5-E68 IonicContact NE-OE2 2.71Å; R5-E68 PolarHBondContact NE-OE2 3.35Å; I6-E68 PolarHBondContact N-O 3.35Å; Y62-E68 CarbonylContact O-C 3.48Å; Y62-E68 WeakPolarHBondContact O-CA 3.35Å; K63-E68 HydrophobicContact CD-CG 4.3Å; K63-E68 WeakPolarHBondContact CD-OE1 3.44Å; K63-E68 VanDerWaalsContact CE-OE1 3.24Å; K63-E68 WeakPolarHBondContact CE-OE1 3.28Å; K63-E68 HydrophobicContact CG-CG 4.15Å; K63-E68 IonicContact NZ-OE1 3.73Å; K63-E68 PolarHBondContact NZ-OE1 3.07Å; K63-E68 IonicContact NZ-OE2 2.65Å; E68-F87 HydrophobicContact CG-CE2 4.14Å; E68-F87 HydrophobicContact CG-CZ 4.17Å |
| 69 | F | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128 | -178.5 | -172.4 | -76.9 | 0 | 0 | 0 | 110.3 | I6 I8 I41 L48 F60 S61 Y62 F67 F218 M222 | I6-F69 HydrophobicContact CB-CD2 3.78Å; I6-F69 HydrophobicContact CB-CE2 4.41Å; I6-F69 HydrophobicContact CB-CG 4.44Å; I6-F69 HydrophobicContact CD1-CD2 3.98Å; I6-F69 HydrophobicContact CG1-CD2 4.5Å; I6-F69 HydrophobicContact CG2-CD2 3.7Å; I6-F69 HydrophobicContact CG2-CE2 3.81Å; I6-F69 CarbonylContact O-C 3.51Å; I6-F69 VanDerWaalsContact O-CA 3.32Å; I6-F69 WeakPolarHBondContact O-CA 3.29Å; I8-F69 HydrophobicContact CD1-CE1 4.33Å; I8-F69 HydrophobicContact CD1-CE2 4.42Å; I8-F69 HydrophobicContact CD1-CZ 3.64Å; I8-F69 HydrophobicContact CG1-CZ 4.39Å; I41-F69 HydrophobicContact CD1-CE2 4.15Å; L48-F69 HydrophobicContact CD2-CB 3.97Å; L48-F69 HydrophobicContact CD2-CD1 4.19Å; L48-F69 HydrophobicContact CD2-CG 4.04Å; F60-F69 AromaticContact CD1-CD1 3.74Å; F60-F69 HydrophobicContact CD1-CD1 3.74Å; F60-F69 HydrophobicContact CD1-CE1 4.09Å; F60-F69 AromaticContact CE1-CD1 3.64Å; F60-F69 HydrophobicContact CE1-CD1 3.64Å; F60-F69 HydrophobicContact CE1-CE1 4.2Å; S61-F69 CarbonylContact C-O 3.58Å; Y62-F69 PolarHBondContact N-O 2.92Å; Y62-F69 PolarHBondContact O-N 3.06Å; F67-F69 HydrophobicContact CE1-CB 3.99Å; F67-F69 HydrophobicContact CZ-CB 4.35Å; F69-F218 HydrophobicContact CE1-CE1 4.43Å; F69-F218 HydrophobicContact CE1-CZ 4.38Å; F69-F218 HydrophobicContact CZ-CE1 4.25Å; F69-M222 HydrophobicContact CE1-SD 4.34Å |
| 70 | L | 92.5 | Very high | 89.7 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.131 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.4 | -174.8 | -165.7 | 75.3 | 0 | 0 | 0 | 110.3 | I6 A7 I8 C58 F60 S61 L72 L83 F87 | I6-L70 PolarHBondContact O-N 2.92Å; A7-L70 CarbonylContact C-O 3.51Å; A7-L70 WeakPolarHBondContact CA-O 3.46Å; I8-L70 PolarHBondContact N-O 2.99Å; C58-L70 WeakPolarHBondContact SG-CD1 3.39Å; F60-L70 WeakPolarHBondContact O-CA 3.43Å; S61-L70 WeakPolarHBondContact OG-CD1 3.36Å; L70-L72 HydrophobicContact CD2-CD1 4.31Å; L70-L72 HydrophobicContact CD2-CD2 3.85Å; L70-L72 HydrophobicContact CD2-CG 3.97Å; L70-L72 HydrophobicContact CG-CD2 4.12Å; L70-L72 HydrophobicContact CG-CG 4.37Å; L70-L83 HydrophobicContact CD2-CD1 4Å; L70-F87 HydrophobicContact CB-CZ 3.91Å; L70-F87 HydrophobicContact CD2-CE2 4.44Å; L70-F87 HydrophobicContact CD2-CZ 4.39Å |
| 71 | T | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.3 | 166.7 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | I8 L10 I59 F60 M222 | I8-T71 HydrophobicContact CB-CG2 4.04Å; I8-T71 HydrophobicContact CG2-CG2 4.1Å; I8-T71 CarbonylContact O-C 3.44Å; I8-T71 WeakPolarHBondContact O-CA 3.42Å; L10-T71 HydrophobicContact CD1-CG2 3.89Å; L10-T71 HydrophobicContact CG-CG2 4.24Å; I59-T71 HydrophobicContact CD1-CG2 3.92Å; I59-T71 PolarHBondContact N-O 3.45Å; I59-T71 VanDerWaalsContact N-O 3.13Å; F60-T71 PolarHBondContact O-N 2.8Å; T71-M222 HydrophobicContact CG2-CE 3.78Å; T71-M222 HydrophobicContact CG2-SD 4.15Å; T71-M222 PolarHBondContact OG1-SD 3.01Å |
| 72 | L | 93.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.1 | 178.2 | -60.9 | -176 | 0 | 0 | 0 | 111.6 | I8 L10 E57 C58 L70 P75 L83 | I8-L72 PolarHBondContact O-N 2.98Å; L10-L72 WeakPolarHBondContact CB-O 3.49Å; L10-L72 PolarHBondContact N-O 3.06Å; E57-L72 CarbonylContact O-C 3.53Å; E57-L72 WeakPolarHBondContact O-CA 3.4Å; C58-L72 HydrophobicContact CB-CD2 3.84Å; L70-L72 HydrophobicContact CD2-CD1 4.31Å; L70-L72 HydrophobicContact CD2-CD2 3.85Å; L70-L72 HydrophobicContact CD2-CG 3.97Å; L70-L72 HydrophobicContact CG-CD2 4.12Å; L70-L72 HydrophobicContact CG-CG 4.37Å; L72-P75 HydrophobicContact CB-CB 4.18Å; L72-P75 HydrophobicContact CB-CG 3.93Å; L72-P75 HydrophobicContact CD1-CB 4.02Å; L72-P75 HydrophobicContact CD1-CG 4.15Å; L72-L83 HydrophobicContact CD1-CB 4.16Å; L72-L83 HydrophobicContact CD1-CD2 3.93Å |
| 73 | C | 91.9 | Very high | 90.1 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.5 | 170.5 | -162.4 | 0 | 0 | 0 | 0 | 109.7 | E57 I59 P75 Y230 | E57-C73 PolarHBondContact O-N 3.16Å; I59-C73 HydrophobicContact CD1-CB 3.66Å; I59-C73 HydrophobicContact CG1-CB 3.76Å; C73-P75 VanDerWaalsContact C-N 3.27Å; C73-Y230 WeakPolarHBondContact SG-CE2 3.43Å |
| 74 | R | 91.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 32.2 Ų | 32.2 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 44.5 | 44.4 | 169.8 | -61.4 | 171.8 | 59 | 78.2 | 11.5 | 113.7 | L10 E12 P118 Y230 S231 | L10-R74 WeakPolarHBondContact O-CA 3.18Å; L10-R74 PolarHBondContact O-N 3.13Å; E12-R74 VanDerWaalsContact CD-CZ 3.5Å; E12-R74 VanDerWaalsContact CD-NH2 3.27Å; E12-R74 IonicContact OE1-CZ 3.49Å; E12-R74 IonicContact OE1-NE 2.67Å; E12-R74 IonicContact OE1-NH1 3.33Å; E12-R74 PolarHBondContact OE1-NH1 2.69Å; E12-R74 IonicContact OE1-NH2 2.92Å; E12-R74 PolarHBondContact OE1-NH2 3.01Å; E12-R74 IonicContact OE2-CZ 3.47Å; E12-R74 IonicContact OE2-NH1 2.7Å; E12-R74 PolarHBondContact OE2-NH1 3.33Å; E12-R74 IonicContact OE2-NH2 2.86Å; E12-R74 PolarHBondContact OE2-NH2 2.67Å; R74-P118 HydrophobicContact CB-CG 3.86Å; R74-P118 WeakPolarHBondContact O-CD 3.38Å; R74-P118 WeakPolarHBondContact O-CG 3.15Å; R74-Y230 WeakPolarHBondContact CD-O 3.48Å; R74-Y230 HydrophobicContact CG-CE1 3.8Å; R74-Y230 HydrophobicContact CG-CE2 4.39Å; R74-S231 VanDerWaalsContact NH1-CB 3.3Å |
| 75 | P | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -67.3 | 142.2 | -170 | 28.5 | -37 | 0 | 0 | 0 | 112.2 | V9 L72 C73 I80 L117 | V9-P75 HydrophobicContact CG1-CG 3.88Å; L72-P75 HydrophobicContact CB-CB 4.18Å; L72-P75 HydrophobicContact CB-CG 3.93Å; L72-P75 HydrophobicContact CD1-CB 4.02Å; L72-P75 HydrophobicContact CD1-CG 4.15Å; C73-P75 VanDerWaalsContact C-N 3.27Å; P75-I80 HydrophobicContact CB-CD1 4.28Å; P75-I80 HydrophobicContact CB-CG1 4.33Å; P75-I80 HydrophobicContact CG-CD1 3.62Å; P75-I80 HydrophobicContact CG-CG1 4.06Å; P75-L117 HydrophobicContact CG-CD2 4.18Å | ||
| 76 | S | 86.5 | Confident | 91 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | trans | -69 | 172.1 | 171 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | E57 S78 G79 I80 | E57-S76 WeakPolarHBondContact OE1-CB 3.5Å; E57-S76 PolarHBondContact OE1-N 2.72Å; E57-S76 PolarHBondContact OE1-OG 3.4Å; S76-S78 PolarHBondContact O-N 2.82Å; S76-S78 PolarHBondContact OG-OG 2.69Å; S76-S78 VanDerWaalsContact OG-OG 3.11Å; S76-G79 PolarHBondContact O-N 2.92Å; S76-G79 VanDerWaalsContact O-N 3.14Å; S76-G79 PolarHBondContact OG-N 3.03Å; S76-I80 PolarHBondContact O-N 2.59Å | ||
| 77 | S | 85.1 | Confident | 91.3 | Very high | 17 Ų | 17 | 24 Ų | 24 | 12% | 0.119 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56 | -36.1 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | T81 | S77-T81 WeakPolarHBondContact O-CB 3.28Å; S77-T81 PolarHBondContact O-N 2.77Å; S77-T81 PolarHBondContact O-OG1 3.27Å |
| 78 | S | 84.7 | Confident | 91.4 | Very high | 73 Ų | 73 | 24 Ų | 24 | 51% | 0.51 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -72.4 | -40.3 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | S76 I80 T81 S82 | S76-S78 PolarHBondContact O-N 2.82Å; S76-S78 PolarHBondContact OG-OG 2.69Å; S76-S78 VanDerWaalsContact OG-OG 3.11Å; S78-I80 PolarHBondContact O-N 3.19Å; S78-T81 PolarHBondContact O-N 3.11Å; S78-T81 VanDerWaalsContact O-N 3.17Å; S78-S82 WeakPolarHBondContact O-CB 3.35Å; S78-S82 PolarHBondContact O-N 3.11Å; S78-S82 PolarHBondContact O-OG 2.86Å |
| 79 | G | 89.4 | Confident | 91.4 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 12% | 0.124 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | E57 S76 L83 | E57-G79 WeakPolarHBondContact OE2-CA 3.47Å; S76-G79 PolarHBondContact O-N 2.92Å; S76-G79 VanDerWaalsContact O-N 3.14Å; S76-G79 PolarHBondContact OG-N 3.03Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 2.94Å |
| 80 | I | 92.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 173 | -67.5 | -63.3 | 0 | 0 | 0 | 111.9 | V9 P75 S76 S78 L83 L84 L117 F120 L122 | V9-I80 HydrophobicContact CG1-CD1 4.03Å; V9-I80 HydrophobicContact CG2-CD1 4.31Å; P75-I80 HydrophobicContact CB-CD1 4.28Å; P75-I80 HydrophobicContact CB-CG1 4.33Å; P75-I80 HydrophobicContact CG-CD1 3.62Å; P75-I80 HydrophobicContact CG-CG1 4.06Å; S76-I80 PolarHBondContact O-N 2.59Å; S78-I80 PolarHBondContact O-N 3.19Å; I80-L83 HydrophobicContact CD1-CD2 4.48Å; I80-L83 WeakPolarHBondContact O-CB 3.32Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.29Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.99Å; I80-L117 HydrophobicContact CD1-CD1 3.88Å; I80-L117 HydrophobicContact CG1-CD1 3.53Å; I80-F120 HydrophobicContact CB-CE1 4.28Å; I80-F120 HydrophobicContact CG1-CD1 4.4Å; I80-F120 HydrophobicContact CG1-CE1 4.49Å; I80-F120 HydrophobicContact CG2-CE1 4.07Å; I80-L122 HydrophobicContact CG2-CD1 4.2Å; I80-L122 HydrophobicContact CG2-CD2 4.1Å |
| 81 | T | 90.2 | Very high | 91 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | S77 S78 L83 L84 T85 F130 | S77-T81 WeakPolarHBondContact O-CB 3.28Å; S77-T81 PolarHBondContact O-N 2.77Å; S77-T81 PolarHBondContact O-OG1 3.27Å; S78-T81 PolarHBondContact O-N 3.11Å; S78-T81 VanDerWaalsContact O-N 3.17Å; T81-L83 PolarHBondContact O-N 3.36Å; T81-L84 PolarHBondContact O-N 2.93Å; T81-L84 VanDerWaalsContact O-N 3.17Å; T81-T85 PolarHBondContact O-N 3.01Å; T81-T85 PolarHBondContact O-OG1 3.18Å; T81-T85 VanDerWaalsContact O-OG1 3.08Å; T81-F130 HydrophobicContact CG2-CD2 4.4Å; T81-F130 HydrophobicContact CG2-CE2 3.76Å |
| 82 | S | 90.9 | Very high | 90.6 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.4 | -65.3 | 0 | 0 | 0 | 0 | 113 | S78 N86 | S78-S82 WeakPolarHBondContact O-CB 3.35Å; S78-S82 PolarHBondContact O-N 3.11Å; S78-S82 PolarHBondContact O-OG 2.86Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 3.34Å; S82-N86 VanDerWaalsContact O-N 3.1Å; S82-N86 PolarHBondContact O-ND2 3.05Å |
| 83 | L | 94.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -52.6 | 171.1 | 162.1 | 61.5 | 0 | 0 | 0 | 110.6 | A7 V9 L70 L72 G79 I80 T81 N86 F87 | A7-L83 HydrophobicContact CB-CD1 3.65Å; A7-L83 HydrophobicContact CB-CD2 4.05Å; V9-L83 HydrophobicContact CG2-CD2 3.86Å; L70-L83 HydrophobicContact CD2-CD1 4Å; L72-L83 HydrophobicContact CD1-CB 4.16Å; L72-L83 HydrophobicContact CD1-CD2 3.93Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 2.94Å; I80-L83 HydrophobicContact CD1-CD2 4.48Å; I80-L83 WeakPolarHBondContact O-CB 3.32Å; I80-L83 PolarHBondContact O-N 3.43Å; T81-L83 PolarHBondContact O-N 3.36Å; L83-N86 PolarHBondContact O-N 3.4Å; L83-F87 HydrophobicContact CD1-CB 4.32Å; L83-F87 HydrophobicContact CD1-CD1 3.67Å; L83-F87 HydrophobicContact CD1-CD2 3.7Å; L83-F87 HydrophobicContact CD1-CE1 3.86Å; L83-F87 HydrophobicContact CD1-CE2 3.9Å; L83-F87 HydrophobicContact CD1-CG 3.61Å; L83-F87 HydrophobicContact CD1-CZ 3.98Å; L83-F87 VanDerWaalsContact O-CB 3.26Å; L83-F87 WeakPolarHBondContact O-CB 3.43Å; L83-F87 PolarHBondContact O-N 3.19Å |
| 84 | L | 94.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | -175.8 | -66.7 | 173.7 | 0 | 0 | 0 | 112.3 | I80 T81 F87 L88 L102 F126 L127 F130 | I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.29Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.99Å; T81-L84 PolarHBondContact O-N 2.93Å; T81-L84 VanDerWaalsContact O-N 3.17Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-L88 HydrophobicContact CB-CD1 4.2Å; L84-L88 HydrophobicContact CD2-CD1 4.07Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.73Å; L84-L102 HydrophobicContact CD2-CD1 3.93Å; L84-F126 HydrophobicContact CD1-CE1 4.45Å; L84-L127 HydrophobicContact CD1-CD1 3.94Å; L84-L127 HydrophobicContact CD2-CD1 3.84Å; L84-L127 HydrophobicContact CG-CD1 4.49Å; L84-F130 HydrophobicContact CB-CD1 3.75Å; L84-F130 HydrophobicContact CB-CE1 3.33Å; L84-F130 HydrophobicContact CB-CZ 3.88Å; L84-F130 HydrophobicContact CD1-CD1 4.19Å; L84-F130 HydrophobicContact CD1-CG 4.48Å |
| 85 | T | 92.9 | Very high | 89.5 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 37% | 0.368 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.8 | -55 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | T81 F87 Q89 F130 | T81-T85 PolarHBondContact O-N 3.01Å; T81-T85 PolarHBondContact O-OG1 3.18Å; T81-T85 VanDerWaalsContact O-OG1 3.08Å; T85-F87 VanDerWaalsContact C-N 3.34Å; T85-F87 PolarHBondContact O-N 3.32Å; T85-Q89 PolarHBondContact O-N 2.9Å; T85-F130 WeakPolarHBondContact OG1-CZ 3.41Å |
| 86 | N | 92.5 | Very high | 89.5 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | -176.8 | -71.4 | -25.8 | 0 | 0 | 0 | 112 | R5 S82 L83 | R5-N86 PolarHBondContact NH1-O 3.43Å; R5-N86 PolarHBondContact NH2-O 3.3Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 3.34Å; S82-N86 VanDerWaalsContact O-N 3.1Å; S82-N86 PolarHBondContact O-ND2 3.05Å; L83-N86 PolarHBondContact O-N 3.4Å |
| 87 | F | 94.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -84.2 | -33.8 | -171.6 | -84.2 | -139.2 | 0 | 0 | 0 | 113.6 | R5 A7 E68 L70 L83 L84 T85 V100 L102 | R5-F87 HydrophobicContact CB-CD1 3.63Å; R5-F87 HydrophobicContact CB-CE1 3.73Å; R5-F87 HydrophobicContact CB-CG 4.06Å; R5-F87 HydrophobicContact CB-CZ 4.24Å; R5-F87 WeakPolarHBondContact CD-O 3.37Å; R5-F87 PolarHBondContact NH1-O 3.12Å; A7-F87 HydrophobicContact CB-CD1 4.2Å; A7-F87 HydrophobicContact CB-CE1 3.66Å; A7-F87 HydrophobicContact CB-CZ 4.33Å; E68-F87 HydrophobicContact CG-CE2 4.14Å; E68-F87 HydrophobicContact CG-CZ 4.17Å; L70-F87 HydrophobicContact CB-CZ 3.91Å; L70-F87 HydrophobicContact CD2-CE2 4.44Å; L70-F87 HydrophobicContact CD2-CZ 4.39Å; L83-F87 HydrophobicContact CD1-CB 4.32Å; L83-F87 HydrophobicContact CD1-CD1 3.67Å; L83-F87 HydrophobicContact CD1-CD2 3.7Å; L83-F87 HydrophobicContact CD1-CE1 3.86Å; L83-F87 HydrophobicContact CD1-CE2 3.9Å; L83-F87 HydrophobicContact CD1-CG 3.61Å; L83-F87 HydrophobicContact CD1-CZ 3.98Å; L83-F87 VanDerWaalsContact O-CB 3.26Å; L83-F87 WeakPolarHBondContact O-CB 3.43Å; L83-F87 PolarHBondContact O-N 3.19Å; L84-F87 PolarHBondContact O-N 2.89Å; T85-F87 VanDerWaalsContact C-N 3.34Å; T85-F87 PolarHBondContact O-N 3.32Å; F87-V100 HydrophobicContact CB-CG1 4.11Å; F87-V100 HydrophobicContact CD1-CG1 4.28Å; F87-V100 WeakPolarHBondContact O-CG2 3.41Å; F87-L102 HydrophobicContact CD1-CD2 4.33Å |
| 88 | L | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -91.2 | -4.4 | -179.4 | -60.6 | 169.9 | 0 | 0 | 0 | 113.5 | L84 V100 L127 F130 I131 L134 F184 | L84-L88 HydrophobicContact CB-CD1 4.2Å; L84-L88 HydrophobicContact CD2-CD1 4.07Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.73Å; L88-V100 HydrophobicContact CD2-CB 4.49Å; L88-V100 HydrophobicContact CD2-CG1 4.22Å; L88-V100 HydrophobicContact CD2-CG2 4.28Å; L88-L127 HydrophobicContact CD1-CD1 4.05Å; L88-F130 HydrophobicContact CD1-CD1 4.18Å; L88-F130 HydrophobicContact CD1-CE1 4.19Å; L88-I131 HydrophobicContact CD1-CD1 4.19Å; L88-I131 HydrophobicContact CD1-CG1 3.82Å; L88-L134 HydrophobicContact CB-CD1 3.63Å; L88-L134 HydrophobicContact CD1-CD1 4.39Å; L88-F184 HydrophobicContact CD2-CE1 4.16Å; L88-F184 HydrophobicContact CD2-CZ 4.43Å |
| 89 | Q | 91.5 | Very high | 90.6 | Very high | 96 Ų | 96 | 44.7 Ų | 44.7 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -52.2 | 124.4 | 172.6 | -172.3 | -174.1 | 46.2 | 0 | 0 | 110.7 | R5 T85 L98 | R5-Q89 PolarHBondContact NH1-O 2.76Å; T85-Q89 PolarHBondContact O-N 2.9Å; Q89-L98 WeakPolarHBondContact O-CD2 3.29Å |
| 90 | P | 88.3 | Confident | 90.9 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 149.6 | -173.4 | 31.2 | -37.5 | 0 | 0 | 0 | 111.6 | H138 I179 | P90-H138 WeakPolarHBondContact CD-CD2 3.47Å; P90-H138 HydrophobicContact CG-CB 4.12Å; P90-I179 HydrophobicContact CB-CG2 4.23Å; P90-I179 HydrophobicContact CG-CG2 3.86Å |
| 91 | P | 88.3 | Confident | 91.1 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 141.6 | 171 | -21 | 33.8 | 0 | 0 | 0 | 111.8 | N93 V96 L98 | P91-N93 PolarHBondContact O-N 3.39Å; P91-V96 HydrophobicContact CB-CB 3.78Å; P91-V96 HydrophobicContact CB-CG1 3.93Å; P91-V96 HydrophobicContact CG-CB 4.13Å; P91-V96 HydrophobicContact CG-CG1 3.94Å; P91-L98 HydrophobicContact CG-CB 3.88Å |
| 92 | K | 84.2 | Confident | 91.3 | Very high | 212 Ų | 212 | 42.8 Ų | 42.8 | 92% | 0.922 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -62.2 | -25.7 | 173.5 | -64.5 | -174.7 | 179.1 | -177.3 | 0 | 113.4 | ||
| 93 | N | 84 | Confident | 91.6 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 59% | 0.588 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -107.5 | 121.8 | -177.3 | -65.6 | -9.4 | 0 | 0 | 0 | 110.2 | P91 D95 V96 | P91-N93 PolarHBondContact O-N 3.39Å; N93-D95 PolarHBondContact O-N 3.48Å; N93-V96 HydrophobicContact CB-CG2 3.96Å; N93-V96 PolarHBondContact O-N 2.87Å; N93-V96 VanDerWaalsContact O-N 3.08Å |
| 94 | S | 83.4 | Confident | 91.6 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.8 | 178.4 | 56 | 0 | 0 | 0 | 0 | 113.7 | V96 K151 | S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.26Å; S94-K151 PolarHBondContact O-N 2.87Å |
| 95 | D | 86.8 | Confident | 91.6 | Very high | 94 Ų | 94 | 39 Ų | 39 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6.3 | 179.9 | -106.3 | -41.3 | 0 | 0 | 0 | 115.5 | N93 K151 | N93-D95 PolarHBondContact O-N 3.48Å; D95-K151 WeakPolarHBondContact O-CD 3.23Å; D95-K151 PolarHBondContact O-NZ 3.46Å; D95-K151 WeakPolarHBondContact OD1-CE 3.32Å; D95-K151 IonicContact OD1-NZ 2.59Å; D95-K151 PolarHBondContact OD1-NZ 3.49Å |
| 96 | V | 90.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | trans | -104.9 | 125.2 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | V3 P91 N93 S94 | V3-V96 HydrophobicContact CB-CG1 4.48Å; V3-V96 HydrophobicContact CG2-CG1 3.9Å; P91-V96 HydrophobicContact CB-CB 3.78Å; P91-V96 HydrophobicContact CB-CG1 3.93Å; P91-V96 HydrophobicContact CG-CB 4.13Å; P91-V96 HydrophobicContact CG-CG1 3.94Å; N93-V96 HydrophobicContact CB-CG2 3.96Å; N93-V96 PolarHBondContact O-N 2.87Å; N93-V96 VanDerWaalsContact O-N 3.08Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.26Å | ||
| 97 | T | 91.3 | Very high | 91.5 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.3 | 167.1 | -55 | 0 | 0 | 0 | 0 | 108.7 | M1 A2 V3 R154 | M1-T97 PolarHBondContact O-N 2.93Å; A2-T97 CarbonylContact C-O 3.55Å; A2-T97 WeakPolarHBondContact CA-O 3.49Å; V3-T97 PolarHBondContact N-O 3.47Å; V3-T97 VanDerWaalsContact N-O 3.11Å; T97-R154 HydrophobicContact CG2-CG 4.27Å |
| 98 | L | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.8 | 170.9 | 179.2 | 62.2 | 0 | 0 | 0 | 109.2 | V3 R5 Q89 P91 V100 I153 R154 | V3-L98 HydrophobicContact CB-CD1 4.02Å; V3-L98 HydrophobicContact CG1-CD1 3.95Å; R5-L98 HydrophobicContact CG-CD1 4.18Å; Q89-L98 WeakPolarHBondContact O-CD2 3.29Å; P91-L98 HydrophobicContact CG-CB 3.88Å; L98-V100 HydrophobicContact CD1-CG2 4.36Å; L98-V100 HydrophobicContact CD2-CG2 3.95Å; L98-V100 HydrophobicContact CG-CG2 3.79Å; L98-I153 HydrophobicContact CB-CG1 4.28Å; L98-I153 HydrophobicContact CD2-CG1 4.29Å; L98-I153 HydrophobicContact CD2-CG2 4.34Å; L98-I153 CarbonylContact O-C 3.3Å; L98-I153 WeakPolarHBondContact O-CA 3.42Å; L98-R154 PolarHBondContact O-N 2.86Å |
| 99 | N | 94.5 | Very high | 91.2 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.6 | 169.3 | -50.9 | -60.9 | 0 | 0 | 0 | 108.4 | V3 T4 R5 R154 | V3-N99 PolarHBondContact O-N 2.87Å; T4-N99 WeakPolarHBondContact CA-O 3.45Å; T4-N99 HydrophobicContact CG2-CB 4.13Å; T4-N99 PolarHBondContact OG1-ND2 3.38Å; R5-N99 PolarHBondContact N-O 2.64Å; N99-R154 WeakPolarHBondContact OD1-CD 3.24Å |
| 100 | V | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.6 | 174.6 | -176 | 0 | 0 | 0 | 0 | 108.1 | R5 F87 L88 L98 L102 I153 R154 L155 H156 | R5-V100 CarbonylContact O-C 3.6Å; R5-V100 WeakPolarHBondContact O-CA 3.48Å; F87-V100 HydrophobicContact CB-CG1 4.11Å; F87-V100 HydrophobicContact CD1-CG1 4.28Å; F87-V100 WeakPolarHBondContact O-CG2 3.41Å; L88-V100 HydrophobicContact CD2-CB 4.49Å; L88-V100 HydrophobicContact CD2-CG1 4.22Å; L88-V100 HydrophobicContact CD2-CG2 4.28Å; L98-V100 HydrophobicContact CD1-CG2 4.36Å; L98-V100 HydrophobicContact CD2-CG2 3.95Å; L98-V100 HydrophobicContact CG-CG2 3.79Å; V100-L102 HydrophobicContact CG1-CD2 4.03Å; V100-L102 HydrophobicContact CG1-CG 4.31Å; V100-I153 HydrophobicContact CG2-CG2 4.2Å; V100-R154 PolarHBondContact N-O 3.4Å; V100-L155 HydrophobicContact CB-CD1 4.02Å; V100-L155 HydrophobicContact CG1-CD1 3.91Å; V100-L155 CarbonylContact O-C 3.51Å; V100-L155 WeakPolarHBondContact O-CA 3.41Å; V100-H156 PolarHBondContact O-N 3.14Å |
| 101 | I | 95.4 | Very high | 91 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 106.9 | -171.5 | -60.8 | 180 | 0 | 0 | 0 | 108.4 | R5 I6 A7 F37 I103 H156 | R5-I101 PolarHBondContact O-N 2.86Å; I6-I101 CarbonylContact C-O 3.57Å; I6-I101 WeakPolarHBondContact CA-O 3.42Å; A7-I101 PolarHBondContact N-O 3.21Å; F37-I101 HydrophobicContact CB-CD1 3.74Å; F37-I101 HydrophobicContact CD1-CD1 4.42Å; F37-I101 HydrophobicContact CD2-CD1 3.18Å; F37-I101 HydrophobicContact CD2-CG1 4.38Å; F37-I101 HydrophobicContact CD2-CG2 4.35Å; F37-I101 HydrophobicContact CE1-CG2 4.48Å; F37-I101 HydrophobicContact CE2-CB 4.19Å; F37-I101 HydrophobicContact CE2-CD1 3.71Å; F37-I101 HydrophobicContact CE2-CG2 3.78Å; F37-I101 HydrophobicContact CG-CD1 3.54Å; F37-I101 HydrophobicContact CZ-CG2 3.83Å; I101-I103 HydrophobicContact CG2-CD1 4.05Å; I101-I103 HydrophobicContact CG2-CG1 4.37Å; I101-H156 HydrophobicContact CB-CB 4.48Å; I101-H156 HydrophobicContact CG1-CB 4.03Å; I101-H156 HydrophobicContact CG2-CB 4.32Å |
| 102 | L | 96.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119.8 | -180 | -50.5 | -179.3 | 0 | 0 | 0 | 108.3 | A7 L84 F87 V100 W115 L155 H156 I157 G158 | A7-L102 HydrophobicContact CB-CD2 3.91Å; L84-L102 HydrophobicContact CD2-CD1 3.93Å; F87-L102 HydrophobicContact CD1-CD2 4.33Å; V100-L102 HydrophobicContact CG1-CD2 4.03Å; V100-L102 HydrophobicContact CG1-CG 4.31Å; L102-W115 HydrophobicContact CB-CH2 4.09Å; L102-L155 HydrophobicContact CD1-CD1 4.13Å; L102-L155 HydrophobicContact CG-CD1 4.19Å; L102-H156 PolarHBondContact N-O 2.65Å; L102-I157 WeakPolarHBondContact O-CA 3.15Å; L102-G158 PolarHBondContact O-N 2.87Å |
| 103 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.4 | 174.8 | -52.9 | -60.8 | 0 | 0 | 0 | 107.8 | A7 I8 V9 L30 I101 G158 | A7-I103 PolarHBondContact O-N 2.9Å; I8-I103 CarbonylContact C-O 3.14Å; I8-I103 WeakPolarHBondContact CA-O 3.14Å; I8-I103 HydrophobicContact CG1-CB 4.31Å; V9-I103 PolarHBondContact N-O 2.79Å; L30-I103 HydrophobicContact CD2-CD1 4.02Å; L30-I103 HydrophobicContact CD2-CG1 3.65Å; L30-I103 HydrophobicContact CG-CD1 4.37Å; L30-I103 HydrophobicContact CG-CG1 4.06Å; L30-I103 HydrophobicContact CG-CG2 4.34Å; I101-I103 HydrophobicContact CG2-CD1 4.05Å; I101-I103 HydrophobicContact CG2-CG1 4.37Å; I103-G158 WeakPolarHBondContact CA-O 3.25Å |
| 104 | Y | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.6 | 173.6 | -179.4 | -94.2 | 0 | 0 | 0 | 111.4 | V9 G106 L107 L108 W115 L116 L117 G158 | V9-Y104 HydrophobicContact CB-CD2 4.03Å; V9-Y104 HydrophobicContact CG1-CD2 3.78Å; V9-Y104 HydrophobicContact CG1-CE2 4.11Å; V9-Y104 WeakPolarHBondContact O-CA 3.46Å; V9-Y104 WeakPolarHBondContact O-CD2 3.48Å; Y104-G106 WeakPolarHBondContact CE1-O 3.5Å; Y104-L107 WeakPolarHBondContact CE1-O 3.43Å; Y104-L107 PolarHBondContact OH-N 2.76Å; Y104-L107 PolarHBondContact OH-O 3.05Å; Y104-L108 HydrophobicContact CD1-CD2 3.7Å; Y104-L108 HydrophobicContact CD1-CG 4.23Å; Y104-L108 HydrophobicContact CE1-CD2 3.63Å; Y104-L108 HydrophobicContact CE1-CG 3.92Å; Y104-W115 VanDerWaalsContact CB-CZ2 3.47Å; Y104-W115 HydrophobicContact CD1-CB 4.26Å; Y104-W115 AromaticContact CD1-CD1 3.7Å; Y104-W115 HydrophobicContact CD1-CD2 4.14Å; Y104-W115 AromaticContact CD1-CG 3.79Å; Y104-W115 HydrophobicContact CD1-CG 3.79Å; Y104-W115 HydrophobicContact CD2-CB 3.87Å; Y104-W115 AromaticContact CD2-CD2 3.46Å; Y104-W115 HydrophobicContact CD2-CD2 3.46Å; Y104-W115 VanDerWaalsContact CD2-CD2 3.46Å; Y104-W115 AromaticContact CD2-CE3 3.45Å; Y104-W115 HydrophobicContact CD2-CE3 3.45Å; Y104-W115 VanDerWaalsContact CD2-CE3 3.45Å; Y104-W115 AromaticContact CD2-CG 3.65Å; Y104-W115 HydrophobicContact CD2-CG 3.65Å; Y104-W115 HydrophobicContact CD2-CZ3 4.18Å; Y104-W115 HydrophobicContact CE1-CB 4.01Å; Y104-W115 HydrophobicContact CE1-CG 4.05Å; Y104-W115 HydrophobicContact CE2-CB 3.63Å; Y104-W115 HydrophobicContact CE2-CD2 4.18Å; Y104-W115 HydrophobicContact CE2-CE3 4.23Å; Y104-W115 AromaticContact CE2-CG 3.94Å; Y104-W115 HydrophobicContact CE2-CG 3.94Å; Y104-W115 HydrophobicContact CG-CB 4.17Å; Y104-W115 AromaticContact CG-CD1 3.8Å; Y104-W115 AromaticContact CG-CD2 3.43Å; Y104-W115 HydrophobicContact CG-CD2 3.43Å; Y104-W115 VanDerWaalsContact CG-CD2 3.43Å; Y104-W115 AromaticContact CG-CE2 3.69Å; Y104-W115 AromaticContact CG-CE3 3.84Å; Y104-W115 HydrophobicContact CG-CE3 3.84Å; Y104-W115 AromaticContact CG-CG 3.56Å; Y104-W115 HydrophobicContact CG-CG 3.56Å; Y104-W115 HydrophobicContact CG-CZ2 4.3Å; Y104-W115 HydrophobicContact CG-CZ3 4.44Å; Y104-W115 AromaticContact CG-NE1 3.88Å; Y104-L116 PolarHBondContact OH-N 2.97Å; Y104-L116 PolarHBondContact OH-O 2.87Å; Y104-L117 HydrophobicContact CE2-CD2 4.03Å; Y104-G158 PolarHBondContact N-O 3.36Å |
| 105 | A | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V9 L10 G11 L22 D25 V26 | V9-A105 PolarHBondContact O-N 2.88Å; L10-A105 CarbonylContact C-O 3.5Å; L10-A105 WeakPolarHBondContact CA-O 3.36Å; L10-A105 HydrophobicContact CD2-CB 4.21Å; G11-A105 PolarHBondContact N-O 2.75Å; L22-A105 HydrophobicContact CD2-CB 4.13Å; D25-A105 HydrophobicContact CB-CB 3.92Å; D25-A105 WeakPolarHBondContact OD2-CA 3.44Å; D25-A105 WeakPolarHBondContact OD2-CB 3.31Å; V26-A105 HydrophobicContact CG2-CB 3.5Å |
| 106 | G | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 110.8 | -167.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E12 D25 Y104 L108 F354 | E12-G106 WeakPolarHBondContact O-CA 3.17Å; D25-G106 PolarHBondContact OD2-N 3.21Å; Y104-G106 WeakPolarHBondContact CE1-O 3.5Å; G106-L108 PolarHBondContact O-N 3.45Å; G106-F354 VanDerWaalsContact O-CB 3.27Å; G106-F354 WeakPolarHBondContact O-CB 3.38Å |
| 107 | L | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -62.6 | 132.8 | -163.9 | -72.1 | -176.5 | 0 | 0 | 0 | 115.4 | E12 L14 Y104 L116 F354 V356 | E12-L107 HydrophobicContact CB-CB 4.18Å; E12-L107 HydrophobicContact CB-CD1 3.81Å; E12-L107 HydrophobicContact CB-CG 4.16Å; E12-L107 WeakPolarHBondContact O-CG 3.37Å; E12-L107 PolarHBondContact O-N 3.24Å; L14-L107 HydrophobicContact CB-CD2 4.39Å; L14-L107 HydrophobicContact CD1-CD2 4.05Å; L14-L107 HydrophobicContact CD2-CD1 4.14Å; L14-L107 HydrophobicContact CG-CD1 3.81Å; L14-L107 HydrophobicContact CG-CD2 3.73Å; L14-L107 HydrophobicContact CG-CG 4.4Å; Y104-L107 WeakPolarHBondContact CE1-O 3.43Å; Y104-L107 PolarHBondContact OH-N 2.76Å; Y104-L107 PolarHBondContact OH-O 3.05Å; L107-L116 HydrophobicContact CB-CB 3.81Å; L107-L116 HydrophobicContact CB-CD2 3.84Å; L107-L116 HydrophobicContact CB-CG 4.39Å; L107-L116 HydrophobicContact CD1-CD2 4.38Å; L107-L116 WeakPolarHBondContact O-CB 3.38Å; L107-L116 PolarHBondContact O-N 2.85Å; L107-F354 CarbonylContact C-O 3.58Å; L107-F354 WeakPolarHBondContact CA-O 3.34Å; L107-F354 HydrophobicContact CD2-CB 4.31Å; L107-V356 HydrophobicContact CD1-CG2 4.29Å; L107-V356 HydrophobicContact CD2-CG2 4.13Å | ||
| 108 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.6 | -179.3 | -68.9 | 164 | 0 | 0 | 0 | 110.5 | Y104 G106 D110 A113 I159 A161 V162 F354 T355 V356 | Y104-L108 HydrophobicContact CD1-CD2 3.7Å; Y104-L108 HydrophobicContact CD1-CG 4.23Å; Y104-L108 HydrophobicContact CE1-CD2 3.63Å; Y104-L108 HydrophobicContact CE1-CG 3.92Å; G106-L108 PolarHBondContact O-N 3.45Å; L108-D110 PolarHBondContact O-N 3Å; L108-A113 HydrophobicContact CD2-CB 4.46Å; L108-A113 WeakPolarHBondContact CD2-O 3.29Å; L108-I159 HydrophobicContact CD1-CG2 3.36Å; L108-I159 HydrophobicContact CD2-CG2 3.86Å; L108-I159 HydrophobicContact CG-CG2 4.27Å; L108-A161 HydrophobicContact CD1-CB 4.18Å; L108-V162 HydrophobicContact CB-CG2 4.35Å; L108-V162 HydrophobicContact CD1-CB 4.26Å; L108-V162 HydrophobicContact CD1-CG2 3.69Å; L108-F354 PolarHBondContact N-O 2.81Å; L108-T355 CarbonylContact O-C 3.59Å; L108-T355 WeakPolarHBondContact O-CA 3.41Å; L108-V356 PolarHBondContact O-N 3.17Å |
| 109 | S | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 128.8 | 163.8 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | S112 A113 H114 | S109-S112 VanDerWaalsContact CB-OG 3.27Å; S109-S112 WeakPolarHBondContact CB-OG 3.44Å; S109-S112 PolarHBondContact OG-OG 2.9Å; S109-A113 VanDerWaalsContact O-CA 3.31Å; S109-A113 WeakPolarHBondContact O-CA 3.33Å; S109-A113 PolarHBondContact O-N 2.92Å; S109-A113 PolarHBondContact OG-N 2.82Å; S109-H114 PolarHBondContact N-O 2.82Å; S109-H114 WeakPolarHBondContact OG-CA 3.36Å; S109-H114 VanDerWaalsContact OG-CB 3.28Å; S109-H114 WeakPolarHBondContact OG-CB 3.47Å; S109-H114 PolarHBondContact OG-N 2.81Å; S109-H114 PolarHBondContact OG-O 2.89Å |
| 110 | D | 89.5 | Confident | 91.6 | Very high | 28 Ų | 28 | 8.2 Ų | 8.2 | 15% | 0.15 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.4 | 177.4 | -175.4 | 21.4 | 0 | 0 | 0 | 111.1 | L108 S112 V356 N357 M435 | L108-D110 PolarHBondContact O-N 3Å; D110-S112 PolarHBondContact O-N 2.76Å; D110-V356 PolarHBondContact N-O 3.22Å; D110-N357 HydrophobicContact CB-CB 4.04Å; D110-N357 PolarHBondContact OD2-ND2 2.82Å; D110-M435 VanDerWaalsContact O-CG 3.29Å; D110-M435 WeakPolarHBondContact O-CG 3.5Å |
| 111 | G | 85.8 | Confident | 91.5 | Very high | 12 Ų | 12 | 8.8 Ų | 8.8 | 12% | 0.124 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -58.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G166 P432 T436 | G111-G166 WeakPolarHBondContact O-CA 3.3Å; G111-P432 WeakPolarHBondContact CA-O 3.42Å; G111-T436 VanDerWaalsContact C-CG2 3.48Å |
| 112 | S | 90.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -27.6 | -175.3 | 41.2 | 0 | 0 | 0 | 0 | 114.2 | S109 D110 H114 D167 M435 | S109-S112 VanDerWaalsContact CB-OG 3.27Å; S109-S112 WeakPolarHBondContact CB-OG 3.44Å; S109-S112 PolarHBondContact OG-OG 2.9Å; D110-S112 PolarHBondContact O-N 2.76Å; S112-H114 PolarHBondContact O-N 2.76Å; S112-H114 VanDerWaalsContact O-N 3.16Å; S112-D167 WeakPolarHBondContact CA-OD2 3.25Å; S112-D167 WeakPolarHBondContact CB-OD2 3.46Å; S112-D167 PolarHBondContact O-N 2.59Å; S112-M435 VanDerWaalsContact OG-CB 3.28Å; S112-M435 WeakPolarHBondContact OG-CB 3.43Å |
| 113 | A | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | 56 | 22 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L108 S109 W115 I159 V162 W168 | L108-A113 HydrophobicContact CD2-CB 4.46Å; L108-A113 WeakPolarHBondContact CD2-O 3.29Å; S109-A113 VanDerWaalsContact O-CA 3.31Å; S109-A113 WeakPolarHBondContact O-CA 3.33Å; S109-A113 PolarHBondContact O-N 2.92Å; S109-A113 PolarHBondContact OG-N 2.82Å; A113-W115 VanDerWaalsContact O-CD1 3.29Å; A113-I159 HydrophobicContact CB-CD1 4.38Å; A113-V162 HydrophobicContact CB-CB 4.18Å; A113-V162 HydrophobicContact CB-CG1 3.92Å; A113-W168 PolarHBondContact O-NE1 3.04Å | ||
| 114 | H | 93.9 | Very high | 91 | Very high | 33 Ų | 33 | 10.3 Ų | 10.3 | 15% | 0.153 | 6% | 0.06 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 141.8 | 164.1 | -53.2 | 158.7 | 0 | 0 | 0 | 109.8 | S109 S112 L116 V121 T123 P124 D167 | S109-H114 PolarHBondContact N-O 2.82Å; S109-H114 WeakPolarHBondContact OG-CA 3.36Å; S109-H114 VanDerWaalsContact OG-CB 3.28Å; S109-H114 WeakPolarHBondContact OG-CB 3.47Å; S109-H114 PolarHBondContact OG-N 2.81Å; S109-H114 PolarHBondContact OG-O 2.89Å; S112-H114 PolarHBondContact O-N 2.76Å; S112-H114 VanDerWaalsContact O-N 3.16Å; H114-L116 VanDerWaalsContact O-CD1 3.23Å; H114-L116 WeakPolarHBondContact O-CD1 3.44Å; H114-V121 HydrophobicContact CB-CG1 3.7Å; H114-T123 HydrophobicContact CB-CG2 4.4Å; H114-P124 VanDerWaalsContact CD2-CD 3.47Å; H114-P124 WeakPolarHBondContact CD2-CD 3.46Å; H114-D167 IonicContact NE2-OD2 2.96Å |
| 115 | W | 94.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.3 | -174.4 | -56.7 | -6.9 | 0 | 0 | 0 | 110.3 | V9 L102 Y104 A113 V121 L122 I157 I159 W168 | V9-W115 HydrophobicContact CB-CZ3 4.38Å; V9-W115 HydrophobicContact CG2-CZ3 4.37Å; L102-W115 HydrophobicContact CB-CH2 4.09Å; Y104-W115 VanDerWaalsContact CB-CZ2 3.47Å; Y104-W115 HydrophobicContact CD1-CB 4.26Å; Y104-W115 AromaticContact CD1-CD1 3.7Å; Y104-W115 HydrophobicContact CD1-CD2 4.14Å; Y104-W115 AromaticContact CD1-CG 3.79Å; Y104-W115 HydrophobicContact CD1-CG 3.79Å; Y104-W115 HydrophobicContact CD2-CB 3.87Å; Y104-W115 AromaticContact CD2-CD2 3.46Å; Y104-W115 HydrophobicContact CD2-CD2 3.46Å; Y104-W115 VanDerWaalsContact CD2-CD2 3.46Å; Y104-W115 AromaticContact CD2-CE3 3.45Å; Y104-W115 HydrophobicContact CD2-CE3 3.45Å; Y104-W115 VanDerWaalsContact CD2-CE3 3.45Å; Y104-W115 AromaticContact CD2-CG 3.65Å; Y104-W115 HydrophobicContact CD2-CG 3.65Å; Y104-W115 HydrophobicContact CD2-CZ3 4.18Å; Y104-W115 HydrophobicContact CE1-CB 4.01Å; Y104-W115 HydrophobicContact CE1-CG 4.05Å; Y104-W115 HydrophobicContact CE2-CB 3.63Å; Y104-W115 HydrophobicContact CE2-CD2 4.18Å; Y104-W115 HydrophobicContact CE2-CE3 4.23Å; Y104-W115 AromaticContact CE2-CG 3.94Å; Y104-W115 HydrophobicContact CE2-CG 3.94Å; Y104-W115 HydrophobicContact CG-CB 4.17Å; Y104-W115 AromaticContact CG-CD1 3.8Å; Y104-W115 AromaticContact CG-CD2 3.43Å; Y104-W115 HydrophobicContact CG-CD2 3.43Å; Y104-W115 VanDerWaalsContact CG-CD2 3.43Å; Y104-W115 AromaticContact CG-CE2 3.69Å; Y104-W115 AromaticContact CG-CE3 3.84Å; Y104-W115 HydrophobicContact CG-CE3 3.84Å; Y104-W115 AromaticContact CG-CG 3.56Å; Y104-W115 HydrophobicContact CG-CG 3.56Å; Y104-W115 HydrophobicContact CG-CZ2 4.3Å; Y104-W115 HydrophobicContact CG-CZ3 4.44Å; Y104-W115 AromaticContact CG-NE1 3.88Å; A113-W115 VanDerWaalsContact O-CD1 3.29Å; W115-V121 WeakPolarHBondContact O-CA 3.17Å; W115-L122 HydrophobicContact CB-CB 4.3Å; W115-L122 HydrophobicContact CD2-CD2 4.24Å; W115-L122 HydrophobicContact CE3-CD2 3.56Å; W115-L122 HydrophobicContact CZ3-CD2 3.8Å; W115-L122 PolarHBondContact N-O 3.48Å; W115-L122 VanDerWaalsContact N-O 3.15Å; W115-L122 PolarHBondContact O-N 3.17Å; W115-I157 HydrophobicContact CH2-CG2 4.32Å; W115-I157 HydrophobicContact CZ2-CG2 3.6Å; W115-I159 HydrophobicContact CZ2-CG1 4.48Å; W115-W168 AromaticContact CD1-CE2 3.97Å; W115-W168 AromaticContact CD1-CZ2 3.79Å; W115-W168 AromaticContact CD1-NE1 3.67Å; W115-W168 HydrophobicContact CD2-CH2 4.45Å; W115-W168 AromaticContact CD2-CZ2 3.84Å; W115-W168 HydrophobicContact CD2-CZ2 3.84Å; W115-W168 AromaticContact CE2-CE2 3.95Å; W115-W168 AromaticContact CE2-CZ2 3.56Å; W115-W168 AromaticContact CG-CZ2 3.96Å; W115-W168 HydrophobicContact CG-CZ2 3.96Å; W115-W168 HydrophobicContact CZ2-CH2 4.39Å; W115-W168 HydrophobicContact CZ2-CZ2 4.12Å; W115-W168 AromaticContact NE1-CE2 3.53Å; W115-W168 AromaticContact NE1-CZ2 3.52Å; W115-W168 AromaticContact NE1-NE1 3.37Å |
| 116 | L | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.5 | -179.7 | -75.4 | 54.4 | 0 | 0 | 0 | 109.3 | E12 Y104 L107 H114 I307 L311 V356 | E12-L116 PolarHBondContact N-O 3.39Å; Y104-L116 PolarHBondContact OH-N 2.97Å; Y104-L116 PolarHBondContact OH-O 2.87Å; L107-L116 HydrophobicContact CB-CB 3.81Å; L107-L116 HydrophobicContact CB-CD2 3.84Å; L107-L116 HydrophobicContact CB-CG 4.39Å; L107-L116 HydrophobicContact CD1-CD2 4.38Å; L107-L116 WeakPolarHBondContact O-CB 3.38Å; L107-L116 PolarHBondContact O-N 2.85Å; H114-L116 VanDerWaalsContact O-CD1 3.23Å; H114-L116 WeakPolarHBondContact O-CD1 3.44Å; L116-I307 HydrophobicContact CD1-CG2 3.81Å; L116-I307 HydrophobicContact CD2-CG2 3.72Å; L116-I307 HydrophobicContact CG-CG2 3.65Å; L116-L311 HydrophobicContact CD2-CD1 3.84Å; L116-L311 HydrophobicContact CD2-CD2 4.41Å; L116-L311 HydrophobicContact CG-CD1 4.2Å; L116-V356 HydrophobicContact CD2-CB 4.32Å; L116-V356 HydrophobicContact CD2-CG2 3.76Å |
| 117 | L | 91 | Very high | 90.5 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 163.3 | -180 | -57.6 | 169.4 | 0 | 0 | 0 | 108.1 | V9 P75 I80 Y104 N119 F120 L122 | V9-L117 HydrophobicContact CG1-CD2 4.06Å; P75-L117 HydrophobicContact CG-CD2 4.18Å; I80-L117 HydrophobicContact CD1-CD1 3.88Å; I80-L117 HydrophobicContact CG1-CD1 3.53Å; Y104-L117 HydrophobicContact CE2-CD2 4.03Å; L117-N119 PolarHBondContact O-N 3.36Å; L117-F120 WeakPolarHBondContact CA-O 3.35Å; L117-F120 HydrophobicContact CB-CB 4.24Å; L117-F120 WeakPolarHBondContact CB-O 3.31Å; L117-F120 HydrophobicContact CD1-CD1 3.85Å; L117-F120 PolarHBondContact N-O 3.04Å; L117-F120 PolarHBondContact O-N 2.9Å; L117-F120 VanDerWaalsContact O-N 3.16Å; L117-L122 HydrophobicContact CD1-CB 4.5Å |
| 118 | P | 83.8 | Confident | 90.5 | Very high | 31 Ų | 31 | 17.3 Ų | 17.3 | 20% | 0.201 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34.2 | -163.3 | -24.9 | 27.7 | 0 | 0 | 0 | 115.3 | E12 R74 S282 | E12-P118 WeakPolarHBondContact OE1-CA 3.43Å; E12-P118 WeakPolarHBondContact OE1-CD 3.34Å; E12-P118 WeakPolarHBondContact OE1-CG 3.31Å; R74-P118 HydrophobicContact CB-CG 3.86Å; R74-P118 WeakPolarHBondContact O-CD 3.38Å; R74-P118 WeakPolarHBondContact O-CG 3.15Å; P118-S282 WeakPolarHBondContact O-CA 3.22Å |
| 119 | N | 82.5 | Confident | 90.1 | Very high | 47 Ų | 47 | 19.1 Ų | 19.1 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 25.9 | -179.7 | 64.6 | -5.4 | 0 | 0 | 0 | 111.7 | L117 G261 S262 | L117-N119 PolarHBondContact O-N 3.36Å; N119-G261 WeakPolarHBondContact O-CA 3.22Å; N119-S262 PolarHBondContact O-N 2.75Å |
| 120 | F | 88.8 | Confident | 90 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 136 | -173.9 | -176.1 | -137.6 | 0 | 0 | 0 | 112.6 | I80 L117 L122 F126 S262 V886 | I80-F120 HydrophobicContact CB-CE1 4.28Å; I80-F120 HydrophobicContact CG1-CD1 4.4Å; I80-F120 HydrophobicContact CG1-CE1 4.49Å; I80-F120 HydrophobicContact CG2-CE1 4.07Å; L117-F120 WeakPolarHBondContact CA-O 3.35Å; L117-F120 HydrophobicContact CB-CB 4.24Å; L117-F120 WeakPolarHBondContact CB-O 3.31Å; L117-F120 HydrophobicContact CD1-CD1 3.85Å; L117-F120 PolarHBondContact N-O 3.04Å; L117-F120 PolarHBondContact O-N 2.9Å; L117-F120 VanDerWaalsContact O-N 3.16Å; F120-L122 HydrophobicContact CD1-CB 4.37Å; F120-L122 HydrophobicContact CE1-CB 3.86Å; F120-L122 HydrophobicContact CE1-CD1 3.75Å; F120-L122 HydrophobicContact CE1-CG 4.35Å; F120-L122 HydrophobicContact CZ-CB 4.25Å; F120-L122 HydrophobicContact CZ-CD1 3.78Å; F120-F126 HydrophobicContact CE1-CE1 4.38Å; F120-F126 HydrophobicContact CE1-CZ 4.48Å; F120-F126 HydrophobicContact CE2-CD2 4.1Å; F120-F126 HydrophobicContact CE2-CE2 4.13Å; F120-F126 HydrophobicContact CE2-CG 4.49Å; F120-F126 AromaticContact CZ-CD1 3.9Å; F120-F126 HydrophobicContact CZ-CD1 3.9Å; F120-F126 AromaticContact CZ-CD2 3.81Å; F120-F126 HydrophobicContact CZ-CD2 3.81Å; F120-F126 AromaticContact CZ-CE1 3.87Å; F120-F126 HydrophobicContact CZ-CE1 3.87Å; F120-F126 AromaticContact CZ-CE2 3.77Å; F120-F126 HydrophobicContact CZ-CE2 3.77Å; F120-F126 AromaticContact CZ-CG 3.87Å; F120-F126 HydrophobicContact CZ-CG 3.87Å; F120-F126 AromaticContact CZ-CZ 3.8Å; F120-F126 HydrophobicContact CZ-CZ 3.8Å; F120-S262 VanDerWaalsContact CD2-OG 3.28Å; F120-S262 WeakPolarHBondContact CD2-OG 3.48Å; F120-V886 HydrophobicContact CD2-CG1 4.44Å; F120-V886 HydrophobicContact CD2-CG2 4.2Å; F120-V886 HydrophobicContact CE2-CG2 3.77Å |
| 121 | V | 91.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 18 Ų | 18 | 7% | 0.067 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 103.7 | 168.8 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | H114 W115 T123 S262 C281 I307 D308 | H114-V121 HydrophobicContact CB-CG1 3.7Å; W115-V121 WeakPolarHBondContact O-CA 3.17Å; V121-T123 HydrophobicContact CG1-CG2 4.23Å; V121-T123 PolarHBondContact O-N 3.06Å; V121-S262 PolarHBondContact N-OG 3.14Å; V121-C281 VanDerWaalsContact CG2-SG 3.6Å; V121-I307 HydrophobicContact CG2-CG2 4.07Å; V121-D308 HydrophobicContact CG2-CB 4.46Å |
| 122 | L | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.1 | 177.2 | -177.9 | 67.1 | 0 | 0 | 0 | 110.1 | I80 W115 L117 F120 F126 W168 | I80-L122 HydrophobicContact CG2-CD1 4.2Å; I80-L122 HydrophobicContact CG2-CD2 4.1Å; W115-L122 HydrophobicContact CB-CB 4.3Å; W115-L122 HydrophobicContact CD2-CD2 4.24Å; W115-L122 HydrophobicContact CE3-CD2 3.56Å; W115-L122 HydrophobicContact CZ3-CD2 3.8Å; W115-L122 PolarHBondContact N-O 3.48Å; W115-L122 VanDerWaalsContact N-O 3.15Å; W115-L122 PolarHBondContact O-N 3.17Å; L117-L122 HydrophobicContact CD1-CB 4.5Å; F120-L122 HydrophobicContact CD1-CB 4.37Å; F120-L122 HydrophobicContact CE1-CB 3.86Å; F120-L122 HydrophobicContact CE1-CD1 3.75Å; F120-L122 HydrophobicContact CE1-CG 4.35Å; F120-L122 HydrophobicContact CZ-CB 4.25Å; F120-L122 HydrophobicContact CZ-CD1 3.78Å; L122-F126 HydrophobicContact CD1-CB 4.21Å; L122-F126 HydrophobicContact CD1-CD1 3.36Å; L122-F126 HydrophobicContact CD1-CE1 4.01Å; L122-F126 HydrophobicContact CD1-CG 4.04Å; L122-W168 HydrophobicContact CD2-CH2 3.84Å; L122-W168 HydrophobicContact CD2-CZ2 4.41Å; L122-W168 HydrophobicContact CG-CH2 3.82Å; L122-W168 HydrophobicContact CG-CZ2 4.28Å |
| 123 | T | 92.2 | Very high | 90 | Very high | 32 Ų | 32 | 24.2 Ų | 24.2 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | trans | -115.3 | 157.7 | -178.3 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | H114 V121 T125 F126 L127 | H114-T123 HydrophobicContact CB-CG2 4.4Å; V121-T123 HydrophobicContact CG1-CG2 4.23Å; V121-T123 PolarHBondContact O-N 3.06Å; T123-T125 PolarHBondContact O-N 2.88Å; T123-F126 PolarHBondContact O-N 3.01Å; T123-F126 PolarHBondContact OG1-N 2.79Å; T123-F126 VanDerWaalsContact OG1-N 3.13Å; T123-L127 PolarHBondContact O-N 2.78Å | ||
| 124 | P | 91.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 5% | 0.045 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -32.1 | 170.9 | -23.3 | 32.2 | 0 | 0 | 0 | 113.1 | H114 T128 D167 W168 L171 | H114-P124 VanDerWaalsContact CD2-CD 3.47Å; H114-P124 WeakPolarHBondContact CD2-CD 3.46Å; P124-T128 PolarHBondContact O-N 2.86Å; P124-T128 PolarHBondContact O-OG1 2.7Å; P124-D167 HydrophobicContact CG-CB 4.12Å; P124-W168 HydrophobicContact CB-CE3 4.2Å; P124-W168 HydrophobicContact CG-CB 4.42Å; P124-W168 HydrophobicContact CG-CD2 3.8Å; P124-W168 HydrophobicContact CG-CE3 3.93Å; P124-W168 HydrophobicContact CG-CG 4.01Å; P124-L171 HydrophobicContact CB-CD1 4.29Å; P124-L171 HydrophobicContact CB-CD2 4.33Å; P124-L171 HydrophobicContact CB-CG 4.18Å |
| 125 | T | 86.8 | Confident | 89.5 | Confident | 84 Ų | 84 | 23.8 Ų | 23.8 | 52% | 0.515 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.2 | -49.9 | 176.3 | -46.9 | 0 | 0 | 0 | 0 | 111 | T123 L127 T128 D129 | T123-T125 PolarHBondContact O-N 2.88Å; T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 2.83Å; T125-T128 WeakPolarHBondContact O-CA 3.47Å; T125-T128 WeakPolarHBondContact O-CB 3.32Å; T125-T128 PolarHBondContact O-N 2.91Å; T125-D129 PolarHBondContact O-N 3.15Å |
| 126 | F | 89.6 | Confident | 89 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -43 | 177.2 | 180 | -82.6 | 0 | 0 | 0 | 111.7 | L84 F120 L122 T123 T128 D129 F130 V886 R887 | L84-F126 HydrophobicContact CD1-CE1 4.45Å; F120-F126 HydrophobicContact CE1-CE1 4.38Å; F120-F126 HydrophobicContact CE1-CZ 4.48Å; F120-F126 HydrophobicContact CE2-CD2 4.1Å; F120-F126 HydrophobicContact CE2-CE2 4.13Å; F120-F126 HydrophobicContact CE2-CG 4.49Å; F120-F126 AromaticContact CZ-CD1 3.9Å; F120-F126 HydrophobicContact CZ-CD1 3.9Å; F120-F126 AromaticContact CZ-CD2 3.81Å; F120-F126 HydrophobicContact CZ-CD2 3.81Å; F120-F126 AromaticContact CZ-CE1 3.87Å; F120-F126 HydrophobicContact CZ-CE1 3.87Å; F120-F126 AromaticContact CZ-CE2 3.77Å; F120-F126 HydrophobicContact CZ-CE2 3.77Å; F120-F126 AromaticContact CZ-CG 3.87Å; F120-F126 HydrophobicContact CZ-CG 3.87Å; F120-F126 AromaticContact CZ-CZ 3.8Å; F120-F126 HydrophobicContact CZ-CZ 3.8Å; L122-F126 HydrophobicContact CD1-CB 4.21Å; L122-F126 HydrophobicContact CD1-CD1 3.36Å; L122-F126 HydrophobicContact CD1-CE1 4.01Å; L122-F126 HydrophobicContact CD1-CG 4.04Å; T123-F126 PolarHBondContact O-N 3.01Å; T123-F126 PolarHBondContact OG1-N 2.79Å; T123-F126 VanDerWaalsContact OG1-N 3.13Å; F126-T128 VanDerWaalsContact C-N 3.3Å; F126-T128 PolarHBondContact O-N 3.15Å; F126-D129 PolarHBondContact O-N 3.19Å; F126-F130 WeakPolarHBondContact O-CB 3.46Å; F126-F130 PolarHBondContact O-N 2.78Å; F126-V886 HydrophobicContact CD2-CG2 4.33Å; F126-V886 HydrophobicContact CE2-CG2 3.94Å; F126-R887 HydrophobicContact CE2-CB 4Å |
| 127 | L | 92.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -34.4 | 176.1 | -179.5 | 59.8 | 0 | 0 | 0 | 112.4 | L84 L88 T123 T125 F130 I131 L155 I157 W168 L171 | L84-L127 HydrophobicContact CD1-CD1 3.94Å; L84-L127 HydrophobicContact CD2-CD1 3.84Å; L84-L127 HydrophobicContact CG-CD1 4.49Å; L88-L127 HydrophobicContact CD1-CD1 4.05Å; T123-L127 PolarHBondContact O-N 2.78Å; T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 2.83Å; L127-F130 PolarHBondContact O-N 3.31Å; L127-I131 HydrophobicContact CD1-CD1 3.99Å; L127-I131 HydrophobicContact CD1-CG1 4.32Å; L127-I131 HydrophobicContact CG-CD1 4.02Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CG1 3.34Å; L127-I131 PolarHBondContact O-N 2.96Å; L127-L155 HydrophobicContact CD2-CD2 4.16Å; L127-I157 HydrophobicContact CD2-CD1 4.27Å; L127-W168 HydrophobicContact CB-CZ3 4.31Å; L127-W168 HydrophobicContact CD2-CZ3 3.8Å; L127-L171 HydrophobicContact CD2-CD1 4Å |
| 128 | T | 90.9 | Very high | 88.6 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.9 | -47.8 | 176.1 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | P124 T125 F126 F130 I131 Q132 L171 | P124-T128 PolarHBondContact O-N 2.86Å; P124-T128 PolarHBondContact O-OG1 2.7Å; T125-T128 WeakPolarHBondContact O-CA 3.47Å; T125-T128 WeakPolarHBondContact O-CB 3.32Å; T125-T128 PolarHBondContact O-N 2.91Å; F126-T128 VanDerWaalsContact C-N 3.3Å; F126-T128 PolarHBondContact O-N 3.15Å; T128-F130 PolarHBondContact O-N 2.69Å; T128-I131 PolarHBondContact O-N 3.38Å; T128-Q132 WeakPolarHBondContact O-CB 3.49Å; T128-Q132 PolarHBondContact O-N 3.16Å; T128-L171 VanDerWaalsContact OG1-CD2 3.3Å; T128-L171 WeakPolarHBondContact OG1-CD2 3.45Å |
| 129 | D | 84.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -25.7 | 176.4 | -65.9 | -8.6 | 0 | 0 | 0 | 112 | T125 F126 H133 R887 | T125-D129 PolarHBondContact O-N 3.15Å; F126-D129 PolarHBondContact O-N 3.19Å; D129-H133 PolarHBondContact O-N 3.33Å; D129-R887 PolarHBondContact O-NH1 3.05Å; D129-R887 PolarHBondContact O-NH2 3.33Å |
| 130 | F | 90 | Very high | 88.3 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.4 | -45.2 | 172.4 | -175.1 | -96.1 | 0 | 0 | 0 | 112.3 | T81 L84 T85 L88 F126 L127 T128 Q132 H133 L134 | T81-F130 HydrophobicContact CG2-CD2 4.4Å; T81-F130 HydrophobicContact CG2-CE2 3.76Å; L84-F130 HydrophobicContact CB-CD1 3.75Å; L84-F130 HydrophobicContact CB-CE1 3.33Å; L84-F130 HydrophobicContact CB-CZ 3.88Å; L84-F130 HydrophobicContact CD1-CD1 4.19Å; L84-F130 HydrophobicContact CD1-CG 4.48Å; T85-F130 WeakPolarHBondContact OG1-CZ 3.41Å; L88-F130 HydrophobicContact CD1-CD1 4.18Å; L88-F130 HydrophobicContact CD1-CE1 4.19Å; F126-F130 WeakPolarHBondContact O-CB 3.46Å; F126-F130 PolarHBondContact O-N 2.78Å; L127-F130 PolarHBondContact O-N 3.31Å; T128-F130 PolarHBondContact O-N 2.69Å; F130-Q132 PolarHBondContact O-N 3.09Å; F130-H133 WeakPolarHBondContact O-CB 3.25Å; F130-H133 PolarHBondContact O-N 2.94Å; F130-L134 HydrophobicContact CD1-CD1 4.19Å; F130-L134 HydrophobicContact CD1-CG 4.3Å; F130-L134 HydrophobicContact CE1-CD1 3.46Å; F130-L134 VanDerWaalsContact CE1-CD1 3.46Å; F130-L134 HydrophobicContact CE1-CD2 4.25Å; F130-L134 HydrophobicContact CE1-CG 3.72Å; F130-L134 HydrophobicContact CZ-CD1 4.06Å; F130-L134 HydrophobicContact CZ-CD2 4.01Å; F130-L134 HydrophobicContact CZ-CG 3.97Å; F130-L134 PolarHBondContact O-N 2.7Å |
| 131 | I | 92.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 175.6 | -74.1 | 165.2 | 0 | 0 | 0 | 111.7 | L88 L127 T128 H133 L134 S135 P176 I179 F184 | L88-I131 HydrophobicContact CD1-CD1 4.19Å; L88-I131 HydrophobicContact CD1-CG1 3.82Å; L127-I131 HydrophobicContact CD1-CD1 3.99Å; L127-I131 HydrophobicContact CD1-CG1 4.32Å; L127-I131 HydrophobicContact CG-CD1 4.02Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CG1 3.34Å; L127-I131 PolarHBondContact O-N 2.96Å; T128-I131 PolarHBondContact O-N 3.38Å; I131-H133 PolarHBondContact O-N 3.01Å; I131-L134 PolarHBondContact O-N 3.37Å; I131-S135 PolarHBondContact O-N 3.41Å; I131-P176 HydrophobicContact CB-CB 4Å; I131-P176 HydrophobicContact CD1-CB 3.83Å; I131-P176 HydrophobicContact CD1-CG 3.71Å; I131-P176 HydrophobicContact CG2-CB 3.43Å; I131-P176 VanDerWaalsContact CG2-CB 3.43Å; I131-P176 HydrophobicContact CG2-CG 4.49Å; I131-I179 HydrophobicContact CG2-CD1 4.01Å; I131-I179 HydrophobicContact CG2-CG1 4.15Å; I131-F184 HydrophobicContact CD1-CE1 4.09Å; I131-F184 HydrophobicContact CD1-CE2 4.43Å; I131-F184 HydrophobicContact CD1-CZ 3.9Å; I131-F184 HydrophobicContact CG1-CZ 4.16Å; I131-F184 HydrophobicContact CG2-CD2 4.34Å; I131-F184 HydrophobicContact CG2-CE2 3.56Å; I131-F184 HydrophobicContact CG2-CZ 3.96Å |
| 132 | Q | 86.8 | Confident | 86.2 | Confident | 99 Ų | 99 | 51.6 Ų | 51.6 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 173.7 | -178.8 | 169.7 | -45.7 | 0 | 0 | 111.4 | T128 F130 S135 T136 | T128-Q132 WeakPolarHBondContact O-CB 3.49Å; T128-Q132 PolarHBondContact O-N 3.16Å; F130-Q132 PolarHBondContact O-N 3.09Å; Q132-S135 PolarHBondContact O-N 2.84Å; Q132-S135 PolarHBondContact O-OG 3.01Å; Q132-T136 PolarHBondContact O-N 3.46Å |
| 133 | H | 84.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 174.9 | -178.6 | 81.1 | 0 | 0 | 0 | 113 | D129 F130 I131 S135 T136 L137 E922 | D129-H133 PolarHBondContact O-N 3.33Å; F130-H133 WeakPolarHBondContact O-CB 3.25Å; F130-H133 PolarHBondContact O-N 2.94Å; I131-H133 PolarHBondContact O-N 3.01Å; H133-S135 PolarHBondContact O-N 3.44Å; H133-S135 VanDerWaalsContact O-N 3.16Å; H133-T136 PolarHBondContact O-N 3.07Å; H133-T136 PolarHBondContact O-OG1 3.32Å; H133-L137 PolarHBondContact O-N 3.11Å; H133-E922 IonicContact CD2-OE1 3.62Å; H133-E922 IonicContact CE1-OE1 2.94Å; H133-E922 PolarHBondContact CE1-OE1 2.97Å; H133-E922 IonicContact NE2-OE1 3.99Å; H133-E922 PolarHBondContact NE2-OE1 2.94Å |
| 134 | L | 89.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.8 | -29.2 | 172 | -70 | -171.7 | 0 | 0 | 0 | 112.7 | L88 F130 I131 T136 L137 H138 I179 | L88-L134 HydrophobicContact CB-CD1 3.63Å; L88-L134 HydrophobicContact CD1-CD1 4.39Å; F130-L134 HydrophobicContact CD1-CD1 4.19Å; F130-L134 HydrophobicContact CD1-CG 4.3Å; F130-L134 HydrophobicContact CE1-CD1 3.46Å; F130-L134 VanDerWaalsContact CE1-CD1 3.46Å; F130-L134 HydrophobicContact CE1-CD2 4.25Å; F130-L134 HydrophobicContact CE1-CG 3.72Å; F130-L134 HydrophobicContact CZ-CD1 4.06Å; F130-L134 HydrophobicContact CZ-CD2 4.01Å; F130-L134 HydrophobicContact CZ-CG 3.97Å; F130-L134 PolarHBondContact O-N 2.7Å; I131-L134 PolarHBondContact O-N 3.37Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 2.72Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.42Å; L134-H138 PolarHBondContact O-N 3Å; L134-I179 HydrophobicContact CB-CD1 3.7Å; L134-I179 HydrophobicContact CB-CG1 4.21Å; L134-I179 HydrophobicContact CB-CG2 4.46Å; L134-I179 HydrophobicContact CD1-CD1 4.05Å |
| 135 | S | 88.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.5 | -19.8 | 175.4 | 79 | 0 | 0 | 0 | 0 | 114.4 | I131 Q132 H133 H138 P178 | I131-S135 PolarHBondContact O-N 3.41Å; Q132-S135 PolarHBondContact O-N 2.84Å; Q132-S135 PolarHBondContact O-OG 3.01Å; H133-S135 PolarHBondContact O-N 3.44Å; H133-S135 VanDerWaalsContact O-N 3.16Å; S135-H138 CarbonylContact O-C 3.51Å; S135-P178 WeakPolarHBondContact CB-O 3.38Å |
| 136 | T | 85.3 | Confident | 79.3 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.8 | -33.4 | 171.5 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | Q132 H133 L134 H138 | Q132-T136 PolarHBondContact O-N 3.46Å; H133-T136 PolarHBondContact O-N 3.07Å; H133-T136 PolarHBondContact O-OG1 3.32Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 2.72Å; T136-H138 VanDerWaalsContact C-N 3.31Å |
| 137 | L | 85.8 | Confident | 77.7 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.9 | -26.3 | 172.7 | -59.4 | -178.5 | 0 | 0 | 0 | 112.7 | H133 L134 | H133-L137 PolarHBondContact O-N 3.11Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.42Å |
| 138 | H | 87.1 | Confident | 76.1 | Confident | 63 Ų | 63 | 76 Ų | 76 | 29% | 0.292 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -128.6 | 75 | 177.4 | -60 | -35.9 | 0 | 0 | 0 | 110.3 | P90 L134 S135 T136 I179 G180 | P90-H138 WeakPolarHBondContact CD-CD2 3.47Å; P90-H138 HydrophobicContact CG-CB 4.12Å; L134-H138 PolarHBondContact O-N 3Å; S135-H138 CarbonylContact O-C 3.51Å; T136-H138 VanDerWaalsContact C-N 3.31Å; H138-I179 HydrophobicContact CB-CG2 3.65Å; H138-G180 WeakPolarHBondContact O-CA 3.4Å; H138-G180 PolarHBondContact O-N 3.41Å |
| 139 | P | 82.1 | Confident | 75.3 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 158.1 | 177.7 | 27 | -35 | 0 | 0 | 0 | 111.5 | ||
| 140 | K | 79.1 | Confident | 75.2 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 136.4 | 170.5 | -174.8 | -160.9 | 171.8 | -147.3 | 0 | 109 | T144 | K140-T144 WeakPolarHBondContact CE-OG1 3.33Å; K140-T144 PolarHBondContact NZ-OG1 3.21Å |
| 141 | P | 72.2 | Confident | 75.2 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 137.5 | 169.6 | -22.9 | 33.3 | 0 | 0 | 0 | 111.6 | T144 | P141-T144 HydrophobicContact CB-CG2 4.34Å; P141-T144 VanDerWaalsContact O-CG2 3.24Å; P141-T144 WeakPolarHBondContact O-CG2 3.22Å; P141-T144 PolarHBondContact O-OG1 3.23Å |
| 142 | D | 63.3 | Low | 75.1 | Confident | 156 Ų | 156 | 83.3 Ų | 83.3 | 83% | 0.834 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -67.5 | -44.5 | -177.6 | -66.2 | -62.9 | 0 | 0 | 0 | 112 | T144 | D142-T144 PolarHBondContact O-N 3.18Å; D142-T144 PolarHBondContact O-OG1 2.85Å; D142-T144 VanDerWaalsContact O-OG1 3.09Å |
| 143 | D | 57.1 | Low | 75.5 | Confident | 135 Ų | 135 | 78.6 Ų | 78.6 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | trans | -72 | 77 | -177.3 | -67.8 | -46.2 | 0 | 0 | 0 | 113.5 | ||||
| 144 | T | 55.3 | Low | 75.9 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 24% | 0.239 | 45% | 0.446 | C | S | . | . | trans | -133.5 | 18.2 | -169.7 | 45.2 | 0 | 0 | 0 | 0 | 116.3 | K140 P141 D142 | K140-T144 WeakPolarHBondContact CE-OG1 3.33Å; K140-T144 PolarHBondContact NZ-OG1 3.21Å; P141-T144 HydrophobicContact CB-CG2 4.34Å; P141-T144 VanDerWaalsContact O-CG2 3.24Å; P141-T144 WeakPolarHBondContact O-CG2 3.22Å; P141-T144 PolarHBondContact O-OG1 3.23Å; D142-T144 PolarHBondContact O-N 3.18Å; D142-T144 PolarHBondContact O-OG1 2.85Å; D142-T144 VanDerWaalsContact O-OG1 3.09Å | ||
| 145 | E | 54.7 | Low | 76.2 | Confident | 209 Ų | 209 | 81.7 Ų | 81.7 | 98% | 0.977 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -84.5 | -11.3 | 164.7 | -65.4 | -157.2 | 146 | 0 | 0 | 113.5 | ||
| 146 | S | 52.9 | Low | 76.6 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -124.6 | -10 | -175.8 | 59.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 147 | L | 56.5 | Low | 77 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 47% | 0.471 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -84.9 | 149.9 | -179.9 | -102.9 | 65.6 | 0 | 0 | 0 | 112.6 | ||
| 148 | P | 60.4 | Low | 77.4 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 53% | 0.526 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 144.8 | 172.5 | 28 | -34.5 | 0 | 0 | 0 | 111.6 | H150 | P148-H150 PolarHBondContact O-N 2.96Š|
| 149 | S | 73 | Confident | 77.6 | Confident | 110 Ų | 110 | 68.8 Ų | 68.8 | 77% | 0.769 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 122.4 | -176.4 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | K151 | S149-K151 PolarHBondContact O-N 3.04Š|
| 150 | H | 82.2 | Confident | 77.6 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 134.2 | 175.6 | -72.4 | -123.4 | 0 | 0 | 0 | 111.6 | P148 G180 H182 | P148-H150 PolarHBondContact O-N 2.96Å; H150-G180 PolarHBondContact CE1-O 2.99Å; H150-G180 VanDerWaalsContact CE1-O 3.28Å; H150-G180 PolarHBondContact ND1-O 3.03Å; H150-H182 AromaticContact CE1-NE2 3.98Å; H150-H182 AromaticContact CG-NE2 3.98Å; H150-H182 AromaticContact ND1-CD2 3.33Å; H150-H182 PolarHBondContact ND1-CD2 2.93Å; H150-H182 VanDerWaalsContact ND1-CD2 3.33Å; H150-H182 AromaticContact ND1-CE1 3.66Å; H150-H182 AromaticContact ND1-NE2 3.03Å; H150-H182 PolarHBondContact ND1-NE2 2.91Å |
| 151 | K | 90 | Very high | 77.5 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -72 | 147.9 | 177.9 | -70.9 | -172.7 | -176.3 | 127 | 0 | 111.3 | S94 D95 S149 H182 | S94-K151 PolarHBondContact O-N 2.87Å; D95-K151 WeakPolarHBondContact O-CD 3.23Å; D95-K151 PolarHBondContact O-NZ 3.46Å; D95-K151 WeakPolarHBondContact OD1-CE 3.32Å; D95-K151 IonicContact OD1-NZ 2.59Å; D95-K151 PolarHBondContact OD1-NZ 3.49Å; S149-K151 PolarHBondContact O-N 3.04Å; K151-H182 PolarHBondContact O-ND1 2.92Å |
| 152 | P | 91.9 | Very high | 77.9 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 152.8 | -169.6 | 28.4 | -36.6 | 0 | 0 | 0 | 113.4 | R154 V183 Q185 | P152-R154 HydrophobicContact CG-CG 4.37Å; P152-V183 CarbonylContact C-O 3.44Å; P152-V183 WeakPolarHBondContact CA-O 3.47Å; P152-V183 HydrophobicContact CB-CG2 4.11Å; P152-V183 VanDerWaalsContact CB-O 3.28Å; P152-V183 WeakPolarHBondContact CB-O 3.38Å; P152-Q185 HydrophobicContact CB-CB 4.35Å; P152-Q185 HydrophobicContact CB-CG 3.73Å; P152-Q185 HydrophobicContact CG-CG 4.19Å |
| 153 | I | 94.2 | Very high | 78.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 114 | 157.9 | -61.9 | 165.2 | 0 | 0 | 0 | 107.2 | L98 V100 I179 H182 V183 F184 Q185 | L98-I153 HydrophobicContact CB-CG1 4.28Å; L98-I153 HydrophobicContact CD2-CG1 4.29Å; L98-I153 HydrophobicContact CD2-CG2 4.34Å; L98-I153 CarbonylContact O-C 3.3Å; L98-I153 WeakPolarHBondContact O-CA 3.42Å; V100-I153 HydrophobicContact CG2-CG2 4.2Å; I153-I179 HydrophobicContact CD1-CB 4.42Å; I153-H182 HydrophobicContact CD1-CB 3.98Å; I153-H182 HydrophobicContact CG1-CB 3.91Å; I153-V183 PolarHBondContact N-O 3.22Å; I153-F184 HydrophobicContact CB-CD1 4.07Å; I153-F184 HydrophobicContact CB-CE1 3.94Å; I153-F184 HydrophobicContact CB-CZ 4.35Å; I153-F184 HydrophobicContact CD1-CE1 4.4Å; I153-F184 HydrophobicContact CD1-CE2 4.31Å; I153-F184 HydrophobicContact CD1-CZ 3.98Å; I153-F184 HydrophobicContact CG2-CD1 3.96Å; I153-F184 HydrophobicContact CG2-CE1 3.52Å; I153-F184 HydrophobicContact CG2-CZ 4.17Å; I153-F184 CarbonylContact O-C 3.6Å; I153-F184 WeakPolarHBondContact O-CA 3.48Å; I153-Q185 PolarHBondContact O-N 2.89Å |
| 154 | R | 94.2 | Very high | 79.8 | Confident | 110 Ų | 110 | 49.9 Ų | 49.9 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 98.1 | 178.9 | -74.6 | 174.4 | 170.2 | 177.3 | 0.1 | 109.7 | T97 L98 N99 V100 P152 Q185 | T97-R154 HydrophobicContact CG2-CG 4.27Å; L98-R154 PolarHBondContact O-N 2.86Å; N99-R154 WeakPolarHBondContact OD1-CD 3.24Å; V100-R154 PolarHBondContact N-O 3.4Å; P152-R154 HydrophobicContact CG-CG 4.37Å; R154-Q185 WeakPolarHBondContact CA-O 3.41Å; R154-Q185 HydrophobicContact CG-CB 4.02Å |
| 155 | L | 95.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.5 | 177.4 | -179.3 | 60.8 | 0 | 0 | 0 | 110.3 | V100 L102 L127 I157 F184 Q185 V186 T187 | V100-L155 HydrophobicContact CB-CD1 4.02Å; V100-L155 HydrophobicContact CG1-CD1 3.91Å; V100-L155 CarbonylContact O-C 3.51Å; V100-L155 WeakPolarHBondContact O-CA 3.41Å; L102-L155 HydrophobicContact CD1-CD1 4.13Å; L102-L155 HydrophobicContact CG-CD1 4.19Å; L127-L155 HydrophobicContact CD2-CD2 4.16Å; L155-I157 HydrophobicContact CD2-CD1 4.39Å; L155-I157 HydrophobicContact CG-CG1 4.24Å; L155-F184 HydrophobicContact CB-CD1 4.28Å; L155-Q185 PolarHBondContact N-O 3.42Å; L155-Q185 VanDerWaalsContact N-O 3.11Å; L155-V186 HydrophobicContact CB-CG1 4.48Å; L155-V186 HydrophobicContact CB-CG2 4.4Å; L155-V186 HydrophobicContact CD2-CG1 4.33Å; L155-V186 HydrophobicContact CD2-CG2 4.45Å; L155-V186 HydrophobicContact CG-CG1 4.43Å; L155-V186 CarbonylContact O-C 3.6Å; L155-V186 VanDerWaalsContact O-CA 3.31Å; L155-V186 WeakPolarHBondContact O-CA 3.29Å; L155-T187 PolarHBondContact O-N 3.14Å |
| 156 | H | 95.3 | Very high | 83 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.6 | 167.1 | -171.6 | 55.7 | 0 | 0 | 0 | 110.9 | T32 S33 V100 I101 L102 T187 | T32-H156 PolarHBondContact O-CE1 3.05Å; T32-H156 VanDerWaalsContact O-CE1 3.29Å; T32-H156 PolarHBondContact O-NE2 3.15Å; T32-H156 PolarHBondContact OG1-NE2 3.04Å; S33-H156 WeakPolarHBondContact CA-NE2 3.31Å; S33-H156 PolarHBondContact OG-CD2 3.18Å; S33-H156 PolarHBondContact OG-NE2 2.98Å; V100-H156 PolarHBondContact O-N 3.14Å; I101-H156 HydrophobicContact CB-CB 4.48Å; I101-H156 HydrophobicContact CG1-CB 4.03Å; I101-H156 HydrophobicContact CG2-CB 4.32Å; L102-H156 PolarHBondContact N-O 2.65Å; H156-T187 WeakPolarHBondContact CA-O 3.39Å; H156-T187 PolarHBondContact ND1-O 3.32Å; H156-T187 PolarHBondContact ND1-OG1 2.8Å |
| 157 | I | 95.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 110.5 | 174.8 | -45.3 | -175.9 | 0 | 0 | 0 | 107.7 | L102 W115 L127 L155 I159 W168 L171 T187 V188 N189 | L102-I157 WeakPolarHBondContact O-CA 3.15Å; W115-I157 HydrophobicContact CH2-CG2 4.32Å; W115-I157 HydrophobicContact CZ2-CG2 3.6Å; L127-I157 HydrophobicContact CD2-CD1 4.27Å; L155-I157 HydrophobicContact CD2-CD1 4.39Å; L155-I157 HydrophobicContact CG-CG1 4.24Å; I157-I159 HydrophobicContact CG2-CD1 4.29Å; I157-I159 HydrophobicContact CG2-CG1 4.25Å; I157-W168 HydrophobicContact CD1-CD2 4.36Å; I157-W168 HydrophobicContact CD1-CE3 3.54Å; I157-W168 HydrophobicContact CD1-CZ3 3.99Å; I157-W168 HydrophobicContact CG2-CD2 4.43Å; I157-W168 HydrophobicContact CG2-CE3 4.46Å; I157-L171 HydrophobicContact CD1-CD1 3.87Å; I157-T187 PolarHBondContact N-O 3.06Å; I157-V188 HydrophobicContact CB-CG1 4.34Å; I157-V188 HydrophobicContact CB-CG2 4.02Å; I157-V188 HydrophobicContact CD1-CG2 4.21Å; I157-V188 HydrophobicContact CG1-CG2 4.26Å; I157-V188 WeakPolarHBondContact O-CA 3.3Å; I157-N189 PolarHBondContact O-N 2.98Å; I157-N189 VanDerWaalsContact O-N 3.09Å |
| 158 | G | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | L102 I103 Y104 N189 | L102-G158 PolarHBondContact O-N 2.87Å; I103-G158 WeakPolarHBondContact CA-O 3.25Å; Y104-G158 PolarHBondContact N-O 3.36Å; G158-N189 WeakPolarHBondContact CA-OD1 3.23Å |
| 159 | I | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 110.9 | -177.6 | -55.5 | 175.4 | 0 | 0 | 0 | 106.8 | L108 A113 W115 I157 V162 W168 N189 | L108-I159 HydrophobicContact CD1-CG2 3.36Å; L108-I159 HydrophobicContact CD2-CG2 3.86Å; L108-I159 HydrophobicContact CG-CG2 4.27Å; A113-I159 HydrophobicContact CB-CD1 4.38Å; W115-I159 HydrophobicContact CZ2-CG1 4.48Å; I157-I159 HydrophobicContact CG2-CD1 4.29Å; I157-I159 HydrophobicContact CG2-CG1 4.25Å; I159-V162 HydrophobicContact CG2-CB 4.37Å; I159-W168 HydrophobicContact CD1-CG 4.02Å; I159-N189 PolarHBondContact N-OD1 2.86Å; I159-N189 PolarHBondContact O-ND2 2.91Å; I159-N189 PolarHBondContact O-OD1 2.87Å |
| 160 | G | 81.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -66.8 | -61.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D25 Q28 V162 | D25-G160 VanDerWaalsContact OD1-C 3.27Å; D25-G160 WeakPolarHBondContact OD1-CA 3.5Å; Q28-G160 WeakPolarHBondContact CG-O 3.4Å; G160-V162 VanDerWaalsContact C-N 3.33Å; G160-V162 PolarHBondContact O-N 2.89Å |
| 161 | A | 77.6 | Confident | 89.2 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 15% | 0.149 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -61.7 | -32.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D25 L108 P353 | D25-A161 PolarHBondContact OD1-N 3.1Å; L108-A161 HydrophobicContact CD1-CB 4.18Å; A161-P353 VanDerWaalsContact CB-O 3.31Å; A161-P353 WeakPolarHBondContact CB-O 3.41Å |
| 162 | V | 80.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | trans | -108.2 | 82.4 | -174.3 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | L108 A113 I159 G160 S164 G165 N189 T355 | L108-V162 HydrophobicContact CB-CG2 4.35Å; L108-V162 HydrophobicContact CD1-CB 4.26Å; L108-V162 HydrophobicContact CD1-CG2 3.69Å; A113-V162 HydrophobicContact CB-CB 4.18Å; A113-V162 HydrophobicContact CB-CG1 3.92Å; I159-V162 HydrophobicContact CG2-CB 4.37Å; G160-V162 VanDerWaalsContact C-N 3.33Å; G160-V162 PolarHBondContact O-N 2.89Å; V162-S164 WeakPolarHBondContact CG1-OG 3.33Å; V162-S164 PolarHBondContact O-N 2.88Å; V162-G165 PolarHBondContact O-N 2.79Å; V162-N189 PolarHBondContact O-ND2 2.81Å; V162-T355 HydrophobicContact CG2-CG2 3.92Å | ||
| 163 | S | 77.6 | Confident | 89 | Confident | 83 Ų | 83 | 33.4 Ų | 33.4 | 58% | 0.58 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.7 | -179.8 | 64.6 | 0 | 0 | 0 | 0 | 115.7 | G165 R169 | S163-G165 VanDerWaalsContact C-N 3.29Å; S163-R169 PolarHBondContact O-NH2 3.3Å |
| 164 | S | 83.2 | Confident | 88.7 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 37% | 0.371 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.8 | 171.7 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | V162 G166 R169 | V162-S164 WeakPolarHBondContact CG1-OG 3.33Å; V162-S164 PolarHBondContact O-N 2.88Å; S164-G166 PolarHBondContact O-N 3.47Å; S164-G166 PolarHBondContact OG-N 3.23Å; S164-R169 WeakPolarHBondContact O-CD 3.25Å; S164-R169 PolarHBondContact O-NE 2.98Å; S164-R169 VanDerWaalsContact O-NE 3.12Å; S164-R169 PolarHBondContact O-NH1 3.4Å |
| 165 | G | 86 | Confident | 88.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 67.3 | -0.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V162 S163 W168 | V162-G165 PolarHBondContact O-N 2.79Å; S163-G165 VanDerWaalsContact C-N 3.29Å; G165-W168 WeakPolarHBondContact O-CB 3.46Å; G165-W168 PolarHBondContact O-N 2.9Å | ||
| 166 | G | 90 | Very high | 88.2 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | 48.3 | -140.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G111 S164 W168 R169 | G111-G166 WeakPolarHBondContact O-CA 3.3Å; S164-G166 PolarHBondContact O-N 3.47Å; S164-G166 PolarHBondContact OG-N 3.23Å; G166-W168 PolarHBondContact O-N 2.94Å; G166-R169 PolarHBondContact O-N 2.94Å |
| 167 | D | 91.3 | Very high | 87.9 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -71.7 | -14 | -176 | -67.2 | -36.2 | 0 | 0 | 0 | 112.9 | S112 H114 P124 R169 H170 T436 | S112-D167 WeakPolarHBondContact CA-OD2 3.25Å; S112-D167 WeakPolarHBondContact CB-OD2 3.46Å; S112-D167 PolarHBondContact O-N 2.59Å; H114-D167 IonicContact NE2-OD2 2.96Å; P124-D167 HydrophobicContact CG-CB 4.12Å; D167-R169 PolarHBondContact O-N 2.98Å; D167-R169 VanDerWaalsContact O-N 3.15Å; D167-H170 WeakPolarHBondContact O-CB 3.21Å; D167-H170 PolarHBondContact O-N 3.22Å; D167-T436 WeakPolarHBondContact OD1-CB 3.32Å; D167-T436 WeakPolarHBondContact OD1-CG2 3.3Å; D167-T436 WeakPolarHBondContact OD2-CG2 3.38Å |
| 168 | W | 93.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -58.9 | -26.6 | 171.8 | -61.9 | 96.3 | 0 | 0 | 0 | 112.6 | A113 W115 L122 P124 L127 I157 I159 G165 G166 H170 L171 V188 | A113-W168 PolarHBondContact O-NE1 3.04Å; W115-W168 AromaticContact CD1-CE2 3.97Å; W115-W168 AromaticContact CD1-CZ2 3.79Å; W115-W168 AromaticContact CD1-NE1 3.67Å; W115-W168 HydrophobicContact CD2-CH2 4.45Å; W115-W168 AromaticContact CD2-CZ2 3.84Å; W115-W168 HydrophobicContact CD2-CZ2 3.84Å; W115-W168 AromaticContact CE2-CE2 3.95Å; W115-W168 AromaticContact CE2-CZ2 3.56Å; W115-W168 AromaticContact CG-CZ2 3.96Å; W115-W168 HydrophobicContact CG-CZ2 3.96Å; W115-W168 HydrophobicContact CZ2-CH2 4.39Å; W115-W168 HydrophobicContact CZ2-CZ2 4.12Å; W115-W168 AromaticContact NE1-CE2 3.53Å; W115-W168 AromaticContact NE1-CZ2 3.52Å; W115-W168 AromaticContact NE1-NE1 3.37Å; L122-W168 HydrophobicContact CD2-CH2 3.84Å; L122-W168 HydrophobicContact CD2-CZ2 4.41Å; L122-W168 HydrophobicContact CG-CH2 3.82Å; L122-W168 HydrophobicContact CG-CZ2 4.28Å; P124-W168 HydrophobicContact CB-CE3 4.2Å; P124-W168 HydrophobicContact CG-CB 4.42Å; P124-W168 HydrophobicContact CG-CD2 3.8Å; P124-W168 HydrophobicContact CG-CE3 3.93Å; P124-W168 HydrophobicContact CG-CG 4.01Å; L127-W168 HydrophobicContact CB-CZ3 4.31Å; L127-W168 HydrophobicContact CD2-CZ3 3.8Å; I157-W168 HydrophobicContact CD1-CD2 4.36Å; I157-W168 HydrophobicContact CD1-CE3 3.54Å; I157-W168 HydrophobicContact CD1-CZ3 3.99Å; I157-W168 HydrophobicContact CG2-CD2 4.43Å; I157-W168 HydrophobicContact CG2-CE3 4.46Å; I159-W168 HydrophobicContact CD1-CG 4.02Å; G165-W168 WeakPolarHBondContact O-CB 3.46Å; G165-W168 PolarHBondContact O-N 2.9Å; G166-W168 PolarHBondContact O-N 2.94Å; W168-H170 PolarHBondContact O-N 3.5Å; W168-L171 HydrophobicContact CE3-CD1 3.83Å; W168-L171 HydrophobicContact CZ3-CD1 4.32Å; W168-L171 WeakPolarHBondContact O-CB 3.28Å; W168-L171 PolarHBondContact O-N 2.8Å; W168-L171 VanDerWaalsContact O-N 3.1Å; W168-V188 HydrophobicContact CB-CG1 3.88Å; W168-V188 HydrophobicContact CB-CG2 4.07Å; W168-V188 WeakPolarHBondContact O-CG2 3.43Å |
| 169 | R | 91.9 | Very high | 87.4 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -63.3 | -17.1 | 172.7 | -76.9 | -166 | 173.7 | 144 | 7.9 | 113.4 | S163 S164 G166 D167 L171 V172 S173 V188 N189 | S163-R169 PolarHBondContact O-NH2 3.3Å; S164-R169 WeakPolarHBondContact O-CD 3.25Å; S164-R169 PolarHBondContact O-NE 2.98Å; S164-R169 VanDerWaalsContact O-NE 3.12Å; S164-R169 PolarHBondContact O-NH1 3.4Å; G166-R169 PolarHBondContact O-N 2.94Å; D167-R169 PolarHBondContact O-N 2.98Å; D167-R169 VanDerWaalsContact O-N 3.15Å; R169-L171 PolarHBondContact O-N 3.07Å; R169-V172 WeakPolarHBondContact O-CB 3.44Å; R169-V172 PolarHBondContact O-N 3Å; R169-S173 PolarHBondContact O-N 3.36Å; R169-V188 HydrophobicContact CG-CB 4.1Å; R169-V188 HydrophobicContact CG-CG1 4.33Å; R169-N189 PolarHBondContact NH2-O 2.8Å; R169-N189 VanDerWaalsContact NH2-O 3.16Å |
| 170 | H | 87.4 | Confident | 87.1 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.1 | -37.9 | 170.2 | -176 | -104.1 | 0 | 0 | 0 | 112.1 | D167 W168 V172 S173 N174 | D167-H170 WeakPolarHBondContact O-CB 3.21Å; D167-H170 PolarHBondContact O-N 3.22Å; W168-H170 PolarHBondContact O-N 3.5Å; H170-V172 PolarHBondContact O-N 2.76Å; H170-S173 WeakPolarHBondContact CA-OG 3.44Å; H170-S173 PolarHBondContact O-N 2.9Å; H170-S173 PolarHBondContact O-OG 3.11Å; H170-N174 PolarHBondContact NE2-ND2 3.46Å; H170-N174 PolarHBondContact O-N 3.29Å |
| 171 | L | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -16 | 177.7 | -56 | 175.4 | 0 | 0 | 0 | 113.4 | P124 L127 T128 I157 W168 R169 P175 P176 V186 | P124-L171 HydrophobicContact CB-CD1 4.29Å; P124-L171 HydrophobicContact CB-CD2 4.33Å; P124-L171 HydrophobicContact CB-CG 4.18Å; L127-L171 HydrophobicContact CD2-CD1 4Å; T128-L171 VanDerWaalsContact OG1-CD2 3.3Å; T128-L171 WeakPolarHBondContact OG1-CD2 3.45Å; I157-L171 HydrophobicContact CD1-CD1 3.87Å; W168-L171 HydrophobicContact CE3-CD1 3.83Å; W168-L171 HydrophobicContact CZ3-CD1 4.32Å; W168-L171 WeakPolarHBondContact O-CB 3.28Å; W168-L171 PolarHBondContact O-N 2.8Å; W168-L171 VanDerWaalsContact O-N 3.1Å; R169-L171 PolarHBondContact O-N 3.07Å; L171-P175 VanDerWaalsContact O-CA 3.32Å; L171-P175 WeakPolarHBondContact O-CA 3.38Å; L171-P176 HydrophobicContact CD2-CG 4.37Å; L171-V186 HydrophobicContact CB-CB 4.48Å; L171-V186 HydrophobicContact CB-CG1 3.89Å; L171-V186 WeakPolarHBondContact O-CB 3.26Å |
| 172 | V | 91.3 | Very high | 87.9 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -86 | -34.5 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | R169 H170 V186 V188 | R169-V172 WeakPolarHBondContact O-CB 3.44Å; R169-V172 PolarHBondContact O-N 3Å; H170-V172 PolarHBondContact O-N 2.76Å; V172-V186 HydrophobicContact CG2-CG1 4.39Å; V172-V188 HydrophobicContact CG2-CB 4.25Å; V172-V188 HydrophobicContact CG2-CG2 3.81Å |
| 173 | S | 87.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 47.9 Ų | 47.9 | 57% | 0.573 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -77.8 | -35.5 | 172.7 | 41 | 0 | 0 | 0 | 0 | 113.3 | R169 H170 | R169-S173 PolarHBondContact O-N 3.36Å; H170-S173 WeakPolarHBondContact CA-OG 3.44Å; H170-S173 PolarHBondContact O-N 2.9Å; H170-S173 PolarHBondContact O-OG 3.11Å |
| 174 | N | 88.5 | Confident | 89.2 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -128.9 | 81.2 | -177.5 | -65.7 | -48.3 | 0 | 0 | 0 | 108 | H170 | H170-N174 PolarHBondContact NE2-ND2 3.46Å; H170-N174 PolarHBondContact O-N 3.29Å |
| 175 | P | 89 | Confident | 89.7 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 146 | -179.3 | 26.6 | -34.4 | 0 | 0 | 0 | 111.5 | L171 F184 V186 | L171-P175 VanDerWaalsContact O-CA 3.32Å; L171-P175 WeakPolarHBondContact O-CA 3.38Å; P175-F184 HydrophobicContact CB-CB 4.39Å; P175-V186 HydrophobicContact CB-CG2 4.44Å |
| 176 | P | 89.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 161.3 | 175.6 | -27.4 | 36.8 | 0 | 0 | 0 | 114.3 | I131 L171 F184 | I131-P176 HydrophobicContact CB-CB 4Å; I131-P176 HydrophobicContact CD1-CB 3.83Å; I131-P176 HydrophobicContact CD1-CG 3.71Å; I131-P176 HydrophobicContact CG2-CB 3.43Å; I131-P176 VanDerWaalsContact CG2-CB 3.43Å; I131-P176 HydrophobicContact CG2-CG 4.49Å; L171-P176 HydrophobicContact CD2-CG 4.37Å; P176-F184 HydrophobicContact CB-CD2 4.08Å; P176-F184 HydrophobicContact CB-CE2 4.4Å; P176-F184 HydrophobicContact CB-CG 4.41Å |
| 177 | Q | 87.6 | Confident | 90.3 | Very high | 106 Ų | 106 | 48 Ų | 48 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.1 | 178.7 | -59.3 | -166.2 | 47.4 | 0 | 0 | 111.9 | F184 | Q177-F184 WeakPolarHBondContact O-CD2 3.47Å; Q177-F184 WeakPolarHBondContact O-CE2 3.36Å |
| 178 | P | 89.7 | Confident | 90.3 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 141.7 | 179.1 | -20.2 | 33.6 | 0 | 0 | 0 | 112.7 | S135 H182 V183 | S135-P178 WeakPolarHBondContact CB-O 3.38Å; P178-H182 VanDerWaalsContact CA-O 3.26Å; P178-H182 WeakPolarHBondContact CA-O 3.36Å; P178-H182 WeakPolarHBondContact CB-O 3.41Å; P178-V183 HydrophobicContact CB-CG1 4.46Å; P178-V183 HydrophobicContact CG-CG1 4.12Å |
| 179 | I | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 128.7 | 171.3 | -58.4 | 168.6 | 0 | 0 | 0 | 107.9 | P90 I131 L134 H138 I153 G181 H182 F184 | P90-I179 HydrophobicContact CB-CG2 4.23Å; P90-I179 HydrophobicContact CG-CG2 3.86Å; I131-I179 HydrophobicContact CG2-CD1 4.01Å; I131-I179 HydrophobicContact CG2-CG1 4.15Å; L134-I179 HydrophobicContact CB-CD1 3.7Å; L134-I179 HydrophobicContact CB-CG1 4.21Å; L134-I179 HydrophobicContact CB-CG2 4.46Å; L134-I179 HydrophobicContact CD1-CD1 4.05Å; H138-I179 HydrophobicContact CB-CG2 3.65Å; I153-I179 HydrophobicContact CD1-CB 4.42Å; I179-G181 PolarHBondContact O-N 3.26Å; I179-G181 VanDerWaalsContact O-N 3.1Å; I179-H182 PolarHBondContact N-O 3.33Å; I179-H182 WeakPolarHBondContact O-CB 3.5Å; I179-H182 PolarHBondContact O-N 2.75Å; I179-F184 HydrophobicContact CD1-CE2 3.9Å; I179-F184 HydrophobicContact CD1-CZ 3.78Å; I179-F184 HydrophobicContact CG1-CE2 3.98Å; I179-F184 HydrophobicContact CG1-CZ 4.38Å |
| 180 | G | 86 | Confident | 88.9 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H138 H150 H182 | H138-G180 WeakPolarHBondContact O-CA 3.4Å; H138-G180 PolarHBondContact O-N 3.41Å; H150-G180 PolarHBondContact CE1-O 2.99Å; H150-G180 VanDerWaalsContact CE1-O 3.28Å; H150-G180 PolarHBondContact ND1-O 3.03Å; G180-H182 VanDerWaalsContact C-N 3.3Å; G180-H182 PolarHBondContact O-CD2 3.11Å; G180-H182 PolarHBondContact O-N 2.99Å |
| 181 | G | 85.5 | Confident | 86.9 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -8.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I179 V183 | I179-G181 PolarHBondContact O-N 3.26Å; I179-G181 VanDerWaalsContact O-N 3.1Å; G181-V183 PolarHBondContact O-N 2.85Å |
| 182 | H | 90.6 | Very high | 84.5 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 118.8 | 177.6 | -64.4 | -103.6 | 0 | 0 | 0 | 111.2 | H150 K151 I153 P178 I179 G180 | H150-H182 AromaticContact CE1-NE2 3.98Å; H150-H182 AromaticContact CG-NE2 3.98Å; H150-H182 AromaticContact ND1-CD2 3.33Å; H150-H182 PolarHBondContact ND1-CD2 2.93Å; H150-H182 VanDerWaalsContact ND1-CD2 3.33Å; H150-H182 AromaticContact ND1-CE1 3.66Å; H150-H182 AromaticContact ND1-NE2 3.03Å; H150-H182 PolarHBondContact ND1-NE2 2.91Å; K151-H182 PolarHBondContact O-ND1 2.92Å; I153-H182 HydrophobicContact CD1-CB 3.98Å; I153-H182 HydrophobicContact CG1-CB 3.91Å; P178-H182 VanDerWaalsContact CA-O 3.26Å; P178-H182 WeakPolarHBondContact CA-O 3.36Å; P178-H182 WeakPolarHBondContact CB-O 3.41Å; I179-H182 PolarHBondContact N-O 3.33Å; I179-H182 WeakPolarHBondContact O-CB 3.5Å; I179-H182 PolarHBondContact O-N 2.75Å; G180-H182 VanDerWaalsContact C-N 3.3Å; G180-H182 PolarHBondContact O-CD2 3.11Å; G180-H182 PolarHBondContact O-N 2.99Å |
| 183 | V | 92.2 | Very high | 81.6 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 147.8 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | P152 I153 P178 G181 | P152-V183 CarbonylContact C-O 3.44Å; P152-V183 WeakPolarHBondContact CA-O 3.47Å; P152-V183 HydrophobicContact CB-CG2 4.11Å; P152-V183 VanDerWaalsContact CB-O 3.28Å; P152-V183 WeakPolarHBondContact CB-O 3.38Å; I153-V183 PolarHBondContact N-O 3.22Å; P178-V183 HydrophobicContact CB-CG1 4.46Å; P178-V183 HydrophobicContact CG-CG1 4.12Å; G181-V183 PolarHBondContact O-N 2.85Å |
| 184 | F | 93 | Very high | 78.9 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136.9 | 177.7 | -83 | -86.6 | 0 | 0 | 0 | 113.7 | L88 I131 I153 L155 P175 P176 Q177 I179 V186 | L88-F184 HydrophobicContact CD2-CE1 4.16Å; L88-F184 HydrophobicContact CD2-CZ 4.43Å; I131-F184 HydrophobicContact CD1-CE1 4.09Å; I131-F184 HydrophobicContact CD1-CE2 4.43Å; I131-F184 HydrophobicContact CD1-CZ 3.9Å; I131-F184 HydrophobicContact CG1-CZ 4.16Å; I131-F184 HydrophobicContact CG2-CD2 4.34Å; I131-F184 HydrophobicContact CG2-CE2 3.56Å; I131-F184 HydrophobicContact CG2-CZ 3.96Å; I153-F184 HydrophobicContact CB-CD1 4.07Å; I153-F184 HydrophobicContact CB-CE1 3.94Å; I153-F184 HydrophobicContact CB-CZ 4.35Å; I153-F184 HydrophobicContact CD1-CE1 4.4Å; I153-F184 HydrophobicContact CD1-CE2 4.31Å; I153-F184 HydrophobicContact CD1-CZ 3.98Å; I153-F184 HydrophobicContact CG2-CD1 3.96Å; I153-F184 HydrophobicContact CG2-CE1 3.52Å; I153-F184 HydrophobicContact CG2-CZ 4.17Å; I153-F184 CarbonylContact O-C 3.6Å; I153-F184 WeakPolarHBondContact O-CA 3.48Å; L155-F184 HydrophobicContact CB-CD1 4.28Å; P175-F184 HydrophobicContact CB-CB 4.39Å; P176-F184 HydrophobicContact CB-CD2 4.08Å; P176-F184 HydrophobicContact CB-CE2 4.4Å; P176-F184 HydrophobicContact CB-CG 4.41Å; Q177-F184 WeakPolarHBondContact O-CD2 3.47Å; Q177-F184 WeakPolarHBondContact O-CE2 3.36Å; I179-F184 HydrophobicContact CD1-CE2 3.9Å; I179-F184 HydrophobicContact CD1-CZ 3.78Å; I179-F184 HydrophobicContact CG1-CE2 3.98Å; I179-F184 HydrophobicContact CG1-CZ 4.38Å; F184-V186 HydrophobicContact CB-CG2 4.17Å |
| 185 | Q | 93.2 | Very high | 76 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 85.3 | 166.1 | -74.4 | -175.5 | -11.2 | 0 | 0 | 109 | P152 I153 R154 L155 | P152-Q185 HydrophobicContact CB-CB 4.35Å; P152-Q185 HydrophobicContact CB-CG 3.73Å; P152-Q185 HydrophobicContact CG-CG 4.19Å; I153-Q185 PolarHBondContact O-N 2.89Å; R154-Q185 WeakPolarHBondContact CA-O 3.41Å; R154-Q185 HydrophobicContact CG-CB 4.02Å; L155-Q185 PolarHBondContact N-O 3.42Å; L155-Q185 VanDerWaalsContact N-O 3.11Å |
| 186 | V | 93.7 | Very high | 73 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.9 | -177.8 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | L155 L171 V172 P175 F184 V188 | L155-V186 HydrophobicContact CB-CG1 4.48Å; L155-V186 HydrophobicContact CB-CG2 4.4Å; L155-V186 HydrophobicContact CD2-CG1 4.33Å; L155-V186 HydrophobicContact CD2-CG2 4.45Å; L155-V186 HydrophobicContact CG-CG1 4.43Å; L155-V186 CarbonylContact O-C 3.6Å; L155-V186 VanDerWaalsContact O-CA 3.31Å; L155-V186 WeakPolarHBondContact O-CA 3.29Å; L171-V186 HydrophobicContact CB-CB 4.48Å; L171-V186 HydrophobicContact CB-CG1 3.89Å; L171-V186 WeakPolarHBondContact O-CB 3.26Å; V172-V186 HydrophobicContact CG2-CG1 4.39Å; P175-V186 HydrophobicContact CB-CG2 4.44Å; F184-V186 HydrophobicContact CB-CG2 4.17Å; V186-V188 HydrophobicContact CG1-CG2 4.39Å |
| 187 | T | 93.6 | Very high | 70.3 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 135.1 | 166.4 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | L155 H156 I157 R190 | L155-T187 PolarHBondContact O-N 3.14Å; H156-T187 WeakPolarHBondContact CA-O 3.39Å; H156-T187 PolarHBondContact ND1-O 3.32Å; H156-T187 PolarHBondContact ND1-OG1 2.8Å; I157-T187 PolarHBondContact N-O 3.06Å; T187-R190 PolarHBondContact OG1-NE 3.4Å; T187-R190 PolarHBondContact OG1-NH2 2.94Å |
| 188 | V | 92.5 | Very high | 67.8 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.6 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | I157 W168 R169 V172 V186 | I157-V188 HydrophobicContact CB-CG1 4.34Å; I157-V188 HydrophobicContact CB-CG2 4.02Å; I157-V188 HydrophobicContact CD1-CG2 4.21Å; I157-V188 HydrophobicContact CG1-CG2 4.26Å; I157-V188 WeakPolarHBondContact O-CA 3.3Å; W168-V188 HydrophobicContact CB-CG1 3.88Å; W168-V188 HydrophobicContact CB-CG2 4.07Å; W168-V188 WeakPolarHBondContact O-CG2 3.43Å; R169-V188 HydrophobicContact CG-CB 4.1Å; R169-V188 HydrophobicContact CG-CG1 4.33Å; V172-V188 HydrophobicContact CG2-CB 4.25Å; V172-V188 HydrophobicContact CG2-CG2 3.81Å; V186-V188 HydrophobicContact CG1-CG2 4.39Å |
| 189 | N | 88.2 | Confident | 65.1 | Low | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | trans | 41.6 | 78 | -179.7 | -78.9 | -2.6 | 0 | 0 | 0 | 113.6 | T32 I157 G158 I159 V162 R169 C191 | T32-N189 HydrophobicContact CG2-CB 4.39Å; T32-N189 PolarHBondContact OG1-OD1 3.08Å; I157-N189 PolarHBondContact O-N 2.98Å; I157-N189 VanDerWaalsContact O-N 3.09Å; G158-N189 WeakPolarHBondContact CA-OD1 3.23Å; I159-N189 PolarHBondContact N-OD1 2.86Å; I159-N189 PolarHBondContact O-ND2 2.91Å; I159-N189 PolarHBondContact O-OD1 2.87Å; V162-N189 PolarHBondContact O-ND2 2.81Å; R169-N189 PolarHBondContact NH2-O 2.8Å; R169-N189 VanDerWaalsContact NH2-O 3.16Å; N189-C191 PolarHBondContact O-N 3.35Å | ||
| 190 | R | 68.3 | Low | 62.6 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | trans | -73.2 | 76.7 | 177.6 | -52.4 | 179.9 | 176.3 | -158.8 | 0.3 | 110.8 | T32 T187 R192 | T32-R190 WeakPolarHBondContact O-CB 3.35Å; T32-R190 WeakPolarHBondContact O-CG 3.3Å; T32-R190 PolarHBondContact O-N 3.46Å; T187-R190 PolarHBondContact OG1-NE 3.4Å; T187-R190 PolarHBondContact OG1-NH2 2.94Å; R190-R192 PolarHBondContact O-N 3.26Å | ||
| 191 | C | 44.9 | Very low | 60.2 | Low | 77 Ų | 77 | 92.5 Ų | 92.5 | 52% | 0.52 | 49% | 0.488 | S | S | . | . | trans | -55.4 | 108.7 | 170.4 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | N189 T193 | N189-C191 PolarHBondContact O-N 3.35Å; C191-T193 PolarHBondContact O-N 2.97Å | ||
| 192 | R | 40.6 | Very low | 57.7 | Low | 161 Ų | 161 | 97.8 Ų | 97.8 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | trans | -62.2 | 107.6 | 167.5 | -60.2 | -176.8 | -169.2 | -168.9 | 4 | 107 | R190 V194 | R190-R192 PolarHBondContact O-N 3.26Å; R192-V194 PolarHBondContact O-N 2.85Å | ||
| 193 | T | 29.7 | Very low | 55.3 | Low | 131 Ų | 131 | 103 Ų | 103 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | trans | -66.1 | 102.3 | 172.2 | 38.8 | 0 | 0 | 0 | 0 | 108.1 | C191 S195 | C191-T193 PolarHBondContact O-N 2.97Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 3.49Å | ||
| 194 | V | 29.7 | Very low | 52.5 | Low | 133 Ų | 133 | 107.3 Ų | 107.3 | 81% | 0.806 | 57% | 0.573 | S | S | * | * | trans | -64.1 | 95.9 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | R192 K196 | R192-V194 PolarHBondContact O-N 2.85Å; V194-K196 PolarHBondContact O-N 2.99Å | ||
| 195 | S | 28.6 | Very low | 50.1 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | trans | -61.4 | 119.4 | 172.8 | 46.3 | 0 | 0 | 0 | 0 | 107.6 | T193 P197 | T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 3.49Å; S195-P197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | K | 26.8 | Very low | 47.3 | Very low | 192 Ų | 192 | 114.8 Ų | 114.8 | 84% | 0.835 | 62% | 0.622 | S | S | * | * | trans | -50.1 | 124.1 | -179.4 | -70.9 | -172.5 | 176.3 | -173.7 | 0 | 108.9 | V194 K198 | V194-K196 PolarHBondContact O-N 2.99Å; K196-K198 PolarHBondContact O-N 2.98Å | ||
| 197 | P | 31.4 | Very low | 44.1 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 65% | 0.651 | S | S | * | * | trans | -61.9 | 114.9 | -176.5 | 23.8 | -32.9 | 0 | 0 | 0 | 109.1 | S195 S199 | S195-P197 VanDerWaalsContact O-N 3.13Å; P197-S199 PolarHBondContact O-N 3.34Å | ||
| 198 | K | 35.4 | Very low | 41.3 | Very low | 204 Ų | 204 | 123.8 Ų | 123.8 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | trans | -71.1 | 112.7 | 170 | -75.9 | -175.3 | 176.9 | 179.2 | 0 | 107.5 | K196 N200 | K196-K198 PolarHBondContact O-N 2.98Å; K198-N200 PolarHBondContact O-N 2.8Å | ||
| 199 | S | 32.5 | Very low | 38.2 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -55.6 | 120.9 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | P197 | P197-S199 PolarHBondContact O-N 3.34Š| ||
| 200 | N | 37.5 | Very low | 35.3 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | -159.4 | 116 | 158.8 | -105.3 | -25.8 | 0 | 0 | 0 | 110.8 | K198 | K198-N200 PolarHBondContact O-N 2.8Š| ||
| 201 | K | 35.7 | Very low | 33.7 | Very low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | 45.3 | 128.2 | 170.3 | -76.2 | -173.1 | 169.6 | -173.9 | 0 | 119.5 | T203 | K201-T203 PolarHBondContact O-N 3.44Š| ||
| 202 | P | 34.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -64.1 | 137 | 156.8 | 31.4 | -32.9 | 0 | 0 | 0 | 109 | ||||
| 203 | T | 39.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 133 Ų | 133 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -140.9 | 123.1 | 166.8 | -46.8 | 0 | 0 | 0 | 0 | 105.6 | K201 I205 | K201-T203 PolarHBondContact O-N 3.44Å; T203-I205 PolarHBondContact O-N 3Å; T203-I205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | D | 34.3 | Very low | 35.7 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -68.1 | 115 | -169.3 | -58.5 | -71.3 | 0 | 0 | 0 | 111.5 | ||||
| 205 | I | 40.9 | Very low | 38 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -126.4 | 133.1 | 169.8 | -61.4 | 177.5 | 0 | 0 | 0 | 105.3 | T203 S207 | T203-I205 PolarHBondContact O-N 3Å; T203-I205 VanDerWaalsContact O-N 3.15Å; I205-S207 PolarHBondContact O-N 2.99Å | ||
| 206 | P | 35.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | trans | -54.9 | 130.1 | -174.6 | -27.5 | 35.3 | 0 | 0 | 0 | 112.5 | ||||
| 207 | S | 25.9 | Very low | 43.1 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -58.9 | 132.1 | 170.6 | 52.1 | 0 | 0 | 0 | 0 | 110 | I205 S209 | I205-S207 PolarHBondContact O-N 2.99Å; S207-S209 VanDerWaalsContact C-N 3.33Å; S207-S209 PolarHBondContact O-N 3.18Å | ||
| 208 | P | 34.4 | Very low | 45.6 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | trans | -69 | 93 | 170 | 28.8 | -33.1 | 0 | 0 | 0 | 109.2 | ||||
| 209 | S | 27.7 | Very low | 48 | Very low | 93 Ų | 93 | 104.7 Ų | 104.7 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | trans | -71 | 135.7 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | S207 | S207-S209 VanDerWaalsContact C-N 3.33Å; S207-S209 PolarHBondContact O-N 3.18Å | ||
| 210 | S | 27.6 | Very low | 50.6 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 78% | 0.783 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 53.9 | 83.5 | 157.1 | 59.5 | 0 | 0 | 0 | 0 | 118.3 | ||
| 211 | S | 33.8 | Very low | 52.8 | Low | 113 Ų | 113 | 98.2 Ų | 98.2 | 79% | 0.79 | 58% | 0.58 | S | S | * | * | trans | -150.3 | 49.2 | 145.8 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | F213 | S211-F213 PolarHBondContact O-N 3.04Š| ||
| 212 | S | 40.7 | Very low | 55 | Low | 107 Ų | 107 | 89.5 Ų | 89.5 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | trans | -79.4 | 104.9 | -177.1 | -179 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 213 | F | 50.5 | Low | 57.3 | Low | 131 Ų | 131 | 84.1 Ų | 84.1 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | trans | 54.9 | 98.9 | 162.2 | -78.3 | -86.4 | 0 | 0 | 0 | 118.3 | S211 E216 | S211-F213 PolarHBondContact O-N 3.04Å; F213-E216 HydrophobicContact CB-CB 4.4Å; F213-E216 HydrophobicContact CD1-CB 3.56Å; F213-E216 HydrophobicContact CE1-CB 4.22Å; F213-E216 HydrophobicContact CG-CB 4.33Å | ||
| 214 | D | 67.6 | Low | 59.3 | Low | 93 Ų | 93 | 83.4 Ų | 83.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -102.7 | -32.1 | 152.9 | -175.5 | 38.1 | 0 | 0 | 0 | 111.6 | L45 E216 S217 F218 | L45-D214 HydrophobicContact CD2-CB 3.97Å; L45-D214 WeakPolarHBondContact CD2-OD2 3.26Å; D214-E216 VanDerWaalsContact C-N 3.28Å; D214-E216 PolarHBondContact O-N 2.76Å; D214-S217 WeakPolarHBondContact O-CA 3.28Å; D214-S217 WeakPolarHBondContact O-CB 3.36Å; D214-S217 PolarHBondContact O-N 2.94Å; D214-F218 PolarHBondContact O-N 3.07Å |
| 215 | F | 76.8 | Confident | 61.4 | Low | 37 Ų | 37 | 79.6 Ų | 79.6 | 16% | 0.162 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.1 | -27.8 | -178.9 | 179.8 | -108.3 | 0 | 0 | 0 | 114.8 | L30 I41 L45 F218 L219 | L30-F215 HydrophobicContact CD1-CE1 3.63Å; L30-F215 HydrophobicContact CD1-CZ 3.67Å; I41-F215 HydrophobicContact CD1-CZ 4.49Å; I41-F215 HydrophobicContact CG2-CD2 3.76Å; I41-F215 HydrophobicContact CG2-CE2 3.6Å; I41-F215 HydrophobicContact CG2-CZ 4.27Å; L45-F215 HydrophobicContact CD1-CD2 3.91Å; L45-F215 HydrophobicContact CD2-CB 4.14Å; F215-F218 AromaticContact CD2-CD1 3.85Å; F215-F218 HydrophobicContact CD2-CD1 3.85Å; F215-F218 AromaticContact CE2-CD1 3.7Å; F215-F218 HydrophobicContact CE2-CD1 3.7Å; F215-F218 HydrophobicContact CE2-CE1 4.05Å; F215-L219 HydrophobicContact CD1-CD1 4.13Å; F215-L219 HydrophobicContact CD1-CG 4.46Å; F215-L219 HydrophobicContact CE1-CD1 3.45Å; F215-L219 VanDerWaalsContact CE1-CD1 3.45Å; F215-L219 HydrophobicContact CE1-CG 3.92Å; F215-L219 HydrophobicContact CE2-CD2 4.36Å; F215-L219 HydrophobicContact CE2-CG 4.19Å; F215-L219 HydrophobicContact CZ-CD1 3.72Å; F215-L219 HydrophobicContact CZ-CD2 3.96Å; F215-L219 HydrophobicContact CZ-CG 3.77Å; F215-L219 WeakPolarHBondContact O-CG 3.31Å; F215-L219 PolarHBondContact O-N 2.85Å |
| 216 | E | 81.7 | Confident | 63.4 | Low | 77 Ų | 77 | 72.9 Ų | 72.9 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.2 | -31.1 | 170.8 | 176.8 | 165.4 | -157.1 | 0 | 0 | 111.7 | I27 F213 D214 L219 C220 | I27-E216 HydrophobicContact CD1-CB 4.07Å; I27-E216 HydrophobicContact CD1-CG 3.73Å; F213-E216 HydrophobicContact CB-CB 4.4Å; F213-E216 HydrophobicContact CD1-CB 3.56Å; F213-E216 HydrophobicContact CE1-CB 4.22Å; F213-E216 HydrophobicContact CG-CB 4.33Å; D214-E216 VanDerWaalsContact C-N 3.28Å; D214-E216 PolarHBondContact O-N 2.76Å; E216-L219 PolarHBondContact O-N 2.95Å; E216-C220 WeakPolarHBondContact O-CB 3.44Å; E216-C220 PolarHBondContact O-N 2.92Å; E216-C220 PolarHBondContact O-SG 2.77Å |
| 217 | S | 82.3 | Confident | 65.5 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 110.8 | D214 L219 C220 D221 | D214-S217 WeakPolarHBondContact O-CA 3.28Å; D214-S217 WeakPolarHBondContact O-CB 3.36Å; D214-S217 PolarHBondContact O-N 2.94Å; S217-L219 PolarHBondContact O-N 3.18Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 2.91Å; S217-D221 WeakPolarHBondContact O-CB 3.47Å; S217-D221 PolarHBondContact O-N 2.76Å |
| 218 | F | 83.6 | Confident | 67.9 | Low | 13 Ų | 13 | 71.9 Ų | 71.9 | 6% | 0.057 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 172.8 | 166.5 | -98.8 | 0 | 0 | 0 | 112.5 | L45 L48 F60 F69 D214 F215 C220 D221 M222 | L45-F218 HydrophobicContact CD1-CB 3.85Å; L45-F218 HydrophobicContact CD1-CD1 4.22Å; L45-F218 HydrophobicContact CD1-CD2 4.43Å; L45-F218 HydrophobicContact CD1-CG 3.9Å; L48-F218 HydrophobicContact CB-CD2 4.47Å; L48-F218 HydrophobicContact CB-CE2 3.85Å; L48-F218 HydrophobicContact CB-CZ 4.05Å; L48-F218 HydrophobicContact CD1-CZ 4.5Å; L48-F218 WeakPolarHBondContact O-CE2 3.34Å; F60-F218 HydrophobicContact CE2-CE2 4.43Å; F60-F218 HydrophobicContact CZ-CZ 4.45Å; F69-F218 HydrophobicContact CE1-CE1 4.43Å; F69-F218 HydrophobicContact CE1-CZ 4.38Å; F69-F218 HydrophobicContact CZ-CE1 4.25Å; D214-F218 PolarHBondContact O-N 3.07Å; F215-F218 AromaticContact CD2-CD1 3.85Å; F215-F218 HydrophobicContact CD2-CD1 3.85Å; F215-F218 AromaticContact CE2-CD1 3.7Å; F215-F218 HydrophobicContact CE2-CD1 3.7Å; F215-F218 HydrophobicContact CE2-CE1 4.05Å; F218-C220 PolarHBondContact O-N 3.01Å; F218-D221 PolarHBondContact O-N 3.23Å; F218-M222 HydrophobicContact CE1-SD 4.25Å; F218-M222 HydrophobicContact CZ-SD 4.07Å; F218-M222 VanDerWaalsContact O-CB 3.3Å; F218-M222 WeakPolarHBondContact O-CB 3.38Å; F218-M222 PolarHBondContact O-N 3.06Å |
| 219 | L | 86 | Confident | 69.8 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.2 | -74.7 | -179.1 | 0 | 0 | 0 | 112.3 | I8 V23 V26 I27 L30 F215 E216 S217 M222 L223 | I8-L219 HydrophobicContact CD1-CD2 4.09Å; V23-L219 HydrophobicContact CG1-CB 4.44Å; V26-L219 HydrophobicContact CG1-CD1 3.88Å; V26-L219 HydrophobicContact CG1-CD2 4.04Å; I27-L219 HydrophobicContact CD1-CD1 4.26Å; I27-L219 HydrophobicContact CG1-CD1 3.53Å; L30-L219 HydrophobicContact CD1-CD1 4Å; F215-L219 HydrophobicContact CD1-CD1 4.13Å; F215-L219 HydrophobicContact CD1-CG 4.46Å; F215-L219 HydrophobicContact CE1-CD1 3.45Å; F215-L219 VanDerWaalsContact CE1-CD1 3.45Å; F215-L219 HydrophobicContact CE1-CG 3.92Å; F215-L219 HydrophobicContact CE2-CD2 4.36Å; F215-L219 HydrophobicContact CE2-CG 4.19Å; F215-L219 HydrophobicContact CZ-CD1 3.72Å; F215-L219 HydrophobicContact CZ-CD2 3.96Å; F215-L219 HydrophobicContact CZ-CG 3.77Å; F215-L219 WeakPolarHBondContact O-CG 3.31Å; F215-L219 PolarHBondContact O-N 2.85Å; E216-L219 PolarHBondContact O-N 2.95Å; S217-L219 PolarHBondContact O-N 3.18Å; L219-M222 HydrophobicContact CD2-CE 3.71Å; L219-L223 VanDerWaalsContact O-CB 3.23Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 WeakPolarHBondContact O-CD1 3.36Å; L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 2.84Å |
| 220 | C | 85.5 | Confident | 72.1 | Confident | 55 Ų | 55 | 65 Ų | 65 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -52.5 | 172.2 | -76.8 | 0 | 0 | 0 | 0 | 111.4 | E216 S217 F218 M222 L223 T224 | E216-C220 WeakPolarHBondContact O-CB 3.44Å; E216-C220 PolarHBondContact O-N 2.92Å; E216-C220 PolarHBondContact O-SG 2.77Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 2.91Å; F218-C220 PolarHBondContact O-N 3.01Å; C220-M222 VanDerWaalsContact C-N 3.34Å; C220-M222 PolarHBondContact O-N 2.84Å; C220-L223 CarbonylContact O-C 3.58Å; C220-L223 PolarHBondContact O-N 3.4Å; C220-L223 VanDerWaalsContact O-N 3.07Å; C220-T224 WeakPolarHBondContact O-CG2 3.05Å; C220-T224 PolarHBondContact O-N 2.9Å |
| 221 | D | 84.1 | Confident | 74 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -32.1 | 179.1 | 173.4 | 61.9 | 0 | 0 | 0 | 113.6 | S217 F218 T224 K225 | S217-D221 WeakPolarHBondContact O-CB 3.47Å; S217-D221 PolarHBondContact O-N 2.76Å; F218-D221 PolarHBondContact O-N 3.23Å; D221-T224 PolarHBondContact O-OG1 3.42Å; D221-K225 WeakPolarHBondContact O-CD 3.34Å; D221-K225 WeakPolarHBondContact O-CE 3.28Å; D221-K225 PolarHBondContact O-NZ 3.14Å; D221-K225 IonicContact OD1-NZ 3.66Å; D221-K225 PolarHBondContact OD1-NZ 3.16Å; D221-K225 IonicContact OD2-NZ 3.88Å; D221-K225 PolarHBondContact OD2-NZ 3.07Å |
| 222 | M | 82.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.9 | -37 | 171.1 | -171.7 | -174 | 70.5 | 0 | 0 | 111.2 | I8 F60 F69 T71 F218 L219 C220 K225 | I8-M222 HydrophobicContact CD1-CE 4.15Å; F60-M222 HydrophobicContact CB-CG 4.38Å; F60-M222 HydrophobicContact CB-SD 4.26Å; F60-M222 HydrophobicContact CG-SD 4.41Å; F69-M222 HydrophobicContact CE1-SD 4.34Å; T71-M222 HydrophobicContact CG2-CE 3.78Å; T71-M222 HydrophobicContact CG2-SD 4.15Å; T71-M222 PolarHBondContact OG1-SD 3.01Å; F218-M222 HydrophobicContact CE1-SD 4.25Å; F218-M222 HydrophobicContact CZ-SD 4.07Å; F218-M222 VanDerWaalsContact O-CB 3.3Å; F218-M222 WeakPolarHBondContact O-CB 3.38Å; F218-M222 PolarHBondContact O-N 3.06Å; L219-M222 HydrophobicContact CD2-CE 3.71Å; C220-M222 VanDerWaalsContact C-N 3.34Å; C220-M222 PolarHBondContact O-N 2.84Å; M222-K225 PolarHBondContact O-N 3.35Å |
| 223 | L | 81.7 | Confident | 75.8 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -87.7 | -10.5 | -177 | -65.4 | 167.1 | 0 | 0 | 0 | 114 | L10 V23 L219 C220 L226 | L10-L223 HydrophobicContact CD1-CD2 3.45Å; L10-L223 VanDerWaalsContact CD1-CD2 3.45Å; L10-L223 HydrophobicContact CD2-CD2 4.28Å; V23-L223 HydrophobicContact CB-CD1 4.11Å; V23-L223 HydrophobicContact CG1-CD1 4.49Å; V23-L223 HydrophobicContact CG2-CB 4.36Å; V23-L223 HydrophobicContact CG2-CD1 3.67Å; L219-L223 VanDerWaalsContact O-CB 3.23Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 WeakPolarHBondContact O-CD1 3.36Å; L219-L223 WeakPolarHBondContact O-CG 3.47Å; L219-L223 PolarHBondContact O-N 2.84Å; C220-L223 CarbonylContact O-C 3.58Å; C220-L223 PolarHBondContact O-N 3.4Å; C220-L223 VanDerWaalsContact O-N 3.07Å; L223-L226 HydrophobicContact CB-CD1 4.29Å; L223-L226 HydrophobicContact CB-CG 4.49Å; L223-L226 HydrophobicContact CD2-CD1 3.83Å; L223-L226 HydrophobicContact CD2-CD2 4.33Å; L223-L226 HydrophobicContact CD2-CG 4.07Å; L223-L226 WeakPolarHBondContact O-CB 3.39Å; L223-L226 VanDerWaalsContact O-CG 3.26Å; L223-L226 WeakPolarHBondContact O-CG 3.19Å; L223-L226 PolarHBondContact O-N 2.74Å |
| 224 | T | 82.3 | Confident | 75.9 | Confident | 98 Ų | 98 | 50.7 Ų | 50.7 | 60% | 0.601 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20 | 164 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | C220 D221 L226 | C220-T224 WeakPolarHBondContact O-CG2 3.05Å; C220-T224 PolarHBondContact O-N 2.9Å; D221-T224 PolarHBondContact O-OG1 3.42Å; T224-L226 PolarHBondContact O-N 2.78Å |
| 225 | K | 79.6 | Confident | 74.9 | Confident | 83 Ų | 83 | 51 Ų | 51 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5.6 | 176.7 | -61.6 | 157.7 | -164.9 | 140.6 | 0 | 112.9 | N51 I59 D221 M222 | N51-K225 PolarHBondContact OD1-NZ 3.27Å; I59-K225 HydrophobicContact CG2-CB 4.26Å; D221-K225 WeakPolarHBondContact O-CD 3.34Å; D221-K225 WeakPolarHBondContact O-CE 3.28Å; D221-K225 PolarHBondContact O-NZ 3.14Å; D221-K225 IonicContact OD1-NZ 3.66Å; D221-K225 PolarHBondContact OD1-NZ 3.16Å; D221-K225 IonicContact OD2-NZ 3.88Å; D221-K225 PolarHBondContact OD2-NZ 3.07Å; M222-K225 PolarHBondContact O-N 3.35Å |
| 226 | L | 82.8 | Confident | 73.7 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -63.2 | 139.9 | 167.3 | -75.5 | -176.9 | 0 | 0 | 0 | 110.7 | L10 K19 L22 I59 L223 T224 Y230 | L10-L226 HydrophobicContact CD1-CD2 3.79Å; K19-L226 VanDerWaalsContact CE-CB 3.49Å; K19-L226 HydrophobicContact CG-CD1 4.15Å; K19-L226 PolarHBondContact NZ-O 3.11Å; L22-L226 HydrophobicContact CD1-CD1 4.01Å; I59-L226 HydrophobicContact CD1-CD2 3.46Å; I59-L226 VanDerWaalsContact CD1-CD2 3.46Å; I59-L226 HydrophobicContact CG1-CD2 4.33Å; L223-L226 HydrophobicContact CB-CD1 4.29Å; L223-L226 HydrophobicContact CB-CG 4.49Å; L223-L226 HydrophobicContact CD2-CD1 3.83Å; L223-L226 HydrophobicContact CD2-CD2 4.33Å; L223-L226 HydrophobicContact CD2-CG 4.07Å; L223-L226 WeakPolarHBondContact O-CB 3.39Å; L223-L226 VanDerWaalsContact O-CG 3.26Å; L223-L226 WeakPolarHBondContact O-CG 3.19Å; L223-L226 PolarHBondContact O-N 2.74Å; T224-L226 PolarHBondContact O-N 2.78Å; L226-Y230 HydrophobicContact CB-CD2 4.13Å; L226-Y230 HydrophobicContact CD1-CD2 3.77Å; L226-Y230 HydrophobicContact CD1-CE2 3.87Å; L226-Y230 HydrophobicContact CD2-CD2 3.93Å; L226-Y230 HydrophobicContact CD2-CE2 3.72Å; L226-Y230 HydrophobicContact CG-CD2 4.16Å; L226-Y230 HydrophobicContact CG-CE2 4.31Å |
| 227 | P | 79.6 | Confident | 72.5 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | trans | -48.8 | 145.7 | 173 | -27.5 | 35 | 0 | 0 | 0 | 112.7 | K19 P229 Y230 | K19-P227 PolarHBondContact NZ-O 3.18Å; P227-P229 CarbonylContact C-O 3.5Å; P227-P229 CarbonylContact O-C 3.59Å; P227-P229 VanDerWaalsContact O-C 3.3Å; P227-Y230 WeakPolarHBondContact O-CA 3.35Å; P227-Y230 PolarHBondContact O-N 3.17Å; P227-Y230 VanDerWaalsContact O-N 3.1Å | ||
| 228 | D | 76.5 | Confident | 71.8 | Confident | 130 Ų | 130 | 52.5 Ų | 52.5 | 70% | 0.695 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -121.9 | 115.6 | 169.4 | -85.9 | -58.8 | 0 | 0 | 0 | 109.1 | K19 | K19-D228 IonicContact NZ-OD1 2.62Å; K19-D228 PolarHBondContact NZ-OD1 3.1Å; K19-D228 IonicContact NZ-OD2 3.41Å; K19-D228 PolarHBondContact NZ-OD2 3.47Å |
| 229 | P | 73.9 | Confident | 71.1 | Confident | 78 Ų | 78 | 57 Ų | 57 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | S | Bend | cis | -69.8 | 151.7 | -3.9 | 35.3 | -38.3 | 0 | 0 | 0 | 111.7 | E16 P227 S231 | E16-P229 HydrophobicContact CG-CB 4.48Å; E16-P229 WeakPolarHBondContact OE2-CA 3.46Å; P227-P229 CarbonylContact C-O 3.5Å; P227-P229 CarbonylContact O-C 3.59Å; P227-P229 VanDerWaalsContact O-C 3.3Å; P229-S231 WeakPolarHBondContact CB-O 3.42Å |
| 230 | Y | 75.4 | Confident | 70.3 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -69.6 | -44 | -179.3 | 171.8 | -90.3 | 0 | 0 | 0 | 111.2 | L10 G11 L13 E16 L22 C73 R74 L226 P227 | L10-Y230 WeakPolarHBondContact CB-OH 3.11Å; L10-Y230 PolarHBondContact O-OH 3.33Å; G11-Y230 WeakPolarHBondContact O-CE1 3.02Å; G11-Y230 PolarHBondContact O-OH 3.2Å; L13-Y230 HydrophobicContact CD1-CD1 3.47Å; L13-Y230 VanDerWaalsContact CD1-CD1 3.47Å; L13-Y230 HydrophobicContact CD1-CE1 3.81Å; L13-Y230 HydrophobicContact CD1-CG 4.22Å; L13-Y230 HydrophobicContact CG-CD1 3.8Å; L13-Y230 HydrophobicContact CG-CE1 3.66Å; E16-Y230 PolarHBondContact OE2-N 3.2Å; L22-Y230 HydrophobicContact CD1-CE2 4.09Å; C73-Y230 WeakPolarHBondContact SG-CE2 3.43Å; R74-Y230 WeakPolarHBondContact CD-O 3.48Å; R74-Y230 HydrophobicContact CG-CE1 3.8Å; R74-Y230 HydrophobicContact CG-CE2 4.39Å; L226-Y230 HydrophobicContact CB-CD2 4.13Å; L226-Y230 HydrophobicContact CD1-CD2 3.77Å; L226-Y230 HydrophobicContact CD1-CE2 3.87Å; L226-Y230 HydrophobicContact CD2-CD2 3.93Å; L226-Y230 HydrophobicContact CD2-CE2 3.72Å; L226-Y230 HydrophobicContact CG-CD2 4.16Å; L226-Y230 HydrophobicContact CG-CE2 4.31Å; P227-Y230 WeakPolarHBondContact O-CA 3.35Å; P227-Y230 PolarHBondContact O-N 3.17Å; P227-Y230 VanDerWaalsContact O-N 3.1Å |
| 231 | S | 67.3 | Low | 69.7 | Low | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -113.4 | 145.7 | 167.5 | 68.1 | 0 | 0 | 0 | 0 | 109.6 | E16 R74 P229 L234 | E16-S231 WeakPolarHBondContact OE1-CB 3.49Å; E16-S231 PolarHBondContact OE1-N 3.1Å; E16-S231 PolarHBondContact OE1-OG 3.48Å; R74-S231 VanDerWaalsContact NH1-CB 3.3Å; P229-S231 WeakPolarHBondContact CB-O 3.42Å; S231-L234 WeakPolarHBondContact OG-CD1 3.49Å |
| 232 | P | 62.1 | Low | 68.9 | Low | 61 Ų | 61 | 59.2 Ų | 59.2 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | trans | -57.5 | 124.7 | 160.1 | 26.9 | -32.1 | 0 | 0 | 0 | 106.8 | L234 | P232-L234 PolarHBondContact O-N 2.95Š| ||
| 233 | P | 49.6 | Very low | 68.1 | Low | 58 Ų | 58 | 65.9 Ų | 65.9 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | trans | -58.2 | 125.8 | -162.8 | 19.4 | -32.3 | 0 | 0 | 0 | 110.9 | S235 Q236 | P233-S235 PolarHBondContact O-N 2.98Å; P233-Q236 WeakPolarHBondContact O-CB 3.37Å; P233-Q236 PolarHBondContact O-N 3.22Å | ||
| 234 | L | 53.5 | Low | 67.6 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.8 | -175.3 | -67.3 | 84.6 | 0 | 0 | 0 | 112.8 | L13 S231 P232 Q236 H283 | L13-L234 WeakPolarHBondContact O-CD1 3.43Å; L13-L234 WeakPolarHBondContact O-CD2 3.46Å; S231-L234 WeakPolarHBondContact OG-CD1 3.49Å; P232-L234 PolarHBondContact O-N 2.95Å; L234-Q236 VanDerWaalsContact C-N 3.28Å; L234-H283 HydrophobicContact CD2-CB 4.25Å |
| 235 | S | 46.9 | Very low | 67.1 | Low | 101 Ų | 101 | 69.4 Ų | 69.4 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.8 | 170.8 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | P233 T237 | P233-S235 PolarHBondContact O-N 2.98Å; S235-T237 VanDerWaalsContact C-N 3.29Å; S235-T237 PolarHBondContact O-N 3.36Å |
| 236 | Q | 51.2 | Low | 66.9 | Low | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | trans | -65.7 | 91.3 | 170.9 | -173.4 | 171.9 | 38.7 | 0 | 0 | 109.2 | P233 L234 L238 | P233-Q236 WeakPolarHBondContact O-CB 3.37Å; P233-Q236 PolarHBondContact O-N 3.22Å; L234-Q236 VanDerWaalsContact C-N 3.28Å; Q236-L238 PolarHBondContact O-N 3.13Å; Q236-L238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | T | 57.1 | Low | 66.6 | Low | 79 Ų | 79 | 69.3 Ų | 69.3 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | trans | -40.7 | 122.9 | 167 | -86 | 0 | 0 | 0 | 0 | 109.1 | S235 V239 K322 | S235-T237 VanDerWaalsContact C-N 3.29Å; S235-T237 PolarHBondContact O-N 3.36Å; T237-V239 PolarHBondContact O-N 2.74Å; T237-K322 PolarHBondContact OG1-NZ 3.5Å | ||
| 238 | L | 67.9 | Low | 66.7 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | trans | -56.4 | 117.4 | 173.7 | -66 | 177 | 0 | 0 | 0 | 108 | Q236 M240 W288 T315 I316 T319 | Q236-L238 PolarHBondContact O-N 3.13Å; Q236-L238 VanDerWaalsContact O-N 3.15Å; L238-M240 PolarHBondContact O-N 3.16Å; L238-M240 VanDerWaalsContact O-N 3.07Å; L238-W288 HydrophobicContact CB-CD2 4.23Å; L238-W288 HydrophobicContact CB-CG 4.38Å; L238-W288 HydrophobicContact CB-CZ2 4.25Å; L238-W288 HydrophobicContact CD1-CB 4.42Å; L238-W288 HydrophobicContact CD1-CD2 3.83Å; L238-W288 HydrophobicContact CD1-CE3 4.16Å; L238-W288 HydrophobicContact CD1-CG 3.91Å; L238-W288 HydrophobicContact CD2-CG 4.21Å; L238-W288 HydrophobicContact CG-CG 4.41Å; L238-T315 WeakPolarHBondContact CD1-O 3.47Å; L238-I316 HydrophobicContact CD1-CG1 4.48Å; L238-T319 HydrophobicContact CB-CG2 3.96Å; L238-T319 VanDerWaalsContact O-CG2 3.31Å; L238-T319 WeakPolarHBondContact O-CG2 3.4Å | ||
| 239 | V | 67.1 | Low | 66.7 | Low | 106 Ų | 106 | 65.4 Ų | 65.4 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | trans | -70.1 | 109.3 | -173.7 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | T237 N292 | T237-V239 PolarHBondContact O-N 2.74Å; V239-N292 PolarHBondContact O-ND2 3.06Å | ||
| 240 | M | 70.7 | Confident | 67.1 | Low | 74 Ų | 74 | 62.4 Ų | 62.4 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 140.5 | 169.4 | -55.4 | -161.6 | -51.6 | 0 | 0 | 108.9 | L238 W288 N292 T319 K322 | L238-M240 PolarHBondContact O-N 3.16Å; L238-M240 VanDerWaalsContact O-N 3.07Å; M240-W288 HydrophobicContact CG-CZ2 4.31Å; M240-N292 WeakPolarHBondContact CA-OD1 3.37Å; M240-T319 HydrophobicContact CG-CG2 3.57Å; M240-T319 HydrophobicContact SD-CG2 3.93Å; M240-K322 HydrophobicContact CE-CB 4.41Å |
| 241 | R | 71.6 | Confident | 67.5 | Low | 52 Ų | 52 | 66 Ų | 66 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 163.3 | 171.5 | -67.9 | -170 | -47.8 | 130 | 20 | 111.2 | D245 L246 N292 Y293 | R241-D245 HydrophobicContact CB-CB 4.18Å; R241-D245 WeakPolarHBondContact CB-OD2 3.41Å; R241-L246 PolarHBondContact NH1-O 3.49Å; R241-L246 PolarHBondContact NH2-O 2.89Å; R241-N292 PolarHBondContact N-OD1 3.24Å; R241-N292 PolarHBondContact NE-O 2.87Å; R241-N292 PolarHBondContact NH2-O 2.88Å; R241-Y293 VanDerWaalsContact NH1-CE1 3.32Å |
| 242 | S | 67.5 | Low | 68.4 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 144.9 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 110 | T244 D245 | S242-T244 WeakPolarHBondContact CB-OG1 3.24Å; S242-T244 PolarHBondContact O-N 2.96Å; S242-T244 PolarHBondContact OG-N 3.33Å; S242-T244 PolarHBondContact OG-OG1 3.02Å; S242-D245 WeakPolarHBondContact CB-OD2 3.33Å; S242-D245 PolarHBondContact N-OD2 3.41Å; S242-D245 WeakPolarHBondContact O-CB 3.47Å; S242-D245 PolarHBondContact O-N 3.31Å |
| 243 | P | 66.7 | Low | 69.8 | Low | 139 Ų | 139 | 68 Ų | 68 | 90% | 0.903 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.7 | 168.1 | -24.7 | 35.2 | 0 | 0 | 0 | 114.3 | ||
| 244 | T | 70.4 | Confident | 72 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10.9 | 172.7 | 59 | 0 | 0 | 0 | 0 | 114.2 | S242 | S242-T244 WeakPolarHBondContact CB-OG1 3.24Å; S242-T244 PolarHBondContact O-N 2.96Å; S242-T244 PolarHBondContact OG-N 3.33Å; S242-T244 PolarHBondContact OG-OG1 3.02Å |
| 245 | D | 72.1 | Confident | 74 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -82.5 | 141.4 | -174.5 | -60.6 | -20.5 | 0 | 0 | 0 | 110.5 | R241 S242 T247 | R241-D245 HydrophobicContact CB-CB 4.18Å; R241-D245 WeakPolarHBondContact CB-OD2 3.41Å; S242-D245 WeakPolarHBondContact CB-OD2 3.33Å; S242-D245 PolarHBondContact N-OD2 3.41Å; S242-D245 WeakPolarHBondContact O-CB 3.47Å; S242-D245 PolarHBondContact O-N 3.31Å; D245-T247 PolarHBondContact O-N 3.23Å |
| 246 | L | 75.2 | Confident | 76.3 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.199 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 129.4 | -172.9 | -64.6 | 164.6 | 0 | 0 | 0 | 111.2 | R241 L708 | R241-L246 PolarHBondContact NH1-O 3.49Å; R241-L246 PolarHBondContact NH2-O 2.89Å; L246-L708 HydrophobicContact CB-CD2 4.02Å; L246-L708 HydrophobicContact CD1-CB 4.28Å; L246-L708 HydrophobicContact CD1-CD1 4.19Å; L246-L708 HydrophobicContact CD1-CD2 4.47Å |
| 247 | T | 77 | Confident | 78.5 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -97 | 143.6 | 179.1 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | D245 K249 Y293 D295 | D245-T247 PolarHBondContact O-N 3.23Å; T247-K249 PolarHBondContact O-N 3.13Å; T247-Y293 CarbonylContact C-O 3.56Å; T247-Y293 WeakPolarHBondContact CA-O 3.26Å; T247-D295 HydrophobicContact CG2-CB 4.44Å |
| 248 | L | 80.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 115.3 | 169.6 | -74 | 171.5 | 0 | 0 | 0 | 109 | Y293 L294 I952 | L248-Y293 PolarHBondContact N-O 2.9Å; L248-L294 HydrophobicContact CB-CD2 4.49Å; L248-I952 HydrophobicContact CD1-CD1 3.99Å |
| 249 | K | 77.3 | Confident | 81.4 | Confident | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | trans | -97.4 | 92.6 | 174.8 | -72.1 | -175.5 | -178.9 | 180 | 0 | 109.9 | T247 S251 | T247-K249 PolarHBondContact O-N 3.13Å; K249-S251 PolarHBondContact O-N 2.93Å | ||
| 250 | V | 82.8 | Confident | 82.4 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | trans | -64.9 | 102.6 | -178.2 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | K252 A269 L294 | V250-K252 WeakPolarHBondContact CG1-O 3.5Å; V250-A269 HydrophobicContact CB-CB 4.33Å; V250-A269 HydrophobicContact CG1-CB 3.92Å; V250-A269 HydrophobicContact CG2-CB 3.93Å; V250-L294 HydrophobicContact CG2-CD2 4.39Å | ||
| 251 | S | 82.8 | Confident | 83.1 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 57% | 0.573 | 23% | 0.23 | S | C | * | . | trans | -79.7 | -26 | -173 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | K249 D706 | K249-S251 PolarHBondContact O-N 2.93Å; S251-D706 PolarHBondContact N-OD1 3.37Å; S251-D706 PolarHBondContact OG-OD1 3.18Å | ||
| 252 | K | 86.6 | Confident | 83.8 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -134.2 | 151.8 | 179.9 | -75.9 | 177.3 | 155.5 | -164.5 | 0 | 110.1 | V250 C254 C975 | V250-K252 WeakPolarHBondContact CG1-O 3.5Å; K252-C254 PolarHBondContact O-N 2.88Å; K252-C975 WeakPolarHBondContact CD-O 2.92Å; K252-C975 WeakPolarHBondContact CE-O 3.13Å; K252-C975 PolarHBondContact NZ-O 2.73Å; K252-C975 PolarHBondContact NZ-OXT 3.34Å |
| 253 | P | 92.2 | Very high | 84.8 | Confident | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | trans | -53.4 | 123.2 | 169.6 | -28.5 | 37.5 | 0 | 0 | 0 | 112.8 | L270 L475 L974 | P253-L270 HydrophobicContact CB-CD2 3.7Å; P253-L270 HydrophobicContact CG-CD2 4.1Å; P253-L475 HydrophobicContact CB-CD1 3.4Å; P253-L475 HydrophobicContact CG-CD1 3.87Å; P253-L974 HydrophobicContact CB-CD1 4.38Å; P253-L974 WeakPolarHBondContact O-CB 3.4Å; P253-L974 PolarHBondContact O-N 2.82Å | ||
| 254 | C | 94.7 | Very high | 86 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 167.2 | 173.3 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | K252 A269 R971 I972 | K252-C254 PolarHBondContact O-N 2.88Å; C254-A269 PolarHBondContact N-O 2.96Å; C254-A269 PolarHBondContact O-N 2.9Å; C254-R971 HydrophobicContact CB-CG 4.48Å; C254-I972 CarbonylContact C-O 3.38Å; C254-I972 WeakPolarHBondContact CA-O 3.37Å; C254-I972 VanDerWaalsContact CB-O 3.28Å; C254-I972 WeakPolarHBondContact CB-O 3.39Å |
| 255 | I | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131 | 171.2 | -178.9 | 173.3 | 0 | 0 | 0 | 109.9 | V257 I267 F479 V856 F858 I972 | I255-V257 HydrophobicContact CG1-CG2 4.29Å; I255-I267 WeakPolarHBondContact CA-O 3.42Å; I255-F479 HydrophobicContact CD1-CE1 3.9Å; I255-F479 HydrophobicContact CD1-CZ 3.99Å; I255-V856 HydrophobicContact CG2-CG2 4.22Å; I255-F858 HydrophobicContact CD1-CE2 4Å; I255-F858 HydrophobicContact CD1-CZ 4.33Å; I255-I972 HydrophobicContact CG2-CB 3.73Å; I255-I972 HydrophobicContact CG2-CD1 3.81Å; I255-I972 HydrophobicContact CG2-CG1 3.94Å; I255-I972 PolarHBondContact N-O 3.07Å; I255-I972 PolarHBondContact O-N 2.9Å |
| 256 | Y | 96 | Very high | 88.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.4 | 172.2 | -57.3 | -87.4 | 0 | 0 | 0 | 109.2 | F258 S266 I267 A269 V290 I950 Y970 R971 | Y256-F258 VanDerWaalsContact CB-CZ 3.49Å; Y256-F258 HydrophobicContact CG-CZ 4.37Å; Y256-S266 CarbonylContact O-C 3.45Å; Y256-S266 WeakPolarHBondContact O-CA 3.38Å; Y256-S266 WeakPolarHBondContact O-CB 3.36Å; Y256-I267 HydrophobicContact CD2-CB 4.42Å; Y256-I267 PolarHBondContact N-O 2.94Å; Y256-I267 PolarHBondContact O-N 2.88Å; Y256-A269 HydrophobicContact CD2-CB 4.37Å; Y256-A269 HydrophobicContact CE2-CB 3.99Å; Y256-V290 HydrophobicContact CD1-CG1 4.33Å; Y256-V290 HydrophobicContact CE1-CG1 4.43Å; Y256-I950 HydrophobicContact CD1-CD1 3.75Å; Y256-I950 HydrophobicContact CD1-CG1 4.39Å; Y256-I950 HydrophobicContact CE1-CG2 4.39Å; Y256-Y970 CarbonylContact C-O 3.58Å; Y256-Y970 WeakPolarHBondContact CA-O 3.39Å; Y256-R971 HydrophobicContact CD1-CB 3.98Å; Y256-R971 HydrophobicContact CD1-CG 4.21Å; Y256-R971 HydrophobicContact CE1-CB 4.04Å; Y256-R971 HydrophobicContact CE1-CG 3.91Å; Y256-R971 PolarHBondContact OH-NH1 2.96Å; Y256-R971 VanDerWaalsContact OH-NH1 3.15Å |
| 257 | V | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140 | -180 | -166.4 | 0 | 0 | 0 | 0 | 109.2 | I255 F858 V882 I945 G969 Y970 I972 | I255-V257 HydrophobicContact CG1-CG2 4.29Å; V257-F858 HydrophobicContact CG1-CE1 4.2Å; V257-F858 HydrophobicContact CG1-CZ 4.21Å; V257-F858 HydrophobicContact CG2-CZ 4.26Å; V257-V882 HydrophobicContact CG1-CG1 3.86Å; V257-I945 HydrophobicContact CB-CD1 3.81Å; V257-I945 HydrophobicContact CG1-CD1 3.46Å; V257-I945 VanDerWaalsContact CG1-CD1 3.46Å; V257-I945 WeakPolarHBondContact O-CG2 3.41Å; V257-G969 WeakPolarHBondContact O-CA 3.28Å; V257-Y970 PolarHBondContact N-O 2.85Å; V257-Y970 PolarHBondContact O-N 2.83Å; V257-I972 HydrophobicContact CG2-CD1 4.48Å |
| 258 | F | 94.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.1 | -165.6 | -57.9 | -86.7 | 0 | 0 | 0 | 113 | Y256 E260 V265 I267 F287 V290 I950 P968 | Y256-F258 VanDerWaalsContact CB-CZ 3.49Å; Y256-F258 HydrophobicContact CG-CZ 4.37Å; F258-E260 HydrophobicContact CB-CG 4.02Å; F258-E260 PolarHBondContact O-N 3.09Å; F258-E260 VanDerWaalsContact O-N 3.1Å; F258-V265 HydrophobicContact CD2-CG1 4.17Å; F258-V265 PolarHBondContact N-O 2.81Å; F258-I267 HydrophobicContact CE2-CD1 3.98Å; F258-I267 HydrophobicContact CE2-CG1 4.01Å; F258-I267 HydrophobicContact CZ-CD1 4.19Å; F258-F287 HydrophobicContact CB-CB 3.8Å; F258-F287 HydrophobicContact CD1-CB 3.43Å; F258-F287 VanDerWaalsContact CD1-CB 3.43Å; F258-F287 HydrophobicContact CD2-CB 3.47Å; F258-F287 VanDerWaalsContact CD2-CB 3.47Å; F258-F287 HydrophobicContact CD2-CG 4.42Å; F258-F287 HydrophobicContact CE1-CB 3.76Å; F258-F287 HydrophobicContact CE2-CB 3.8Å; F258-F287 HydrophobicContact CG-CB 3.26Å; F258-F287 HydrophobicContact CZ-CB 3.92Å; F258-V290 HydrophobicContact CE1-CB 3.98Å; F258-V290 HydrophobicContact CE1-CG2 3.98Å; F258-V290 HydrophobicContact CZ-CB 4.04Å; F258-V290 HydrophobicContact CZ-CG1 4.25Å; F258-V290 HydrophobicContact CZ-CG2 4.49Å; F258-I950 HydrophobicContact CE1-CD1 3.79Å; F258-I950 HydrophobicContact CZ-CD1 4.24Å; F258-P968 WeakPolarHBondContact CD1-O 3.3Å |
| 259 | P | 91.2 | Very high | 90.9 | Very high | 17 Ų | 17 | 17.6 Ų | 17.6 | 11% | 0.11 | 10% | 0.095 | C | C | . | . | trans | -87.1 | 72.4 | -178.4 | 35.9 | -31.1 | 0 | 0 | 0 | 110.5 | G261 Y918 I945 P968 | P259-G261 VanDerWaalsContact C-N 3.28Å; P259-G261 PolarHBondContact O-N 3.44Å; P259-Y918 HydrophobicContact CB-CE1 4.32Å; P259-Y918 PolarHBondContact O-OH 2.84Å; P259-I945 HydrophobicContact CB-CB 4.46Å; P259-I945 HydrophobicContact CB-CG2 4.24Å; P259-I945 HydrophobicContact CG-CG2 4.11Å; P259-P968 HydrophobicContact CG-CB 4.11Å | ||
| 260 | E | 88.6 | Confident | 91.6 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | trans | -91.6 | 34.6 | -174.1 | -67.8 | -70.2 | 177.6 | 0 | 0 | 114.2 | F258 G263 V265 C281 S282 P285 C286 F287 | F258-E260 HydrophobicContact CB-CG 4.02Å; F258-E260 PolarHBondContact O-N 3.09Å; F258-E260 VanDerWaalsContact O-N 3.1Å; E260-G263 PolarHBondContact O-N 3.3Å; E260-V265 HydrophobicContact CB-CB 4.43Å; E260-V265 HydrophobicContact CB-CG2 3.95Å; E260-V265 HydrophobicContact CG-CB 3.89Å; E260-V265 HydrophobicContact CG-CG2 3.66Å; E260-C281 VanDerWaalsContact O-CB 3.32Å; E260-C281 WeakPolarHBondContact O-CB 3.35Å; E260-C281 PolarHBondContact O-N 3.49Å; E260-S282 VanDerWaalsContact OE2-CB 3.28Å; E260-S282 WeakPolarHBondContact OE2-CB 3.46Å; E260-P285 VanDerWaalsContact OE1-C 3.3Å; E260-P285 WeakPolarHBondContact OE1-CA 3.24Å; E260-C286 WeakPolarHBondContact OE1-CA 3.03Å; E260-C286 PolarHBondContact OE1-N 2.93Å; E260-C286 PolarHBondContact OE1-SG 2.63Å; E260-F287 HydrophobicContact CG-CD1 4.37Å; E260-F287 WeakPolarHBondContact OE1-CD1 3.07Å; E260-F287 PolarHBondContact OE1-N 3Å | ||
| 261 | G | 85.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -135 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N119 P259 G263 V886 Y918 | N119-G261 WeakPolarHBondContact O-CA 3.22Å; P259-G261 VanDerWaalsContact C-N 3.28Å; P259-G261 PolarHBondContact O-N 3.44Å; G261-G263 PolarHBondContact O-N 2.81Å; G261-V886 VanDerWaalsContact C-CG1 3.43Å; G261-V886 VanDerWaalsContact O-CG1 3.26Å; G261-V886 WeakPolarHBondContact O-CG1 3.37Å; G261-Y918 VanDerWaalsContact CA-OH 3.26Å; G261-Y918 WeakPolarHBondContact CA-OH 3.5Å; G261-Y918 PolarHBondContact N-OH 2.89Å |
| 262 | S | 86.4 | Confident | 91.9 | Very high | 25 Ų | 25 | 13.4 Ų | 13.4 | 18% | 0.175 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.6 | 165.1 | -63 | 0 | 0 | 0 | 0 | 113.4 | N119 F120 V121 | N119-S262 PolarHBondContact O-N 2.75Å; F120-S262 VanDerWaalsContact CD2-OG 3.28Å; F120-S262 WeakPolarHBondContact CD2-OG 3.48Å; V121-S262 PolarHBondContact N-OG 3.14Å |
| 263 | G | 89 | Confident | 92.1 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -90.5 | 153.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | E260 G261 D308 | E260-G263 PolarHBondContact O-N 3.3Å; G261-G263 PolarHBondContact O-N 2.81Å; G263-D308 WeakPolarHBondContact CA-O 3.11Å |
| 264 | Q | 91.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 8.7 Ų | 8.7 | 3% | 0.033 | 5% | 0.046 | C | C | . | . | trans | -95.2 | 138 | 168.5 | -57.2 | -168.9 | -6.5 | 0 | 0 | 109.7 | D278 V480 P482 S862 T884 | Q264-D278 WeakPolarHBondContact O-CB 3.38Å; Q264-V480 PolarHBondContact OE1-O 3.09Å; Q264-P482 HydrophobicContact CG-CB 4.05Å; Q264-P482 HydrophobicContact CG-CG 4.3Å; Q264-S862 PolarHBondContact NE2-OG 3.46Å; Q264-T884 HydrophobicContact CG-CG2 4.25Å; Q264-T884 WeakPolarHBondContact CG-OG1 3.12Å; Q264-T884 PolarHBondContact NE2-OG1 2.83Å | ||
| 265 | V | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.006 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139.9 | 159.9 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | F258 E260 L276 I277 G280 F287 | F258-V265 HydrophobicContact CD2-CG1 4.17Å; F258-V265 PolarHBondContact N-O 2.81Å; E260-V265 HydrophobicContact CB-CB 4.43Å; E260-V265 HydrophobicContact CB-CG2 3.95Å; E260-V265 HydrophobicContact CG-CB 3.89Å; E260-V265 HydrophobicContact CG-CG2 3.66Å; V265-L276 HydrophobicContact CG1-CD1 3.7Å; V265-I277 WeakPolarHBondContact CA-O 3.19Å; V265-G280 VanDerWaalsContact CG2-N 3.27Å; V265-F287 HydrophobicContact CB-CD1 4.18Å; V265-F287 HydrophobicContact CG1-CB 4.23Å; V265-F287 HydrophobicContact CG1-CD1 3.62Å; V265-F287 HydrophobicContact CG1-CD2 4.15Å; V265-F287 HydrophobicContact CG1-CE1 3.92Å; V265-F287 HydrophobicContact CG1-CE2 4.47Å; V265-F287 HydrophobicContact CG1-CG 3.74Å; V265-F287 HydrophobicContact CG1-CZ 4.35Å; V265-F287 HydrophobicContact CG2-CD1 4.01Å; V265-F287 HydrophobicContact CG2-CE1 4.15Å |
| 266 | S | 96.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.014 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 160.9 | 163.1 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | Y256 I277 F858 | Y256-S266 CarbonylContact O-C 3.45Å; Y256-S266 WeakPolarHBondContact O-CA 3.38Å; Y256-S266 WeakPolarHBondContact O-CB 3.36Å; S266-I277 PolarHBondContact N-O 3.29Å; S266-I277 VanDerWaalsContact N-O 3.09Å; S266-I277 PolarHBondContact O-N 3.24Å; S266-F858 WeakPolarHBondContact OG-CZ 3.42Å |
| 267 | I | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.2 | 171.4 | -55.9 | 168.6 | 0 | 0 | 0 | 108.2 | I255 Y256 F258 M275 L276 F287 A291 L294 | I255-I267 WeakPolarHBondContact CA-O 3.42Å; Y256-I267 HydrophobicContact CD2-CB 4.42Å; Y256-I267 PolarHBondContact N-O 2.94Å; Y256-I267 PolarHBondContact O-N 2.88Å; F258-I267 HydrophobicContact CE2-CD1 3.98Å; F258-I267 HydrophobicContact CE2-CG1 4.01Å; F258-I267 HydrophobicContact CZ-CD1 4.19Å; I267-M275 CarbonylContact C-O 3.49Å; I267-M275 WeakPolarHBondContact CA-O 3.3Å; I267-L276 HydrophobicContact CG1-CD1 3.82Å; I267-F287 HydrophobicContact CD1-CD2 4.09Å; I267-A291 HydrophobicContact CD1-CB 3.79Å; I267-L294 HydrophobicContact CD1-CD1 4.09Å; I267-L294 HydrophobicContact CG2-CD1 3.91Å |
| 268 | L | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 116.9 | 166.3 | 172.2 | 60.9 | 0 | 0 | 0 | 108.1 | L270 M275 I277 V463 F477 F479 | L268-L270 HydrophobicContact CD1-CD2 3.97Å; L268-L270 HydrophobicContact CD1-CG 4.3Å; L268-L270 HydrophobicContact CD2-CD1 4.49Å; L268-L270 HydrophobicContact CG-CD1 4.5Å; L268-L270 HydrophobicContact CG-CD2 4.43Å; L268-L270 HydrophobicContact CG-CG 4.24Å; L268-M275 HydrophobicContact CB-CB 4.33Å; L268-M275 PolarHBondContact N-O 3Å; L268-M275 PolarHBondContact O-N 3.4Å; L268-I277 HydrophobicContact CB-CD1 4.01Å; L268-V463 HydrophobicContact CD2-CG1 4.02Å; L268-F477 HydrophobicContact CD1-CD1 4.09Å; L268-F477 HydrophobicContact CD1-CD2 4.31Å; L268-F477 HydrophobicContact CD1-CE1 3.58Å; L268-F477 HydrophobicContact CD1-CE2 3.84Å; L268-F477 HydrophobicContact CD1-CG 4.43Å; L268-F477 HydrophobicContact CD1-CZ 3.44Å; L268-F477 VanDerWaalsContact CD1-CZ 3.44Å; L268-F477 HydrophobicContact CD2-CD2 4.1Å; L268-F477 HydrophobicContact CD2-CE2 4.21Å; L268-F477 HydrophobicContact CD2-CG 4.42Å; L268-F479 HydrophobicContact CB-CZ 4.49Å |
| 269 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V250 C254 Y256 N274 | V250-A269 HydrophobicContact CB-CB 4.33Å; V250-A269 HydrophobicContact CG1-CB 3.92Å; V250-A269 HydrophobicContact CG2-CB 3.93Å; C254-A269 PolarHBondContact N-O 2.96Å; C254-A269 PolarHBondContact O-N 2.9Å; Y256-A269 HydrophobicContact CD2-CB 4.37Å; Y256-A269 HydrophobicContact CE2-CB 3.99Å; A269-N274 WeakPolarHBondContact CB-OD1 3.32Å |
| 270 | L | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.8 | -178 | -55.7 | 172 | 0 | 0 | 0 | 108.8 | P253 L268 F272 Y273 L405 W465 | P253-L270 HydrophobicContact CB-CD2 3.7Å; P253-L270 HydrophobicContact CG-CD2 4.1Å; L268-L270 HydrophobicContact CD1-CD2 3.97Å; L268-L270 HydrophobicContact CD1-CG 4.3Å; L268-L270 HydrophobicContact CD2-CD1 4.49Å; L268-L270 HydrophobicContact CG-CD1 4.5Å; L268-L270 HydrophobicContact CG-CD2 4.43Å; L268-L270 HydrophobicContact CG-CG 4.24Å; L270-F272 PolarHBondContact O-N 2.75Å; L270-Y273 WeakPolarHBondContact CB-O 3.44Å; L270-Y273 HydrophobicContact CD1-CD1 4.45Å; L270-Y273 PolarHBondContact N-O 3.46Å; L270-Y273 PolarHBondContact O-N 3.31Å; L270-L405 HydrophobicContact CD1-CD1 3.69Å; L270-L405 HydrophobicContact CD1-CD2 3.98Å; L270-L405 HydrophobicContact CD1-CG 4.34Å; L270-W465 HydrophobicContact CD1-CD2 4.18Å; L270-W465 HydrophobicContact CD1-CE3 3.81Å; L270-W465 HydrophobicContact CD1-CZ3 4.36Å; L270-W465 HydrophobicContact CD2-CD2 4.46Å; L270-W465 HydrophobicContact CD2-CG 4.31Å |
| 271 | P | 86.4 | Confident | 91.7 | Very high | 15 Ų | 15 | 8 Ų | 8 | 10% | 0.097 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 113.2 | 169.9 | -28.1 | 36.5 | 0 | 0 | 0 | 111.1 | Y273 | P271-Y273 PolarHBondContact O-N 2.97Š|
| 272 | F | 85.3 | Confident | 91.6 | Very high | 99 Ų | 99 | 8.8 Ų | 8.8 | 43% | 0.434 | 5% | 0.047 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 12.7 | -176.8 | -38.6 | -78.2 | 0 | 0 | 0 | 117.3 | L270 R296 F397 K399 Q402 | L270-F272 PolarHBondContact O-N 2.75Å; F272-R296 PolarHBondContact O-NH2 3Å; F272-F397 HydrophobicContact CB-CZ 4.26Å; F272-K399 HydrophobicContact CD2-CD 3.88Å; F272-K399 HydrophobicContact CE2-CD 4.42Å; F272-K399 HydrophobicContact CG-CD 4.29Å; F272-K399 VanDerWaalsContact CG-NZ 3.25Å; F272-K399 VanDerWaalsContact CZ-NZ 3.31Å; F272-Q402 HydrophobicContact CD2-CG 4.32Å; F272-Q402 HydrophobicContact CE2-CG 4.46Å |
| 273 | Y | 91.3 | Very high | 91 | Very high | 6 Ų | 6 | 8.9 Ų | 8.9 | 2% | 0.024 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 116.4 | 177.5 | -167.3 | -91.7 | 0 | 0 | 0 | 113.5 | L270 P271 M275 D298 S299 F397 L405 | L270-Y273 WeakPolarHBondContact CB-O 3.44Å; L270-Y273 HydrophobicContact CD1-CD1 4.45Å; L270-Y273 PolarHBondContact N-O 3.46Å; L270-Y273 PolarHBondContact O-N 3.31Å; P271-Y273 PolarHBondContact O-N 2.97Å; Y273-M275 HydrophobicContact CE1-CB 4.04Å; Y273-D298 WeakPolarHBondContact CA-OD2 3.44Å; Y273-D298 HydrophobicContact CD1-CB 4.43Å; Y273-D298 HydrophobicContact CD2-CB 3.41Å; Y273-D298 VanDerWaalsContact CD2-CB 3.41Å; Y273-D298 HydrophobicContact CE1-CB 4.32Å; Y273-D298 HydrophobicContact CE2-CB 3.3Å; Y273-D298 HydrophobicContact CG-CB 4.02Å; Y273-S299 VanDerWaalsContact OH-CB 3.28Å; Y273-S299 WeakPolarHBondContact OH-CB 3.47Å; Y273-S299 PolarHBondContact OH-OG 2.88Å; Y273-F397 HydrophobicContact CD2-CB 3.62Å; Y273-F397 HydrophobicContact CD2-CD1 4.48Å; Y273-F397 AromaticContact CD2-CD2 3.37Å; Y273-F397 HydrophobicContact CD2-CD2 3.37Å; Y273-F397 HydrophobicContact CD2-CE2 4.08Å; Y273-F397 AromaticContact CD2-CG 3.59Å; Y273-F397 HydrophobicContact CD2-CG 3.59Å; Y273-F397 HydrophobicContact CE2-CB 3.69Å; Y273-F397 AromaticContact CE2-CD2 4Å; Y273-F397 HydrophobicContact CE2-CD2 4Å; Y273-F397 HydrophobicContact CE2-CG 4.15Å; Y273-F397 HydrophobicContact CG-CB 4.08Å; Y273-F397 HydrophobicContact CG-CD2 4.13Å; Y273-F397 HydrophobicContact CG-CG 4.02Å; Y273-L405 HydrophobicContact CD1-CD2 3.57Å; Y273-L405 HydrophobicContact CE1-CD2 3.34Å |
| 274 | N | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.7 | 178.1 | -56.9 | -44.9 | 0 | 0 | 0 | 111.8 | A269 L294 D295 R296 L297 D298 S299 | A269-N274 WeakPolarHBondContact CB-OD1 3.32Å; N274-L294 HydrophobicContact CB-CD1 4.33Å; N274-D295 PolarHBondContact ND2-OD1 2.55Å; N274-R296 WeakPolarHBondContact CB-O 3.4Å; N274-R296 PolarHBondContact ND2-O 2.94Å; N274-L297 HydrophobicContact CB-CD1 4.2Å; N274-D298 PolarHBondContact N-OD2 3.15Å; N274-D298 VanDerWaalsContact N-OD2 3.14Å; N274-D298 WeakPolarHBondContact O-CA 3.01Å; N274-D298 WeakPolarHBondContact O-CB 3.22Å; N274-D298 PolarHBondContact O-N 2.88Å; N274-S299 PolarHBondContact O-N 3.22Å |
| 275 | M | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.6 | -174 | 176 | 170.1 | -170.3 | 0 | 0 | 110.5 | I267 L268 Y273 I277 S299 L301 L332 L396 L405 L407 | I267-M275 CarbonylContact C-O 3.49Å; I267-M275 WeakPolarHBondContact CA-O 3.3Å; L268-M275 HydrophobicContact CB-CB 4.33Å; L268-M275 PolarHBondContact N-O 3Å; L268-M275 PolarHBondContact O-N 3.4Å; Y273-M275 HydrophobicContact CE1-CB 4.04Å; M275-I277 HydrophobicContact CG-CD1 4.31Å; M275-I277 WeakPolarHBondContact O-CD1 3.44Å; M275-S299 WeakPolarHBondContact CA-O 3.4Å; M275-S299 WeakPolarHBondContact CB-OG 3.33Å; M275-S299 VanDerWaalsContact CG-OG 3.25Å; M275-S299 WeakPolarHBondContact CG-OG 3.45Å; M275-L301 HydrophobicContact CE-CB 3.51Å; M275-L301 HydrophobicContact CE-CD2 3.94Å; M275-L301 HydrophobicContact CE-CG 4.32Å; M275-L332 HydrophobicContact CE-CD1 4.08Å; M275-L396 HydrophobicContact CE-CD1 3.9Å; M275-L396 HydrophobicContact SD-CD1 3.91Å; M275-L405 HydrophobicContact SD-CD2 4.45Å; M275-L407 HydrophobicContact CE-CD1 4.15Å |
| 276 | L | 95.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.2 | 172 | 177 | 65.4 | 0 | 0 | 0 | 109.3 | V265 I267 D278 F287 L297 S299 V300 L301 I316 | V265-L276 HydrophobicContact CG1-CD1 3.7Å; I267-L276 HydrophobicContact CG1-CD1 3.82Å; L276-D278 WeakPolarHBondContact CD1-O 3.36Å; L276-D278 WeakPolarHBondContact CG-O 3.45Å; L276-F287 HydrophobicContact CD1-CD2 4.12Å; L276-F287 HydrophobicContact CD1-CE2 3.52Å; L276-F287 HydrophobicContact CD1-CZ 3.76Å; L276-F287 HydrophobicContact CD2-CE2 4.1Å; L276-F287 HydrophobicContact CD2-CZ 3.89Å; L276-F287 HydrophobicContact CG-CE2 4.49Å; L276-L297 HydrophobicContact CB-CD1 3.99Å; L276-L297 HydrophobicContact CB-CD2 3.89Å; L276-L297 HydrophobicContact CB-CG 4.46Å; L276-L297 HydrophobicContact CD2-CD2 4.33Å; L276-S299 PolarHBondContact N-O 3.39Å; L276-V300 HydrophobicContact CB-CG1 4.35Å; L276-V300 HydrophobicContact CB-CG2 4.37Å; L276-V300 HydrophobicContact CD2-CG1 4.14Å; L276-V300 HydrophobicContact CD2-CG2 4.44Å; L276-V300 HydrophobicContact CG-CG1 4.32Å; L276-V300 CarbonylContact O-C 3.6Å; L276-V300 WeakPolarHBondContact O-CA 3.48Å; L276-L301 PolarHBondContact O-N 3.12Å; L276-I316 HydrophobicContact CD2-CG2 4.12Å |
| 277 | I | 95.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113 | 173.3 | -56.2 | 91.9 | 0 | 0 | 0 | 107.5 | V265 S266 L268 M275 L301 T303 F479 | V265-I277 WeakPolarHBondContact CA-O 3.19Å; S266-I277 PolarHBondContact N-O 3.29Å; S266-I277 VanDerWaalsContact N-O 3.09Å; S266-I277 PolarHBondContact O-N 3.24Å; L268-I277 HydrophobicContact CB-CD1 4.01Å; M275-I277 HydrophobicContact CG-CD1 4.31Å; M275-I277 WeakPolarHBondContact O-CD1 3.44Å; I277-L301 WeakPolarHBondContact CA-O 3.33Å; I277-L301 HydrophobicContact CG2-CD2 4.42Å; I277-T303 HydrophobicContact CG2-CG2 3.87Å; I277-F479 HydrophobicContact CB-CD1 4.36Å; I277-F479 HydrophobicContact CB-CE1 4.27Å; I277-F479 HydrophobicContact CD1-CD1 4.49Å; I277-F479 HydrophobicContact CD1-CE1 3.68Å; I277-F479 HydrophobicContact CD1-CE2 4.23Å; I277-F479 HydrophobicContact CD1-CZ 3.51Å; I277-F479 HydrophobicContact CG1-CD1 4.06Å; I277-F479 HydrophobicContact CG1-CE1 3.73Å; I277-F479 HydrophobicContact CG1-CE2 4.2Å; I277-F479 HydrophobicContact CG1-CG 4.44Å; I277-F479 HydrophobicContact CG1-CZ 3.81Å; I277-F479 HydrophobicContact CG2-CD1 3.92Å; I277-F479 HydrophobicContact CG2-CE1 4.34Å; I277-F479 HydrophobicContact CG2-CG 4.33Å |
| 278 | D | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | 57.3 | 173.5 | -174.6 | -67.6 | -49.3 | 0 | 0 | 0 | 114.8 | Q264 L276 L301 I302 T303 H304 N309 | Q264-D278 WeakPolarHBondContact O-CB 3.38Å; L276-D278 WeakPolarHBondContact CD1-O 3.36Å; L276-D278 WeakPolarHBondContact CG-O 3.45Å; D278-L301 PolarHBondContact N-O 2.98Å; D278-I302 VanDerWaalsContact OD1-CA 3.3Å; D278-I302 WeakPolarHBondContact OD1-CA 3.46Å; D278-T303 PolarHBondContact OD1-N 3.15Å; D278-T303 PolarHBondContact OD1-OG1 2.88Å; D278-T303 WeakPolarHBondContact OD2-CB 3.42Å; D278-T303 VanDerWaalsContact OD2-CG2 3.23Å; D278-T303 WeakPolarHBondContact OD2-CG2 3.35Å; D278-T303 PolarHBondContact OD2-OG1 3.15Å; D278-H304 IonicContact OD1-CE1 3.18Å; D278-H304 IonicContact OD1-ND1 2.75Å; D278-H304 IonicContact OD2-CE1 2.69Å; D278-H304 IonicContact OD2-ND1 3.96Å; D278-N309 WeakPolarHBondContact CB-OD1 3.39Å; D278-N309 PolarHBondContact OD1-ND2 2.88Å | ||
| 279 | G | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -123.3 | -9.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N309 G312 | G279-N309 PolarHBondContact N-OD1 3.37Å; G279-G312 WeakPolarHBondContact O-CA 3.3Å | ||
| 280 | G | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | 81.1 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V265 D308 N309 G312 | V265-G280 VanDerWaalsContact CG2-N 3.27Å; G280-D308 CarbonylContact C-O 3.53Å; G280-N309 PolarHBondContact N-OD1 3.3Å; G280-N309 CarbonylContact O-C 3.5Å; G280-N309 VanDerWaalsContact O-CA 3.3Å; G280-N309 WeakPolarHBondContact O-CA 3.14Å; G280-G312 PolarHBondContact O-N 2.98Å | ||
| 281 | C | 87.1 | Confident | 87.8 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -82.8 | -25.7 | -174.1 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | V121 E260 D308 | V121-C281 VanDerWaalsContact CG2-SG 3.6Å; E260-C281 VanDerWaalsContact O-CB 3.32Å; E260-C281 WeakPolarHBondContact O-CB 3.35Å; E260-C281 PolarHBondContact O-N 3.49Å; C281-D308 PolarHBondContact N-O 2.91Å |
| 282 | S | 81.6 | Confident | 87.7 | Confident | 17 Ų | 17 | 21 Ų | 21 | 12% | 0.119 | 11% | 0.106 | C | C | . | . | trans | -74.5 | 133.3 | -171.9 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | P118 E260 K284 G312 | P118-S282 WeakPolarHBondContact O-CA 3.22Å; E260-S282 VanDerWaalsContact OE2-CB 3.28Å; E260-S282 WeakPolarHBondContact OE2-CB 3.46Å; S282-K284 PolarHBondContact O-N 3.01Å; S282-K284 PolarHBondContact OG-N 2.94Å; S282-K284 PolarHBondContact OG-O 3.23Å; S282-G312 VanDerWaalsContact O-CA 3.26Å; S282-G312 WeakPolarHBondContact O-CA 3.49Å | ||
| 283 | H | 73.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 17.8 Ų | 17.8 | 13% | 0.125 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -68.6 | -16.4 | 165.5 | -75.5 | -64.9 | 0 | 0 | 0 | 113.2 | E12 L234 T315 | E12-H283 IonicContact OE2-CD2 3.86Å; L234-H283 HydrophobicContact CD2-CB 4.25Å; H283-T315 WeakPolarHBondContact O-CG2 3.38Å |
| 284 | K | 77.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 18.1 Ų | 18.1 | 59% | 0.591 | 9% | 0.093 | S | C | * | . | S | Bend | trans | -124.2 | 75.8 | 171.4 | -172.2 | 174.3 | -179.6 | 174.5 | 0 | 107.8 | S282 C286 | S282-K284 PolarHBondContact O-N 3.01Å; S282-K284 PolarHBondContact OG-N 2.94Å; S282-K284 PolarHBondContact OG-O 3.23Å; K284-C286 PolarHBondContact O-N 2.7Å; K284-C286 VanDerWaalsContact O-N 3.17Å |
| 285 | P | 84.3 | Confident | 86.7 | Confident | 6 Ų | 6 | 21.6 Ų | 21.6 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | trans | -58.1 | 121.3 | -174.4 | 19.9 | -30.5 | 0 | 0 | 0 | 110.4 | E260 F287 W288 I316 | E260-P285 VanDerWaalsContact OE1-C 3.3Å; E260-P285 WeakPolarHBondContact OE1-CA 3.24Å; P285-F287 HydrophobicContact CB-CD1 3.54Å; P285-F287 HydrophobicContact CB-CE1 3.58Å; P285-F287 HydrophobicContact CG-CE1 4.27Å; P285-F287 PolarHBondContact O-N 2.86Å; P285-W288 HydrophobicContact CG-CB 4.37Å; P285-W288 WeakPolarHBondContact O-CB 3.35Å; P285-W288 PolarHBondContact O-N 3.09Å; P285-I316 HydrophobicContact CG-CD1 4.35Å; P285-I316 HydrophobicContact CG-CG1 3.97Å | ||
| 286 | C | 87 | Confident | 86 | Confident | 32 Ų | 32 | 25 Ų | 25 | 22% | 0.216 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.9 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 111 | E260 K284 W288 S289 P968 | E260-C286 WeakPolarHBondContact OE1-CA 3.03Å; E260-C286 PolarHBondContact OE1-N 2.93Å; E260-C286 PolarHBondContact OE1-SG 2.63Å; K284-C286 PolarHBondContact O-N 2.7Å; K284-C286 VanDerWaalsContact O-N 3.17Å; C286-W288 PolarHBondContact O-N 3.22Å; C286-W288 VanDerWaalsContact O-N 3.15Å; C286-S289 WeakPolarHBondContact O-CB 3.45Å; C286-S289 PolarHBondContact O-N 2.86Å; C286-S289 VanDerWaalsContact O-N 3.14Å; C286-S289 PolarHBondContact O-OG 3.37Å; C286-P968 HydrophobicContact CB-CB 4.47Å; C286-P968 HydrophobicContact CB-CG 4.44Å |
| 287 | F | 89.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26 | 179.2 | 90.3 | -98.9 | 0 | 0 | 0 | 113.4 | F258 E260 V265 I267 L276 P285 S289 V290 A291 I316 | F258-F287 HydrophobicContact CB-CB 3.8Å; F258-F287 HydrophobicContact CD1-CB 3.43Å; F258-F287 VanDerWaalsContact CD1-CB 3.43Å; F258-F287 HydrophobicContact CD2-CB 3.47Å; F258-F287 VanDerWaalsContact CD2-CB 3.47Å; F258-F287 HydrophobicContact CD2-CG 4.42Å; F258-F287 HydrophobicContact CE1-CB 3.76Å; F258-F287 HydrophobicContact CE2-CB 3.8Å; F258-F287 HydrophobicContact CG-CB 3.26Å; F258-F287 HydrophobicContact CZ-CB 3.92Å; E260-F287 HydrophobicContact CG-CD1 4.37Å; E260-F287 WeakPolarHBondContact OE1-CD1 3.07Å; E260-F287 PolarHBondContact OE1-N 3Å; V265-F287 HydrophobicContact CB-CD1 4.18Å; V265-F287 HydrophobicContact CG1-CB 4.23Å; V265-F287 HydrophobicContact CG1-CD1 3.62Å; V265-F287 HydrophobicContact CG1-CD2 4.15Å; V265-F287 HydrophobicContact CG1-CE1 3.92Å; V265-F287 HydrophobicContact CG1-CE2 4.47Å; V265-F287 HydrophobicContact CG1-CG 3.74Å; V265-F287 HydrophobicContact CG1-CZ 4.35Å; V265-F287 HydrophobicContact CG2-CD1 4.01Å; V265-F287 HydrophobicContact CG2-CE1 4.15Å; I267-F287 HydrophobicContact CD1-CD2 4.09Å; L276-F287 HydrophobicContact CD1-CD2 4.12Å; L276-F287 HydrophobicContact CD1-CE2 3.52Å; L276-F287 HydrophobicContact CD1-CZ 3.76Å; L276-F287 HydrophobicContact CD2-CE2 4.1Å; L276-F287 HydrophobicContact CD2-CZ 3.89Å; L276-F287 HydrophobicContact CG-CE2 4.49Å; P285-F287 HydrophobicContact CB-CD1 3.54Å; P285-F287 HydrophobicContact CB-CE1 3.58Å; P285-F287 HydrophobicContact CG-CE1 4.27Å; P285-F287 PolarHBondContact O-N 2.86Å; F287-S289 PolarHBondContact O-N 2.87Å; F287-S289 VanDerWaalsContact O-N 3.15Å; F287-V290 PolarHBondContact O-N 2.94Å; F287-A291 HydrophobicContact CD2-CB 3.87Å; F287-A291 HydrophobicContact CE2-CB 3.86Å; F287-A291 PolarHBondContact O-N 3Å; F287-I316 HydrophobicContact CE1-CD1 3.45Å; F287-I316 VanDerWaalsContact CE1-CD1 3.45Å; F287-I316 HydrophobicContact CE1-CG1 3.99Å; F287-I316 HydrophobicContact CZ-CD1 3.43Å; F287-I316 VanDerWaalsContact CZ-CD1 3.43Å; F287-I316 HydrophobicContact CZ-CG1 3.69Å; F287-I316 HydrophobicContact CZ-CG2 4.21Å |
| 288 | W | 87.3 | Confident | 85.2 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.1 | -34.6 | 178.2 | 178.6 | -104.9 | 0 | 0 | 0 | 111.5 | L238 M240 P285 C286 V290 A291 N292 T319 V320 | L238-W288 HydrophobicContact CB-CD2 4.23Å; L238-W288 HydrophobicContact CB-CG 4.38Å; L238-W288 HydrophobicContact CB-CZ2 4.25Å; L238-W288 HydrophobicContact CD1-CB 4.42Å; L238-W288 HydrophobicContact CD1-CD2 3.83Å; L238-W288 HydrophobicContact CD1-CE3 4.16Å; L238-W288 HydrophobicContact CD1-CG 3.91Å; L238-W288 HydrophobicContact CD2-CG 4.21Å; L238-W288 HydrophobicContact CG-CG 4.41Å; M240-W288 HydrophobicContact CG-CZ2 4.31Å; P285-W288 HydrophobicContact CG-CB 4.37Å; P285-W288 WeakPolarHBondContact O-CB 3.35Å; P285-W288 PolarHBondContact O-N 3.09Å; C286-W288 PolarHBondContact O-N 3.22Å; C286-W288 VanDerWaalsContact O-N 3.15Å; W288-V290 PolarHBondContact O-N 3.15Å; W288-V290 VanDerWaalsContact O-N 3.15Å; W288-A291 HydrophobicContact CE3-CB 4.22Å; W288-A291 PolarHBondContact O-N 2.63Å; W288-N292 HydrophobicContact CD2-CB 4.3Å; W288-N292 HydrophobicContact CZ2-CB 3.96Å; W288-N292 PolarHBondContact NE1-ND2 2.65Å; W288-N292 WeakPolarHBondContact O-CB 3.38Å; W288-N292 PolarHBondContact O-N 2.97Å; W288-T319 HydrophobicContact CH2-CG2 4.03Å; W288-T319 HydrophobicContact CZ2-CG2 3.97Å; W288-V320 HydrophobicContact CH2-CG2 3.95Å; W288-V320 HydrophobicContact CZ3-CG2 3.52Å |
| 289 | S | 83.6 | Confident | 85.1 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -20.4 | 178.4 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | C286 F287 Y293 Y967 | C286-S289 WeakPolarHBondContact O-CB 3.45Å; C286-S289 PolarHBondContact O-N 2.86Å; C286-S289 VanDerWaalsContact O-N 3.14Å; C286-S289 PolarHBondContact O-OG 3.37Å; F287-S289 PolarHBondContact O-N 2.87Å; F287-S289 VanDerWaalsContact O-N 3.15Å; S289-Y293 WeakPolarHBondContact O-CD2 3.28Å; S289-Y293 VanDerWaalsContact O-CE2 3.29Å; S289-Y293 WeakPolarHBondContact O-CE2 3.18Å; S289-Y967 WeakPolarHBondContact O-CE2 3.25Å; S289-Y967 WeakPolarHBondContact OG-CB 3.4Å; S289-Y967 VanDerWaalsContact OG-CD1 3.22Å; S289-Y967 WeakPolarHBondContact OG-CD1 3.4Å; S289-Y967 VanDerWaalsContact OG-CG 3.31Å |
| 290 | V | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -101.7 | -39.8 | 171.3 | 179 | 0 | 0 | 0 | 0 | 111.4 | Y256 F258 F287 W288 N292 Y293 I950 I952 Y967 | Y256-V290 HydrophobicContact CD1-CG1 4.33Å; Y256-V290 HydrophobicContact CE1-CG1 4.43Å; F258-V290 HydrophobicContact CE1-CB 3.98Å; F258-V290 HydrophobicContact CE1-CG2 3.98Å; F258-V290 HydrophobicContact CZ-CB 4.04Å; F258-V290 HydrophobicContact CZ-CG1 4.25Å; F258-V290 HydrophobicContact CZ-CG2 4.49Å; F287-V290 PolarHBondContact O-N 2.94Å; W288-V290 PolarHBondContact O-N 3.15Å; W288-V290 VanDerWaalsContact O-N 3.15Å; V290-N292 VanDerWaalsContact C-N 3.27Å; V290-N292 PolarHBondContact O-N 2.89Å; V290-Y293 WeakPolarHBondContact O-CB 3.43Å; V290-Y293 PolarHBondContact O-N 3.05Å; V290-I950 HydrophobicContact CG2-CB 4.34Å; V290-I950 HydrophobicContact CG2-CD1 4.03Å; V290-I950 HydrophobicContact CG2-CG2 4.29Å; V290-I952 HydrophobicContact CG2-CD1 4.47Å; V290-Y967 HydrophobicContact CG2-CD2 4.06Å; V290-Y967 HydrophobicContact CG2-CG 4.22Å |
| 291 | A | 87.3 | Confident | 85.5 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.2 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | I267 F287 W288 Y293 L294 | I267-A291 HydrophobicContact CD1-CB 3.79Å; F287-A291 HydrophobicContact CD2-CB 3.87Å; F287-A291 HydrophobicContact CE2-CB 3.86Å; F287-A291 PolarHBondContact O-N 3Å; W288-A291 HydrophobicContact CE3-CB 4.22Å; W288-A291 PolarHBondContact O-N 2.63Å; A291-Y293 PolarHBondContact O-N 3.4Å; A291-Y293 VanDerWaalsContact O-N 3.15Å; A291-L294 WeakPolarHBondContact O-CB 3.43Å; A291-L294 PolarHBondContact O-N 3.3Å; A291-L294 VanDerWaalsContact O-N 3.12Å |
| 292 | N | 84.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.5 | 177.1 | -164 | 14.3 | 0 | 0 | 0 | 113.3 | V239 M240 R241 W288 V290 | V239-N292 PolarHBondContact O-ND2 3.06Å; M240-N292 WeakPolarHBondContact CA-OD1 3.37Å; R241-N292 PolarHBondContact N-OD1 3.24Å; R241-N292 PolarHBondContact NE-O 2.87Å; R241-N292 PolarHBondContact NH2-O 2.88Å; W288-N292 HydrophobicContact CD2-CB 4.3Å; W288-N292 HydrophobicContact CZ2-CB 3.96Å; W288-N292 PolarHBondContact NE1-ND2 2.65Å; W288-N292 WeakPolarHBondContact O-CB 3.38Å; W288-N292 PolarHBondContact O-N 2.97Å; V290-N292 VanDerWaalsContact C-N 3.27Å; V290-N292 PolarHBondContact O-N 2.89Å |
| 293 | Y | 84.6 | Confident | 86.4 | Confident | 32 Ų | 32 | 27 Ų | 27 | 13% | 0.125 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.9 | 174.1 | -78.2 | -100.6 | 0 | 0 | 0 | 114.4 | R241 T247 L248 S289 V290 A291 I952 L965 Y967 | R241-Y293 VanDerWaalsContact NH1-CE1 3.32Å; T247-Y293 CarbonylContact C-O 3.56Å; T247-Y293 WeakPolarHBondContact CA-O 3.26Å; L248-Y293 PolarHBondContact N-O 2.9Å; S289-Y293 WeakPolarHBondContact O-CD2 3.28Å; S289-Y293 VanDerWaalsContact O-CE2 3.29Å; S289-Y293 WeakPolarHBondContact O-CE2 3.18Å; V290-Y293 WeakPolarHBondContact O-CB 3.43Å; V290-Y293 PolarHBondContact O-N 3.05Å; A291-Y293 PolarHBondContact O-N 3.4Å; A291-Y293 VanDerWaalsContact O-N 3.15Å; Y293-I952 HydrophobicContact CD1-CD1 3.96Å; Y293-I952 HydrophobicContact CD1-CG2 3.76Å; Y293-I952 HydrophobicContact CD2-CD1 3.63Å; Y293-I952 HydrophobicContact CE1-CD1 4.42Å; Y293-I952 HydrophobicContact CE1-CG2 3.8Å; Y293-I952 HydrophobicContact CE2-CD1 4.12Å; Y293-I952 HydrophobicContact CG-CD1 3.53Å; Y293-I952 HydrophobicContact CG-CG2 4.41Å; Y293-L965 WeakPolarHBondContact OH-CD1 3.43Å; Y293-Y967 HydrophobicContact CD2-CE2 4.46Å; Y293-Y967 AromaticContact CE2-CE2 3.81Å; Y293-Y967 HydrophobicContact CE2-CE2 3.81Å; Y293-Y967 PolarHBondContact OH-OH 3.44Å |
| 294 | L | 84.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 155.3 | 176.8 | -60.5 | 171 | 0 | 0 | 0 | 111 | L248 V250 I267 N274 A291 R296 | L248-L294 HydrophobicContact CB-CD2 4.49Å; V250-L294 HydrophobicContact CG2-CD2 4.39Å; I267-L294 HydrophobicContact CD1-CD1 4.09Å; I267-L294 HydrophobicContact CG2-CD1 3.91Å; N274-L294 HydrophobicContact CB-CD1 4.33Å; A291-L294 WeakPolarHBondContact O-CB 3.43Å; A291-L294 PolarHBondContact O-N 3.3Å; A291-L294 VanDerWaalsContact O-N 3.12Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.22Å |
| 295 | D | 77.8 | Confident | 87.9 | Confident | 74 Ų | 74 | 19.8 Ų | 19.8 | 40% | 0.396 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -66.6 | -32.7 | 177.4 | 66.3 | -33.7 | 0 | 0 | 0 | 112.8 | T247 N274 | T247-D295 HydrophobicContact CG2-CB 4.44Å; N274-D295 PolarHBondContact ND2-OD1 2.55Å |
| 296 | R | 80.6 | Confident | 88.2 | Confident | 71 Ų | 71 | 19.8 Ų | 19.8 | 27% | 0.268 | 10% | 0.103 | S | C | . | . | trans | -164.3 | 176.5 | 170.9 | 62.6 | -175.6 | -171.1 | 170.5 | 1.6 | 111.3 | F272 N274 L294 D298 | F272-R296 PolarHBondContact O-NH2 3Å; N274-R296 WeakPolarHBondContact CB-O 3.4Å; N274-R296 PolarHBondContact ND2-O 2.94Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.22Å; R296-D298 IonicContact CZ-OD1 2.85Å; R296-D298 IonicContact CZ-OD2 2.98Å; R296-D298 VanDerWaalsContact NE-CG 3.34Å; R296-D298 IonicContact NE-OD1 3.85Å; R296-D298 PolarHBondContact NE-OD1 3.41Å; R296-D298 IonicContact NE-OD2 3.82Å; R296-D298 PolarHBondContact NE-OD2 2.92Å; R296-D298 IonicContact NH1-OD1 2.81Å; R296-D298 IonicContact NH2-OD1 3.78Å; R296-D298 PolarHBondContact NH2-OD1 2.97Å; R296-D298 IonicContact NH2-OD2 3.74Å; R296-D298 PolarHBondContact NH2-OD2 2.98Å | ||
| 297 | L | 85.9 | Confident | 88.2 | Confident | 38 Ų | 38 | 18.4 Ų | 18.4 | 20% | 0.199 | 9% | 0.093 | C | C | . | . | trans | -118.3 | 128.4 | 161.3 | -163 | 68.8 | 0 | 0 | 0 | 108.6 | N274 L276 V300 V320 L329 | N274-L297 HydrophobicContact CB-CD1 4.2Å; L276-L297 HydrophobicContact CB-CD1 3.99Å; L276-L297 HydrophobicContact CB-CD2 3.89Å; L276-L297 HydrophobicContact CB-CG 4.46Å; L276-L297 HydrophobicContact CD2-CD2 4.33Å; L297-V300 HydrophobicContact CD2-CG2 3.82Å; L297-V320 HydrophobicContact CB-CG1 4.5Å; L297-V320 HydrophobicContact CD2-CG1 4.1Å; L297-L329 HydrophobicContact CD2-CD2 4.49Å | ||
| 298 | D | 88.9 | Confident | 88.2 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 14% | 0.139 | 10% | 0.1 | C | C | . | . | trans | -99.7 | -29.5 | -176.6 | -74 | -99.6 | 0 | 0 | 0 | 113.3 | Y273 N274 R296 L329 L330 | Y273-D298 WeakPolarHBondContact CA-OD2 3.44Å; Y273-D298 HydrophobicContact CD1-CB 4.43Å; Y273-D298 HydrophobicContact CD2-CB 3.41Å; Y273-D298 VanDerWaalsContact CD2-CB 3.41Å; Y273-D298 HydrophobicContact CE1-CB 4.32Å; Y273-D298 HydrophobicContact CE2-CB 3.3Å; Y273-D298 HydrophobicContact CG-CB 4.02Å; N274-D298 PolarHBondContact N-OD2 3.15Å; N274-D298 VanDerWaalsContact N-OD2 3.14Å; N274-D298 WeakPolarHBondContact O-CA 3.01Å; N274-D298 WeakPolarHBondContact O-CB 3.22Å; N274-D298 PolarHBondContact O-N 2.88Å; R296-D298 IonicContact CZ-OD1 2.85Å; R296-D298 IonicContact CZ-OD2 2.98Å; R296-D298 VanDerWaalsContact NE-CG 3.34Å; R296-D298 IonicContact NE-OD1 3.85Å; R296-D298 PolarHBondContact NE-OD1 3.41Å; R296-D298 IonicContact NE-OD2 3.82Å; R296-D298 PolarHBondContact NE-OD2 2.92Å; R296-D298 IonicContact NH1-OD1 2.81Å; R296-D298 IonicContact NH2-OD1 3.78Å; R296-D298 PolarHBondContact NH2-OD1 2.97Å; R296-D298 IonicContact NH2-OD2 3.74Å; R296-D298 PolarHBondContact NH2-OD2 2.98Å; D298-L329 VanDerWaalsContact O-CD1 3.25Å; D298-L329 WeakPolarHBondContact O-CD1 3.5Å; D298-L330 PolarHBondContact O-N 3.08Å | ||
| 299 | S | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 161 | 172.6 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | Y273 N274 M275 L276 L329 L330 | Y273-S299 VanDerWaalsContact OH-CB 3.28Å; Y273-S299 WeakPolarHBondContact OH-CB 3.47Å; Y273-S299 PolarHBondContact OH-OG 2.88Å; N274-S299 PolarHBondContact O-N 3.22Å; M275-S299 WeakPolarHBondContact CA-O 3.4Å; M275-S299 WeakPolarHBondContact CB-OG 3.33Å; M275-S299 VanDerWaalsContact CG-OG 3.25Å; M275-S299 WeakPolarHBondContact CG-OG 3.45Å; L276-S299 PolarHBondContact N-O 3.39Å; S299-L329 VanDerWaalsContact CA-CD1 3.45Å; S299-L330 CarbonylContact C-O 3.54Å; S299-L330 WeakPolarHBondContact CA-O 3.43Å; S299-L330 VanDerWaalsContact CB-O 3.31Å; S299-L330 WeakPolarHBondContact CB-O 3.46Å |
| 300 | V | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127 | 169 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | L276 L297 I302 L317 L329 L330 C331 L332 | L276-V300 HydrophobicContact CB-CG1 4.35Å; L276-V300 HydrophobicContact CB-CG2 4.37Å; L276-V300 HydrophobicContact CD2-CG1 4.14Å; L276-V300 HydrophobicContact CD2-CG2 4.44Å; L276-V300 HydrophobicContact CG-CG1 4.32Å; L276-V300 CarbonylContact O-C 3.6Å; L276-V300 WeakPolarHBondContact O-CA 3.48Å; L297-V300 HydrophobicContact CD2-CG2 3.82Å; V300-I302 HydrophobicContact CG1-CD1 4.37Å; V300-I302 HydrophobicContact CG1-CG1 4.17Å; V300-L317 HydrophobicContact CG1-CD2 4.43Å; V300-L317 HydrophobicContact CG2-CD2 4.23Å; V300-L329 HydrophobicContact CG2-CD1 4.5Å; V300-L329 HydrophobicContact CG2-CD2 4.38Å; V300-L330 PolarHBondContact N-O 2.94Å; V300-C331 CarbonylContact O-C 3.51Å; V300-C331 WeakPolarHBondContact O-CA 3.19Å; V300-L332 PolarHBondContact O-N 3.43Å |
| 301 | L | 95.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.5 | 170.2 | 171.4 | 64.4 | 0 | 0 | 0 | 109.9 | M275 L276 I277 D278 T303 L332 L407 | M275-L301 HydrophobicContact CE-CB 3.51Å; M275-L301 HydrophobicContact CE-CD2 3.94Å; M275-L301 HydrophobicContact CE-CG 4.32Å; L276-L301 PolarHBondContact O-N 3.12Å; I277-L301 WeakPolarHBondContact CA-O 3.33Å; I277-L301 HydrophobicContact CG2-CD2 4.42Å; D278-L301 PolarHBondContact N-O 2.98Å; L301-T303 HydrophobicContact CD2-CG2 4.28Å; L301-T303 HydrophobicContact CG-CG2 4.15Å; L301-L332 HydrophobicContact CB-CB 4.45Å; L301-L332 HydrophobicContact CD1-CB 3.81Å; L301-L332 HydrophobicContact CD1-CD1 4.41Å; L301-L407 HydrophobicContact CD1-CD1 4.38Å; L301-L407 HydrophobicContact CD2-CD1 4.04Å |
| 302 | I | 94.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.1 | 174.4 | -69.9 | 161.2 | 0 | 0 | 0 | 107.9 | D278 V300 W305 L313 L317 L332 L333 T334 | D278-I302 VanDerWaalsContact OD1-CA 3.3Å; D278-I302 WeakPolarHBondContact OD1-CA 3.46Å; V300-I302 HydrophobicContact CG1-CD1 4.37Å; V300-I302 HydrophobicContact CG1-CG1 4.17Å; I302-W305 HydrophobicContact CD1-CH2 4.19Å; I302-W305 HydrophobicContact CD1-CZ3 4.5Å; I302-W305 HydrophobicContact CG2-CD2 4.5Å; I302-W305 HydrophobicContact CG2-CE3 4.15Å; I302-W305 HydrophobicContact CG2-CH2 3.94Å; I302-W305 HydrophobicContact CG2-CZ2 4.33Å; I302-W305 HydrophobicContact CG2-CZ3 3.86Å; I302-L313 HydrophobicContact CD1-CD1 3.6Å; I302-L313 HydrophobicContact CD1-CD2 3.84Å; I302-L313 HydrophobicContact CD1-CG 4.34Å; I302-L313 HydrophobicContact CG1-CD1 3.78Å; I302-L313 HydrophobicContact CG1-CD2 4Å; I302-L313 HydrophobicContact CG2-CD1 4.12Å; I302-L317 HydrophobicContact CD1-CD1 4.32Å; I302-L332 PolarHBondContact N-O 3.15Å; I302-L333 HydrophobicContact CB-CD2 3.82Å; I302-L333 HydrophobicContact CD1-CD2 3.41Å; I302-L333 VanDerWaalsContact CD1-CD2 3.41Å; I302-L333 HydrophobicContact CG1-CD2 4.1Å; I302-L333 HydrophobicContact CG2-CD2 4.4Å; I302-T334 HydrophobicContact CG2-CG2 4.2Å; I302-T334 WeakPolarHBondContact O-CB 3.45Å; I302-T334 PolarHBondContact O-N 3.26Å; I302-T334 VanDerWaalsContact O-N 3.1Å |
| 303 | T | 95.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.012 | 7% | 0.071 | C | C | . | . | trans | -78.7 | -28.8 | -171 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | I277 D278 L301 T334 S458 V459 | I277-T303 HydrophobicContact CG2-CG2 3.87Å; D278-T303 PolarHBondContact OD1-N 3.15Å; D278-T303 PolarHBondContact OD1-OG1 2.88Å; D278-T303 WeakPolarHBondContact OD2-CB 3.42Å; D278-T303 VanDerWaalsContact OD2-CG2 3.23Å; D278-T303 WeakPolarHBondContact OD2-CG2 3.35Å; D278-T303 PolarHBondContact OD2-OG1 3.15Å; L301-T303 HydrophobicContact CD2-CG2 4.28Å; L301-T303 HydrophobicContact CG-CG2 4.15Å; T303-T334 WeakPolarHBondContact O-CB 3.47Å; T303-T334 PolarHBondContact O-OG1 2.93Å; T303-S458 WeakPolarHBondContact O-CB 3.47Å; T303-V459 VanDerWaalsContact CB-O 3.3Å; T303-V459 WeakPolarHBondContact CB-O 3.31Å; T303-V459 PolarHBondContact O-N 3.18Å | ||
| 304 | H | 93.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.019 | 7% | 0.073 | C | C | . | . | trans | -150 | 146.6 | -175.7 | 63.3 | -64.1 | 0 | 0 | 0 | 111.7 | D278 D308 N309 S458 P482 | D278-H304 IonicContact OD1-CE1 3.18Å; D278-H304 IonicContact OD1-ND1 2.75Å; D278-H304 IonicContact OD2-CE1 2.69Å; D278-H304 IonicContact OD2-ND1 3.96Å; H304-D308 IonicContact CD2-OD2 2.76Å; H304-D308 IonicContact NE2-OD2 2.72Å; H304-D308 PolarHBondContact NE2-OD2 3.13Å; H304-N309 PolarHBondContact CE1-ND2 3.29Å; H304-N309 VanDerWaalsContact CE1-ND2 3.3Å; H304-N309 WeakPolarHBondContact NE2-CB 3.31Å; H304-N309 PolarHBondContact O-ND2 2.96Å; H304-S458 VanDerWaalsContact CB-OG 3.29Å; H304-S458 WeakPolarHBondContact CB-OG 3.32Å; H304-P482 VanDerWaalsContact CE1-CG 3.4Å; H304-P482 WeakPolarHBondContact CE1-CG 3.41Å; H304-P482 WeakPolarHBondContact ND1-CD 3.35Å; H304-P482 WeakPolarHBondContact NE2-CG 3.4Å | ||
| 305 | W | 90.2 | Very high | 88.4 | Confident | 8 Ų | 8 | 15.1 Ų | 15.1 | 3% | 0.03 | 8% | 0.077 | C | C | . | . | trans | -90.9 | 112.3 | 165.6 | -68 | 122.7 | 0 | 0 | 0 | 109.1 | I302 I310 L313 L333 T334 L358 F362 W427 L454 | I302-W305 HydrophobicContact CD1-CH2 4.19Å; I302-W305 HydrophobicContact CD1-CZ3 4.5Å; I302-W305 HydrophobicContact CG2-CD2 4.5Å; I302-W305 HydrophobicContact CG2-CE3 4.15Å; I302-W305 HydrophobicContact CG2-CH2 3.94Å; I302-W305 HydrophobicContact CG2-CZ2 4.33Å; I302-W305 HydrophobicContact CG2-CZ3 3.86Å; W305-I310 HydrophobicContact CE3-CD1 4.25Å; W305-I310 HydrophobicContact CZ3-CD1 3.93Å; W305-L313 HydrophobicContact CZ3-CD1 4.29Å; W305-L333 HydrophobicContact CH2-CD1 4.47Å; W305-L333 HydrophobicContact CH2-CD2 3.75Å; W305-L333 HydrophobicContact CZ2-CB 4.28Å; W305-L333 HydrophobicContact CZ2-CD1 4.15Å; W305-L333 HydrophobicContact CZ2-CD2 3.8Å; W305-L333 HydrophobicContact CZ2-CG 4.31Å; W305-T334 VanDerWaalsContact CD1-CG2 3.47Å; W305-T334 HydrophobicContact CD2-CG2 4.1Å; W305-T334 HydrophobicContact CG-CG2 3.84Å; W305-T334 PolarHBondContact NE1-O 2.92Å; W305-L358 HydrophobicContact CB-CD2 4.15Å; W305-F362 AromaticContact CH2-CD2 3.62Å; W305-F362 HydrophobicContact CH2-CD2 3.62Å; W305-F362 AromaticContact CH2-CE2 3.29Å; W305-F362 HydrophobicContact CH2-CE2 3.29Å; W305-F362 HydrophobicContact CH2-CZ 4.16Å; W305-F362 HydrophobicContact CZ2-CD2 4.13Å; W305-F362 AromaticContact CZ2-CE2 3.58Å; W305-F362 HydrophobicContact CZ2-CE2 3.58Å; W305-F362 AromaticContact CZ2-CZ 4Å; W305-F362 HydrophobicContact CZ2-CZ 4Å; W305-F362 AromaticContact CZ3-CD2 3.86Å; W305-F362 HydrophobicContact CZ3-CD2 3.86Å; W305-F362 HydrophobicContact CZ3-CE2 4.03Å; W305-W427 HydrophobicContact CB-CH2 3.91Å; W305-W427 HydrophobicContact CB-CZ3 3.78Å; W305-W427 AromaticContact CD1-CH2 3.77Å; W305-W427 AromaticContact CD1-CZ3 3.77Å; W305-W427 AromaticContact CD2-CH2 3.88Å; W305-W427 HydrophobicContact CD2-CH2 3.88Å; W305-W427 HydrophobicContact CE3-CH2 4.5Å; W305-W427 AromaticContact CG-CH2 3.56Å; W305-W427 HydrophobicContact CG-CH2 3.56Å; W305-W427 AromaticContact CG-CZ3 3.75Å; W305-W427 HydrophobicContact CG-CZ3 3.75Å; W305-L454 HydrophobicContact CB-CD2 4.04Å | ||
| 306 | G | 88.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 11.6 Ų | 11.6 | 5% | 0.052 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -153.8 | 165.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D308 N309 I310 | G306-D308 VanDerWaalsContact C-N 3.34Å; G306-D308 VanDerWaalsContact C-OD1 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.42Å; G306-N309 PolarHBondContact O-N 2.89Å; G306-I310 WeakPolarHBondContact O-CB 3.46Å; G306-I310 WeakPolarHBondContact O-CG2 3.35Å; G306-I310 PolarHBondContact O-N 3.05Å |
| 307 | I | 88.8 | Confident | 88.7 | Confident | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.015 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -73.6 | -35.9 | 176.8 | -64.3 | -71.2 | 0 | 0 | 0 | 109.9 | L116 V121 N309 I310 L311 V356 M435 | L116-I307 HydrophobicContact CD1-CG2 3.81Å; L116-I307 HydrophobicContact CD2-CG2 3.72Å; L116-I307 HydrophobicContact CG-CG2 3.65Å; V121-I307 HydrophobicContact CG2-CG2 4.07Å; I307-N309 PolarHBondContact O-N 3.49Å; I307-I310 HydrophobicContact CD1-CG2 4.39Å; I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 HydrophobicContact CG2-CG 4.29Å; I307-L311 WeakPolarHBondContact O-CG 3.22Å; I307-V356 HydrophobicContact CD1-CB 4.2Å; I307-V356 HydrophobicContact CD1-CG1 3.59Å; I307-M435 HydrophobicContact CG1-CE 3.74Å |
| 308 | D | 89.6 | Confident | 88.3 | Confident | 26 Ų | 26 | 7.8 Ų | 7.8 | 14% | 0.139 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -54.6 | 4.2 | 164 | 48.2 | -39 | 0 | 0 | 0 | 115.5 | V121 G263 G280 C281 H304 G306 | V121-D308 HydrophobicContact CG2-CB 4.46Å; G263-D308 WeakPolarHBondContact CA-O 3.11Å; G280-D308 CarbonylContact C-O 3.53Å; C281-D308 PolarHBondContact N-O 2.91Å; H304-D308 IonicContact CD2-OD2 2.76Å; H304-D308 IonicContact NE2-OD2 2.72Å; H304-D308 PolarHBondContact NE2-OD2 3.13Å; G306-D308 VanDerWaalsContact C-N 3.34Å; G306-D308 VanDerWaalsContact C-OD1 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.42Å |
| 309 | N | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -146.1 | -45.1 | -178.1 | -161.5 | 9.1 | 0 | 0 | 0 | 113.6 | D278 G279 G280 H304 G306 I307 L311 G312 L313 | D278-N309 WeakPolarHBondContact CB-OD1 3.39Å; D278-N309 PolarHBondContact OD1-ND2 2.88Å; G279-N309 PolarHBondContact N-OD1 3.37Å; G280-N309 PolarHBondContact N-OD1 3.3Å; G280-N309 CarbonylContact O-C 3.5Å; G280-N309 VanDerWaalsContact O-CA 3.3Å; G280-N309 WeakPolarHBondContact O-CA 3.14Å; H304-N309 PolarHBondContact CE1-ND2 3.29Å; H304-N309 VanDerWaalsContact CE1-ND2 3.3Å; H304-N309 WeakPolarHBondContact NE2-CB 3.31Å; H304-N309 PolarHBondContact O-ND2 2.96Å; G306-N309 PolarHBondContact O-N 2.89Å; I307-N309 PolarHBondContact O-N 3.49Å; N309-L311 PolarHBondContact O-N 3.18Å; N309-G312 PolarHBondContact O-N 3.09Å; N309-L313 VanDerWaalsContact O-CG 3.25Å; N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 2.88Å; N309-L313 VanDerWaalsContact O-N 3.1Å; N309-L313 WeakPolarHBondContact OD1-CD1 3.37Å |
| 310 | I | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.6 | -30.4 | -174.2 | -163.8 | 63.4 | 0 | 0 | 0 | 112.5 | W305 G306 I307 L313 N314 L358 H361 F362 L365 | W305-I310 HydrophobicContact CE3-CD1 4.25Å; W305-I310 HydrophobicContact CZ3-CD1 3.93Å; G306-I310 WeakPolarHBondContact O-CB 3.46Å; G306-I310 WeakPolarHBondContact O-CG2 3.35Å; G306-I310 PolarHBondContact O-N 3.05Å; I307-I310 HydrophobicContact CD1-CG2 4.39Å; I310-L313 PolarHBondContact O-N 2.95Å; I310-N314 WeakPolarHBondContact O-CB 3.47Å; I310-N314 PolarHBondContact O-N 2.79Å; I310-N314 PolarHBondContact O-ND2 2.85Å; I310-N314 VanDerWaalsContact O-ND2 3.08Å; I310-N314 PolarHBondContact O-OD1 3.44Å; I310-L358 HydrophobicContact CB-CD1 3.86Å; I310-L358 HydrophobicContact CG1-CD1 4Å; I310-L358 HydrophobicContact CG2-CD1 3.86Å; I310-H361 HydrophobicContact CG1-CB 4.49Å; I310-F362 HydrophobicContact CD1-CB 4.42Å; I310-F362 HydrophobicContact CD1-CD2 4.5Å; I310-L365 HydrophobicContact CD1-CD2 4.12Å |
| 311 | L | 84.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 8.8 Ų | 8.8 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.6 | -44.8 | -176.4 | -58.4 | 179.5 | 0 | 0 | 0 | 111.6 | L116 I307 N309 V356 | L116-L311 HydrophobicContact CD2-CD1 3.84Å; L116-L311 HydrophobicContact CD2-CD2 4.41Å; L116-L311 HydrophobicContact CG-CD1 4.2Å; I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 HydrophobicContact CG2-CG 4.29Å; I307-L311 WeakPolarHBondContact O-CG 3.22Å; N309-L311 PolarHBondContact O-N 3.18Å; L311-V356 HydrophobicContact CD2-CG1 4.34Å |
| 312 | G | 86.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.3 | -49.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G279 G280 S282 N309 N314 T315 I316 | G279-G312 WeakPolarHBondContact O-CA 3.3Å; G280-G312 PolarHBondContact O-N 2.98Å; S282-G312 VanDerWaalsContact O-CA 3.26Å; S282-G312 WeakPolarHBondContact O-CA 3.49Å; N309-G312 PolarHBondContact O-N 3.09Å; G312-N314 PolarHBondContact O-N 3.06Å; G312-N314 VanDerWaalsContact O-N 3.15Å; G312-T315 PolarHBondContact O-N 3.27Å; G312-T315 PolarHBondContact O-OG1 3.1Å; G312-I316 WeakPolarHBondContact O-CD1 3.49Å; G312-I316 WeakPolarHBondContact O-CG1 3.35Å; G312-I316 PolarHBondContact O-N 3.39Å |
| 313 | L | 86.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53.7 | -36.3 | -179.9 | -70.3 | 172.5 | 0 | 0 | 0 | 113.5 | I302 W305 N309 I310 T315 I316 L317 | I302-L313 HydrophobicContact CD1-CD1 3.6Å; I302-L313 HydrophobicContact CD1-CD2 3.84Å; I302-L313 HydrophobicContact CD1-CG 4.34Å; I302-L313 HydrophobicContact CG1-CD1 3.78Å; I302-L313 HydrophobicContact CG1-CD2 4Å; I302-L313 HydrophobicContact CG2-CD1 4.12Å; W305-L313 HydrophobicContact CZ3-CD1 4.29Å; N309-L313 VanDerWaalsContact O-CG 3.25Å; N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 2.88Å; N309-L313 VanDerWaalsContact O-N 3.1Å; N309-L313 WeakPolarHBondContact OD1-CD1 3.37Å; I310-L313 PolarHBondContact O-N 2.95Å; L313-T315 PolarHBondContact O-N 2.94Å; L313-I316 PolarHBondContact O-N 2.98Å; L313-L317 HydrophobicContact CB-CD1 4.24Å; L313-L317 HydrophobicContact CD2-CD1 4.17Å; L313-L317 HydrophobicContact CD2-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.26Å; L313-L317 PolarHBondContact O-N 2.82Å |
| 314 | N | 84.5 | Confident | 81.1 | Confident | 32 Ų | 32 | 19.9 Ų | 19.9 | 17% | 0.171 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -26.5 | 175.6 | -70.9 | -27.2 | 0 | 0 | 0 | 113.6 | I310 G312 P318 L365 | I310-N314 WeakPolarHBondContact O-CB 3.47Å; I310-N314 PolarHBondContact O-N 2.79Å; I310-N314 PolarHBondContact O-ND2 2.85Å; I310-N314 VanDerWaalsContact O-ND2 3.08Å; I310-N314 PolarHBondContact O-OD1 3.44Å; G312-N314 PolarHBondContact O-N 3.06Å; G312-N314 VanDerWaalsContact O-N 3.15Å; N314-P318 WeakPolarHBondContact O-CD 3.34Å; N314-P318 VanDerWaalsContact O-CG 3.26Å; N314-P318 WeakPolarHBondContact O-CG 3.39Å; N314-L365 WeakPolarHBondContact OD1-CD2 3.33Å |
| 315 | T | 80 | Confident | 79.4 | Confident | 23 Ų | 23 | 24.3 Ų | 24.3 | 14% | 0.141 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93.7 | -37.3 | 179.9 | 69 | 0 | 0 | 0 | 0 | 112.5 | L238 H283 G312 L313 T319 | L238-T315 WeakPolarHBondContact CD1-O 3.47Å; H283-T315 WeakPolarHBondContact O-CG2 3.38Å; G312-T315 PolarHBondContact O-N 3.27Å; G312-T315 PolarHBondContact O-OG1 3.1Å; L313-T315 PolarHBondContact O-N 2.94Å; T315-T319 PolarHBondContact O-OG1 3.03Å |
| 316 | I | 82.2 | Confident | 78 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -55.7 | -177.6 | -56 | 145.3 | 0 | 0 | 0 | 110.1 | L238 L276 P285 F287 G312 L313 T319 V320 | L238-I316 HydrophobicContact CD1-CG1 4.48Å; L276-I316 HydrophobicContact CD2-CG2 4.12Å; P285-I316 HydrophobicContact CG-CD1 4.35Å; P285-I316 HydrophobicContact CG-CG1 3.97Å; F287-I316 HydrophobicContact CE1-CD1 3.45Å; F287-I316 VanDerWaalsContact CE1-CD1 3.45Å; F287-I316 HydrophobicContact CE1-CG1 3.99Å; F287-I316 HydrophobicContact CZ-CD1 3.43Å; F287-I316 VanDerWaalsContact CZ-CD1 3.43Å; F287-I316 HydrophobicContact CZ-CG1 3.69Å; F287-I316 HydrophobicContact CZ-CG2 4.21Å; G312-I316 WeakPolarHBondContact O-CD1 3.49Å; G312-I316 WeakPolarHBondContact O-CG1 3.35Å; G312-I316 PolarHBondContact O-N 3.39Å; L313-I316 PolarHBondContact O-N 2.98Å; I316-T319 WeakPolarHBondContact O-CA 3.33Å; I316-T319 WeakPolarHBondContact O-CB 3.48Å; I316-T319 PolarHBondContact O-N 3.43Å; I316-V320 HydrophobicContact CG2-CG2 3.73Å; I316-V320 WeakPolarHBondContact O-CG2 3.35Å; I316-V320 PolarHBondContact O-N 3.04Å |
| 317 | L | 82.5 | Confident | 76.8 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -45.5 | -165.7 | -63.7 | -177.6 | 0 | 0 | 0 | 112.8 | V300 I302 L313 T319 V320 F321 L365 I369 | V300-L317 HydrophobicContact CG1-CD2 4.43Å; V300-L317 HydrophobicContact CG2-CD2 4.23Å; I302-L317 HydrophobicContact CD1-CD1 4.32Å; L313-L317 HydrophobicContact CB-CD1 4.24Å; L313-L317 HydrophobicContact CD2-CD1 4.17Å; L313-L317 HydrophobicContact CD2-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.26Å; L313-L317 PolarHBondContact O-N 2.82Å; L317-T319 PolarHBondContact O-N 3.24Å; L317-T319 VanDerWaalsContact O-N 3.1Å; L317-V320 PolarHBondContact O-N 3.09Å; L317-F321 HydrophobicContact CB-CD2 3.91Å; L317-F321 HydrophobicContact CB-CE2 3.71Å; L317-F321 HydrophobicContact CD1-CE2 4.34Å; L317-F321 HydrophobicContact CD2-CE2 3.72Å; L317-F321 HydrophobicContact CD2-CZ 4.11Å; L317-F321 HydrophobicContact CG-CE2 4.11Å; L317-F321 WeakPolarHBondContact O-CB 3.13Å; L317-F321 WeakPolarHBondContact O-CD2 3.37Å; L317-F321 WeakPolarHBondContact O-CG 3.37Å; L317-F321 PolarHBondContact O-N 3.4Å; L317-L365 HydrophobicContact CB-CD1 4.23Å; L317-L365 HydrophobicContact CD1-CD2 4.22Å; L317-I369 HydrophobicContact CB-CD1 3.94Å; L317-I369 HydrophobicContact CD1-CD1 4.43Å |
| 318 | P | 78.7 | Confident | 76 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -14.1 | 174.8 | -21.9 | 36.1 | 0 | 0 | 0 | 114.1 | N314 K322 L365 | N314-P318 WeakPolarHBondContact O-CD 3.34Å; N314-P318 VanDerWaalsContact O-CG 3.26Å; N314-P318 WeakPolarHBondContact O-CG 3.39Å; P318-K322 VanDerWaalsContact O-CE 3.24Å; P318-K322 WeakPolarHBondContact O-CE 3.39Å; P318-K322 VanDerWaalsContact O-CG 3.27Å; P318-K322 WeakPolarHBondContact O-CG 3.39Å; P318-L365 HydrophobicContact CG-CD1 3.58Å |
| 319 | T | 76 | Confident | 75.6 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -88.5 | -55.8 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L238 M240 W288 T315 I316 L317 F321 K322 | L238-T319 HydrophobicContact CB-CG2 3.96Å; L238-T319 VanDerWaalsContact O-CG2 3.31Å; L238-T319 WeakPolarHBondContact O-CG2 3.4Å; M240-T319 HydrophobicContact CG-CG2 3.57Å; M240-T319 HydrophobicContact SD-CG2 3.93Å; W288-T319 HydrophobicContact CH2-CG2 4.03Å; W288-T319 HydrophobicContact CZ2-CG2 3.97Å; T315-T319 PolarHBondContact O-OG1 3.03Å; I316-T319 WeakPolarHBondContact O-CA 3.33Å; I316-T319 WeakPolarHBondContact O-CB 3.48Å; I316-T319 PolarHBondContact O-N 3.43Å; L317-T319 PolarHBondContact O-N 3.24Å; L317-T319 VanDerWaalsContact O-N 3.1Å; T319-F321 VanDerWaalsContact C-N 3.25Å; T319-F321 PolarHBondContact O-N 2.96Å; T319-K322 WeakPolarHBondContact O-CB 3.44Å; T319-K322 WeakPolarHBondContact O-CG 3.45Å; T319-K322 PolarHBondContact O-N 3.41Å |
| 320 | V | 73.1 | Confident | 75.2 | Confident | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -34.9 | -177.3 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | W288 L297 I316 L317 K322 L329 | W288-V320 HydrophobicContact CH2-CG2 3.95Å; W288-V320 HydrophobicContact CZ3-CG2 3.52Å; L297-V320 HydrophobicContact CB-CG1 4.5Å; L297-V320 HydrophobicContact CD2-CG1 4.1Å; I316-V320 HydrophobicContact CG2-CG2 3.73Å; I316-V320 WeakPolarHBondContact O-CG2 3.35Å; I316-V320 PolarHBondContact O-N 3.04Å; L317-V320 PolarHBondContact O-N 3.09Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.05Å; V320-L329 HydrophobicContact CG1-CD2 3.42Å; V320-L329 VanDerWaalsContact CG1-CD2 3.42Å |
| 321 | F | 70.6 | Confident | 75.2 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.2 | 179.1 | -65.4 | -54.9 | 0 | 0 | 0 | 114.5 | L317 T319 L329 C331 I369 T374 L376 | L317-F321 HydrophobicContact CB-CD2 3.91Å; L317-F321 HydrophobicContact CB-CE2 3.71Å; L317-F321 HydrophobicContact CD1-CE2 4.34Å; L317-F321 HydrophobicContact CD2-CE2 3.72Å; L317-F321 HydrophobicContact CD2-CZ 4.11Å; L317-F321 HydrophobicContact CG-CE2 4.11Å; L317-F321 WeakPolarHBondContact O-CB 3.13Å; L317-F321 WeakPolarHBondContact O-CD2 3.37Å; L317-F321 WeakPolarHBondContact O-CG 3.37Å; L317-F321 PolarHBondContact O-N 3.4Å; T319-F321 VanDerWaalsContact C-N 3.25Å; T319-F321 PolarHBondContact O-N 2.96Å; F321-L329 HydrophobicContact CD1-CB 4.21Å; F321-L329 HydrophobicContact CD1-CD2 3.85Å; F321-L329 HydrophobicContact CD1-CG 4.29Å; F321-L329 HydrophobicContact CE1-CB 3.78Å; F321-L329 HydrophobicContact CE1-CD2 3.4Å; F321-L329 HydrophobicContact CE1-CG 3.55Å; F321-L329 HydrophobicContact CZ-CD2 4.17Å; F321-L329 HydrophobicContact CZ-CG 4.38Å; F321-C331 HydrophobicContact CZ-CB 4.49Å; F321-I369 HydrophobicContact CD2-CB 4.48Å; F321-I369 HydrophobicContact CD2-CD1 3.89Å; F321-I369 HydrophobicContact CD2-CG1 3.89Å; F321-I369 HydrophobicContact CD2-CG2 3.77Å; F321-I369 HydrophobicContact CE2-CD1 3.89Å; F321-I369 HydrophobicContact CE2-CG1 4.4Å; F321-I369 HydrophobicContact CE2-CG2 4.26Å; F321-I369 HydrophobicContact CG-CG2 4.26Å; F321-T374 HydrophobicContact CB-CG2 3.8Å; F321-T374 WeakPolarHBondContact O-CB 3.47Å; F321-T374 WeakPolarHBondContact O-CG2 3.48Å; F321-L376 HydrophobicContact CD1-CD1 4.43Å; F321-L376 HydrophobicContact CE1-CB 4.25Å; F321-L376 HydrophobicContact CE1-CD1 3.42Å; F321-L376 VanDerWaalsContact CE1-CD1 3.42Å; F321-L376 HydrophobicContact CE1-CD2 4.26Å; F321-L376 HydrophobicContact CE1-CG 4.16Å; F321-L376 HydrophobicContact CE2-CD1 4.35Å; F321-L376 HydrophobicContact CE2-CD2 3.88Å; F321-L376 HydrophobicContact CZ-CD1 3.4Å; F321-L376 HydrophobicContact CZ-CD2 3.76Å; F321-L376 HydrophobicContact CZ-CG 4.08Å |
| 322 | K | 69.2 | Low | 75.5 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 27% | 0.274 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -57.1 | 142.1 | -177.2 | -75.6 | 179.3 | 179.2 | 175.2 | 0 | 111.4 | T237 M240 P318 T319 V320 S324 | T237-K322 PolarHBondContact OG1-NZ 3.5Å; M240-K322 HydrophobicContact CE-CB 4.41Å; P318-K322 VanDerWaalsContact O-CE 3.24Å; P318-K322 WeakPolarHBondContact O-CE 3.39Å; P318-K322 VanDerWaalsContact O-CG 3.27Å; P318-K322 WeakPolarHBondContact O-CG 3.39Å; T319-K322 WeakPolarHBondContact O-CB 3.44Å; T319-K322 WeakPolarHBondContact O-CG 3.45Å; T319-K322 PolarHBondContact O-N 3.41Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.05Å; K322-S324 PolarHBondContact O-N 3.27Å |
| 323 | P | 59.1 | Low | 75.7 | Confident | 96 Ų | 96 | 41.2 Ų | 41.2 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 36.2 | -167.9 | 33.3 | -39.1 | 0 | 0 | 0 | 114.4 | N325 S372 | P323-N325 VanDerWaalsContact C-N 3.32Å; P323-S372 WeakPolarHBondContact CG-O 3.38Å |
| 324 | S | 59.4 | Low | 75.9 | Confident | 78 Ų | 78 | 41.3 Ų | 41.3 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17.1 | 167.1 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | K322 | K322-S324 PolarHBondContact O-N 3.27Š|
| 325 | N | 56.9 | Low | 76 | Confident | 98 Ų | 98 | 40.2 Ų | 40.2 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | trans | -120.5 | 117.9 | -173.5 | -59.7 | -0.8 | 0 | 0 | 0 | 109.9 | P323 Q327 | P323-N325 VanDerWaalsContact C-N 3.32Å; N325-Q327 PolarHBondContact O-N 2.87Å; N325-Q327 VanDerWaalsContact O-N 3.16Å | ||
| 326 | D | 61.1 | Low | 76 | Confident | 155 Ų | 155 | 39.5 Ų | 39.5 | 83% | 0.829 | 23% | 0.225 | S | C | * | . | trans | -67.3 | -9.4 | 173.6 | -71.9 | -46.4 | 0 | 0 | 0 | 113.6 | S328 | D326-S328 PolarHBondContact O-N 3.49Š| ||
| 327 | Q | 64.5 | Low | 75.3 | Confident | 119 Ų | 119 | 40.2 Ų | 40.2 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -73.9 | 124.6 | -178 | -62.2 | -173.9 | 27.6 | 0 | 0 | 111.1 | N325 L329 | N325-Q327 PolarHBondContact O-N 2.87Å; N325-Q327 VanDerWaalsContact O-N 3.16Å; Q327-L329 PolarHBondContact O-N 2.74Å |
| 328 | S | 72 | Confident | 74.4 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 58% | 0.58 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -76.2 | 119.2 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | D326 N375 | D326-S328 PolarHBondContact O-N 3.49Å; S328-N375 WeakPolarHBondContact CA-O 3.24Å; S328-N375 WeakPolarHBondContact CB-O 3.27Å |
| 329 | L | 80.1 | Confident | 73.7 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.4 | -178.3 | 172.9 | 53 | 0 | 0 | 0 | 110.7 | L297 D298 S299 V300 V320 F321 Q327 N375 L376 M377 | L297-L329 HydrophobicContact CD2-CD2 4.49Å; D298-L329 VanDerWaalsContact O-CD1 3.25Å; D298-L329 WeakPolarHBondContact O-CD1 3.5Å; S299-L329 VanDerWaalsContact CA-CD1 3.45Å; V300-L329 HydrophobicContact CG2-CD1 4.5Å; V300-L329 HydrophobicContact CG2-CD2 4.38Å; V320-L329 HydrophobicContact CG1-CD2 3.42Å; V320-L329 VanDerWaalsContact CG1-CD2 3.42Å; F321-L329 HydrophobicContact CD1-CB 4.21Å; F321-L329 HydrophobicContact CD1-CD2 3.85Å; F321-L329 HydrophobicContact CD1-CG 4.29Å; F321-L329 HydrophobicContact CE1-CB 3.78Å; F321-L329 HydrophobicContact CE1-CD2 3.4Å; F321-L329 HydrophobicContact CE1-CG 3.55Å; F321-L329 HydrophobicContact CZ-CD2 4.17Å; F321-L329 HydrophobicContact CZ-CG 4.38Å; Q327-L329 PolarHBondContact O-N 2.74Å; L329-N375 PolarHBondContact N-O 3.43Å; L329-L376 VanDerWaalsContact O-CD1 3.24Å; L329-L376 WeakPolarHBondContact O-CD1 3.31Å; L329-M377 PolarHBondContact O-N 3.22Å |
| 330 | L | 84.9 | Confident | 72.8 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.7 | 179.2 | 172.9 | 51.1 | 0 | 0 | 0 | 111.6 | D298 S299 V300 L332 M377 L396 | D298-L330 PolarHBondContact O-N 3.08Å; S299-L330 CarbonylContact C-O 3.54Å; S299-L330 WeakPolarHBondContact CA-O 3.43Å; S299-L330 VanDerWaalsContact CB-O 3.31Å; S299-L330 WeakPolarHBondContact CB-O 3.46Å; V300-L330 PolarHBondContact N-O 2.94Å; L330-L332 HydrophobicContact CD1-CD2 3.62Å; L330-L332 HydrophobicContact CD1-CG 4.47Å; L330-L332 HydrophobicContact CD2-CD2 3.99Å; L330-L332 HydrophobicContact CG-CD2 3.73Å; L330-L332 HydrophobicContact CG-CG 4.2Å; L330-M377 WeakPolarHBondContact CA-O 3.47Å; L330-M377 HydrophobicContact CB-CE 4.26Å; L330-M377 HydrophobicContact CD1-CB 4.36Å; L330-M377 HydrophobicContact CD1-CE 3.73Å; L330-M377 HydrophobicContact CD1-CG 4.12Å; L330-M377 WeakPolarHBondContact CD1-O 3.25Å; L330-M377 HydrophobicContact CD2-CE 4.04Å; L330-M377 HydrophobicContact CG-CE 4.22Å; L330-L396 HydrophobicContact CD2-CD2 4.14Å |
| 331 | C | 87.6 | Confident | 71.9 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.1 | 173.7 | -172 | 0 | 0 | 0 | 0 | 111.3 | V300 F321 L333 L376 M377 Y379 | V300-C331 CarbonylContact O-C 3.51Å; V300-C331 WeakPolarHBondContact O-CA 3.19Å; F321-C331 HydrophobicContact CZ-CB 4.49Å; C331-L333 WeakPolarHBondContact SG-CD2 3.36Å; C331-L376 HydrophobicContact CB-CD1 3.42Å; C331-L376 VanDerWaalsContact CB-CD1 3.42Å; C331-L376 HydrophobicContact CB-CG 4.49Å; C331-M377 PolarHBondContact N-O 3.4Å; C331-Y379 PolarHBondContact O-N 3.18Å |
| 332 | L | 90.4 | Very high | 71.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114 | 179.7 | -56 | -178 | 0 | 0 | 0 | 108.7 | M275 V300 L301 I302 L330 Y379 V381 L394 L396 L407 | M275-L332 HydrophobicContact CE-CD1 4.08Å; V300-L332 PolarHBondContact O-N 3.43Å; L301-L332 HydrophobicContact CB-CB 4.45Å; L301-L332 HydrophobicContact CD1-CB 3.81Å; L301-L332 HydrophobicContact CD1-CD1 4.41Å; I302-L332 PolarHBondContact N-O 3.15Å; L330-L332 HydrophobicContact CD1-CD2 3.62Å; L330-L332 HydrophobicContact CD1-CG 4.47Å; L330-L332 HydrophobicContact CD2-CD2 3.99Å; L330-L332 HydrophobicContact CG-CD2 3.73Å; L330-L332 HydrophobicContact CG-CG 4.2Å; L332-Y379 HydrophobicContact CD2-CD1 4.34Å; L332-Y379 HydrophobicContact CD2-CG 4.44Å; L332-V381 HydrophobicContact CB-CG2 3.76Å; L332-V381 HydrophobicContact CD2-CG2 4.37Å; L332-L394 HydrophobicContact CD2-CD2 3.72Å; L332-L396 HydrophobicContact CD1-CD1 4.13Å; L332-L396 HydrophobicContact CD1-CD2 3.68Å; L332-L396 HydrophobicContact CD2-CD2 4.34Å; L332-L407 HydrophobicContact CD1-CD1 3.85Å |
| 333 | L | 90.7 | Very high | 70.7 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.2 | -170.2 | -65.2 | -175.4 | 0 | 0 | 0 | 113 | I302 W305 C331 P337 I339 F362 V378 Y379 V381 | I302-L333 HydrophobicContact CB-CD2 3.82Å; I302-L333 HydrophobicContact CD1-CD2 3.41Å; I302-L333 VanDerWaalsContact CD1-CD2 3.41Å; I302-L333 HydrophobicContact CG1-CD2 4.1Å; I302-L333 HydrophobicContact CG2-CD2 4.4Å; W305-L333 HydrophobicContact CH2-CD1 4.47Å; W305-L333 HydrophobicContact CH2-CD2 3.75Å; W305-L333 HydrophobicContact CZ2-CB 4.28Å; W305-L333 HydrophobicContact CZ2-CD1 4.15Å; W305-L333 HydrophobicContact CZ2-CD2 3.8Å; W305-L333 HydrophobicContact CZ2-CG 4.31Å; C331-L333 WeakPolarHBondContact SG-CD2 3.36Å; L333-P337 HydrophobicContact CB-CB 3.37Å; L333-P337 HydrophobicContact CB-CG 3.69Å; L333-P337 HydrophobicContact CD1-CB 3.61Å; L333-P337 HydrophobicContact CG-CB 4.12Å; L333-I339 HydrophobicContact CD1-CD1 3.52Å; L333-I339 HydrophobicContact CD1-CG1 4.35Å; L333-F362 HydrophobicContact CD1-CE2 4.46Å; L333-F362 HydrophobicContact CD1-CZ 4.33Å; L333-V378 HydrophobicContact CD1-CG1 3.74Å; L333-V378 HydrophobicContact CG-CG1 4.36Å; L333-Y379 PolarHBondContact N-O 3.01Å; L333-V381 PolarHBondContact O-N 3.1Å |
| 334 | T | 91.4 | Very high | 70.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 148.5 | 165.1 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | I302 T303 W305 P337 S458 V459 | I302-T334 HydrophobicContact CG2-CG2 4.2Å; I302-T334 WeakPolarHBondContact O-CB 3.45Å; I302-T334 PolarHBondContact O-N 3.26Å; I302-T334 VanDerWaalsContact O-N 3.1Å; T303-T334 WeakPolarHBondContact O-CB 3.47Å; T303-T334 PolarHBondContact O-OG1 2.93Å; W305-T334 VanDerWaalsContact CD1-CG2 3.47Å; W305-T334 HydrophobicContact CD2-CG2 4.1Å; W305-T334 HydrophobicContact CG-CG2 3.84Å; W305-T334 PolarHBondContact NE1-O 2.92Å; T334-P337 WeakPolarHBondContact O-CG 3.28Å; T334-S458 WeakPolarHBondContact OG1-CA 3.29Å; T334-V459 PolarHBondContact OG1-N 3.35Å |
| 335 | P | 86.7 | Confident | 70.8 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -60.8 | 143.9 | 175.8 | -27.9 | 38.8 | 0 | 0 | 0 | 114 | V381 T382 P412 L420 L423 | P335-V381 WeakPolarHBondContact CD-O 3.36Å; P335-T382 HydrophobicContact CG-CG2 3.83Å; P335-P412 HydrophobicContact CG-CG 3.82Å; P335-L420 HydrophobicContact CB-CD2 3.54Å; P335-L420 HydrophobicContact CG-CD2 3.95Å; P335-L423 HydrophobicContact CB-CD2 4.09Å; P335-L423 WeakPolarHBondContact O-CD2 3.41Å |
| 336 | P | 79.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | cis | -98 | 128.7 | -2 | 36.2 | -25.3 | 0 | 0 | 0 | 111.5 | M342 L423 W427 | P336-M342 HydrophobicContact CB-CE 4.29Å; P336-M342 HydrophobicContact CG-CE 4.45Å; P336-L423 HydrophobicContact CB-CD2 4.25Å; P336-L423 VanDerWaalsContact CD-CD2 3.5Å; P336-L423 HydrophobicContact CG-CD2 4.01Å; P336-L423 HydrophobicContact CG-CG 3.95Å; P336-W427 HydrophobicContact CG-CB 3.89Å; P336-W427 HydrophobicContact CG-CD2 3.53Å; P336-W427 HydrophobicContact CG-CE3 3.58Å; P336-W427 HydrophobicContact CG-CG 3.68Å; P336-W427 HydrophobicContact CG-CZ3 4.35Å |
| 337 | P | 65.9 | Low | 70.5 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | trans | -129.8 | 54.2 | -177.1 | 34.9 | -10.7 | 0 | 0 | 0 | 110.7 | L333 T334 I339 P380 | L333-P337 HydrophobicContact CB-CB 3.37Å; L333-P337 HydrophobicContact CB-CG 3.69Å; L333-P337 HydrophobicContact CD1-CB 3.61Å; L333-P337 HydrophobicContact CG-CB 4.12Å; T334-P337 WeakPolarHBondContact O-CG 3.28Å; P337-I339 PolarHBondContact O-N 2.92Å; P337-P380 HydrophobicContact CG-CB 3.72Å | ||
| 338 | N | 64.8 | Low | 69.7 | Low | 71 Ų | 71 | 57.9 Ų | 57.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -83.7 | 60.4 | 179.8 | -164.8 | -11 | 0 | 0 | 0 | 110.8 | N340 N341 M342 | N338-N340 PolarHBondContact O-N 3.26Å; N338-N341 PolarHBondContact O-N 3.41Å; N338-N341 WeakPolarHBondContact OD1-CB 3.22Å; N338-N341 PolarHBondContact OD1-N 2.81Å; N338-M342 HydrophobicContact CB-CG 4.13Å; N338-M342 HydrophobicContact CB-SD 4.32Å; N338-M342 PolarHBondContact O-N 3.15Å; N338-M342 VanDerWaalsContact O-N 3.11Å | ||
| 339 | I | 63.2 | Low | 68.8 | Low | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.7 | -173.1 | -80.3 | -174.1 | 0 | 0 | 0 | 113.3 | L333 P337 F362 V366 K370 V378 | L333-I339 HydrophobicContact CD1-CD1 3.52Å; L333-I339 HydrophobicContact CD1-CG1 4.35Å; P337-I339 PolarHBondContact O-N 2.92Å; I339-F362 HydrophobicContact CD1-CE2 4.21Å; I339-F362 HydrophobicContact CD1-CZ 3.68Å; I339-F362 HydrophobicContact CG1-CE1 4.01Å; I339-F362 HydrophobicContact CG1-CE2 4.48Å; I339-F362 HydrophobicContact CG1-CZ 3.51Å; I339-V366 HydrophobicContact CD1-CG2 3.75Å; I339-V366 HydrophobicContact CG1-CG1 4.49Å; I339-V366 HydrophobicContact CG1-CG2 3.87Å; I339-V366 HydrophobicContact CG2-CG1 3.83Å; I339-K370 PolarHBondContact O-NZ 2.99Å; I339-V378 HydrophobicContact CB-CG1 4.48Å; I339-V378 HydrophobicContact CB-CG2 4.48Å; I339-V378 HydrophobicContact CD1-CG1 3.93Å; I339-V378 HydrophobicContact CD1-CG2 3.79Å; I339-V378 HydrophobicContact CG1-CG1 4.43Å; I339-V378 HydrophobicContact CG2-CG2 4.26Å |
| 340 | N | 57.8 | Low | 67.6 | Low | 132 Ų | 132 | 68.3 Ų | 68.3 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -31.6 | -176.2 | -67.2 | -14.6 | 0 | 0 | 0 | 113.8 | N338 | N338-N340 PolarHBondContact O-N 3.26Š|
| 341 | N | 54.8 | Low | 66.5 | Low | 127 Ų | 127 | 72.8 Ų | 72.8 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -4.7 | -172.2 | -65.1 | -9.7 | 0 | 0 | 0 | 114.9 | N338 K343 | N338-N341 PolarHBondContact O-N 3.41Å; N338-N341 WeakPolarHBondContact OD1-CB 3.22Å; N338-N341 PolarHBondContact OD1-N 2.81Å; N341-K343 PolarHBondContact O-N 2.84Å |
| 342 | M | 54.9 | Low | 65.6 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 21% | 0.212 | 41% | 0.413 | C | S | . | . | trans | -72.6 | 90.2 | 177 | -85.6 | 178.8 | 153.7 | 0 | 0 | 112.5 | P336 N338 I344 W427 | P336-M342 HydrophobicContact CB-CE 4.29Å; P336-M342 HydrophobicContact CG-CE 4.45Å; N338-M342 HydrophobicContact CB-CG 4.13Å; N338-M342 HydrophobicContact CB-SD 4.32Å; N338-M342 PolarHBondContact O-N 3.15Å; N338-M342 VanDerWaalsContact O-N 3.11Å; M342-I344 VanDerWaalsContact C-N 3.29Å; M342-I344 PolarHBondContact O-N 2.71Å; M342-W427 HydrophobicContact CE-CB 4.23Å; M342-W427 VanDerWaalsContact CE-CD1 3.45Å; M342-W427 HydrophobicContact CE-CG 3.99Å | ||
| 343 | K | 59 | Low | 64.8 | Low | 182 Ų | 182 | 80.4 Ų | 80.4 | 79% | 0.791 | 44% | 0.436 | S | S | * | . | trans | -68.8 | 92.4 | 151.7 | -71 | -169.6 | 178.2 | -174 | 0 | 108.3 | N341 N345 | N341-K343 PolarHBondContact O-N 2.84Å; K343-N345 PolarHBondContact O-N 3.2Å | ||
| 344 | I | 62 | Low | 64.6 | Low | 24 Ų | 24 | 80.5 Ų | 80.5 | 12% | 0.123 | 44% | 0.437 | C | S | . | . | trans | -66.9 | 118.8 | 165.1 | -85.3 | 163 | 0 | 0 | 0 | 107.8 | M342 N346 P359 M360 C430 | M342-I344 VanDerWaalsContact C-N 3.29Å; M342-I344 PolarHBondContact O-N 2.71Å; I344-N346 PolarHBondContact O-N 3.25Å; I344-P359 HydrophobicContact CD1-CB 4.35Å; I344-M360 HydrophobicContact CG2-SD 3.67Å; I344-C430 WeakPolarHBondContact CG2-SG 3.47Å | ||
| 345 | N | 58.5 | Low | 64.4 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 65% | 0.647 | 44% | 0.442 | S | S | * | . | trans | -81.7 | 100.1 | 170.7 | -72.4 | -24.9 | 0 | 0 | 0 | 107.1 | K343 P347 | K343-N345 PolarHBondContact O-N 3.2Å; N345-P347 WeakPolarHBondContact O-CD 3.3Å; N345-P347 VanDerWaalsContact O-N 3.14Å | ||
| 346 | N | 56.6 | Low | 64.5 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | trans | -52.6 | 122 | 169.6 | -73.9 | 24.1 | 0 | 0 | 0 | 108.7 | I344 T348 M360 | I344-N346 PolarHBondContact O-N 3.25Å; N346-T348 PolarHBondContact O-N 2.88Å; N346-M360 WeakPolarHBondContact OD1-CE 3.07Å | ||
| 347 | P | 54.2 | Low | 64.9 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | trans | -60.7 | 135 | 165.1 | 26.9 | -32.3 | 0 | 0 | 0 | 108 | N345 Q349 | N345-P347 WeakPolarHBondContact O-CD 3.3Å; N345-P347 VanDerWaalsContact O-N 3.14Å; P347-Q349 PolarHBondContact O-N 2.84Å | ||
| 348 | T | 48 | Very low | 66.1 | Low | 152 Ų | 152 | 81 Ų | 81 | 93% | 0.933 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -79.9 | 56.5 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | N346 | N346-T348 PolarHBondContact O-N 2.88Š|
| 349 | Q | 54.1 | Low | 67.2 | Low | 163 Ų | 163 | 77.7 Ų | 77.7 | 76% | 0.762 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -126.3 | 131.5 | 169.2 | -69 | -176.1 | -33.5 | 0 | 0 | 106 | P347 | P347-Q349 PolarHBondContact O-N 2.84Š|
| 350 | D | 55.2 | Low | 68.3 | Low | 153 Ų | 153 | 78.3 Ų | 78.3 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 132.5 | 175.7 | -57.4 | -65.3 | 0 | 0 | 0 | 109 | L352 | D350-L352 PolarHBondContact O-N 2.78Š|
| 351 | P | 60.8 | Low | 69.6 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 75% | 0.747 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 127.7 | -178.1 | 24.8 | -33.3 | 0 | 0 | 0 | 108.9 | ||
| 352 | L | 68.9 | Low | 71.2 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 132.4 | -179.9 | -74.2 | 169.2 | 0 | 0 | 0 | 108.7 | D350 F354 T355 | D350-L352 PolarHBondContact O-N 2.78Å; L352-F354 PolarHBondContact O-N 2.98Å; L352-T355 HydrophobicContact CB-CG2 3.6Å; L352-T355 HydrophobicContact CD1-CG2 4.44Å; L352-T355 PolarHBondContact O-N 2.85Å; L352-T355 PolarHBondContact O-OG1 3.26Å |
| 353 | P | 74.4 | Confident | 72.6 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 141.5 | 178.5 | 25.3 | -34.2 | 0 | 0 | 0 | 109.1 | A161 T355 | A161-P353 VanDerWaalsContact CB-O 3.31Å; A161-P353 WeakPolarHBondContact CB-O 3.41Å; P353-T355 VanDerWaalsContact C-N 3.31Å; P353-T355 PolarHBondContact O-N 2.92Å |
| 354 | F | 85.4 | Confident | 73.8 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.022 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 21.8 | -174.6 | -38.6 | -80.2 | 0 | 0 | 0 | 116.7 | L13 Q18 L22 D25 G106 L107 L108 L352 | L13-F354 HydrophobicContact CD2-CD1 3.72Å; L13-F354 HydrophobicContact CD2-CE1 3.44Å; L13-F354 VanDerWaalsContact CD2-CE1 3.44Å; Q18-F354 HydrophobicContact CB-CD1 4.34Å; Q18-F354 HydrophobicContact CB-CE1 3.73Å; Q18-F354 HydrophobicContact CB-CZ 4.49Å; L22-F354 HydrophobicContact CD2-CE1 4.01Å; L22-F354 HydrophobicContact CD2-CZ 4.14Å; L22-F354 HydrophobicContact CG-CE1 4.37Å; L22-F354 HydrophobicContact CG-CZ 4.36Å; D25-F354 HydrophobicContact CB-CD2 4.22Å; D25-F354 HydrophobicContact CB-CE2 3.77Å; G106-F354 VanDerWaalsContact O-CB 3.27Å; G106-F354 WeakPolarHBondContact O-CB 3.38Å; L107-F354 CarbonylContact C-O 3.58Å; L107-F354 WeakPolarHBondContact CA-O 3.34Å; L107-F354 HydrophobicContact CD2-CB 4.31Å; L108-F354 PolarHBondContact N-O 2.81Å; L352-F354 PolarHBondContact O-N 2.98Å |
| 355 | T | 87.3 | Confident | 74.8 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.1 | 174.9 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | L108 V162 L352 P353 | L108-T355 CarbonylContact O-C 3.59Å; L108-T355 WeakPolarHBondContact O-CA 3.41Å; V162-T355 HydrophobicContact CG2-CG2 3.92Å; L352-T355 HydrophobicContact CB-CG2 3.6Å; L352-T355 HydrophobicContact CD1-CG2 4.44Å; L352-T355 PolarHBondContact O-N 2.85Å; L352-T355 PolarHBondContact O-OG1 3.26Å; P353-T355 VanDerWaalsContact C-N 3.31Å; P353-T355 PolarHBondContact O-N 2.92Å |
| 356 | V | 88.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 99.4 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 109 | L107 L108 D110 L116 I307 L311 | L107-V356 HydrophobicContact CD1-CG2 4.29Å; L107-V356 HydrophobicContact CD2-CG2 4.13Å; L108-V356 PolarHBondContact O-N 3.17Å; D110-V356 PolarHBondContact N-O 3.22Å; L116-V356 HydrophobicContact CD2-CB 4.32Å; L116-V356 HydrophobicContact CD2-CG2 3.76Å; I307-V356 HydrophobicContact CD1-CB 4.2Å; I307-V356 HydrophobicContact CD1-CG1 3.59Å; L311-V356 HydrophobicContact CD2-CG1 4.34Å |
| 357 | N | 89.9 | Confident | 77 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | trans | -87.3 | 112.6 | 171.5 | -178 | -75.2 | 0 | 0 | 0 | 109.8 | D110 P359 M360 H361 C430 | D110-N357 HydrophobicContact CB-CB 4.04Å; D110-N357 PolarHBondContact OD2-ND2 2.82Å; N357-P359 WeakPolarHBondContact OD1-CD 3.15Å; N357-M360 HydrophobicContact CB-CB 4.07Å; N357-M360 HydrophobicContact CB-CG 4.09Å; N357-M360 WeakPolarHBondContact O-CB 3.15Å; N357-M360 PolarHBondContact O-N 3.17Å; N357-M360 VanDerWaalsContact O-N 3.09Å; N357-M360 WeakPolarHBondContact OD1-CG 3.47Å; N357-M360 PolarHBondContact OD1-N 3.25Å; N357-H361 PolarHBondContact O-CD2 2.79Å; N357-H361 PolarHBondContact O-N 2.88Å; N357-C430 PolarHBondContact ND2-O 3.42Å | ||
| 358 | L | 89.1 | Confident | 78.2 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | -169.6 | 171.9 | 64.7 | 0 | 0 | 0 | 113.9 | W305 I310 M360 H361 F362 W427 M435 L454 | W305-L358 HydrophobicContact CB-CD2 4.15Å; I310-L358 HydrophobicContact CB-CD1 3.86Å; I310-L358 HydrophobicContact CG1-CD1 4Å; I310-L358 HydrophobicContact CG2-CD1 3.86Å; L358-M360 PolarHBondContact O-N 2.93Å; L358-H361 PolarHBondContact O-N 2.96Å; L358-F362 WeakPolarHBondContact O-CB 3.1Å; L358-F362 PolarHBondContact O-N 2.89Å; L358-W427 HydrophobicContact CD2-CH2 4.44Å; L358-W427 HydrophobicContact CD2-CZ3 4.18Å; L358-W427 HydrophobicContact CG-CH2 4.02Å; L358-W427 HydrophobicContact CG-CZ3 4.19Å; L358-M435 HydrophobicContact CB-SD 4.27Å; L358-M435 HydrophobicContact CD2-SD 3.78Å; L358-L454 HydrophobicContact CD2-CD1 3.88Å; L358-L454 HydrophobicContact CD2-CD2 4.2Å |
| 359 | P | 88.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -41 | 171.5 | -29.6 | 36.5 | 0 | 0 | 0 | 114.6 | I344 N357 S363 W427 C430 L434 | I344-P359 HydrophobicContact CD1-CB 4.35Å; N357-P359 WeakPolarHBondContact OD1-CD 3.15Å; P359-S363 WeakPolarHBondContact O-CB 3.21Å; P359-S363 PolarHBondContact O-N 2.8Å; P359-W427 HydrophobicContact CB-CD2 4.16Å; P359-W427 HydrophobicContact CB-CG 4.14Å; P359-W427 HydrophobicContact CB-CZ2 4.47Å; P359-W427 HydrophobicContact CG-CB 4.47Å; P359-W427 HydrophobicContact CG-CD2 3.76Å; P359-W427 HydrophobicContact CG-CE3 4.17Å; P359-W427 HydrophobicContact CG-CG 3.9Å; P359-W427 HydrophobicContact CG-CZ2 4.5Å; P359-C430 HydrophobicContact CB-CB 4.41Å; P359-L434 HydrophobicContact CG-CD2 3.44Å; P359-L434 VanDerWaalsContact CG-CD2 3.44Å |
| 360 | M | 87 | Confident | 80.7 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 178.4 | -71.9 | -61.6 | -54.8 | 0 | 0 | 112.1 | I344 N346 N357 L358 S363 N364 C430 | I344-M360 HydrophobicContact CG2-SD 3.67Å; N346-M360 WeakPolarHBondContact OD1-CE 3.07Å; N357-M360 HydrophobicContact CB-CB 4.07Å; N357-M360 HydrophobicContact CB-CG 4.09Å; N357-M360 WeakPolarHBondContact O-CB 3.15Å; N357-M360 PolarHBondContact O-N 3.17Å; N357-M360 VanDerWaalsContact O-N 3.09Å; N357-M360 WeakPolarHBondContact OD1-CG 3.47Å; N357-M360 PolarHBondContact OD1-N 3.25Å; L358-M360 PolarHBondContact O-N 2.93Å; M360-S363 WeakPolarHBondContact O-CB 3.45Å; M360-S363 PolarHBondContact O-N 2.84Å; M360-N364 PolarHBondContact O-N 2.88Å; M360-C430 HydrophobicContact CG-CB 4.3Å; M360-C430 VanDerWaalsContact SD-SG 3.67Å |
| 361 | H | 85.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.5 | -86 | -100.4 | 0 | 0 | 0 | 111.8 | I310 N357 L358 S363 N364 L365 | I310-H361 HydrophobicContact CG1-CB 4.49Å; N357-H361 PolarHBondContact O-CD2 2.79Å; N357-H361 PolarHBondContact O-N 2.88Å; L358-H361 PolarHBondContact O-N 2.96Å; H361-S363 VanDerWaalsContact C-N 3.29Å; H361-S363 PolarHBondContact O-N 3.29Å; H361-N364 PolarHBondContact O-N 2.95Å; H361-L365 WeakPolarHBondContact O-CB 3.12Å; H361-L365 PolarHBondContact O-N 3.26Å |
| 362 | F | 86.8 | Confident | 82.3 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 174 | 177 | -107.3 | 0 | 0 | 0 | 112.4 | W305 I310 L333 I339 L358 V366 W427 | W305-F362 AromaticContact CH2-CD2 3.62Å; W305-F362 HydrophobicContact CH2-CD2 3.62Å; W305-F362 AromaticContact CH2-CE2 3.29Å; W305-F362 HydrophobicContact CH2-CE2 3.29Å; W305-F362 HydrophobicContact CH2-CZ 4.16Å; W305-F362 HydrophobicContact CZ2-CD2 4.13Å; W305-F362 AromaticContact CZ2-CE2 3.58Å; W305-F362 HydrophobicContact CZ2-CE2 3.58Å; W305-F362 AromaticContact CZ2-CZ 4Å; W305-F362 HydrophobicContact CZ2-CZ 4Å; W305-F362 AromaticContact CZ3-CD2 3.86Å; W305-F362 HydrophobicContact CZ3-CD2 3.86Å; W305-F362 HydrophobicContact CZ3-CE2 4.03Å; I310-F362 HydrophobicContact CD1-CB 4.42Å; I310-F362 HydrophobicContact CD1-CD2 4.5Å; L333-F362 HydrophobicContact CD1-CE2 4.46Å; L333-F362 HydrophobicContact CD1-CZ 4.33Å; I339-F362 HydrophobicContact CD1-CE2 4.21Å; I339-F362 HydrophobicContact CD1-CZ 3.68Å; I339-F362 HydrophobicContact CG1-CE1 4.01Å; I339-F362 HydrophobicContact CG1-CE2 4.48Å; I339-F362 HydrophobicContact CG1-CZ 3.51Å; L358-F362 WeakPolarHBondContact O-CB 3.1Å; L358-F362 PolarHBondContact O-N 2.89Å; F362-V366 HydrophobicContact CD1-CG2 4.28Å; F362-V366 HydrophobicContact CD2-CG2 4.16Å; F362-V366 HydrophobicContact CE1-CG2 3.99Å; F362-V366 HydrophobicContact CE2-CG2 3.82Å; F362-V366 HydrophobicContact CG-CG2 4.4Å; F362-V366 HydrophobicContact CZ-CG2 3.77Å; F362-V366 VanDerWaalsContact O-CB 3.3Å; F362-V366 WeakPolarHBondContact O-CB 3.5Å; F362-V366 WeakPolarHBondContact O-CG2 3.37Å; F362-V366 PolarHBondContact O-N 2.9Å; F362-W427 HydrophobicContact CB-CZ2 3.92Å; F362-W427 AromaticContact CD1-CZ2 3.68Å; F362-W427 HydrophobicContact CD1-CZ2 3.68Å; F362-W427 HydrophobicContact CE1-CZ2 4.34Å; F362-W427 AromaticContact CG-CZ2 3.9Å; F362-W427 HydrophobicContact CG-CZ2 3.9Å |
| 363 | S | 84.3 | Confident | 82.3 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.4 | -165.1 | 0 | 0 | 0 | 0 | 112.9 | P359 M360 H361 G367 | P359-S363 WeakPolarHBondContact O-CB 3.21Å; P359-S363 PolarHBondContact O-N 2.8Å; M360-S363 WeakPolarHBondContact O-CB 3.45Å; M360-S363 PolarHBondContact O-N 2.84Å; H361-S363 VanDerWaalsContact C-N 3.29Å; H361-S363 PolarHBondContact O-N 3.29Å; S363-G367 PolarHBondContact O-N 2.82Å |
| 364 | N | 84.6 | Confident | 82 | Confident | 79 Ų | 79 | 37.6 Ų | 37.6 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.6 | -48.9 | 178 | -69 | -15.2 | 0 | 0 | 0 | 110.8 | M360 H361 V366 G367 E368 | M360-N364 PolarHBondContact O-N 2.88Å; H361-N364 PolarHBondContact O-N 2.95Å; N364-V366 PolarHBondContact O-N 3.11Å; N364-G367 CarbonylContact O-C 3.55Å; N364-G367 WeakPolarHBondContact O-CA 3.38Å; N364-G367 PolarHBondContact O-N 2.81Å; N364-E368 PolarHBondContact O-N 2.75Å |
| 365 | L | 83.5 | Confident | 81.1 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.4 | -50.7 | 173.8 | 171.7 | 59.5 | 0 | 0 | 0 | 112.3 | I310 N314 L317 P318 H361 G367 E368 I369 | I310-L365 HydrophobicContact CD1-CD2 4.12Å; N314-L365 WeakPolarHBondContact OD1-CD2 3.33Å; L317-L365 HydrophobicContact CB-CD1 4.23Å; L317-L365 HydrophobicContact CD1-CD2 4.22Å; P318-L365 HydrophobicContact CG-CD1 3.58Å; H361-L365 WeakPolarHBondContact O-CB 3.12Å; H361-L365 PolarHBondContact O-N 3.26Å; L365-G367 PolarHBondContact O-N 3.18Å; L365-E368 WeakPolarHBondContact O-CB 3.14Å; L365-E368 PolarHBondContact O-N 2.96Å; L365-E368 VanDerWaalsContact O-N 3.09Å; L365-I369 HydrophobicContact CD1-CD1 3.67Å; L365-I369 HydrophobicContact CD1-CG1 4.12Å; L365-I369 HydrophobicContact CG-CD1 3.86Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.48Å; L365-I369 PolarHBondContact O-N 3.44Å |
| 366 | V | 80.7 | Confident | 80.5 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 175 | 164.9 | 0 | 0 | 0 | 0 | 111.6 | I339 F362 N364 K370 | I339-V366 HydrophobicContact CD1-CG2 3.75Å; I339-V366 HydrophobicContact CG1-CG1 4.49Å; I339-V366 HydrophobicContact CG1-CG2 3.87Å; I339-V366 HydrophobicContact CG2-CG1 3.83Å; F362-V366 HydrophobicContact CD1-CG2 4.28Å; F362-V366 HydrophobicContact CD2-CG2 4.16Å; F362-V366 HydrophobicContact CE1-CG2 3.99Å; F362-V366 HydrophobicContact CE2-CG2 3.82Å; F362-V366 HydrophobicContact CG-CG2 4.4Å; F362-V366 HydrophobicContact CZ-CG2 3.77Å; F362-V366 VanDerWaalsContact O-CB 3.3Å; F362-V366 WeakPolarHBondContact O-CB 3.5Å; F362-V366 WeakPolarHBondContact O-CG2 3.37Å; F362-V366 PolarHBondContact O-N 2.9Å; N364-V366 PolarHBondContact O-N 3.11Å; V366-K370 HydrophobicContact CG1-CD 4.08Å; V366-K370 WeakPolarHBondContact O-CB 3.47Å; V366-K370 WeakPolarHBondContact O-CD 3.28Å; V366-K370 VanDerWaalsContact O-CG 3.24Å; V366-K370 WeakPolarHBondContact O-CG 3.47Å; V366-K370 PolarHBondContact O-N 3.02Å; V366-K370 VanDerWaalsContact O-N 3.13Å |
| 367 | G | 80.5 | Confident | 80.3 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 19% | 0.186 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S363 N364 L365 R371 | S363-G367 PolarHBondContact O-N 2.82Å; N364-G367 CarbonylContact O-C 3.55Å; N364-G367 WeakPolarHBondContact O-CA 3.38Å; N364-G367 PolarHBondContact O-N 2.81Å; L365-G367 PolarHBondContact O-N 3.18Å; G367-R371 VanDerWaalsContact C-CZ 3.44Å; G367-R371 WeakPolarHBondContact O-CB 3.45Å; G367-R371 VanDerWaalsContact O-CG 3.27Å; G367-R371 WeakPolarHBondContact O-CG 3.42Å; G367-R371 PolarHBondContact O-N 3.04Å; G367-R371 PolarHBondContact O-NE 3.38Å |
| 368 | E | 80.3 | Confident | 80 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.8 | -50.1 | 177 | -74.2 | 167.2 | -161.6 | 0 | 0 | 111.7 | N364 L365 K370 R371 S372 | N364-E368 PolarHBondContact O-N 2.75Å; L365-E368 WeakPolarHBondContact O-CB 3.14Å; L365-E368 PolarHBondContact O-N 2.96Å; L365-E368 VanDerWaalsContact O-N 3.09Å; E368-K370 PolarHBondContact O-N 2.97Å; E368-R371 WeakPolarHBondContact O-CA 3.43Å; E368-R371 PolarHBondContact O-N 3.39Å; E368-S372 PolarHBondContact O-N 3.04Å; E368-S372 PolarHBondContact O-OG 3Å; E368-S372 VanDerWaalsContact O-OG 3.05Å |
| 369 | I | 77.3 | Confident | 79.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.4 | -34.6 | 176.6 | -63.8 | 167.7 | 0 | 0 | 0 | 111.6 | L317 F321 L365 S372 T374 L376 | L317-I369 HydrophobicContact CB-CD1 3.94Å; L317-I369 HydrophobicContact CD1-CD1 4.43Å; F321-I369 HydrophobicContact CD2-CB 4.48Å; F321-I369 HydrophobicContact CD2-CD1 3.89Å; F321-I369 HydrophobicContact CD2-CG1 3.89Å; F321-I369 HydrophobicContact CD2-CG2 3.77Å; F321-I369 HydrophobicContact CE2-CD1 3.89Å; F321-I369 HydrophobicContact CE2-CG1 4.4Å; F321-I369 HydrophobicContact CE2-CG2 4.26Å; F321-I369 HydrophobicContact CG-CG2 4.26Å; L365-I369 HydrophobicContact CD1-CD1 3.67Å; L365-I369 HydrophobicContact CD1-CG1 4.12Å; L365-I369 HydrophobicContact CG-CD1 3.86Å; L365-I369 VanDerWaalsContact O-CG1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.48Å; L365-I369 PolarHBondContact O-N 3.44Å; I369-S372 PolarHBondContact O-OG 3.41Å; I369-T374 VanDerWaalsContact CG2-OG1 3.24Å; I369-T374 WeakPolarHBondContact CG2-OG1 3.31Å; I369-T374 VanDerWaalsContact O-CG2 3.26Å; I369-T374 WeakPolarHBondContact O-CG2 3.45Å; I369-T374 PolarHBondContact O-OG1 3.36Å; I369-L376 HydrophobicContact CG2-CB 4.44Å; I369-L376 HydrophobicContact CG2-CD2 3.74Å |
| 370 | K | 76.8 | Confident | 80 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 47% | 0.47 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.7 | -37.2 | 172.7 | -73.5 | 171.7 | -178.2 | 175.5 | 0 | 112.9 | I339 V366 E368 G373 | I339-K370 PolarHBondContact O-NZ 2.99Å; V366-K370 HydrophobicContact CG1-CD 4.08Å; V366-K370 WeakPolarHBondContact O-CB 3.47Å; V366-K370 WeakPolarHBondContact O-CD 3.28Å; V366-K370 VanDerWaalsContact O-CG 3.24Å; V366-K370 WeakPolarHBondContact O-CG 3.47Å; V366-K370 PolarHBondContact O-N 3.02Å; V366-K370 VanDerWaalsContact O-N 3.13Å; E368-K370 PolarHBondContact O-N 2.97Å; K370-G373 PolarHBondContact O-N 3.28Å |
| 371 | R | 76.8 | Confident | 80.2 | Confident | 175 Ų | 175 | 54.5 Ų | 54.5 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.3 | -29.2 | 178.5 | -81.7 | 178.7 | -112.2 | 115 | 0.3 | 113.2 | G367 E368 G373 | G367-R371 VanDerWaalsContact C-CZ 3.44Å; G367-R371 WeakPolarHBondContact O-CB 3.45Å; G367-R371 VanDerWaalsContact O-CG 3.27Å; G367-R371 WeakPolarHBondContact O-CG 3.42Å; G367-R371 PolarHBondContact O-N 3.04Å; G367-R371 PolarHBondContact O-NE 3.38Å; E368-R371 WeakPolarHBondContact O-CA 3.43Å; E368-R371 PolarHBondContact O-N 3.39Å; R371-G373 PolarHBondContact O-N 3.3Å |
| 372 | S | 72.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.5 | 174.4 | 43 | 0 | 0 | 0 | 0 | 114.6 | P323 E368 I369 T374 | P323-S372 WeakPolarHBondContact CG-O 3.38Å; E368-S372 PolarHBondContact O-N 3.04Å; E368-S372 PolarHBondContact O-OG 3Å; E368-S372 VanDerWaalsContact O-OG 3.05Å; I369-S372 PolarHBondContact O-OG 3.41Å; S372-T374 WeakPolarHBondContact O-CG2 3.41Å; S372-T374 WeakPolarHBondContact OG-CG2 3.48Å |
| 373 | G | 69.5 | Low | 80.5 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 34.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K370 R371 | K370-G373 PolarHBondContact O-N 3.28Å; R371-G373 PolarHBondContact O-N 3.3Å |
| 374 | T | 67.4 | Low | 80.4 | Confident | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | trans | -96.8 | 140.2 | -158.8 | 73.5 | 0 | 0 | 0 | 0 | 114 | F321 I369 S372 L376 | F321-T374 HydrophobicContact CB-CG2 3.8Å; F321-T374 WeakPolarHBondContact O-CB 3.47Å; F321-T374 WeakPolarHBondContact O-CG2 3.48Å; I369-T374 VanDerWaalsContact CG2-OG1 3.24Å; I369-T374 WeakPolarHBondContact CG2-OG1 3.31Å; I369-T374 VanDerWaalsContact O-CG2 3.26Å; I369-T374 WeakPolarHBondContact O-CG2 3.45Å; I369-T374 PolarHBondContact O-OG1 3.36Å; S372-T374 WeakPolarHBondContact O-CG2 3.41Å; S372-T374 WeakPolarHBondContact OG-CG2 3.48Å; T374-L376 VanDerWaalsContact C-N 3.25Å; T374-L376 PolarHBondContact O-N 2.9Å | ||
| 375 | N | 67.4 | Low | 80.5 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | trans | -84 | 59.8 | -179 | -70.6 | -35.5 | 0 | 0 | 0 | 112.1 | S328 L329 | S328-N375 WeakPolarHBondContact CA-O 3.24Å; S328-N375 WeakPolarHBondContact CB-O 3.27Å; L329-N375 PolarHBondContact N-O 3.43Å | ||
| 376 | L | 74.9 | Confident | 80.8 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.8 | -179.2 | 173.4 | 53.5 | 0 | 0 | 0 | 112.6 | F321 L329 C331 I369 T374 V378 | F321-L376 HydrophobicContact CD1-CD1 4.43Å; F321-L376 HydrophobicContact CE1-CB 4.25Å; F321-L376 HydrophobicContact CE1-CD1 3.42Å; F321-L376 VanDerWaalsContact CE1-CD1 3.42Å; F321-L376 HydrophobicContact CE1-CD2 4.26Å; F321-L376 HydrophobicContact CE1-CG 4.16Å; F321-L376 HydrophobicContact CE2-CD1 4.35Å; F321-L376 HydrophobicContact CE2-CD2 3.88Å; F321-L376 HydrophobicContact CZ-CD1 3.4Å; F321-L376 HydrophobicContact CZ-CD2 3.76Å; F321-L376 HydrophobicContact CZ-CG 4.08Å; L329-L376 VanDerWaalsContact O-CD1 3.24Å; L329-L376 WeakPolarHBondContact O-CD1 3.31Å; C331-L376 HydrophobicContact CB-CD1 3.42Å; C331-L376 VanDerWaalsContact CB-CD1 3.42Å; C331-L376 HydrophobicContact CB-CG 4.49Å; I369-L376 HydrophobicContact CG2-CB 4.44Å; I369-L376 HydrophobicContact CG2-CD2 3.74Å; T374-L376 VanDerWaalsContact C-N 3.25Å; T374-L376 PolarHBondContact O-N 2.9Å; L376-V378 HydrophobicContact CD2-CG2 3.92Å; L376-V378 HydrophobicContact CG-CG2 3.79Å; L376-V378 PolarHBondContact O-N 2.98Å |
| 377 | M | 82.6 | Confident | 80.8 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 103 | 167.9 | -175.5 | 164.1 | 70.1 | 0 | 0 | 110.3 | L329 L330 C331 | L329-M377 PolarHBondContact O-N 3.22Å; L330-M377 WeakPolarHBondContact CA-O 3.47Å; L330-M377 HydrophobicContact CB-CE 4.26Å; L330-M377 HydrophobicContact CD1-CB 4.36Å; L330-M377 HydrophobicContact CD1-CE 3.73Å; L330-M377 HydrophobicContact CD1-CG 4.12Å; L330-M377 WeakPolarHBondContact CD1-O 3.25Å; L330-M377 HydrophobicContact CD2-CE 4.04Å; L330-M377 HydrophobicContact CG-CE 4.22Å; C331-M377 PolarHBondContact N-O 3.4Å |
| 378 | V | 84.1 | Confident | 80.8 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.5 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | L333 I339 L376 | L333-V378 HydrophobicContact CD1-CG1 3.74Å; L333-V378 HydrophobicContact CG-CG1 4.36Å; I339-V378 HydrophobicContact CB-CG1 4.48Å; I339-V378 HydrophobicContact CB-CG2 4.48Å; I339-V378 HydrophobicContact CD1-CG1 3.93Å; I339-V378 HydrophobicContact CD1-CG2 3.79Å; I339-V378 HydrophobicContact CG1-CG1 4.43Å; I339-V378 HydrophobicContact CG2-CG2 4.26Å; L376-V378 HydrophobicContact CD2-CG2 3.92Å; L376-V378 HydrophobicContact CG-CG2 3.79Å; L376-V378 PolarHBondContact O-N 2.98Å |
| 379 | Y | 88 | Confident | 81 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.1 | 172.1 | -169.8 | -88.8 | 0 | 0 | 0 | 112.4 | C331 L332 L333 V381 L394 | C331-Y379 PolarHBondContact O-N 3.18Å; L332-Y379 HydrophobicContact CD2-CD1 4.34Å; L332-Y379 HydrophobicContact CD2-CG 4.44Å; L333-Y379 PolarHBondContact N-O 3.01Å; Y379-V381 HydrophobicContact CD1-CG2 4.07Å; Y379-V381 PolarHBondContact O-N 3.04Å; Y379-L394 HydrophobicContact CD1-CD2 3.83Å; Y379-L394 HydrophobicContact CE1-CD1 4.37Å; Y379-L394 HydrophobicContact CE1-CD2 3.88Å; Y379-L394 HydrophobicContact CE2-CD1 4.43Å; Y379-L394 HydrophobicContact CG-CD2 4.42Å |
| 380 | P | 89 | Confident | 81.5 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 111.3 | 172.8 | 28.5 | -33.2 | 0 | 0 | 0 | 110.8 | P337 T382 | P337-P380 HydrophobicContact CG-CB 3.72Å; P380-T382 PolarHBondContact O-N 2.88Å |
| 381 | V | 91.2 | Very high | 82.2 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | trans | -81.7 | 121.6 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | L332 L333 P335 Y379 L407 P409 V459 | L332-V381 HydrophobicContact CB-CG2 3.76Å; L332-V381 HydrophobicContact CD2-CG2 4.37Å; L333-V381 PolarHBondContact O-N 3.1Å; P335-V381 WeakPolarHBondContact CD-O 3.36Å; Y379-V381 HydrophobicContact CD1-CG2 4.07Å; Y379-V381 PolarHBondContact O-N 3.04Å; V381-L407 HydrophobicContact CG1-CD2 4.43Å; V381-P409 HydrophobicContact CG1-CB 3.81Å; V381-V459 HydrophobicContact CB-CG1 4.31Å; V381-V459 HydrophobicContact CB-CG2 4.01Å; V381-V459 HydrophobicContact CG1-CG1 3.69Å; V381-V459 HydrophobicContact CG1-CG2 3.96Å; V381-V459 WeakPolarHBondContact O-CG2 3.35Å | ||
| 382 | T | 88.9 | Confident | 82.8 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | trans | -138.7 | 157.8 | 166 | 60.5 | 0 | 0 | 0 | 0 | 108.5 | P335 P380 P409 | P335-T382 HydrophobicContact CG-CG2 3.83Å; P380-T382 PolarHBondContact O-N 2.88Å; T382-P409 WeakPolarHBondContact O-CG 3.27Å | ||
| 383 | R | 90.1 | Very high | 83.8 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.019 | 35% | 0.346 | C | S | . | . | trans | -63.1 | -43.9 | 179.4 | -169.4 | -177.6 | -158.9 | -72 | -1.7 | 113 | K386 L387 V389 P391 L410 P412 S492 | R383-K386 PolarHBondContact NH1-O 3.05Å; R383-L387 PolarHBondContact NH2-O 3.24Å; R383-V389 VanDerWaalsContact CZ-O 3.25Å; R383-V389 PolarHBondContact NH1-O 2.75Å; R383-V389 PolarHBondContact NH2-O 3.45Å; R383-P391 HydrophobicContact CG-CB 3.88Å; R383-L410 WeakPolarHBondContact CD-O 3.45Å; R383-L410 PolarHBondContact NE-O 3.35Å; R383-L410 VanDerWaalsContact NE-O 3.16Å; R383-P412 WeakPolarHBondContact CB-O 3.5Å; R383-P412 PolarHBondContact N-O 2.78Å; R383-S492 PolarHBondContact NE-OG 3.32Å; R383-S492 PolarHBondContact NH2-OG 3Å | ||
| 384 | G | 82.3 | Confident | 85 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | 66.4 | 133.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 385 | G | 88 | Confident | 86.3 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 75 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D414 | G385-D414 WeakPolarHBondContact CA-OD2 3.42Å; G385-D414 PolarHBondContact N-OD1 3.21Å; G385-D414 PolarHBondContact N-OD2 2.87Å; G385-D414 PolarHBondContact O-N 3.44Å |
| 386 | K | 88 | Confident | 87.5 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | trans | -75.5 | 154.1 | 177.9 | -59.6 | -165.5 | 173.8 | -165.8 | 0 | 112.1 | R383 S388 V389 D415 | R383-K386 PolarHBondContact NH1-O 3.05Å; K386-S388 PolarHBondContact O-N 2.85Å; K386-V389 HydrophobicContact CB-CG2 4.33Å; K386-V389 WeakPolarHBondContact O-CB 3.38Å; K386-V389 PolarHBondContact O-N 2.81Å; K386-D415 WeakPolarHBondContact CA-OD2 3.44Å; K386-D415 WeakPolarHBondContact CB-OD2 3.14Å; K386-D415 WeakPolarHBondContact CD-OD1 3.15Å; K386-D415 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 387 | L | 82.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.8 | -179.6 | -86.9 | 67.6 | 0 | 0 | 0 | 113.3 | R383 V389 D415 | R383-L387 PolarHBondContact NH2-O 3.24Å; L387-V389 VanDerWaalsContact C-N 3.26Å; L387-V389 PolarHBondContact O-N 3.17Å; L387-D415 PolarHBondContact N-OD2 3.09Å |
| 388 | S | 79.2 | Confident | 88.9 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -0.1 | 177.5 | 67.4 | 0 | 0 | 0 | 0 | 115.3 | K386 | K386-S388 PolarHBondContact O-N 2.85Š|
| 389 | V | 85.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -105.6 | 151.3 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | R383 K386 L387 A495 | R383-V389 VanDerWaalsContact CZ-O 3.25Å; R383-V389 PolarHBondContact NH1-O 2.75Å; R383-V389 PolarHBondContact NH2-O 3.45Å; K386-V389 HydrophobicContact CB-CG2 4.33Å; K386-V389 WeakPolarHBondContact O-CB 3.38Å; K386-V389 PolarHBondContact O-N 2.81Å; L387-V389 VanDerWaalsContact C-N 3.26Å; L387-V389 PolarHBondContact O-N 3.17Å; V389-A495 WeakPolarHBondContact O-CB 3.5Å |
| 390 | V | 88.4 | Confident | 89.2 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 123.3 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | L496 F500 | V390-L496 HydrophobicContact CG1-CD2 4.31Å; V390-F500 HydrophobicContact CG1-CE2 3.88Å; V390-F500 HydrophobicContact CG1-CZ 4.46Å |
| 391 | P | 90.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 152.1 | 179.1 | 30.6 | -33.3 | 0 | 0 | 0 | 111 | R383 F408 P409 L496 | R383-P391 HydrophobicContact CG-CB 3.88Å; P391-F408 HydrophobicContact CG-CB 4.48Å; P391-F408 HydrophobicContact CG-CD1 4.41Å; P391-P409 WeakPolarHBondContact CB-O 3.44Å; P391-P409 WeakPolarHBondContact CG-O 3.31Å; P391-L496 HydrophobicContact CG-CD1 4.31Å; P391-L496 HydrophobicContact CG-CD2 3.89Å; P391-L496 HydrophobicContact CG-CG 4.15Å |
| 392 | K | 89.6 | Confident | 88.8 | Confident | 155 Ų | 155 | 64.7 Ų | 64.7 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 128 | 175.2 | -174.1 | -171.3 | 173.4 | -170.5 | 0 | 109.3 | ||
| 393 | P | 93.2 | Very high | 89 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.7 | 172.6 | 25.1 | -31.2 | 0 | 0 | 0 | 111.6 | E406 L407 F408 | P393-E406 HydrophobicContact CB-CB 4.31Å; P393-L407 WeakPolarHBondContact CA-O 3.28Å; P393-F408 HydrophobicContact CB-CD1 4.01Å; P393-F408 HydrophobicContact CB-CD2 4.46Å; P393-F408 HydrophobicContact CB-CE1 3.64Å; P393-F408 HydrophobicContact CB-CE2 4.11Å; P393-F408 HydrophobicContact CB-CG 4.42Å; P393-F408 HydrophobicContact CB-CZ 3.7Å; P393-F408 HydrophobicContact CG-CE1 3.85Å; P393-F408 HydrophobicContact CG-CZ 4.04Å |
| 394 | L | 94.1 | Very high | 89.2 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.199 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.7 | 161.5 | 179.9 | 64.1 | 0 | 0 | 0 | 107.9 | L332 Y379 L396 E406 L407 | L332-L394 HydrophobicContact CD2-CD2 3.72Å; Y379-L394 HydrophobicContact CD1-CD2 3.83Å; Y379-L394 HydrophobicContact CE1-CD1 4.37Å; Y379-L394 HydrophobicContact CE1-CD2 3.88Å; Y379-L394 HydrophobicContact CE2-CD1 4.43Å; Y379-L394 HydrophobicContact CG-CD2 4.42Å; L394-L396 HydrophobicContact CD2-CD2 3.81Å; L394-L396 HydrophobicContact CG-CD2 3.89Å; L394-L396 PolarHBondContact O-N 2.92Å; L394-E406 WeakPolarHBondContact O-CA 3.44Å; L394-L407 PolarHBondContact N-O 3.27Å; L394-L407 PolarHBondContact O-N 3.28Å |
| 395 | Q | 94.5 | Very high | 89.8 | Confident | 99 Ų | 99 | 60 Ų | 60 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.1 | 175 | -170.2 | 174.6 | 9 | 0 | 0 | 109.1 | ||
| 396 | L | 94.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -34.5 | -176.3 | -62.1 | -172.1 | 0 | 0 | 0 | 112.7 | M275 L330 L332 L394 L405 L407 | M275-L396 HydrophobicContact CE-CD1 3.9Å; M275-L396 HydrophobicContact SD-CD1 3.91Å; L330-L396 HydrophobicContact CD2-CD2 4.14Å; L332-L396 HydrophobicContact CD1-CD1 4.13Å; L332-L396 HydrophobicContact CD1-CD2 3.68Å; L332-L396 HydrophobicContact CD2-CD2 4.34Å; L394-L396 HydrophobicContact CD2-CD2 3.81Å; L394-L396 HydrophobicContact CG-CD2 3.89Å; L394-L396 PolarHBondContact O-N 2.92Å; L396-L405 HydrophobicContact CB-CB 4.38Å; L396-L405 HydrophobicContact CB-CD2 4.15Å; L396-L405 HydrophobicContact CB-CG 4.35Å; L396-L405 HydrophobicContact CD1-CD2 4.11Å; L396-L405 HydrophobicContact CD1-CG 4.47Å; L396-L405 PolarHBondContact N-O 3.15Å; L396-L407 HydrophobicContact CD1-CB 3.88Å; L396-L407 HydrophobicContact CD1-CD1 4.19Å; L396-L407 HydrophobicContact CD2-CB 4.46Å; L396-L407 HydrophobicContact CG-CB 4.1Å |
| 397 | F | 93.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.5 | -177.5 | 178.9 | -103.1 | 0 | 0 | 0 | 111.1 | F272 Y273 K399 C404 L405 W465 | F272-F397 HydrophobicContact CB-CZ 4.26Å; Y273-F397 HydrophobicContact CD2-CB 3.62Å; Y273-F397 HydrophobicContact CD2-CD1 4.48Å; Y273-F397 AromaticContact CD2-CD2 3.37Å; Y273-F397 HydrophobicContact CD2-CD2 3.37Å; Y273-F397 HydrophobicContact CD2-CE2 4.08Å; Y273-F397 AromaticContact CD2-CG 3.59Å; Y273-F397 HydrophobicContact CD2-CG 3.59Å; Y273-F397 HydrophobicContact CE2-CB 3.69Å; Y273-F397 AromaticContact CE2-CD2 4Å; Y273-F397 HydrophobicContact CE2-CD2 4Å; Y273-F397 HydrophobicContact CE2-CG 4.15Å; Y273-F397 HydrophobicContact CG-CB 4.08Å; Y273-F397 HydrophobicContact CG-CD2 4.13Å; Y273-F397 HydrophobicContact CG-CG 4.02Å; F397-K399 HydrophobicContact CE1-CB 3.75Å; F397-K399 HydrophobicContact CE2-CB 4.48Å; F397-K399 HydrophobicContact CZ-CB 3.6Å; F397-K399 HydrophobicContact CZ-CD 4.2Å; F397-C404 CarbonylContact O-C 3.55Å; F397-C404 VanDerWaalsContact O-CA 3.24Å; F397-C404 WeakPolarHBondContact O-CA 3.35Å; F397-C404 WeakPolarHBondContact O-CB 3.26Å; F397-L405 HydrophobicContact CB-CB 3.98Å; F397-L405 PolarHBondContact N-O 2.97Å; F397-L405 PolarHBondContact O-N 3.15Å; F397-W465 HydrophobicContact CD1-CZ3 4.06Å; F397-W465 HydrophobicContact CE1-CH2 4.45Å; F397-W465 HydrophobicContact CE1-CZ3 4.29Å |
| 398 | Q | 93.2 | Very high | 91.4 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 133.2 | 165.1 | 178.8 | 173.4 | 9.7 | 0 | 0 | 109.6 | G403 C404 | Q398-G403 WeakPolarHBondContact CA-O 3.5Å; Q398-C404 HydrophobicContact CB-CB 3.99Å; Q398-C404 HydrophobicContact CG-CB 4.09Å |
| 399 | K | 90.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 119.2 | 172.9 | 178.9 | 175.3 | 179.9 | 178.7 | 0 | 108.5 | F272 F397 G401 Q402 G403 | F272-K399 HydrophobicContact CD2-CD 3.88Å; F272-K399 HydrophobicContact CE2-CD 4.42Å; F272-K399 HydrophobicContact CG-CD 4.29Å; F272-K399 VanDerWaalsContact CG-NZ 3.25Å; F272-K399 VanDerWaalsContact CZ-NZ 3.31Å; F397-K399 HydrophobicContact CE1-CB 3.75Å; F397-K399 HydrophobicContact CE2-CB 4.48Å; F397-K399 HydrophobicContact CZ-CB 3.6Å; F397-K399 HydrophobicContact CZ-CD 4.2Å; K399-G401 PolarHBondContact O-N 2.97Å; K399-Q402 HydrophobicContact CB-CB 4.07Å; K399-Q402 HydrophobicContact CD-CB 4.18Å; K399-Q402 HydrophobicContact CG-CB 4.06Å; K399-Q402 PolarHBondContact O-N 3.28Å; K399-G403 PolarHBondContact N-O 2.79Å; K399-G403 PolarHBondContact O-N 3.12Å; K399-G403 VanDerWaalsContact O-N 3.08Å |
| 400 | V | 88.1 | Confident | 92.6 | Very high | 140 Ų | 140 | 45.6 Ų | 45.6 | 85% | 0.848 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 132.7 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | Q402 | V400-Q402 VanDerWaalsContact C-N 3.26Å; V400-Q402 PolarHBondContact O-N 3.15Å |
| 401 | G | 87.3 | Confident | 92.9 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -17 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K399 | K399-G401 PolarHBondContact O-N 2.97Š|
| 402 | Q | 84.8 | Confident | 93 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -54.4 | -178.3 | -166.4 | 69 | 58.5 | 0 | 0 | 113.1 | F272 K399 V400 W465 T468 | F272-Q402 HydrophobicContact CD2-CG 4.32Å; F272-Q402 HydrophobicContact CE2-CG 4.46Å; K399-Q402 HydrophobicContact CB-CB 4.07Å; K399-Q402 HydrophobicContact CD-CB 4.18Å; K399-Q402 HydrophobicContact CG-CB 4.06Å; K399-Q402 PolarHBondContact O-N 3.28Å; V400-Q402 VanDerWaalsContact C-N 3.26Å; V400-Q402 PolarHBondContact O-N 3.15Å; Q402-W465 HydrophobicContact CG-CH2 4.14Å; Q402-W465 HydrophobicContact CG-CZ2 4.33Å; Q402-T468 VanDerWaalsContact C-OG1 3.23Å; Q402-T468 PolarHBondContact N-OG1 3.28Å; Q402-T468 PolarHBondContact O-N 3.15Å |
| 403 | G | 91.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -168.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q398 K399 R466 T468 | Q398-G403 WeakPolarHBondContact CA-O 3.5Å; K399-G403 PolarHBondContact N-O 2.79Å; K399-G403 PolarHBondContact O-N 3.12Å; K399-G403 VanDerWaalsContact O-N 3.08Å; G403-R466 CarbonylContact C-O 3.49Å; G403-R466 WeakPolarHBondContact CA-O 3.1Å; G403-T468 PolarHBondContact N-OG1 3.37Å; G403-T468 VanDerWaalsContact N-OG1 3.09Å |
| 404 | C | 94.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.1 | 173.5 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | F397 Q398 W465 R466 | F397-C404 CarbonylContact O-C 3.55Å; F397-C404 VanDerWaalsContact O-CA 3.24Å; F397-C404 WeakPolarHBondContact O-CA 3.35Å; F397-C404 WeakPolarHBondContact O-CB 3.26Å; Q398-C404 HydrophobicContact CB-CB 3.99Å; Q398-C404 HydrophobicContact CG-CB 4.09Å; C404-W465 VanDerWaalsContact O-CE3 3.3Å; C404-R466 PolarHBondContact N-O 2.72Å; C404-R466 PolarHBondContact O-N 3.19Å; C404-R466 VanDerWaalsContact SG-CZ 3.52Å; C404-R466 PolarHBondContact SG-NH1 3.07Å |
| 405 | L | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128 | 177.7 | -168.8 | 69.1 | 0 | 0 | 0 | 109.5 | L270 Y273 M275 L396 F397 V463 I464 W465 | L270-L405 HydrophobicContact CD1-CD1 3.69Å; L270-L405 HydrophobicContact CD1-CD2 3.98Å; L270-L405 HydrophobicContact CD1-CG 4.34Å; Y273-L405 HydrophobicContact CD1-CD2 3.57Å; Y273-L405 HydrophobicContact CE1-CD2 3.34Å; M275-L405 HydrophobicContact SD-CD2 4.45Å; L396-L405 HydrophobicContact CB-CB 4.38Å; L396-L405 HydrophobicContact CB-CD2 4.15Å; L396-L405 HydrophobicContact CB-CG 4.35Å; L396-L405 HydrophobicContact CD1-CD2 4.11Å; L396-L405 HydrophobicContact CD1-CG 4.47Å; L396-L405 PolarHBondContact N-O 3.15Å; F397-L405 HydrophobicContact CB-CB 3.98Å; F397-L405 PolarHBondContact N-O 2.97Å; F397-L405 PolarHBondContact O-N 3.15Å; L405-V463 HydrophobicContact CD1-CG1 3.52Å; L405-V463 HydrophobicContact CD2-CG1 4.39Å; L405-V463 HydrophobicContact CG-CG1 3.99Å; L405-I464 WeakPolarHBondContact CA-O 3.44Å; L405-W465 HydrophobicContact CB-CE3 4.23Å; L405-W465 HydrophobicContact CD1-CB 4.02Å; L405-W465 HydrophobicContact CD1-CE3 4.3Å |
| 406 | E | 96.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.9 | 179.4 | -68 | 172.4 | 140.4 | 0 | 0 | 110.7 | P393 L394 F408 V463 I464 R466 | P393-E406 HydrophobicContact CB-CB 4.31Å; L394-E406 WeakPolarHBondContact O-CA 3.44Å; E406-F408 HydrophobicContact CB-CE2 4.09Å; E406-V463 CarbonylContact O-C 3.59Å; E406-V463 WeakPolarHBondContact O-CA 3.19Å; E406-I464 PolarHBondContact N-O 3.26Å; E406-I464 PolarHBondContact O-N 3.01Å; E406-R466 IonicContact OE1-CZ 3.68Å; E406-R466 IonicContact OE1-NH2 3.2Å; E406-R466 PolarHBondContact OE1-NH2 3.41Å; E406-R466 IonicContact OE2-CZ 2.88Å; E406-R466 VanDerWaalsContact OE2-CZ 3.22Å; E406-R466 IonicContact OE2-NE 3.73Å; E406-R466 PolarHBondContact OE2-NE 3.46Å; E406-R466 IonicContact OE2-NH2 2.81Å; E406-R466 PolarHBondContact OE2-NH2 3.05Å |
| 407 | L | 97.4 | Very high | 92 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.4 | 174.1 | -175.7 | 152.7 | 0 | 0 | 0 | 109.7 | M275 L301 L332 V381 P393 L394 L396 P409 A461 V463 | M275-L407 HydrophobicContact CE-CD1 4.15Å; L301-L407 HydrophobicContact CD1-CD1 4.38Å; L301-L407 HydrophobicContact CD2-CD1 4.04Å; L332-L407 HydrophobicContact CD1-CD1 3.85Å; V381-L407 HydrophobicContact CG1-CD2 4.43Å; P393-L407 WeakPolarHBondContact CA-O 3.28Å; L394-L407 PolarHBondContact N-O 3.27Å; L394-L407 PolarHBondContact O-N 3.28Å; L396-L407 HydrophobicContact CD1-CB 3.88Å; L396-L407 HydrophobicContact CD1-CD1 4.19Å; L396-L407 HydrophobicContact CD2-CB 4.46Å; L396-L407 HydrophobicContact CG-CB 4.1Å; L407-P409 HydrophobicContact CD2-CB 4.36Å; L407-P409 WeakPolarHBondContact O-CD 3.23Å; L407-A461 HydrophobicContact CD1-CB 4.13Å; L407-A461 HydrophobicContact CD2-CB 3.92Å; L407-A461 HydrophobicContact CG-CB 3.94Å; L407-V463 HydrophobicContact CB-CG2 4.16Å; L407-V463 HydrophobicContact CD1-CG2 3.8Å; L407-V463 HydrophobicContact CG-CG2 3.9Å |
| 408 | F | 96.5 | Very high | 92 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 103.9 | 172.6 | -67.9 | -94.8 | 0 | 0 | 0 | 109.2 | P391 P393 E406 A461 L462 I464 L496 F500 | P391-F408 HydrophobicContact CG-CB 4.48Å; P391-F408 HydrophobicContact CG-CD1 4.41Å; P393-F408 HydrophobicContact CB-CD1 4.01Å; P393-F408 HydrophobicContact CB-CD2 4.46Å; P393-F408 HydrophobicContact CB-CE1 3.64Å; P393-F408 HydrophobicContact CB-CE2 4.11Å; P393-F408 HydrophobicContact CB-CG 4.42Å; P393-F408 HydrophobicContact CB-CZ 3.7Å; P393-F408 HydrophobicContact CG-CE1 3.85Å; P393-F408 HydrophobicContact CG-CZ 4.04Å; E406-F408 HydrophobicContact CB-CE2 4.09Å; F408-A461 WeakPolarHBondContact O-CA 3.33Å; F408-L462 HydrophobicContact CB-CB 4.31Å; F408-L462 WeakPolarHBondContact CB-O 3.46Å; F408-L462 PolarHBondContact N-O 2.88Å; F408-L462 PolarHBondContact O-N 3.07Å; F408-I464 HydrophobicContact CD2-CG1 3.78Å; F408-I464 HydrophobicContact CE2-CB 4.38Å; F408-I464 HydrophobicContact CE2-CG1 3.73Å; F408-L496 HydrophobicContact CB-CD1 4.48Å; F408-L496 HydrophobicContact CB-CD2 4.42Å; F408-L496 HydrophobicContact CD1-CD2 3.74Å; F408-L496 HydrophobicContact CE1-CD2 4.29Å; F408-L496 HydrophobicContact CG-CD2 4.24Å; F408-F500 HydrophobicContact CD1-CE2 4.31Å; F408-F500 HydrophobicContact CE1-CE1 4.38Å; F408-F500 AromaticContact CE1-CE2 3.57Å; F408-F500 HydrophobicContact CE1-CE2 3.57Å; F408-F500 AromaticContact CE1-CZ 3.47Å; F408-F500 HydrophobicContact CE1-CZ 3.47Å; F408-F500 VanDerWaalsContact CE1-CZ 3.47Å; F408-F500 HydrophobicContact CZ-CE1 4.14Å; F408-F500 HydrophobicContact CZ-CE2 4.01Å; F408-F500 AromaticContact CZ-CZ 3.67Å; F408-F500 HydrophobicContact CZ-CZ 3.67Å |
| 409 | P | 95.7 | Very high | 92 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.4 | 175.6 | 26.6 | -32.7 | 0 | 0 | 0 | 110.5 | V381 T382 P391 L407 | V381-P409 HydrophobicContact CG1-CB 3.81Å; T382-P409 WeakPolarHBondContact O-CG 3.27Å; P391-P409 WeakPolarHBondContact CB-O 3.44Å; P391-P409 WeakPolarHBondContact CG-O 3.31Å; L407-P409 HydrophobicContact CD2-CB 4.36Å; L407-P409 WeakPolarHBondContact O-CD 3.23Å |
| 410 | L | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -105.2 | -35.8 | -177.8 | -53.3 | 178.3 | 0 | 0 | 0 | 112.3 | R383 S460 L462 L478 I489 S492 L493 L496 | R383-L410 WeakPolarHBondContact CD-O 3.45Å; R383-L410 PolarHBondContact NE-O 3.35Å; R383-L410 VanDerWaalsContact NE-O 3.16Å; L410-S460 WeakPolarHBondContact CA-O 3.33Å; L410-S460 VanDerWaalsContact CB-O 3.29Å; L410-S460 WeakPolarHBondContact CB-O 3.38Å; L410-S460 PolarHBondContact N-O 3.45Å; L410-L462 HydrophobicContact CD1-CB 4.38Å; L410-L462 HydrophobicContact CD2-CB 4.3Å; L410-L478 HydrophobicContact CD1-CD1 3.49Å; L410-L478 VanDerWaalsContact CD1-CD1 3.49Å; L410-I489 HydrophobicContact CD1-CG2 3.9Å; L410-S492 WeakPolarHBondContact CA-OG 3.46Å; L410-S492 WeakPolarHBondContact O-CB 3.31Å; L410-S492 PolarHBondContact O-OG 2.95Å; L410-L493 HydrophobicContact CD1-CD2 3.97Å; L410-L493 HydrophobicContact CD1-CG 4.3Å; L410-L493 HydrophobicContact CD2-CD2 4.09Å; L410-L496 HydrophobicContact CD2-CD1 3.29Å | ||
| 411 | T | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -141.1 | 161.5 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 109.3 | S458 V459 S460 R488 I489 | T411-S458 WeakPolarHBondContact CB-O 3.43Å; T411-S458 PolarHBondContact OG1-O 2.98Å; T411-V459 WeakPolarHBondContact O-CA 3.28Å; T411-S460 PolarHBondContact N-O 3.12Å; T411-S460 PolarHBondContact OG1-N 2.75Å; T411-R488 HydrophobicContact CG2-CB 4.5Å; T411-I489 HydrophobicContact CG2-CD1 3.97Å |
| 412 | P | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | cis | -79.2 | 158.4 | -18.5 | 34.7 | -35 | 0 | 0 | 0 | 111.7 | P335 R383 D416 L420 T457 | P335-P412 HydrophobicContact CG-CG 3.82Å; R383-P412 WeakPolarHBondContact CB-O 3.5Å; R383-P412 PolarHBondContact N-O 2.78Å; P412-D416 VanDerWaalsContact CA-OD2 3.27Å; P412-D416 WeakPolarHBondContact CA-OD2 3.41Å; P412-D416 HydrophobicContact CB-CB 4.2Å; P412-D416 WeakPolarHBondContact CB-OD2 3.32Å; P412-L420 HydrophobicContact CB-CD1 4.24Å; P412-L420 HydrophobicContact CB-CD2 4.36Å; P412-L420 HydrophobicContact CG-CD1 4.24Å; P412-L420 HydrophobicContact CG-CD2 3.95Å; P412-T457 WeakPolarHBondContact CG-O 3.48Å |
| 413 | G | 88.7 | Confident | 92.9 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | trans | -120.9 | -174.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D415 D416 | G413-D415 PolarHBondContact O-N 2.73Å; G413-D415 VanDerWaalsContact O-N 3.17Å; G413-D416 PolarHBondContact N-OD2 3.16Å; G413-D416 WeakPolarHBondContact O-CB 3.33Å; G413-D416 PolarHBondContact O-N 2.96Å | ||
| 414 | D | 88.4 | Confident | 92.9 | Very high | 89 Ų | 89 | 33 Ų | 33 | 48% | 0.476 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -60.7 | -28.7 | -175.1 | -68.1 | 8 | 0 | 0 | 0 | 113 | G385 D416 S417 | G385-D414 WeakPolarHBondContact CA-OD2 3.42Å; G385-D414 PolarHBondContact N-OD1 3.21Å; G385-D414 PolarHBondContact N-OD2 2.87Å; G385-D414 PolarHBondContact O-N 3.44Å; D414-D416 PolarHBondContact O-N 2.86Å; D414-S417 WeakPolarHBondContact O-CB 3.26Å; D414-S417 PolarHBondContact O-N 3.07Å; D414-S417 PolarHBondContact O-OG 2.88Å |
| 415 | D | 87.7 | Confident | 92.8 | Very high | 74 Ų | 74 | 36.3 Ų | 36.3 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -68.3 | -19.9 | 177.9 | -57.7 | -60 | 0 | 0 | 0 | 112.4 | K386 L387 G413 S417 | K386-D415 WeakPolarHBondContact CA-OD2 3.44Å; K386-D415 WeakPolarHBondContact CB-OD2 3.14Å; K386-D415 WeakPolarHBondContact CD-OD1 3.15Å; K386-D415 WeakPolarHBondContact CG-OD1 3.43Å; L387-D415 PolarHBondContact N-OD2 3.09Å; G413-D415 PolarHBondContact O-N 2.73Å; G413-D415 VanDerWaalsContact O-N 3.17Å; D415-S417 VanDerWaalsContact C-N 3.33Å |
| 416 | D | 89.9 | Confident | 92.5 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -90.7 | 9.2 | 176.6 | -48.7 | -56.7 | 0 | 0 | 0 | 112.6 | P412 G413 D414 A418 E419 L420 Y456 R488 | P412-D416 VanDerWaalsContact CA-OD2 3.27Å; P412-D416 WeakPolarHBondContact CA-OD2 3.41Å; P412-D416 HydrophobicContact CB-CB 4.2Å; P412-D416 WeakPolarHBondContact CB-OD2 3.32Å; G413-D416 PolarHBondContact N-OD2 3.16Å; G413-D416 WeakPolarHBondContact O-CB 3.33Å; G413-D416 PolarHBondContact O-N 2.96Å; D414-D416 PolarHBondContact O-N 2.86Å; D416-A418 PolarHBondContact O-N 3.12Å; D416-A418 VanDerWaalsContact O-N 3.11Å; D416-E419 PolarHBondContact O-N 3.28Å; D416-L420 HydrophobicContact CB-CD1 4.36Å; D416-L420 HydrophobicContact CB-CG 4.47Å; D416-L420 WeakPolarHBondContact O-CG 2.9Å; D416-L420 PolarHBondContact O-N 3.17Å; D416-Y456 HydrophobicContact CB-CE1 4.21Å; D416-Y456 WeakPolarHBondContact OD1-CE1 3.47Å; D416-R488 IonicContact OD1-CZ 3.42Å; D416-R488 IonicContact OD1-NE 2.71Å; D416-R488 IonicContact OD1-NH2 3.2Å; D416-R488 PolarHBondContact OD1-NH2 3.03Å; D416-R488 IonicContact OD2-NH2 3.29Å; D416-R488 PolarHBondContact OD2-NH2 3.02Å; D416-R488 VanDerWaalsContact OD2-NH2 3.08Å |
| 417 | S | 90.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 36 Ų | 36 | 42% | 0.42 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5.2 | -170 | 58.8 | 0 | 0 | 0 | 0 | 115.8 | D414 D415 R421 | D414-S417 WeakPolarHBondContact O-CB 3.26Å; D414-S417 PolarHBondContact O-N 3.07Å; D414-S417 PolarHBondContact O-OG 2.88Å; D415-S417 VanDerWaalsContact C-N 3.33Å; S417-R421 PolarHBondContact O-NE 2.78Å; S417-R421 PolarHBondContact O-NH2 3.47Å |
| 418 | A | 92.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 41% | 0.405 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -42.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | D416 R421 K422 | D416-A418 PolarHBondContact O-N 3.12Å; D416-A418 VanDerWaalsContact O-N 3.11Å; A418-R421 PolarHBondContact O-N 2.9Å; A418-K422 PolarHBondContact O-N 3.28Å |
| 419 | E | 93.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.5 | -64.9 | 74.6 | -172.3 | 0 | 0 | 110 | D416 R421 K422 L423 V439 K443 L453 Y456 T457 | D416-E419 PolarHBondContact O-N 3.28Å; E419-R421 VanDerWaalsContact C-N 3.31Å; E419-R421 PolarHBondContact O-N 3.32Å; E419-K422 PolarHBondContact O-N 2.96Å; E419-L423 WeakPolarHBondContact O-CB 3.34Å; E419-L423 PolarHBondContact O-N 3.24Å; E419-V439 HydrophobicContact CG-CG1 3.92Å; E419-V439 HydrophobicContact CG-CG2 4.11Å; E419-K443 IonicContact OE1-NZ 3.52Å; E419-L453 HydrophobicContact CB-CD1 3.95Å; E419-Y456 HydrophobicContact CB-CD1 4.05Å; E419-Y456 HydrophobicContact CB-CE1 4.26Å; E419-Y456 HydrophobicContact CG-CD1 3.99Å; E419-Y456 HydrophobicContact CG-CE1 3.9Å; E419-T457 HydrophobicContact CB-CG2 4.34Å |
| 420 | L | 92 | Very high | 91 | Very high | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -33.9 | 172.7 | -74.8 | 169.5 | 0 | 0 | 0 | 113.9 | P335 P412 D416 L423 N424 T457 | P335-L420 HydrophobicContact CB-CD2 3.54Å; P335-L420 HydrophobicContact CG-CD2 3.95Å; P412-L420 HydrophobicContact CB-CD1 4.24Å; P412-L420 HydrophobicContact CB-CD2 4.36Å; P412-L420 HydrophobicContact CG-CD1 4.24Å; P412-L420 HydrophobicContact CG-CD2 3.95Å; D416-L420 HydrophobicContact CB-CD1 4.36Å; D416-L420 HydrophobicContact CB-CG 4.47Å; D416-L420 WeakPolarHBondContact O-CG 2.9Å; D416-L420 PolarHBondContact O-N 3.17Å; L420-L423 HydrophobicContact CD2-CD2 4.24Å; L420-N424 PolarHBondContact O-N 2.91Å; L420-N424 VanDerWaalsContact O-N 3.12Å; L420-T457 HydrophobicContact CD2-CG2 3.8Å; L420-T457 HydrophobicContact CG-CG2 4.14Å |
| 421 | R | 92.2 | Very high | 90.7 | Very high | 156 Ų | 156 | 43.7 Ų | 43.7 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71.5 | -45.3 | 174.1 | -82.2 | 179.7 | -70.5 | 122 | -2.1 | 111.3 | S417 A418 E419 L423 N424 D425 | S417-R421 PolarHBondContact O-NE 2.78Å; S417-R421 PolarHBondContact O-NH2 3.47Å; A418-R421 PolarHBondContact O-N 2.9Å; E419-R421 VanDerWaalsContact C-N 3.31Å; E419-R421 PolarHBondContact O-N 3.32Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.16Å; R421-N424 PolarHBondContact O-N 3.28Å; R421-D425 VanDerWaalsContact O-CB 3.28Å; R421-D425 WeakPolarHBondContact O-CB 3.37Å; R421-D425 PolarHBondContact O-N 3.1Å |
| 422 | K | 93.9 | Very high | 90.3 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.6 | -172.9 | -176.4 | -178.2 | -56.9 | 0 | 111.3 | A418 E419 D425 D426 T437 L453 | A418-K422 PolarHBondContact O-N 3.28Å; E419-K422 PolarHBondContact O-N 2.96Å; K422-D425 PolarHBondContact O-N 2.92Å; K422-D426 IonicContact NZ-OD2 3.41Å; K422-D426 PolarHBondContact NZ-OD2 3.15Å; K422-D426 WeakPolarHBondContact O-CB 3.47Å; K422-D426 PolarHBondContact O-N 2.96Å; K422-T437 HydrophobicContact CD-CG2 4.19Å; K422-T437 PolarHBondContact NZ-OG1 3.2Å; K422-L453 HydrophobicContact CB-CD2 4.33Å; K422-L453 HydrophobicContact CD-CD2 4.06Å; K422-L453 HydrophobicContact CG-CD2 4.04Å |
| 423 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -53.1 | 176.4 | -180 | 78.3 | 0 | 0 | 0 | 111.7 | P335 P336 E419 L420 R421 D425 D426 W427 L434 L453 L454 T457 | P335-L423 HydrophobicContact CB-CD2 4.09Å; P335-L423 WeakPolarHBondContact O-CD2 3.41Å; P336-L423 HydrophobicContact CB-CD2 4.25Å; P336-L423 VanDerWaalsContact CD-CD2 3.5Å; P336-L423 HydrophobicContact CG-CD2 4.01Å; P336-L423 HydrophobicContact CG-CG 3.95Å; E419-L423 WeakPolarHBondContact O-CB 3.34Å; E419-L423 PolarHBondContact O-N 3.24Å; L420-L423 HydrophobicContact CD2-CD2 4.24Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.16Å; L423-D425 VanDerWaalsContact C-N 3.31Å; L423-D425 PolarHBondContact O-N 3.26Å; L423-D426 PolarHBondContact O-N 3.18Å; L423-W427 WeakPolarHBondContact O-CB 3.45Å; L423-W427 PolarHBondContact O-N 3.1Å; L423-L434 HydrophobicContact CD1-CD1 3.9Å; L423-L453 HydrophobicContact CB-CD2 4.24Å; L423-L453 HydrophobicContact CB-CG 4.39Å; L423-L453 HydrophobicContact CD1-CD2 4.4Å; L423-L453 HydrophobicContact CD1-CG 4.17Å; L423-L454 HydrophobicContact CD1-CD2 3.86Å; L423-L454 HydrophobicContact CD1-CG 4.46Å; L423-T457 HydrophobicContact CB-CG2 4.45Å; L423-T457 HydrophobicContact CD2-CG2 3.96Å; L423-T457 VanDerWaalsContact CD2-OG1 3.26Å; L423-T457 WeakPolarHBondContact CD2-OG1 3.41Å |
| 424 | N | 91.6 | Very high | 90.1 | Very high | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.1 | 175.7 | 91.6 | 0 | 0 | 0 | 112.1 | L420 R421 S428 | L420-N424 PolarHBondContact O-N 2.91Å; L420-N424 VanDerWaalsContact O-N 3.12Å; R421-N424 PolarHBondContact O-N 3.28Å; N424-S428 VanDerWaalsContact O-CB 3.32Å; N424-S428 WeakPolarHBondContact O-CB 3.4Å; N424-S428 PolarHBondContact O-N 3.26Å; N424-S428 PolarHBondContact O-OG 3.24Å |
| 425 | D | 90.6 | Very high | 90 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -36.7 | -179.9 | -84.5 | 10.6 | 0 | 0 | 0 | 112.4 | R421 K422 L423 S428 K429 | R421-D425 VanDerWaalsContact O-CB 3.28Å; R421-D425 WeakPolarHBondContact O-CB 3.37Å; R421-D425 PolarHBondContact O-N 3.1Å; K422-D425 PolarHBondContact O-N 2.92Å; L423-D425 VanDerWaalsContact C-N 3.31Å; L423-D425 PolarHBondContact O-N 3.26Å; D425-S428 PolarHBondContact O-OG 3.13Å; D425-K429 VanDerWaalsContact C-NZ 3.34Å; D425-K429 WeakPolarHBondContact O-CD 3.28Å; D425-K429 VanDerWaalsContact O-CE 3.25Å; D425-K429 WeakPolarHBondContact O-CE 3.26Å; D425-K429 VanDerWaalsContact O-CG 3.23Å; D425-K429 WeakPolarHBondContact O-CG 3.06Å; D425-K429 PolarHBondContact O-NZ 3.42Å |
| 426 | D | 90.9 | Very high | 90 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -81.9 | -38.7 | 178.9 | -71.8 | -11.5 | 0 | 0 | 0 | 111.4 | K422 L423 K429 C430 A431 L434 | K422-D426 IonicContact NZ-OD2 3.41Å; K422-D426 PolarHBondContact NZ-OD2 3.15Å; K422-D426 WeakPolarHBondContact O-CB 3.47Å; K422-D426 PolarHBondContact O-N 2.96Å; L423-D426 PolarHBondContact O-N 3.18Å; D426-K429 PolarHBondContact O-N 3.41Å; D426-C430 PolarHBondContact O-N 3.33Å; D426-A431 HydrophobicContact CB-CB 4.15Å; D426-A431 PolarHBondContact O-N 2.89Å; D426-L434 HydrophobicContact CB-CB 4.48Å; D426-L434 HydrophobicContact CB-CD1 4.12Å |
| 427 | W | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.9 | -168 | -67.8 | 0 | 0 | 0 | 112.2 | W305 P336 M342 L358 P359 F362 L423 K429 C430 L434 L454 | W305-W427 HydrophobicContact CB-CH2 3.91Å; W305-W427 HydrophobicContact CB-CZ3 3.78Å; W305-W427 AromaticContact CD1-CH2 3.77Å; W305-W427 AromaticContact CD1-CZ3 3.77Å; W305-W427 AromaticContact CD2-CH2 3.88Å; W305-W427 HydrophobicContact CD2-CH2 3.88Å; W305-W427 HydrophobicContact CE3-CH2 4.5Å; W305-W427 AromaticContact CG-CH2 3.56Å; W305-W427 HydrophobicContact CG-CH2 3.56Å; W305-W427 AromaticContact CG-CZ3 3.75Å; W305-W427 HydrophobicContact CG-CZ3 3.75Å; P336-W427 HydrophobicContact CG-CB 3.89Å; P336-W427 HydrophobicContact CG-CD2 3.53Å; P336-W427 HydrophobicContact CG-CE3 3.58Å; P336-W427 HydrophobicContact CG-CG 3.68Å; P336-W427 HydrophobicContact CG-CZ3 4.35Å; M342-W427 HydrophobicContact CE-CB 4.23Å; M342-W427 VanDerWaalsContact CE-CD1 3.45Å; M342-W427 HydrophobicContact CE-CG 3.99Å; L358-W427 HydrophobicContact CD2-CH2 4.44Å; L358-W427 HydrophobicContact CD2-CZ3 4.18Å; L358-W427 HydrophobicContact CG-CH2 4.02Å; L358-W427 HydrophobicContact CG-CZ3 4.19Å; P359-W427 HydrophobicContact CB-CD2 4.16Å; P359-W427 HydrophobicContact CB-CG 4.14Å; P359-W427 HydrophobicContact CB-CZ2 4.47Å; P359-W427 HydrophobicContact CG-CB 4.47Å; P359-W427 HydrophobicContact CG-CD2 3.76Å; P359-W427 HydrophobicContact CG-CE3 4.17Å; P359-W427 HydrophobicContact CG-CG 3.9Å; P359-W427 HydrophobicContact CG-CZ2 4.5Å; F362-W427 HydrophobicContact CB-CZ2 3.92Å; F362-W427 AromaticContact CD1-CZ2 3.68Å; F362-W427 HydrophobicContact CD1-CZ2 3.68Å; F362-W427 HydrophobicContact CE1-CZ2 4.34Å; F362-W427 AromaticContact CG-CZ2 3.9Å; F362-W427 HydrophobicContact CG-CZ2 3.9Å; L423-W427 WeakPolarHBondContact O-CB 3.45Å; L423-W427 PolarHBondContact O-N 3.1Å; W427-K429 PolarHBondContact O-N 3.11Å; W427-C430 PolarHBondContact O-N 3.22Å; W427-L434 HydrophobicContact CD2-CD2 4.3Å; W427-L434 HydrophobicContact CE3-CD1 4.45Å; W427-L434 HydrophobicContact CE3-CD2 3.66Å; W427-L434 HydrophobicContact CZ3-CD2 4.21Å; W427-L454 HydrophobicContact CE3-CD2 4.4Å; W427-L454 HydrophobicContact CZ3-CD2 4.04Å |
| 428 | S | 87.6 | Confident | 89.9 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.9 | 178.5 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | N424 D425 | N424-S428 VanDerWaalsContact O-CB 3.32Å; N424-S428 WeakPolarHBondContact O-CB 3.4Å; N424-S428 PolarHBondContact O-N 3.26Å; N424-S428 PolarHBondContact O-OG 3.24Å; D425-S428 PolarHBondContact O-OG 3.13Å |
| 429 | K | 88.3 | Confident | 89.6 | Confident | 118 Ų | 118 | 44.6 Ų | 44.6 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.4 | 174.5 | -60.9 | 175.7 | -159.3 | 110.9 | 0 | 113.1 | D425 D426 W427 A431 | D425-K429 VanDerWaalsContact C-NZ 3.34Å; D425-K429 WeakPolarHBondContact O-CD 3.28Å; D425-K429 VanDerWaalsContact O-CE 3.25Å; D425-K429 WeakPolarHBondContact O-CE 3.26Å; D425-K429 VanDerWaalsContact O-CG 3.23Å; D425-K429 WeakPolarHBondContact O-CG 3.06Å; D425-K429 PolarHBondContact O-NZ 3.42Å; D426-K429 PolarHBondContact O-N 3.41Å; W427-K429 PolarHBondContact O-N 3.11Å; K429-A431 HydrophobicContact CB-CB 4.36Å; K429-A431 PolarHBondContact O-N 2.93Å; K429-A431 VanDerWaalsContact O-N 3.13Å |
| 430 | C | 87.8 | Confident | 89.3 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 33.8 | -168.3 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | I344 N357 P359 M360 D426 W427 P432 | I344-C430 WeakPolarHBondContact CG2-SG 3.47Å; N357-C430 PolarHBondContact ND2-O 3.42Å; P359-C430 HydrophobicContact CB-CB 4.41Å; M360-C430 HydrophobicContact CG-CB 4.3Å; M360-C430 VanDerWaalsContact SD-SG 3.67Å; D426-C430 PolarHBondContact O-N 3.33Å; W427-C430 PolarHBondContact O-N 3.22Å; C430-P432 WeakPolarHBondContact O-CD 3.17Å |
| 431 | A | 88.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | trans | -66.5 | 126.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D426 K429 S433 L434 | D426-A431 HydrophobicContact CB-CB 4.15Å; D426-A431 PolarHBondContact O-N 2.89Å; K429-A431 HydrophobicContact CB-CB 4.36Å; K429-A431 PolarHBondContact O-N 2.93Å; K429-A431 VanDerWaalsContact O-N 3.13Å; A431-S433 PolarHBondContact O-N 3.02Å; A431-L434 WeakPolarHBondContact O-CB 3.22Å; A431-L434 PolarHBondContact O-N 3.31Å | ||
| 432 | P | 85.5 | Confident | 87.1 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.1 | 177.1 | -27 | 34.4 | 0 | 0 | 0 | 113.2 | G111 C430 L434 M435 | G111-P432 WeakPolarHBondContact CA-O 3.42Å; C430-P432 WeakPolarHBondContact O-CD 3.17Å; P432-L434 PolarHBondContact O-N 3.04Å; P432-L434 VanDerWaalsContact O-N 3.09Å; P432-M435 PolarHBondContact O-N 3.43Å |
| 433 | S | 87.9 | Confident | 85.4 | Confident | 51 Ų | 51 | 45.1 Ų | 45.1 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -5.5 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 115 | A431 M435 T437 | A431-S433 PolarHBondContact O-N 3.02Å; S433-M435 VanDerWaalsContact C-N 3.35Å; S433-T437 WeakPolarHBondContact O-CB 3.41Å; S433-T437 PolarHBondContact O-N 2.76Å; S433-T437 PolarHBondContact O-OG1 2.97Å |
| 434 | L | 89.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.3 | 179.2 | 69.4 | 0 | 0 | 0 | 111.5 | P359 L423 D426 W427 A431 P432 L454 | P359-L434 HydrophobicContact CG-CD2 3.44Å; P359-L434 VanDerWaalsContact CG-CD2 3.44Å; L423-L434 HydrophobicContact CD1-CD1 3.9Å; D426-L434 HydrophobicContact CB-CB 4.48Å; D426-L434 HydrophobicContact CB-CD1 4.12Å; W427-L434 HydrophobicContact CD2-CD2 4.3Å; W427-L434 HydrophobicContact CE3-CD1 4.45Å; W427-L434 HydrophobicContact CE3-CD2 3.66Å; W427-L434 HydrophobicContact CZ3-CD2 4.21Å; A431-L434 WeakPolarHBondContact O-CB 3.22Å; A431-L434 PolarHBondContact O-N 3.31Å; P432-L434 PolarHBondContact O-N 3.04Å; P432-L434 VanDerWaalsContact O-N 3.09Å; L434-L454 HydrophobicContact CD1-CD2 4.16Å; L434-L454 HydrophobicContact CD1-CG 4.43Å; L434-L454 HydrophobicContact CD2-CD2 4.45Å; L434-L454 HydrophobicContact CG-CD1 4.29Å; L434-L454 HydrophobicContact CG-CD2 4.2Å; L434-L454 HydrophobicContact CG-CG 4.34Å |
| 435 | M | 86.7 | Confident | 80.9 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.6 | -38.5 | 178.1 | -62.8 | -60.1 | -65.2 | 0 | 0 | 111.9 | D110 S112 I307 L358 P432 S433 L454 | D110-M435 VanDerWaalsContact O-CG 3.29Å; D110-M435 WeakPolarHBondContact O-CG 3.5Å; S112-M435 VanDerWaalsContact OG-CB 3.28Å; S112-M435 WeakPolarHBondContact OG-CB 3.43Å; I307-M435 HydrophobicContact CG1-CE 3.74Å; L358-M435 HydrophobicContact CB-SD 4.27Å; L358-M435 HydrophobicContact CD2-SD 3.78Å; P432-M435 PolarHBondContact O-N 3.43Å; S433-M435 VanDerWaalsContact C-N 3.35Å; M435-L454 HydrophobicContact CE-CD1 4.48Å; M435-L454 HydrophobicContact SD-CD1 3.6Å; M435-L454 VanDerWaalsContact SD-CD1 3.6Å |
| 436 | T | 87.4 | Confident | 78.8 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -93.1 | -13.7 | -170.4 | 72 | 0 | 0 | 0 | 0 | 114.6 | G111 D167 S438 | G111-T436 VanDerWaalsContact C-CG2 3.48Å; D167-T436 WeakPolarHBondContact OD1-CB 3.32Å; D167-T436 WeakPolarHBondContact OD1-CG2 3.3Å; D167-T436 WeakPolarHBondContact OD2-CG2 3.38Å; T436-S438 PolarHBondContact O-N 3.3Å |
| 437 | T | 90.2 | Very high | 76.9 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | trans | -64 | 123.9 | 177.6 | -66.6 | 0 | 0 | 0 | 0 | 110 | K422 S433 P452 L453 | K422-T437 HydrophobicContact CD-CG2 4.19Å; K422-T437 PolarHBondContact NZ-OG1 3.2Å; S433-T437 WeakPolarHBondContact O-CB 3.41Å; S433-T437 PolarHBondContact O-N 2.76Å; S433-T437 PolarHBondContact O-OG1 2.97Å; T437-P452 CarbonylContact O-C 3.58Å; T437-P452 WeakPolarHBondContact O-CA 3.45Å; T437-L453 HydrophobicContact CG2-CB 3.84Å; T437-L453 HydrophobicContact CG2-CD2 4.06Å; T437-L453 WeakPolarHBondContact O-CB 3.33Å; T437-L453 PolarHBondContact O-N 2.94Å | ||
| 438 | S | 87.7 | Confident | 75.4 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 149.2 | 168.6 | -15.4 | 0 | 0 | 0 | 0 | 112.4 | T436 V451 | T436-S438 PolarHBondContact O-N 3.3Å; S438-V451 CarbonylContact C-O 3.5Å; S438-V451 VanDerWaalsContact CA-O 3.3Å; S438-V451 WeakPolarHBondContact CA-O 3.22Å |
| 439 | V | 88.3 | Confident | 74.5 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | E419 L441 T450 V451 L453 Y456 | E419-V439 HydrophobicContact CG-CG1 3.92Å; E419-V439 HydrophobicContact CG-CG2 4.11Å; V439-L441 PolarHBondContact O-N 2.87Å; V439-T450 VanDerWaalsContact O-CA 3.26Å; V439-T450 WeakPolarHBondContact O-CA 3.49Å; V439-V451 PolarHBondContact N-O 2.87Å; V439-V451 PolarHBondContact O-N 3.24Å; V439-L453 HydrophobicContact CG2-CB 4.16Å; V439-L453 HydrophobicContact CG2-CD1 3.6Å; V439-L453 HydrophobicContact CG2-CG 4.5Å; V439-Y456 HydrophobicContact CB-CD2 4.13Å; V439-Y456 HydrophobicContact CB-CG 4.07Å; V439-Y456 HydrophobicContact CG1-CD1 4.05Å; V439-Y456 HydrophobicContact CG1-CD2 3.75Å; V439-Y456 HydrophobicContact CG1-CE1 4.14Å; V439-Y456 HydrophobicContact CG1-CE2 3.84Å; V439-Y456 HydrophobicContact CG1-CG 3.84Å; V439-Y456 HydrophobicContact CG2-CG 4.36Å |
| 440 | L | 85.1 | Confident | 74 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.4 | 176.3 | -173.8 | 72.1 | 0 | 0 | 0 | 110.3 | N442 K448 T450 | L440-N442 WeakPolarHBondContact CD2-O 3.35Å; L440-N442 WeakPolarHBondContact CG-O 3.43Å; L440-K448 HydrophobicContact CD1-CB 3.92Å; L440-K448 HydrophobicContact CD1-CG 4.31Å; L440-T450 HydrophobicContact CD1-CG2 4.11Å |
| 441 | L | 74.2 | Confident | 73.7 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -68.6 | -42.7 | -174.4 | -177.3 | 70.9 | 0 | 0 | 0 | 112.3 | V439 T449 Y456 H485 R488 | V439-L441 PolarHBondContact O-N 2.87Å; L441-T449 WeakPolarHBondContact CB-O 3.25Å; L441-T449 HydrophobicContact CD2-CG2 4.43Å; L441-T449 PolarHBondContact N-O 2.86Å; L441-Y456 HydrophobicContact CD1-CE2 4.24Å; L441-H485 HydrophobicContact CD1-CB 4.24Å; L441-H485 HydrophobicContact CD2-CB 3.91Å; L441-H485 VanDerWaalsContact CD2-CD2 3.47Å; L441-H485 WeakPolarHBondContact CD2-CD2 3.34Å; L441-H485 VanDerWaalsContact CD2-CG 3.42Å; L441-R488 HydrophobicContact CD1-CG 4.25Å |
| 442 | N | 64.9 | Low | 73.6 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | trans | -116.6 | 119 | -178.8 | -171.1 | -18.6 | 0 | 0 | 0 | 110 | L440 S444 | L440-N442 WeakPolarHBondContact CD2-O 3.35Å; L440-N442 WeakPolarHBondContact CG-O 3.43Å; N442-S444 VanDerWaalsContact CG-OG 3.25Å; N442-S444 PolarHBondContact ND2-OG 2.78Å; N442-S444 PolarHBondContact O-N 3.42Å; N442-S444 VanDerWaalsContact OD1-CB 3.31Å; N442-S444 WeakPolarHBondContact OD1-CB 3.45Å; N442-S444 PolarHBondContact OD1-N 2.9Å; N442-S444 PolarHBondContact OD1-OG 3.05Å | ||
| 443 | K | 57.4 | Low | 73.8 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 65% | 0.648 | 33% | 0.329 | S | S | * | . | trans | -82.9 | 5.4 | -177.4 | -67.7 | 169.8 | 179.2 | 168.5 | 0 | 113 | E419 | E419-K443 IonicContact OE1-NZ 3.52Š| ||
| 444 | S | 51.7 | Low | 73.9 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -85.6 | 160.5 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | N442 G446 | N442-S444 VanDerWaalsContact CG-OG 3.25Å; N442-S444 PolarHBondContact ND2-OG 2.78Å; N442-S444 PolarHBondContact O-N 3.42Å; N442-S444 VanDerWaalsContact OD1-CB 3.31Å; N442-S444 WeakPolarHBondContact OD1-CB 3.45Å; N442-S444 PolarHBondContact OD1-N 2.9Å; N442-S444 PolarHBondContact OD1-OG 3.05Å; S444-G446 VanDerWaalsContact C-N 3.29Å; S444-G446 PolarHBondContact O-N 3.42Å; S444-G446 VanDerWaalsContact O-N 3.16Å |
| 445 | S | 39.9 | Very low | 73.8 | Confident | 126 Ų | 126 | 54.1 Ų | 54.1 | 88% | 0.881 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -77.1 | 1 | -163.6 | -166.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 446 | G | 44.8 | Very low | 73.9 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -95.5 | -83.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S444 | S444-G446 VanDerWaalsContact C-N 3.29Å; S444-G446 PolarHBondContact O-N 3.42Å; S444-G446 VanDerWaalsContact O-N 3.16Å |
| 447 | N | 51.4 | Low | 74.1 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | trans | -90.7 | 109 | -171.3 | -72.9 | -17 | 0 | 0 | 0 | 111.9 | T449 G835 H836 | N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 3.46Å; N447-T449 VanDerWaalsContact O-N 3.15Å; N447-G835 PolarHBondContact ND2-O 3.3Å; N447-H836 PolarHBondContact ND2-O 3.13Å | ||
| 448 | K | 60 | Low | 74.3 | Confident | 164 Ų | 164 | 50.6 Ų | 50.6 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | trans | -86.7 | 48.4 | 179.8 | -65.1 | -178.8 | -178 | 171.6 | 0 | 113.4 | L440 T450 | L440-K448 HydrophobicContact CD1-CB 3.92Å; L440-K448 HydrophobicContact CD1-CG 4.31Å; K448-T450 PolarHBondContact O-N 2.98Å | ||
| 449 | T | 67.8 | Low | 74.6 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | trans | -62.4 | 125.1 | 174.7 | -45.9 | 0 | 0 | 0 | 0 | 110 | L441 N447 | L441-T449 WeakPolarHBondContact CB-O 3.25Å; L441-T449 HydrophobicContact CD2-CG2 4.43Å; L441-T449 PolarHBondContact N-O 2.86Å; N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 3.46Å; N447-T449 VanDerWaalsContact O-N 3.15Å | ||
| 450 | T | 78.1 | Confident | 75 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.3 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | V439 L440 K448 | V439-T450 VanDerWaalsContact O-CA 3.26Å; V439-T450 WeakPolarHBondContact O-CA 3.49Å; L440-T450 HydrophobicContact CD1-CG2 4.11Å; K448-T450 PolarHBondContact O-N 2.98Å |
| 451 | V | 81.3 | Confident | 75.6 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.6 | 175.2 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | S438 V439 Y456 Y867 | S438-V451 CarbonylContact C-O 3.5Å; S438-V451 VanDerWaalsContact CA-O 3.3Å; S438-V451 WeakPolarHBondContact CA-O 3.22Å; V439-V451 PolarHBondContact N-O 2.87Å; V439-V451 PolarHBondContact O-N 3.24Å; V451-Y456 HydrophobicContact CG2-CD2 3.81Å; V451-Y867 HydrophobicContact CG1-CE1 3.92Å |
| 452 | P | 86 | Confident | 76.7 | Confident | 45 Ų | 45 | 42 Ų | 42 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 151.4 | 179.2 | -21.1 | 32.1 | 0 | 0 | 0 | 112.9 | T437 L454 S455 Y456 | T437-P452 CarbonylContact O-C 3.58Å; T437-P452 WeakPolarHBondContact O-CA 3.45Å; P452-L454 PolarHBondContact O-N 3.49Å; P452-S455 WeakPolarHBondContact CB-OG 3.25Å; P452-S455 WeakPolarHBondContact O-CB 3.42Å; P452-S455 PolarHBondContact O-N 3.32Å; P452-Y456 PolarHBondContact O-N 3.49Å |
| 453 | L | 91.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | -177.3 | 174.7 | 61.6 | 0 | 0 | 0 | 111.5 | E419 K422 L423 T437 V439 S455 Y456 T457 | E419-L453 HydrophobicContact CB-CD1 3.95Å; K422-L453 HydrophobicContact CB-CD2 4.33Å; K422-L453 HydrophobicContact CD-CD2 4.06Å; K422-L453 HydrophobicContact CG-CD2 4.04Å; L423-L453 HydrophobicContact CB-CD2 4.24Å; L423-L453 HydrophobicContact CB-CG 4.39Å; L423-L453 HydrophobicContact CD1-CD2 4.4Å; L423-L453 HydrophobicContact CD1-CG 4.17Å; T437-L453 HydrophobicContact CG2-CB 3.84Å; T437-L453 HydrophobicContact CG2-CD2 4.06Å; T437-L453 WeakPolarHBondContact O-CB 3.33Å; T437-L453 PolarHBondContact O-N 2.94Å; V439-L453 HydrophobicContact CG2-CB 4.16Å; V439-L453 HydrophobicContact CG2-CD1 3.6Å; V439-L453 HydrophobicContact CG2-CG 4.5Å; L453-S455 VanDerWaalsContact C-N 3.32Å; L453-S455 PolarHBondContact O-N 2.65Å; L453-Y456 WeakPolarHBondContact O-CB 3.47Å; L453-Y456 PolarHBondContact O-N 3.37Å; L453-Y456 VanDerWaalsContact O-N 3.11Å; L453-T457 HydrophobicContact CD1-CG2 4.23Å; L453-T457 PolarHBondContact O-N 3.39Å; L453-T457 PolarHBondContact O-OG1 3.46Å |
| 454 | L | 89.4 | Confident | 80.2 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.5 | -54.3 | 174.6 | -71.3 | 161.8 | 0 | 0 | 0 | 110.3 | W305 L358 L423 W427 L434 M435 P452 Y456 T457 S458 | W305-L454 HydrophobicContact CB-CD2 4.04Å; L358-L454 HydrophobicContact CD2-CD1 3.88Å; L358-L454 HydrophobicContact CD2-CD2 4.2Å; L423-L454 HydrophobicContact CD1-CD2 3.86Å; L423-L454 HydrophobicContact CD1-CG 4.46Å; W427-L454 HydrophobicContact CE3-CD2 4.4Å; W427-L454 HydrophobicContact CZ3-CD2 4.04Å; L434-L454 HydrophobicContact CD1-CD2 4.16Å; L434-L454 HydrophobicContact CD1-CG 4.43Å; L434-L454 HydrophobicContact CD2-CD2 4.45Å; L434-L454 HydrophobicContact CG-CD1 4.29Å; L434-L454 HydrophobicContact CG-CD2 4.2Å; L434-L454 HydrophobicContact CG-CG 4.34Å; M435-L454 HydrophobicContact CE-CD1 4.48Å; M435-L454 HydrophobicContact SD-CD1 3.6Å; M435-L454 VanDerWaalsContact SD-CD1 3.6Å; P452-L454 PolarHBondContact O-N 3.49Å; L454-Y456 VanDerWaalsContact C-N 3.34Å; L454-Y456 PolarHBondContact O-N 3.39Å; L454-T457 CarbonylContact O-C 3.24Å; L454-T457 PolarHBondContact O-N 3.45Å; L454-T457 VanDerWaalsContact O-N 3.07Å; L454-T457 PolarHBondContact O-OG1 3.38Å; L454-S458 PolarHBondContact O-N 3.4Å; L454-S458 PolarHBondContact O-OG 3.45Å |
| 455 | S | 86.2 | Confident | 82.3 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -38.9 | 176.8 | -45.1 | 0 | 0 | 0 | 0 | 113.9 | P452 L453 T457 S458 N483 | P452-S455 WeakPolarHBondContact CB-OG 3.25Å; P452-S455 WeakPolarHBondContact O-CB 3.42Å; P452-S455 PolarHBondContact O-N 3.32Å; L453-S455 VanDerWaalsContact C-N 3.32Å; L453-S455 PolarHBondContact O-N 2.65Å; S455-T457 VanDerWaalsContact C-N 3.33Å; S455-S458 WeakPolarHBondContact O-CB 3.49Å; S455-S458 PolarHBondContact O-N 3.34Å; S455-N483 VanDerWaalsContact CB-CB 3.41Å; S455-N483 VanDerWaalsContact OG-CB 3.25Å; S455-N483 WeakPolarHBondContact OG-CB 3.44Å |
| 456 | Y | 88.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 26.7 Ų | 26.7 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -34.5 | 176.7 | -165.5 | -92.9 | 0 | 0 | 0 | 112 | D416 E419 V439 L441 V451 P452 L453 L454 R488 | D416-Y456 HydrophobicContact CB-CE1 4.21Å; D416-Y456 WeakPolarHBondContact OD1-CE1 3.47Å; E419-Y456 HydrophobicContact CB-CD1 4.05Å; E419-Y456 HydrophobicContact CB-CE1 4.26Å; E419-Y456 HydrophobicContact CG-CD1 3.99Å; E419-Y456 HydrophobicContact CG-CE1 3.9Å; V439-Y456 HydrophobicContact CB-CD2 4.13Å; V439-Y456 HydrophobicContact CB-CG 4.07Å; V439-Y456 HydrophobicContact CG1-CD1 4.05Å; V439-Y456 HydrophobicContact CG1-CD2 3.75Å; V439-Y456 HydrophobicContact CG1-CE1 4.14Å; V439-Y456 HydrophobicContact CG1-CE2 3.84Å; V439-Y456 HydrophobicContact CG1-CG 3.84Å; V439-Y456 HydrophobicContact CG2-CG 4.36Å; L441-Y456 HydrophobicContact CD1-CE2 4.24Å; V451-Y456 HydrophobicContact CG2-CD2 3.81Å; P452-Y456 PolarHBondContact O-N 3.49Å; L453-Y456 WeakPolarHBondContact O-CB 3.47Å; L453-Y456 PolarHBondContact O-N 3.37Å; L453-Y456 VanDerWaalsContact O-N 3.11Å; L454-Y456 VanDerWaalsContact C-N 3.34Å; L454-Y456 PolarHBondContact O-N 3.39Å; Y456-R488 VanDerWaalsContact O-CZ 3.23Å; Y456-R488 PolarHBondContact O-NH1 2.89Å; Y456-R488 PolarHBondContact O-NH2 2.88Å |
| 457 | T | 91.8 | Very high | 87 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -90.8 | -0.6 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | P412 E419 L420 L423 L453 L454 S455 | P412-T457 WeakPolarHBondContact CG-O 3.48Å; E419-T457 HydrophobicContact CB-CG2 4.34Å; L420-T457 HydrophobicContact CD2-CG2 3.8Å; L420-T457 HydrophobicContact CG-CG2 4.14Å; L423-T457 HydrophobicContact CB-CG2 4.45Å; L423-T457 HydrophobicContact CD2-CG2 3.96Å; L423-T457 VanDerWaalsContact CD2-OG1 3.26Å; L423-T457 WeakPolarHBondContact CD2-OG1 3.41Å; L453-T457 HydrophobicContact CD1-CG2 4.23Å; L453-T457 PolarHBondContact O-N 3.39Å; L453-T457 PolarHBondContact O-OG1 3.46Å; L454-T457 CarbonylContact O-C 3.24Å; L454-T457 PolarHBondContact O-N 3.45Å; L454-T457 VanDerWaalsContact O-N 3.07Å; L454-T457 PolarHBondContact O-OG1 3.38Å; S455-T457 VanDerWaalsContact C-N 3.33Å |
| 458 | S | 93.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | trans | -62.6 | 150.5 | 177.8 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | T303 H304 T334 T411 L454 S455 S481 | T303-S458 WeakPolarHBondContact O-CB 3.47Å; H304-S458 VanDerWaalsContact CB-OG 3.29Å; H304-S458 WeakPolarHBondContact CB-OG 3.32Å; T334-S458 WeakPolarHBondContact OG1-CA 3.29Å; T411-S458 WeakPolarHBondContact CB-O 3.43Å; T411-S458 PolarHBondContact OG1-O 2.98Å; L454-S458 PolarHBondContact O-N 3.4Å; L454-S458 PolarHBondContact O-OG 3.45Å; S455-S458 WeakPolarHBondContact O-CB 3.49Å; S455-S458 PolarHBondContact O-N 3.34Å; S458-S481 WeakPolarHBondContact CB-OG 3.38Å | ||
| 459 | V | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -87.3 | 120 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | T303 T334 V381 T411 A461 | T303-V459 VanDerWaalsContact CB-O 3.3Å; T303-V459 WeakPolarHBondContact CB-O 3.31Å; T303-V459 PolarHBondContact O-N 3.18Å; T334-V459 PolarHBondContact OG1-N 3.35Å; V381-V459 HydrophobicContact CB-CG1 4.31Å; V381-V459 HydrophobicContact CB-CG2 4.01Å; V381-V459 HydrophobicContact CG1-CG1 3.69Å; V381-V459 HydrophobicContact CG1-CG2 3.96Å; V381-V459 WeakPolarHBondContact O-CG2 3.35Å; T411-V459 WeakPolarHBondContact O-CA 3.28Å; V459-A461 HydrophobicContact CG1-CB 4.43Å | ||
| 460 | S | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -108.1 | 145.3 | 157.7 | -62 | 0 | 0 | 0 | 0 | 108.7 | L410 T411 F479 S481 I489 | L410-S460 WeakPolarHBondContact CA-O 3.33Å; L410-S460 VanDerWaalsContact CB-O 3.29Å; L410-S460 WeakPolarHBondContact CB-O 3.38Å; L410-S460 PolarHBondContact N-O 3.45Å; T411-S460 PolarHBondContact N-O 3.12Å; T411-S460 PolarHBondContact OG1-N 2.75Å; S460-F479 CarbonylContact C-O 3.46Å; S460-F479 WeakPolarHBondContact CA-O 3.27Å; S460-S481 PolarHBondContact OG-N 3.08Å; S460-S481 VanDerWaalsContact OG-N 3.11Å; S460-S481 PolarHBondContact OG-OG 3.02Å; S460-I489 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 461 | A | 97.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L407 F408 V459 F479 | L407-A461 HydrophobicContact CD1-CB 4.13Å; L407-A461 HydrophobicContact CD2-CB 3.92Å; L407-A461 HydrophobicContact CG-CB 3.94Å; F408-A461 WeakPolarHBondContact O-CA 3.33Å; V459-A461 HydrophobicContact CG1-CB 4.43Å; A461-F479 PolarHBondContact N-O 2.89Å; A461-F479 PolarHBondContact O-N 2.81Å |
| 462 | L | 98 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.8 | 169.8 | 175.2 | 65.8 | 0 | 0 | 0 | 108.5 | F408 L410 I464 F477 L478 L493 L496 L503 V854 | F408-L462 HydrophobicContact CB-CB 4.31Å; F408-L462 WeakPolarHBondContact CB-O 3.46Å; F408-L462 PolarHBondContact N-O 2.88Å; F408-L462 PolarHBondContact O-N 3.07Å; L410-L462 HydrophobicContact CD1-CB 4.38Å; L410-L462 HydrophobicContact CD2-CB 4.3Å; L462-I464 HydrophobicContact CD1-CD1 4Å; L462-I464 HydrophobicContact CD2-CD1 4.05Å; L462-I464 HydrophobicContact CG-CD1 3.74Å; L462-I464 HydrophobicContact CG-CG1 4.33Å; L462-F477 CarbonylContact C-O 3.53Å; L462-F477 WeakPolarHBondContact CA-O 3.21Å; L462-L478 HydrophobicContact CB-CD1 4.45Å; L462-L478 HydrophobicContact CD1-CB 4.31Å; L462-L493 HydrophobicContact CD2-CD2 4.34Å; L462-L496 HydrophobicContact CD2-CD1 4.12Å; L462-L503 HydrophobicContact CD2-CD1 4.04Å; L462-L503 HydrophobicContact CD2-CD2 4.07Å; L462-V854 HydrophobicContact CD1-CG1 4.02Å |
| 463 | V | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | L268 L405 E406 L407 F477 F479 | L268-V463 HydrophobicContact CD2-CG1 4.02Å; L405-V463 HydrophobicContact CD1-CG1 3.52Å; L405-V463 HydrophobicContact CD2-CG1 4.39Å; L405-V463 HydrophobicContact CG-CG1 3.99Å; E406-V463 CarbonylContact O-C 3.59Å; E406-V463 WeakPolarHBondContact O-CA 3.19Å; L407-V463 HydrophobicContact CB-CG2 4.16Å; L407-V463 HydrophobicContact CD1-CG2 3.8Å; L407-V463 HydrophobicContact CG-CG2 3.9Å; V463-F477 HydrophobicContact CB-CB 4.26Å; V463-F477 HydrophobicContact CG1-CD2 4.46Å; V463-F477 PolarHBondContact N-O 3.07Å; V463-F477 PolarHBondContact O-N 2.83Å; V463-F479 HydrophobicContact CB-CD2 4.42Å; V463-F479 HydrophobicContact CB-CE2 4.2Å; V463-F479 HydrophobicContact CG2-CD2 3.99Å; V463-F479 HydrophobicContact CG2-CE2 4.07Å |
| 464 | I | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.2 | -174.9 | -53.8 | -65.3 | 0 | 0 | 0 | 109.2 | L405 E406 F408 L462 R466 I474 L475 R476 Y502 L503 | L405-I464 WeakPolarHBondContact CA-O 3.44Å; E406-I464 PolarHBondContact N-O 3.26Å; E406-I464 PolarHBondContact O-N 3.01Å; F408-I464 HydrophobicContact CD2-CG1 3.78Å; F408-I464 HydrophobicContact CE2-CB 4.38Å; F408-I464 HydrophobicContact CE2-CG1 3.73Å; L462-I464 HydrophobicContact CD1-CD1 4Å; L462-I464 HydrophobicContact CD2-CD1 4.05Å; L462-I464 HydrophobicContact CG-CD1 3.74Å; L462-I464 HydrophobicContact CG-CG1 4.33Å; I464-R466 HydrophobicContact CG2-CG 3.7Å; I464-I474 HydrophobicContact CG2-CG2 3.59Å; I464-L475 WeakPolarHBondContact CA-O 3.44Å; I464-R476 HydrophobicContact CD1-CB 4.03Å; I464-R476 HydrophobicContact CD1-CG 3.7Å; I464-Y502 HydrophobicContact CD1-CE2 3.87Å; I464-Y502 HydrophobicContact CG1-CE2 4.28Å; I464-Y502 HydrophobicContact CG2-CE2 4.16Å; I464-L503 HydrophobicContact CD1-CD2 4.41Å |
| 465 | W | 95.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.1 | 167.3 | 170.5 | -110 | 0 | 0 | 0 | 109.6 | L270 F397 Q402 C404 L405 I474 L475 F477 | L270-W465 HydrophobicContact CD1-CD2 4.18Å; L270-W465 HydrophobicContact CD1-CE3 3.81Å; L270-W465 HydrophobicContact CD1-CZ3 4.36Å; L270-W465 HydrophobicContact CD2-CD2 4.46Å; L270-W465 HydrophobicContact CD2-CG 4.31Å; F397-W465 HydrophobicContact CD1-CZ3 4.06Å; F397-W465 HydrophobicContact CE1-CH2 4.45Å; F397-W465 HydrophobicContact CE1-CZ3 4.29Å; Q402-W465 HydrophobicContact CG-CH2 4.14Å; Q402-W465 HydrophobicContact CG-CZ2 4.33Å; C404-W465 VanDerWaalsContact O-CE3 3.3Å; L405-W465 HydrophobicContact CB-CE3 4.23Å; L405-W465 HydrophobicContact CD1-CB 4.02Å; L405-W465 HydrophobicContact CD1-CE3 4.3Å; W465-I474 WeakPolarHBondContact O-CA 3.29Å; W465-L475 HydrophobicContact CB-CB 4.26Å; W465-L475 PolarHBondContact N-O 3.39Å; W465-L475 PolarHBondContact O-N 2.72Å; W465-F477 HydrophobicContact CB-CE2 4.31Å |
| 466 | R | 93.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 26.1 Ų | 26.1 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 103.3 | 176.5 | -56.3 | -164.5 | -80.9 | 104.7 | -9.5 | 108.8 | G403 C404 E406 I464 I474 | G403-R466 CarbonylContact C-O 3.49Å; G403-R466 WeakPolarHBondContact CA-O 3.1Å; C404-R466 PolarHBondContact N-O 2.72Å; C404-R466 PolarHBondContact O-N 3.19Å; C404-R466 VanDerWaalsContact SG-CZ 3.52Å; C404-R466 PolarHBondContact SG-NH1 3.07Å; E406-R466 IonicContact OE1-CZ 3.68Å; E406-R466 IonicContact OE1-NH2 3.2Å; E406-R466 PolarHBondContact OE1-NH2 3.41Å; E406-R466 IonicContact OE2-CZ 2.88Å; E406-R466 VanDerWaalsContact OE2-CZ 3.22Å; E406-R466 IonicContact OE2-NE 3.73Å; E406-R466 PolarHBondContact OE2-NE 3.46Å; E406-R466 IonicContact OE2-NH2 2.81Å; E406-R466 PolarHBondContact OE2-NH2 3.05Å; I464-R466 HydrophobicContact CG2-CG 3.7Å; R466-I474 HydrophobicContact CG-CD1 4.46Å; R466-I474 HydrophobicContact CG-CG1 4.32Å; R466-I474 HydrophobicContact CG-CG2 4.16Å |
| 467 | P | 91.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 160.9 | 175.1 | 27.2 | -33.5 | 0 | 0 | 0 | 111.2 | E472 | P467-E472 HydrophobicContact CB-CB 3.92Å; P467-E472 WeakPolarHBondContact CB-OE2 3.45Å; P467-E472 HydrophobicContact CG-CB 3.52Å |
| 468 | T | 89.3 | Confident | 94.1 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 50% | 0.497 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -78.4 | -26 | 172.3 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | Q402 G403 | Q402-T468 VanDerWaalsContact C-OG1 3.23Å; Q402-T468 PolarHBondContact N-OG1 3.28Å; Q402-T468 PolarHBondContact O-N 3.15Å; G403-T468 PolarHBondContact N-OG1 3.37Å; G403-T468 VanDerWaalsContact N-OG1 3.09Å |
| 469 | S | 87.5 | Confident | 94.2 | Very high | 42 Ų | 42 | 25.3 Ų | 25.3 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | trans | -69.9 | 132.8 | 172.6 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | T471 | S469-T471 VanDerWaalsContact C-N 3.26Å; S469-T471 PolarHBondContact O-N 2.77Å; S469-T471 PolarHBondContact OG-N 3.37Å; S469-T471 PolarHBondContact OG-OG1 2.79Å | ||
| 470 | D | 86.3 | Confident | 94.3 | Very high | 85 Ų | 85 | 25.4 Ų | 25.4 | 46% | 0.455 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -77.8 | -11.8 | 175.6 | 73.4 | -37.2 | 0 | 0 | 0 | 113.1 | I509 P510 A511 | D470-I509 WeakPolarHBondContact O-CG2 3.26Å; D470-P510 HydrophobicContact CB-CB 4.28Å; D470-P510 WeakPolarHBondContact O-CD 3.4Å; D470-A511 HydrophobicContact CB-CB 4.14Å; D470-A511 VanDerWaalsContact O-CB 3.22Å; D470-A511 WeakPolarHBondContact O-CB 3.32Å; D470-A511 PolarHBondContact O-N 2.83Å; D470-A511 VanDerWaalsContact OD2-CB 3.31Å; D470-A511 WeakPolarHBondContact OD2-CB 3.5Å |
| 471 | T | 88 | Confident | 94.1 | Very high | 90 Ų | 90 | 25.4 Ų | 25.4 | 55% | 0.552 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -88.9 | -19.7 | 176.9 | 65 | 0 | 0 | 0 | 0 | 113.6 | S469 | S469-T471 VanDerWaalsContact C-N 3.26Å; S469-T471 PolarHBondContact O-N 2.77Å; S469-T471 PolarHBondContact OG-N 3.37Å; S469-T471 PolarHBondContact OG-OG1 2.79Å |
| 472 | E | 90 | Very high | 93.3 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 39% | 0.388 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -83.9 | 148.7 | 178.9 | -72.6 | 177.8 | -164.5 | 0 | 0 | 111.6 | P467 P510 | P467-E472 HydrophobicContact CB-CB 3.92Å; P467-E472 WeakPolarHBondContact CB-OE2 3.45Å; P467-E472 HydrophobicContact CG-CB 3.52Å; E472-P510 WeakPolarHBondContact O-CD 3.32Å |
| 473 | P | 92.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 27.8 Ų | 27.8 | 17% | 0.169 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 140 | 177.9 | 31.1 | -34.3 | 0 | 0 | 0 | 112 | L475 I509 | P473-L475 HydrophobicContact CB-CD2 4.43Å; P473-L475 HydrophobicContact CG-CD2 4.09Å; P473-L475 PolarHBondContact O-N 3Å; P473-I509 HydrophobicContact CB-CG1 4.48Å |
| 474 | I | 95.2 | Very high | 92 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 121.7 | 160.8 | -65.8 | 172.2 | 0 | 0 | 0 | 108.1 | I464 W465 R466 R476 Y502 A508 P510 | I464-I474 HydrophobicContact CG2-CG2 3.59Å; W465-I474 WeakPolarHBondContact O-CA 3.29Å; R466-I474 HydrophobicContact CG-CD1 4.46Å; R466-I474 HydrophobicContact CG-CG1 4.32Å; R466-I474 HydrophobicContact CG-CG2 4.16Å; I474-R476 HydrophobicContact CG2-CG 4.4Å; I474-R476 PolarHBondContact O-NE 3.14Å; I474-Y502 HydrophobicContact CD1-CD1 3.97Å; I474-Y502 HydrophobicContact CD1-CG 4.15Å; I474-Y502 HydrophobicContact CG2-CD2 4.21Å; I474-Y502 HydrophobicContact CG2-CG 4.31Å; I474-A508 HydrophobicContact CB-CB 4.05Å; I474-A508 PolarHBondContact N-O 2.86Å; I474-P510 HydrophobicContact CD1-CG 4.26Å; I474-P510 HydrophobicContact CG1-CG 4.24Å |
| 475 | L | 96.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.1 | 179 | -55.5 | 175.7 | 0 | 0 | 0 | 111 | P253 I464 W465 P473 F477 D855 L974 | P253-L475 HydrophobicContact CB-CD1 3.4Å; P253-L475 HydrophobicContact CG-CD1 3.87Å; I464-L475 WeakPolarHBondContact CA-O 3.44Å; W465-L475 HydrophobicContact CB-CB 4.26Å; W465-L475 PolarHBondContact N-O 3.39Å; W465-L475 PolarHBondContact O-N 2.72Å; P473-L475 HydrophobicContact CB-CD2 4.43Å; P473-L475 HydrophobicContact CG-CD2 4.09Å; P473-L475 PolarHBondContact O-N 3Å; L475-F477 HydrophobicContact CB-CE2 3.71Å; L475-F477 HydrophobicContact CB-CZ 3.84Å; L475-F477 HydrophobicContact CD1-CZ 4.21Å; L475-D855 WeakPolarHBondContact CA-OD2 3.48Å; L475-L974 HydrophobicContact CD1-CB 3.98Å; L475-L974 HydrophobicContact CD1-CD1 4.12Å; L475-L974 HydrophobicContact CD2-CB 4.31Å |
| 476 | R | 97.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 115.6 | -168.7 | -60.3 | 146.6 | -64.1 | 175 | 6.7 | 109.6 | I464 I474 Y502 L503 H505 P506 Y853 V854 D855 V856 | I464-R476 HydrophobicContact CD1-CB 4.03Å; I464-R476 HydrophobicContact CD1-CG 3.7Å; I474-R476 HydrophobicContact CG2-CG 4.4Å; I474-R476 PolarHBondContact O-NE 3.14Å; R476-Y502 HydrophobicContact CG-CD2 4.45Å; R476-Y502 PolarHBondContact NH1-O 2.86Å; R476-L503 HydrophobicContact CG-CD2 4.17Å; R476-H505 PolarHBondContact NH1-O 3.14Å; R476-P506 PolarHBondContact NH2-O 2.97Å; R476-Y853 WeakPolarHBondContact CD-O 3.4Å; R476-V854 HydrophobicContact CB-CB 4.03Å; R476-V854 HydrophobicContact CB-CG1 4.09Å; R476-D855 WeakPolarHBondContact CB-OD2 3.49Å; R476-D855 IonicContact CZ-OD1 3.98Å; R476-D855 IonicContact CZ-OD2 3.29Å; R476-D855 PolarHBondContact N-OD2 2.87Å; R476-D855 IonicContact NE-OD1 2.77Å; R476-D855 IonicContact NE-OD2 3.87Å; R476-D855 PolarHBondContact NE-OD2 2.7Å; R476-D855 IonicContact NH2-OD1 3.89Å; R476-D855 PolarHBondContact NH2-OD1 3.15Å; R476-D855 IonicContact NH2-OD2 2.78Å; R476-D855 PolarHBondContact NH2-OD2 3.17Å; R476-D855 PolarHBondContact O-N 3.39Å; R476-V856 PolarHBondContact O-N 3.11Å |
| 477 | F | 98 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.5 | -175.4 | -52.6 | -89.1 | 0 | 0 | 0 | 109.9 | L268 L462 V463 W465 L475 F479 V856 L974 | L268-F477 HydrophobicContact CD1-CD1 4.09Å; L268-F477 HydrophobicContact CD1-CD2 4.31Å; L268-F477 HydrophobicContact CD1-CE1 3.58Å; L268-F477 HydrophobicContact CD1-CE2 3.84Å; L268-F477 HydrophobicContact CD1-CG 4.43Å; L268-F477 HydrophobicContact CD1-CZ 3.44Å; L268-F477 VanDerWaalsContact CD1-CZ 3.44Å; L268-F477 HydrophobicContact CD2-CD2 4.1Å; L268-F477 HydrophobicContact CD2-CE2 4.21Å; L268-F477 HydrophobicContact CD2-CG 4.42Å; L462-F477 CarbonylContact C-O 3.53Å; L462-F477 WeakPolarHBondContact CA-O 3.21Å; V463-F477 HydrophobicContact CB-CB 4.26Å; V463-F477 HydrophobicContact CG1-CD2 4.46Å; V463-F477 PolarHBondContact N-O 3.07Å; V463-F477 PolarHBondContact O-N 2.83Å; W465-F477 HydrophobicContact CB-CE2 4.31Å; L475-F477 HydrophobicContact CB-CE2 3.71Å; L475-F477 HydrophobicContact CB-CZ 3.84Å; L475-F477 HydrophobicContact CD1-CZ 4.21Å; F477-F479 HydrophobicContact CB-CD2 4.24Å; F477-F479 HydrophobicContact CB-CE2 3.61Å; F477-F479 HydrophobicContact CB-CZ 4.06Å; F477-F479 HydrophobicContact CG-CE2 4.49Å; F477-V856 HydrophobicContact CD1-CB 4.11Å; F477-V856 HydrophobicContact CD1-CG2 4.03Å; F477-V856 HydrophobicContact CE1-CG2 4.19Å; F477-L974 HydrophobicContact CE1-CD1 3.42Å; F477-L974 VanDerWaalsContact CE1-CD1 3.42Å; F477-L974 HydrophobicContact CZ-CD1 3.56Å |
| 478 | L | 98.2 | Very high | 91 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 100 | 179.4 | 179.4 | 57.4 | 0 | 0 | 0 | 109.7 | L410 L462 V480 I489 L493 V854 V856 A857 F858 W872 V876 | L410-L478 HydrophobicContact CD1-CD1 3.49Å; L410-L478 VanDerWaalsContact CD1-CD1 3.49Å; L462-L478 HydrophobicContact CB-CD1 4.45Å; L462-L478 HydrophobicContact CD1-CB 4.31Å; L478-V480 HydrophobicContact CD1-CG2 4.2Å; L478-V480 HydrophobicContact CG-CG2 3.96Å; L478-I489 HydrophobicContact CD1-CG2 4.46Å; L478-L493 HydrophobicContact CD1-CD2 4.4Å; L478-L493 HydrophobicContact CD2-CD1 3.98Å; L478-V854 HydrophobicContact CB-CG1 4.48Å; L478-V854 HydrophobicContact CB-CG2 4.47Å; L478-V856 PolarHBondContact N-O 2.78Å; L478-A857 HydrophobicContact CB-CB 4.19Å; L478-A857 HydrophobicContact CD2-CB 4.32Å; L478-F858 PolarHBondContact O-N 3.25Å; L478-W872 HydrophobicContact CD2-CH2 3.73Å; L478-W872 HydrophobicContact CD2-CZ2 3.82Å; L478-V876 HydrophobicContact CD2-CG1 3.97Å |
| 479 | F | 97.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.6 | 174.8 | -62.9 | -74.7 | 0 | 0 | 0 | 109.2 | I255 L268 I277 S460 A461 V463 F477 F858 | I255-F479 HydrophobicContact CD1-CE1 3.9Å; I255-F479 HydrophobicContact CD1-CZ 3.99Å; L268-F479 HydrophobicContact CB-CZ 4.49Å; I277-F479 HydrophobicContact CB-CD1 4.36Å; I277-F479 HydrophobicContact CB-CE1 4.27Å; I277-F479 HydrophobicContact CD1-CD1 4.49Å; I277-F479 HydrophobicContact CD1-CE1 3.68Å; I277-F479 HydrophobicContact CD1-CE2 4.23Å; I277-F479 HydrophobicContact CD1-CZ 3.51Å; I277-F479 HydrophobicContact CG1-CD1 4.06Å; I277-F479 HydrophobicContact CG1-CE1 3.73Å; I277-F479 HydrophobicContact CG1-CE2 4.2Å; I277-F479 HydrophobicContact CG1-CG 4.44Å; I277-F479 HydrophobicContact CG1-CZ 3.81Å; I277-F479 HydrophobicContact CG2-CD1 3.92Å; I277-F479 HydrophobicContact CG2-CE1 4.34Å; I277-F479 HydrophobicContact CG2-CG 4.33Å; S460-F479 CarbonylContact C-O 3.46Å; S460-F479 WeakPolarHBondContact CA-O 3.27Å; A461-F479 PolarHBondContact N-O 2.89Å; A461-F479 PolarHBondContact O-N 2.81Å; V463-F479 HydrophobicContact CB-CD2 4.42Å; V463-F479 HydrophobicContact CB-CE2 4.2Å; V463-F479 HydrophobicContact CG2-CD2 3.99Å; V463-F479 HydrophobicContact CG2-CE2 4.07Å; F477-F479 HydrophobicContact CB-CD2 4.24Å; F477-F479 HydrophobicContact CB-CE2 3.61Å; F477-F479 HydrophobicContact CB-CZ 4.06Å; F477-F479 HydrophobicContact CG-CE2 4.49Å; F479-F858 AromaticContact CD1-CD2 3.67Å; F479-F858 HydrophobicContact CD1-CD2 3.67Å; F479-F858 AromaticContact CD1-CE2 3.72Å; F479-F858 HydrophobicContact CD1-CE2 3.72Å; F479-F858 HydrophobicContact CD1-CG 4.45Å; F479-F858 AromaticContact CE1-CD2 4Å; F479-F858 HydrophobicContact CE1-CD2 4Å; F479-F858 AromaticContact CE1-CE2 3.56Å; F479-F858 HydrophobicContact CE1-CE2 3.56Å; F479-F858 HydrophobicContact CE1-CZ 4.3Å |
| 480 | V | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | trans | -116.2 | 120.4 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | Q264 L478 A484 I489 F858 P860 W872 | Q264-V480 PolarHBondContact OE1-O 3.09Å; L478-V480 HydrophobicContact CD1-CG2 4.2Å; L478-V480 HydrophobicContact CG-CG2 3.96Å; V480-A484 HydrophobicContact CG1-CB 3.91Å; V480-I489 HydrophobicContact CG1-CD1 4.5Å; V480-I489 HydrophobicContact CG1-CG1 4.09Å; V480-I489 HydrophobicContact CG2-CG2 4.32Å; V480-F858 VanDerWaalsContact CG2-O 3.28Å; V480-F858 WeakPolarHBondContact CG2-O 3.46Å; V480-P860 HydrophobicContact CG1-CB 4.25Å; V480-P860 HydrophobicContact CG1-CG 4.24Å; V480-W872 HydrophobicContact CG2-CH2 4.03Å; V480-W872 HydrophobicContact CG2-CZ2 4.35Å | ||
| 481 | S | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -56.9 | 139.3 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | S458 S460 N483 A484 | S458-S481 WeakPolarHBondContact CB-OG 3.38Å; S460-S481 PolarHBondContact OG-N 3.08Å; S460-S481 VanDerWaalsContact OG-N 3.11Å; S460-S481 PolarHBondContact OG-OG 3.02Å; S481-N483 PolarHBondContact O-N 2.94Å; S481-A484 WeakPolarHBondContact O-CB 3.45Å; S481-A484 PolarHBondContact O-N 2.88Å; S481-A484 WeakPolarHBondContact OG-CB 3.35Å | ||
| 482 | P | 80.7 | Confident | 91.6 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.1 | -165.6 | 16.6 | -31.1 | 0 | 0 | 0 | 116 | Q264 H304 G861 S862 | Q264-P482 HydrophobicContact CG-CB 4.05Å; Q264-P482 HydrophobicContact CG-CG 4.3Å; H304-P482 VanDerWaalsContact CE1-CG 3.4Å; H304-P482 WeakPolarHBondContact CE1-CG 3.41Å; H304-P482 WeakPolarHBondContact ND1-CD 3.35Å; H304-P482 WeakPolarHBondContact NE2-CG 3.4Å; P482-G861 CarbonylContact O-C 3.56Å; P482-G861 WeakPolarHBondContact O-CA 3.22Å; P482-G861 PolarHBondContact O-N 3.2Å; P482-S862 VanDerWaalsContact CB-OG 3.22Å; P482-S862 WeakPolarHBondContact CB-OG 3.46Å; P482-S862 PolarHBondContact O-N 2.82Å |
| 483 | N | 79.7 | Confident | 91.8 | Very high | 48 Ų | 48 | 11.5 Ų | 11.5 | 26% | 0.257 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 15.6 | -178.2 | -66.4 | -86 | 0 | 0 | 0 | 113.4 | S455 S481 | S455-N483 VanDerWaalsContact CB-CB 3.41Å; S455-N483 VanDerWaalsContact OG-CB 3.25Å; S455-N483 WeakPolarHBondContact OG-CB 3.44Å; S481-N483 PolarHBondContact O-N 2.94Å |
| 484 | A | 89 | Confident | 91.7 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 2% | 0.017 | 8% | 0.075 | C | C | . | . | trans | -80.6 | 145.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V480 S481 I489 P860 G861 | V480-A484 HydrophobicContact CG1-CB 3.91Å; S481-A484 WeakPolarHBondContact O-CB 3.45Å; S481-A484 PolarHBondContact O-N 2.88Å; S481-A484 WeakPolarHBondContact OG-CB 3.35Å; A484-I489 HydrophobicContact CB-CD1 4.09Å; A484-I489 HydrophobicContact CB-CG1 4.35Å; A484-P860 VanDerWaalsContact O-CB 3.31Å; A484-P860 WeakPolarHBondContact O-CB 3.5Å; A484-G861 PolarHBondContact O-N 2.83Å; A484-G861 VanDerWaalsContact O-N 3.08Å | ||
| 485 | H | 89.9 | Confident | 91.3 | Very high | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.032 | 8% | 0.075 | C | C | . | . | trans | -100.4 | 136.5 | 179.1 | -173.4 | -81.3 | 0 | 0 | 0 | 111.3 | L441 T487 R488 A833 Y867 | L441-H485 HydrophobicContact CD1-CB 4.24Å; L441-H485 HydrophobicContact CD2-CB 3.91Å; L441-H485 VanDerWaalsContact CD2-CD2 3.47Å; L441-H485 WeakPolarHBondContact CD2-CD2 3.34Å; L441-H485 VanDerWaalsContact CD2-CG 3.42Å; H485-T487 VanDerWaalsContact C-N 3.29Å; H485-T487 PolarHBondContact CE1-OG1 2.79Å; H485-T487 PolarHBondContact ND1-OG1 3.29Å; H485-T487 PolarHBondContact O-N 3.47Å; H485-R488 PolarHBondContact O-N 2.95Å; H485-R488 VanDerWaalsContact O-N 3.17Å; H485-A833 PolarHBondContact CE1-O 2.75Å; H485-Y867 HydrophobicContact CB-CD1 4.06Å | ||
| 486 | Q | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -46.5 | -46.1 | -169.1 | 62.7 | -178.7 | 9.6 | 0 | 0 | 114.3 | R488 I489 L490 A833 P860 Y867 D869 W872 | Q486-R488 VanDerWaalsContact C-N 3.3Å; Q486-R488 PolarHBondContact O-N 3.35Å; Q486-R488 VanDerWaalsContact O-N 3.14Å; Q486-I489 PolarHBondContact O-N 2.78Å; Q486-L490 HydrophobicContact CB-CD1 4.03Å; Q486-L490 HydrophobicContact CG-CD1 4.25Å; Q486-L490 WeakPolarHBondContact O-CB 3.47Å; Q486-L490 VanDerWaalsContact O-CG 3.29Å; Q486-L490 WeakPolarHBondContact O-CG 3.22Å; Q486-L490 PolarHBondContact O-N 3.34Å; Q486-A833 HydrophobicContact CG-CB 4.39Å; Q486-A833 PolarHBondContact NE2-O 3.29Å; Q486-P860 HydrophobicContact CB-CB 4.32Å; Q486-P860 HydrophobicContact CB-CG 4.02Å; Q486-Y867 WeakPolarHBondContact CB-O 3.16Å; Q486-Y867 WeakPolarHBondContact CG-O 3.34Å; Q486-Y867 PolarHBondContact N-O 3.33Å; Q486-D869 PolarHBondContact NE2-OD1 2.79Å; Q486-W872 HydrophobicContact CB-CE3 3.98Å |
| 487 | T | 87.3 | Confident | 90.8 | Very high | 56 Ų | 56 | 13.7 Ų | 13.7 | 34% | 0.344 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -53.4 | -37.8 | -175.4 | -34.9 | 0 | 0 | 0 | 0 | 114.5 | H485 S491 | H485-T487 VanDerWaalsContact C-N 3.29Å; H485-T487 PolarHBondContact CE1-OG1 2.79Å; H485-T487 PolarHBondContact ND1-OG1 3.29Å; H485-T487 PolarHBondContact O-N 3.47Å; T487-S491 WeakPolarHBondContact O-CB 3.34Å; T487-S491 PolarHBondContact O-N 3.01Å; T487-S491 PolarHBondContact O-OG 2.93Å |
| 488 | R | 87.5 | Confident | 90.2 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.9 | -39 | 180 | -72.3 | -179.3 | 72.8 | -134.9 | 15 | 111.3 | T411 D416 L441 Y456 H485 Q486 S492 | T411-R488 HydrophobicContact CG2-CB 4.5Å; D416-R488 IonicContact OD1-CZ 3.42Å; D416-R488 IonicContact OD1-NE 2.71Å; D416-R488 IonicContact OD1-NH2 3.2Å; D416-R488 PolarHBondContact OD1-NH2 3.03Å; D416-R488 IonicContact OD2-NH2 3.29Å; D416-R488 PolarHBondContact OD2-NH2 3.02Å; D416-R488 VanDerWaalsContact OD2-NH2 3.08Å; L441-R488 HydrophobicContact CD1-CG 4.25Å; Y456-R488 VanDerWaalsContact O-CZ 3.23Å; Y456-R488 PolarHBondContact O-NH1 2.89Å; Y456-R488 PolarHBondContact O-NH2 2.88Å; H485-R488 PolarHBondContact O-N 2.95Å; H485-R488 VanDerWaalsContact O-N 3.17Å; Q486-R488 VanDerWaalsContact C-N 3.3Å; Q486-R488 PolarHBondContact O-N 3.35Å; Q486-R488 VanDerWaalsContact O-N 3.14Å; R488-S492 PolarHBondContact O-N 3.21Å |
| 489 | I | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.2 | -49 | 178.6 | -48.4 | -49.5 | 0 | 0 | 0 | 109.7 | L410 T411 S460 L478 V480 A484 Q486 S491 S492 L493 W872 | L410-I489 HydrophobicContact CD1-CG2 3.9Å; T411-I489 HydrophobicContact CG2-CD1 3.97Å; S460-I489 WeakPolarHBondContact OG-CD1 3.35Å; L478-I489 HydrophobicContact CD1-CG2 4.46Å; V480-I489 HydrophobicContact CG1-CD1 4.5Å; V480-I489 HydrophobicContact CG1-CG1 4.09Å; V480-I489 HydrophobicContact CG2-CG2 4.32Å; A484-I489 HydrophobicContact CB-CD1 4.09Å; A484-I489 HydrophobicContact CB-CG1 4.35Å; Q486-I489 PolarHBondContact O-N 2.78Å; I489-S491 VanDerWaalsContact C-N 3.32Å; I489-S491 PolarHBondContact O-N 3.16Å; I489-S492 PolarHBondContact O-N 2.87Å; I489-S492 VanDerWaalsContact O-N 3.07Å; I489-L493 HydrophobicContact CG2-CD1 3.89Å; I489-L493 HydrophobicContact CG2-CG 4.31Å; I489-L493 WeakPolarHBondContact O-CG 3.08Å; I489-L493 PolarHBondContact O-N 3.3Å; I489-W872 HydrophobicContact CB-CH2 4.38Å; I489-W872 HydrophobicContact CB-CZ3 4.02Å; I489-W872 HydrophobicContact CG2-CH2 3.88Å; I489-W872 HydrophobicContact CG2-CZ3 3.94Å |
| 490 | L | 92.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 175.7 | -69.5 | 170.5 | 0 | 0 | 0 | 112.3 | Q486 S492 L493 D494 E871 W872 R875 V876 | Q486-L490 HydrophobicContact CB-CD1 4.03Å; Q486-L490 HydrophobicContact CG-CD1 4.25Å; Q486-L490 WeakPolarHBondContact O-CB 3.47Å; Q486-L490 VanDerWaalsContact O-CG 3.29Å; Q486-L490 WeakPolarHBondContact O-CG 3.22Å; Q486-L490 PolarHBondContact O-N 3.34Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 3.17Å; L490-L493 PolarHBondContact O-N 3.02Å; L490-D494 PolarHBondContact O-N 2.84Å; L490-E871 HydrophobicContact CD1-CG 3.85Å; L490-E871 WeakPolarHBondContact CD1-OE1 3.47Å; L490-W872 HydrophobicContact CD1-CE3 4.34Å; L490-W872 HydrophobicContact CD2-CE3 3.8Å; L490-W872 HydrophobicContact CD2-CZ3 4.08Å; L490-W872 HydrophobicContact CG-CE3 3.92Å; L490-W872 HydrophobicContact CG-CZ3 4.12Å; L490-R875 HydrophobicContact CD2-CB 3.73Å; L490-V876 HydrophobicContact CD2-CG2 3.85Å |
| 491 | S | 87.9 | Confident | 89.1 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | T487 I489 | T487-S491 WeakPolarHBondContact O-CB 3.34Å; T487-S491 PolarHBondContact O-N 3.01Å; T487-S491 PolarHBondContact O-OG 2.93Å; I489-S491 VanDerWaalsContact C-N 3.32Å; I489-S491 PolarHBondContact O-N 3.16Å |
| 492 | S | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79.2 | -34.9 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | R383 L410 R488 I489 L490 A495 L496 | R383-S492 PolarHBondContact NE-OG 3.32Å; R383-S492 PolarHBondContact NH2-OG 3Å; L410-S492 WeakPolarHBondContact CA-OG 3.46Å; L410-S492 WeakPolarHBondContact O-CB 3.31Å; L410-S492 PolarHBondContact O-OG 2.95Å; R488-S492 PolarHBondContact O-N 3.21Å; I489-S492 PolarHBondContact O-N 2.87Å; I489-S492 VanDerWaalsContact O-N 3.07Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 3.17Å; S492-A495 PolarHBondContact O-N 2.62Å; S492-L496 PolarHBondContact O-N 3.05Å |
| 493 | L | 94.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | 176.2 | -70.4 | 174 | 0 | 0 | 0 | 111.9 | L410 L462 L478 I489 L490 A495 L496 I497 I852 V876 | L410-L493 HydrophobicContact CD1-CD2 3.97Å; L410-L493 HydrophobicContact CD1-CG 4.3Å; L410-L493 HydrophobicContact CD2-CD2 4.09Å; L462-L493 HydrophobicContact CD2-CD2 4.34Å; L478-L493 HydrophobicContact CD1-CD2 4.4Å; L478-L493 HydrophobicContact CD2-CD1 3.98Å; I489-L493 HydrophobicContact CG2-CD1 3.89Å; I489-L493 HydrophobicContact CG2-CG 4.31Å; I489-L493 WeakPolarHBondContact O-CG 3.08Å; I489-L493 PolarHBondContact O-N 3.3Å; L490-L493 PolarHBondContact O-N 3.02Å; L493-A495 PolarHBondContact O-N 2.85Å; L493-L496 HydrophobicContact CD2-CD1 4.18Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 2.92Å; L493-I497 PolarHBondContact O-N 3.13Å; L493-I852 VanDerWaalsContact C-CD1 3.49Å; L493-I852 HydrophobicContact CB-CD1 3.56Å; L493-I852 WeakPolarHBondContact O-CD1 3.34Å; L493-V876 HydrophobicContact CD1-CG2 3.9Å |
| 494 | D | 90.5 | Very high | 90.4 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 34% | 0.337 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -54.8 | -38.1 | 171.9 | -76.9 | -23.7 | 0 | 0 | 0 | 112.6 | L490 I497 R875 | L490-D494 PolarHBondContact O-N 2.84Å; D494-I497 VanDerWaalsContact O-CG2 3.28Å; D494-I497 WeakPolarHBondContact O-CG2 3.5Å; D494-R875 IonicContact OD1-CZ 3.13Å; D494-R875 IonicContact OD1-NH2 3.54Å; D494-R875 PolarHBondContact OD1-NH2 3.15Å; D494-R875 IonicContact OD2-CZ 3.87Å; D494-R875 IonicContact OD2-NH2 3.22Å; D494-R875 PolarHBondContact OD2-NH2 3.27Å |
| 495 | A | 87.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V389 S492 L493 T498 | V389-A495 WeakPolarHBondContact O-CB 3.5Å; S492-A495 PolarHBondContact O-N 2.62Å; L493-A495 PolarHBondContact O-N 2.85Å; A495-T498 PolarHBondContact O-N 3.3Å; A495-T498 PolarHBondContact O-OG1 3.15Å |
| 496 | L | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | -178 | -81.3 | 164.3 | 0 | 0 | 0 | 113.7 | V390 P391 F408 L410 L462 S492 L493 T498 G499 F500 L503 | V390-L496 HydrophobicContact CG1-CD2 4.31Å; P391-L496 HydrophobicContact CG-CD1 4.31Å; P391-L496 HydrophobicContact CG-CD2 3.89Å; P391-L496 HydrophobicContact CG-CG 4.15Å; F408-L496 HydrophobicContact CB-CD1 4.48Å; F408-L496 HydrophobicContact CB-CD2 4.42Å; F408-L496 HydrophobicContact CD1-CD2 3.74Å; F408-L496 HydrophobicContact CE1-CD2 4.29Å; F408-L496 HydrophobicContact CG-CD2 4.24Å; L410-L496 HydrophobicContact CD2-CD1 3.29Å; L462-L496 HydrophobicContact CD2-CD1 4.12Å; S492-L496 PolarHBondContact O-N 3.05Å; L493-L496 HydrophobicContact CD2-CD1 4.18Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 2.92Å; L496-T498 PolarHBondContact O-N 2.88Å; L496-T498 VanDerWaalsContact O-N 3.07Å; L496-G499 PolarHBondContact O-N 3.37Å; L496-F500 HydrophobicContact CD2-CD2 3.81Å; L496-F500 HydrophobicContact CD2-CE2 3.67Å; L496-F500 WeakPolarHBondContact O-CD2 3.42Å; L496-F500 PolarHBondContact O-N 2.8Å; L496-L503 HydrophobicContact CB-CD1 4.08Å |
| 497 | I | 91.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -20.9 | -179.1 | -175.9 | 163.3 | 0 | 0 | 0 | 112.9 | L493 D494 R504 K850 P851 I852 | L493-I497 PolarHBondContact O-N 3.13Å; D494-I497 VanDerWaalsContact O-CG2 3.28Å; D494-I497 WeakPolarHBondContact O-CG2 3.5Å; I497-R504 HydrophobicContact CD1-CG 3.93Å; I497-R504 HydrophobicContact CG1-CG 3.72Å; I497-R504 VanDerWaalsContact O-CZ 3.28Å; I497-R504 PolarHBondContact O-NE 2.78Å; I497-R504 PolarHBondContact O-NH2 2.92Å; I497-K850 HydrophobicContact CD1-CB 3.96Å; I497-P851 VanDerWaalsContact CD1-O 3.29Å; I497-P851 WeakPolarHBondContact CD1-O 3.36Å; I497-I852 HydrophobicContact CB-CD1 3.91Å; I497-I852 HydrophobicContact CB-CG1 3.9Å; I497-I852 HydrophobicContact CD1-CD1 4.42Å; I497-I852 HydrophobicContact CD1-CG1 3.55Å; I497-I852 HydrophobicContact CG1-CG1 4.24Å; I497-I852 HydrophobicContact CG2-CD1 3.86Å; I497-I852 HydrophobicContact CG2-CG1 4.19Å |
| 498 | T | 85.5 | Confident | 90.7 | Very high | 99 Ų | 99 | 38.3 Ų | 38.3 | 61% | 0.607 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68 | -35.8 | 173.9 | 70.8 | 0 | 0 | 0 | 0 | 113 | A495 L496 R504 | A495-T498 PolarHBondContact O-N 3.3Å; A495-T498 PolarHBondContact O-OG1 3.15Å; L496-T498 PolarHBondContact O-N 2.88Å; L496-T498 VanDerWaalsContact O-N 3.07Å; T498-R504 PolarHBondContact O-NH2 3.07Å |
| 499 | G | 85.6 | Confident | 90.9 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -89.4 | -34.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L496 | L496-G499 PolarHBondContact O-N 3.37Å |
| 500 | F | 91.7 | Very high | 90.5 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -112.7 | 113.1 | -167.2 | -61.4 | -68.9 | 0 | 0 | 0 | 113 | V390 F408 L496 Y502 L503 | V390-F500 HydrophobicContact CG1-CE2 3.88Å; V390-F500 HydrophobicContact CG1-CZ 4.46Å; F408-F500 HydrophobicContact CD1-CE2 4.31Å; F408-F500 HydrophobicContact CE1-CE1 4.38Å; F408-F500 AromaticContact CE1-CE2 3.57Å; F408-F500 HydrophobicContact CE1-CE2 3.57Å; F408-F500 AromaticContact CE1-CZ 3.47Å; F408-F500 HydrophobicContact CE1-CZ 3.47Å; F408-F500 VanDerWaalsContact CE1-CZ 3.47Å; F408-F500 HydrophobicContact CZ-CE1 4.14Å; F408-F500 HydrophobicContact CZ-CE2 4.01Å; F408-F500 AromaticContact CZ-CZ 3.67Å; F408-F500 HydrophobicContact CZ-CZ 3.67Å; L496-F500 HydrophobicContact CD2-CD2 3.81Å; L496-F500 HydrophobicContact CD2-CE2 3.67Å; L496-F500 WeakPolarHBondContact O-CD2 3.42Å; L496-F500 PolarHBondContact O-N 2.8Å; F500-Y502 HydrophobicContact CB-CD1 4.43Å; F500-Y502 HydrophobicContact CB-CD2 4.49Å; F500-Y502 HydrophobicContact CB-CE1 3.97Å; F500-Y502 HydrophobicContact CB-CE2 4.02Å; F500-Y502 AromaticContact CD1-CE1 3.64Å; F500-Y502 HydrophobicContact CD1-CE1 3.64Å; F500-Y502 AromaticContact CD1-CZ 3.63Å; F500-Y502 VanDerWaalsContact CD1-OH 3.29Å; F500-Y502 WeakPolarHBondContact CD1-OH 3.11Å; F500-Y502 HydrophobicContact CG-CE1 4.14Å; F500-Y502 HydrophobicContact CG-CE2 4.45Å; F500-Y502 AromaticContact CG-CZ 3.82Å; F500-L503 HydrophobicContact CB-CD1 3.97Å; F500-L503 HydrophobicContact CB-CG 4.03Å; F500-L503 PolarHBondContact O-N 2.99Å | ||
| 501 | I | 91.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 40 Ų | 40 | 40% | 0.395 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -68.9 | -33.2 | -178.3 | -167.8 | 168.7 | 0 | 0 | 0 | 113 | L503 R504 H505 F513 | I501-L503 PolarHBondContact O-N 3.34Å; I501-L503 VanDerWaalsContact O-N 3.12Å; I501-R504 VanDerWaalsContact O-CB 3.31Å; I501-R504 WeakPolarHBondContact O-CB 3.26Å; I501-R504 PolarHBondContact O-N 3.09Å; I501-H505 PolarHBondContact O-CD2 3.03Å; I501-F513 HydrophobicContact CD1-CD1 4.43Å; I501-F513 HydrophobicContact CG2-CD2 4.46Å; I501-F513 HydrophobicContact CG2-CG 4.5Å |
| 502 | Y | 92.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -66.3 | -12.2 | 179.4 | 55.8 | -106.8 | 0 | 0 | 0 | 114.2 | I464 I474 R476 F500 R504 | I464-Y502 HydrophobicContact CD1-CE2 3.87Å; I464-Y502 HydrophobicContact CG1-CE2 4.28Å; I464-Y502 HydrophobicContact CG2-CE2 4.16Å; I474-Y502 HydrophobicContact CD1-CD1 3.97Å; I474-Y502 HydrophobicContact CD1-CG 4.15Å; I474-Y502 HydrophobicContact CG2-CD2 4.21Å; I474-Y502 HydrophobicContact CG2-CG 4.31Å; R476-Y502 HydrophobicContact CG-CD2 4.45Å; R476-Y502 PolarHBondContact NH1-O 2.86Å; F500-Y502 HydrophobicContact CB-CD1 4.43Å; F500-Y502 HydrophobicContact CB-CD2 4.49Å; F500-Y502 HydrophobicContact CB-CE1 3.97Å; F500-Y502 HydrophobicContact CB-CE2 4.02Å; F500-Y502 AromaticContact CD1-CE1 3.64Å; F500-Y502 HydrophobicContact CD1-CE1 3.64Å; F500-Y502 AromaticContact CD1-CZ 3.63Å; F500-Y502 VanDerWaalsContact CD1-OH 3.29Å; F500-Y502 WeakPolarHBondContact CD1-OH 3.11Å; F500-Y502 HydrophobicContact CG-CE1 4.14Å; F500-Y502 HydrophobicContact CG-CE2 4.45Å; F500-Y502 AromaticContact CG-CZ 3.82Å; Y502-R504 VanDerWaalsContact C-N 3.32Å |
| 503 | L | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -85.3 | -1.8 | 171.3 | -59 | -177.5 | 0 | 0 | 0 | 113.2 | L462 I464 R476 L496 F500 I501 I852 Y853 | L462-L503 HydrophobicContact CD2-CD1 4.04Å; L462-L503 HydrophobicContact CD2-CD2 4.07Å; I464-L503 HydrophobicContact CD1-CD2 4.41Å; R476-L503 HydrophobicContact CG-CD2 4.17Å; L496-L503 HydrophobicContact CB-CD1 4.08Å; F500-L503 HydrophobicContact CB-CD1 3.97Å; F500-L503 HydrophobicContact CB-CG 4.03Å; F500-L503 PolarHBondContact O-N 2.99Å; I501-L503 PolarHBondContact O-N 3.34Å; I501-L503 VanDerWaalsContact O-N 3.12Å; L503-I852 HydrophobicContact CB-CG2 4.45Å; L503-I852 WeakPolarHBondContact O-CA 3.38Å; L503-Y853 PolarHBondContact O-N 3.31Å |
| 504 | R | 92.8 | Very high | 86.9 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 35% | 0.347 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -107 | 5.1 | -175.6 | -54.3 | 179.1 | -175.1 | 164.7 | 3.4 | 114 | I497 T498 I501 Y502 Y853 | I497-R504 HydrophobicContact CD1-CG 3.93Å; I497-R504 HydrophobicContact CG1-CG 3.72Å; I497-R504 VanDerWaalsContact O-CZ 3.28Å; I497-R504 PolarHBondContact O-NE 2.78Å; I497-R504 PolarHBondContact O-NH2 2.92Å; T498-R504 PolarHBondContact O-NH2 3.07Å; I501-R504 VanDerWaalsContact O-CB 3.31Å; I501-R504 WeakPolarHBondContact O-CB 3.26Å; I501-R504 PolarHBondContact O-N 3.09Å; Y502-R504 VanDerWaalsContact C-N 3.32Å; R504-Y853 VanDerWaalsContact C-CE2 3.49Å; R504-Y853 WeakPolarHBondContact O-CE2 3.38Å |
| 505 | H | 91.9 | Very high | 85.4 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -140.6 | 138.5 | -173.7 | -60.7 | -69.9 | 0 | 0 | 0 | 110.4 | R476 I501 K507 F513 Y853 | R476-H505 PolarHBondContact NH1-O 3.14Å; I501-H505 PolarHBondContact O-CD2 3.03Å; H505-K507 PolarHBondContact O-N 3.01Å; H505-F513 HydrophobicContact CB-CE1 4.25Å; H505-F513 HydrophobicContact CB-CZ 4.3Å; H505-F513 AromaticContact CD2-CE1 3.28Å; H505-F513 WeakPolarHBondContact CD2-CE1 3.43Å; H505-F513 AromaticContact CD2-CZ 3.84Å; H505-F513 AromaticContact CG-CE1 3.82Å; H505-F513 AromaticContact NE2-CE1 3.92Å; H505-Y853 VanDerWaalsContact N-CD2 3.32Å; H505-Y853 VanDerWaalsContact O-CB 3.28Å; H505-Y853 WeakPolarHBondContact O-CB 3.36Å |
| 506 | P | 92.1 | Very high | 83.7 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -62.9 | -43.1 | -176.3 | 23 | -32.5 | 0 | 0 | 0 | 112.2 | R476 Y853 L910 | R476-P506 PolarHBondContact NH2-O 2.97Å; P506-Y853 VanDerWaalsContact CA-CD1 3.42Å; P506-Y853 HydrophobicContact CB-CD1 3.7Å; P506-Y853 HydrophobicContact CB-CE1 3.86Å; P506-Y853 HydrophobicContact CG-CD1 4.42Å; P506-Y853 HydrophobicContact CG-CE1 4.18Å; P506-L910 HydrophobicContact CB-CD1 3.65Å; P506-L910 HydrophobicContact CB-CD2 4.06Å; P506-L910 HydrophobicContact CG-CD1 4.05Å; P506-L910 HydrophobicContact CG-CD2 4.29Å |
| 507 | K | 91.1 | Very high | 81.4 | Confident | 131 Ų | 131 | 68.8 Ų | 68.8 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -105.5 | 135.8 | 169.5 | -156.5 | 179.8 | -170.3 | -174 | 0 | 109.9 | H505 I509 | H505-K507 PolarHBondContact O-N 3.01Å; K507-I509 HydrophobicContact CD-CD1 3.85Å; K507-I509 HydrophobicContact CD-CG1 4.37Å; K507-I509 HydrophobicContact CG-CD1 4.34Å; K507-I509 HydrophobicContact CG-CG1 4.31Å |
| 508 | A | 90.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -119.3 | 61 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I474 F513 | I474-A508 HydrophobicContact CB-CB 4.05Å; I474-A508 PolarHBondContact N-O 2.86Å; A508-F513 HydrophobicContact CB-CE2 4.38Å; A508-F513 HydrophobicContact CB-CZ 4.35Å | ||
| 509 | I | 91.3 | Very high | 76.7 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | trans | -82.7 | 121.4 | 178.1 | -66.4 | 170.9 | 0 | 0 | 0 | 110.2 | D470 P473 K507 A511 E512 F513 | D470-I509 WeakPolarHBondContact O-CG2 3.26Å; P473-I509 HydrophobicContact CB-CG1 4.48Å; K507-I509 HydrophobicContact CD-CD1 3.85Å; K507-I509 HydrophobicContact CD-CG1 4.37Å; K507-I509 HydrophobicContact CG-CD1 4.34Å; K507-I509 HydrophobicContact CG-CG1 4.31Å; I509-A511 HydrophobicContact CG2-CB 4.2Å; I509-A511 PolarHBondContact O-N 2.94Å; I509-E512 HydrophobicContact CB-CG 4.21Å; I509-E512 HydrophobicContact CG2-CG 4.26Å; I509-E512 PolarHBondContact O-N 2.95Å; I509-F513 WeakPolarHBondContact O-CD2 3.38Å | ||
| 510 | P | 83.9 | Confident | 74.6 | Confident | 36 Ų | 36 | 80 Ų | 80 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.5 | -44.6 | -179.2 | -27.9 | 34.9 | 0 | 0 | 0 | 114.6 | D470 E472 I474 E512 F513 E514 | D470-P510 HydrophobicContact CB-CB 4.28Å; D470-P510 WeakPolarHBondContact O-CD 3.4Å; E472-P510 WeakPolarHBondContact O-CD 3.32Å; I474-P510 HydrophobicContact CD1-CG 4.26Å; I474-P510 HydrophobicContact CG1-CG 4.24Å; P510-E512 PolarHBondContact O-N 2.81Å; P510-E512 VanDerWaalsContact O-N 3.15Å; P510-F513 PolarHBondContact O-N 3.03Å; P510-E514 PolarHBondContact O-N 3.42Å |
| 511 | A | 80.1 | Confident | 72.1 | Confident | 4 Ų | 4 | 83.6 Ų | 83.6 | 3% | 0.033 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.1 | -26.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | D470 I509 R515 | D470-A511 HydrophobicContact CB-CB 4.14Å; D470-A511 VanDerWaalsContact O-CB 3.22Å; D470-A511 WeakPolarHBondContact O-CB 3.32Å; D470-A511 PolarHBondContact O-N 2.83Å; D470-A511 VanDerWaalsContact OD2-CB 3.31Å; D470-A511 WeakPolarHBondContact OD2-CB 3.5Å; I509-A511 HydrophobicContact CG2-CB 4.2Å; I509-A511 PolarHBondContact O-N 2.94Å; A511-R515 WeakPolarHBondContact O-CD 3.32Å; A511-R515 VanDerWaalsContact O-CG 3.31Å; A511-R515 WeakPolarHBondContact O-CG 3.39Å |
| 512 | E | 80.4 | Confident | 69.7 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.7 | -30.2 | 177.2 | -69.9 | -167.9 | -149.9 | 0 | 0 | 113 | I509 P510 K516 | I509-E512 HydrophobicContact CB-CG 4.21Å; I509-E512 HydrophobicContact CG2-CG 4.26Å; I509-E512 PolarHBondContact O-N 2.95Å; P510-E512 PolarHBondContact O-N 2.81Å; P510-E512 VanDerWaalsContact O-N 3.15Å; E512-K516 WeakPolarHBondContact O-CD 3.24Å; E512-K516 VanDerWaalsContact O-CG 3.3Å; E512-K516 WeakPolarHBondContact O-CG 3.2Å; E512-K516 PolarHBondContact O-N 3.18Å; E512-K516 IonicContact OE2-NZ 2.87Å; E512-K516 PolarHBondContact OE2-NZ 2.58Å; E512-K516 VanDerWaalsContact OE2-NZ 3.13Å |
| 513 | F | 71.4 | Confident | 67.1 | Low | 34 Ų | 34 | 92.2 Ų | 92.2 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -75.3 | -34.4 | -179.7 | -58 | -45.9 | 0 | 0 | 0 | 112 | I501 H505 A508 I509 P510 K516 R517 | I501-F513 HydrophobicContact CD1-CD1 4.43Å; I501-F513 HydrophobicContact CG2-CD2 4.46Å; I501-F513 HydrophobicContact CG2-CG 4.5Å; H505-F513 HydrophobicContact CB-CE1 4.25Å; H505-F513 HydrophobicContact CB-CZ 4.3Å; H505-F513 AromaticContact CD2-CE1 3.28Å; H505-F513 WeakPolarHBondContact CD2-CE1 3.43Å; H505-F513 AromaticContact CD2-CZ 3.84Å; H505-F513 AromaticContact CG-CE1 3.82Å; H505-F513 AromaticContact NE2-CE1 3.92Å; A508-F513 HydrophobicContact CB-CE2 4.38Å; A508-F513 HydrophobicContact CB-CZ 4.35Å; I509-F513 WeakPolarHBondContact O-CD2 3.38Å; P510-F513 PolarHBondContact O-N 3.03Å; F513-K516 PolarHBondContact O-N 3.5Å; F513-R517 PolarHBondContact O-N 3.49Å |
| 514 | E | 58.9 | Low | 64.4 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 175.2 | -65.4 | -112.7 | 108.9 | 0 | 0 | 111.3 | P510 K516 R517 | P510-E514 PolarHBondContact O-N 3.42Å; E514-K516 PolarHBondContact O-N 3.17Å; E514-R517 WeakPolarHBondContact O-CB 3.24Å; E514-R517 PolarHBondContact O-N 3.12Å; E514-R517 VanDerWaalsContact O-N 3.1Å; E514-R517 IonicContact OE1-NH1 2.64Å; E514-R517 PolarHBondContact OE1-NH1 3.4Å |
| 515 | R | 57.4 | Low | 61.8 | Low | 191 Ų | 191 | 97 Ų | 97 | 72% | 0.721 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -21.2 | 178.6 | -66 | 171 | -165.4 | 146.9 | 8.2 | 113.8 | A511 | A511-R515 WeakPolarHBondContact O-CD 3.32Å; A511-R515 VanDerWaalsContact O-CG 3.31Å; A511-R515 WeakPolarHBondContact O-CG 3.39Å |
| 516 | K | 52.9 | Low | 59.3 | Low | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.5 | 177.8 | -70.3 | 168 | -175 | 160.7 | 0 | 113.3 | E512 F513 E514 | E512-K516 WeakPolarHBondContact O-CD 3.24Å; E512-K516 VanDerWaalsContact O-CG 3.3Å; E512-K516 WeakPolarHBondContact O-CG 3.2Å; E512-K516 PolarHBondContact O-N 3.18Å; E512-K516 IonicContact OE2-NZ 2.87Å; E512-K516 PolarHBondContact OE2-NZ 2.58Å; E512-K516 VanDerWaalsContact OE2-NZ 3.13Å; F513-K516 PolarHBondContact O-N 3.5Å; E514-K516 PolarHBondContact O-N 3.17Å |
| 517 | R | 41.6 | Very low | 56.8 | Low | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -73.2 | 122.1 | 171 | -176.3 | 179.8 | -77.1 | 136.7 | -2.4 | 108.9 | F513 E514 | F513-R517 PolarHBondContact O-N 3.49Å; E514-R517 WeakPolarHBondContact O-CB 3.24Å; E514-R517 PolarHBondContact O-N 3.12Å; E514-R517 VanDerWaalsContact O-N 3.1Å; E514-R517 IonicContact OE1-NH1 2.64Å; E514-R517 PolarHBondContact OE1-NH1 3.4Å |
| 518 | P | 36.8 | Very low | 54.4 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | trans | -62 | 142 | 177 | 26.4 | -34.1 | 0 | 0 | 0 | 109.8 | Q520 | P518-Q520 PolarHBondContact O-N 3.04Š| ||
| 519 | P | 42.3 | Very low | 52 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | -62.2 | 115.8 | -178.6 | 25.2 | -33.5 | 0 | 0 | 0 | 109.4 | ||||
| 520 | Q | 41.3 | Very low | 49.6 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -59.4 | 132.2 | 166.7 | -79.6 | -172.4 | -28.9 | 0 | 0 | 108 | P518 L522 | P518-Q520 PolarHBondContact O-N 3.04Å; Q520-L522 PolarHBondContact O-N 3.03Å | ||
| 521 | P | 38.2 | Very low | 47.9 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -62.8 | 111.2 | 175 | 25.8 | -32.7 | 0 | 0 | 0 | 108.3 | S523 | P521-S523 PolarHBondContact O-N 2.79Š| ||
| 522 | L | 40.7 | Very low | 45.7 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | -56.9 | 111.4 | 177.2 | -73.1 | 171.5 | 0 | 0 | 0 | 108.8 | Q520 A524 | Q520-L522 PolarHBondContact O-N 3.03Å; L522-A524 PolarHBondContact O-N 3.48Å | ||
| 523 | S | 39.1 | Very low | 43.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -63.1 | 102.9 | 173.6 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | P521 A525 | P521-S523 PolarHBondContact O-N 2.79Å; S523-A525 PolarHBondContact O-N 3.25Å | ||
| 524 | A | 37 | Very low | 42.3 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | -73.1 | 65.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L522 | L522-A524 PolarHBondContact O-N 3.48Š| ||
| 525 | A | 39.9 | Very low | 41.4 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -130.6 | 21.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S523 | S523-A525 PolarHBondContact O-N 3.25Š| ||
| 526 | S | 39.3 | Very low | 40.4 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -152 | 58.5 | 165.9 | -169.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 527 | R | 39.1 | Very low | 39.7 | Very low | 246 Ų | 246 | 137.9 Ų | 137.9 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | trans | -95.4 | 89.1 | 159.2 | -74.8 | -171.8 | 179.8 | -178.1 | 1.1 | 109.1 | P529 | R527-P529 WeakPolarHBondContact O-CD 3.39Š| ||
| 528 | R | 39.7 | Very low | 39.5 | Very low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 119.1 | 167.5 | -159.8 | 178.1 | -156.5 | -179.7 | 6.4 | 108 | T530 | R528-T530 PolarHBondContact O-N 3.16Š| ||
| 529 | P | 41.7 | Very low | 39.5 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 124.5 | 179.2 | -16.8 | 31.4 | 0 | 0 | 0 | 110.6 | R527 I531 | R527-P529 WeakPolarHBondContact O-CD 3.39Å; P529-I531 PolarHBondContact O-N 2.95Å | ||
| 530 | T | 40.7 | Very low | 39.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -78.4 | 99.7 | 168.8 | -54 | 0 | 0 | 0 | 0 | 108.7 | R528 | R528-T530 PolarHBondContact O-N 3.16Š| ||
| 531 | I | 47.2 | Very low | 39.2 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 73% | 0.728 | 80% | 0.796 | S | S | * | * | trans | -84.9 | 122.4 | 169 | -59 | 176.3 | 0 | 0 | 0 | 107.7 | P529 | P529-I531 PolarHBondContact O-N 2.95Š| ||
| 532 | P | 34.9 | Very low | 39.2 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -77.1 | 127.3 | 171.7 | 31.2 | -31.9 | 0 | 0 | 0 | 109.9 | ||||
| 533 | A | 42.4 | Very low | 38.9 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 114.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 534 | T | 36.9 | Very low | 38.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 143.1 | 179.6 | 33.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 535 | H | 40.5 | Very low | 38.8 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | 48 | 120.1 | 164.6 | -52.6 | -67 | 0 | 0 | 0 | 119.6 | ||||
| 536 | A | 36.4 | Very low | 38.5 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 168.3 | 118.1 | 98.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 537 | T | 37.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 46 | 140 | 141.6 | 51.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 538 | S | 38.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | 73.4 | 140.9 | 160.8 | 73.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 539 | G | 35.6 | Very low | 37.8 | Very low | 61 Ų | 61 | 119.9 Ų | 119.9 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | 173.7 | 156.2 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 540 | S | 40.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 57.1 | 152.4 | 173.6 | 45.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 541 | N | 38 | Very low | 37.2 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | cis | -148.8 | 163.9 | -9.8 | -117.1 | 29.5 | 0 | 0 | 0 | 111.8 | ||||
| 542 | E | 37.3 | Very low | 36.9 | Very low | 179 Ų | 179 | 121.5 Ų | 121.5 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 10.8 | 146.1 | 142.3 | -56.2 | 161.4 | 160.1 | 0 | 0 | 120.4 | ||||
| 543 | G | 34.4 | Very low | 37.2 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | 151.3 | 160.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 544 | S | 37.2 | Very low | 37 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | 62.3 | 164.4 | 161.7 | -77.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 545 | V | 37.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | cis | -162.3 | 146.2 | -43 | 102.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 546 | N | 34.5 | Very low | 37 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 52.6 | 139 | 156.2 | -60.8 | -11.1 | 0 | 0 | 0 | 125.9 | ||||
| 547 | S | 36.5 | Very low | 37.1 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 87.3 | 122.3 | 127.1 | 60.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 548 | V | 32.6 | Very low | 37.1 | Very low | 150 Ų | 150 | 119 Ų | 119 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | 60.7 | 133.6 | 127.8 | -179.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 549 | G | 33.7 | Very low | 37 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | 165.3 | 61.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 550 | Q | 36.7 | Very low | 37.3 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 10.2 | 139.6 | 147.3 | -86.8 | -170.5 | 12.3 | 0 | 0 | 125.3 | ||||
| 551 | N | 33.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | trans | 85.8 | 159.2 | 134.6 | -57.5 | -12.2 | 0 | 0 | 0 | 124.3 | ||||
| 552 | H | 40.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | trans | 72.8 | 153.8 | 163.8 | -52.4 | -68 | 0 | 0 | 0 | 116.8 | ||||
| 553 | H | 41.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | cis | -173.7 | 167.4 | -17 | -101.4 | -20.6 | 0 | 0 | 0 | 108.2 | ||||
| 554 | N | 38.4 | Very low | 37.5 | Very low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | cis | -165.9 | 167.1 | -11.4 | -117.5 | -7.4 | 0 | 0 | 0 | 111.1 | ||||
| 555 | T | 38.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 64.1 | 164.8 | 155.1 | 47.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 556 | T | 39 | Very low | 37.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | cis | -157.1 | 157.6 | 10.8 | -15.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 557 | A | 38.7 | Very low | 37.3 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | 34.1 | 155.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 558 | S | 37.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | 179.5 | 141 | -18.1 | 58 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 559 | R | 35.6 | Very low | 37.1 | Very low | 235 Ų | 235 | 131.4 Ų | 131.4 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | 55.3 | 174.7 | 145.4 | -97 | 177.9 | 74.2 | 164.6 | 1.9 | 120.5 | ||||
| 560 | P | 41.4 | Very low | 36.9 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | cis | -138.7 | 175.1 | -20.6 | 34.5 | -13.5 | 0 | 0 | 0 | 118.3 | ||||
| 561 | S | 38.4 | Very low | 36.9 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 64.5 | 122.3 | 137.6 | 58.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 562 | H | 41.7 | Very low | 36.8 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | 172.9 | 126.6 | 120.4 | -98.7 | -79.9 | 0 | 0 | 0 | 107.3 | |||||
| 563 | V | 36.8 | Very low | 36.7 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | cis | 87.5 | 95.5 | 21.8 | -170.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 564 | A | 39 | Very low | 36.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -153 | 155.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 565 | K | 33.9 | Very low | 36.7 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -138.6 | 166.9 | 177.2 | -79 | -178.1 | 174.3 | 177.3 | 0 | 109.7 | ||||
| 566 | K | 34.6 | Very low | 36.8 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | 118.1 | 131.3 | 126.6 | -154.6 | -175.4 | -178.3 | -172.1 | 0 | 118.1 | |||||
| 567 | A | 34.7 | Very low | 36.8 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | 60.9 | 113.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 568 | T | 32.2 | Very low | 36.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | 47.7 | 137.6 | 108 | -26.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 569 | T | 34.2 | Very low | 36.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 119 | 146.5 | 140.1 | -35.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 570 | T | 29.7 | Very low | 36.8 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -83.9 | 156.4 | -176.3 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 571 | K | 35.3 | Very low | 36.6 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | 172.5 | 129.3 | 123.4 | -98.6 | 174.3 | 179.7 | -177.3 | 0 | 114.7 | |||||
| 572 | T | 32.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 168.8 | 144.9 | 58 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 573 | T | 38.2 | Very low | 36.1 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | cis | -159.2 | 151 | 20.2 | -26.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 574 | Q | 41.3 | Very low | 35.8 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 60.3 | 152.7 | 158.3 | -74.3 | 151.2 | -43.8 | 0 | 0 | 118 | ||||
| 575 | D | 36.9 | Very low | 35.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | cis | -149.2 | 168.8 | -10.5 | -103.9 | -28 | 0 | 0 | 0 | 106.7 | ||||
| 576 | N | 40.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | cis | -157.9 | 158.3 | 20.8 | -133.4 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 577 | T | 39.6 | Very low | 36.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 34.1 | 140.6 | 154.8 | 56.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 578 | A | 37.3 | Very low | 36.3 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | cis | -169.7 | 160.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 579 | H | 40.6 | Very low | 36.5 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | 10.9 | 127.3 | 149.4 | -60.8 | -54.9 | 0 | 0 | 0 | 120.9 | ||||
| 580 | R | 33.4 | Very low | 36.7 | Very low | 230 Ų | 230 | 130.9 Ų | 130.9 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | 73.2 | 150.3 | 83.7 | -168.7 | -162.4 | 177.5 | -149 | 1.7 | 113.3 | |||||
| 581 | P | 37.3 | Very low | 37.1 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | cis | -118.2 | -173.4 | -16.8 | 20.9 | 3.4 | 0 | 0 | 0 | 112.8 | ||||
| 582 | P | 36.4 | Very low | 37.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -82.4 | 135.6 | 162.1 | 33 | -34.1 | 0 | 0 | 0 | 113.2 | ||||
| 583 | S | 34.1 | Very low | 37.6 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -167.5 | 145.9 | 158.7 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 584 | S | 31.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -57.5 | 151.5 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 585 | K | 37.4 | Very low | 37.6 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -172.1 | 125.1 | 132.2 | -93.6 | 144.6 | -172.1 | -178.1 | 0 | 108.8 | ||||
| 586 | T | 36.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 44.5 | 134.1 | 91.4 | 26.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 587 | P | 40.2 | Very low | 37.4 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | cis | -122.1 | -176.5 | 41.4 | 20 | 3.3 | 0 | 0 | 0 | 114.1 | ||||
| 588 | A | 37.1 | Very low | 37.2 | Very low | 78 Ų | 78 | 135 Ų | 135 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | cis | -170.7 | 149.4 | -30 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 589 | S | 36.8 | Very low | 37.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | 57.9 | 143.8 | 168.3 | 48.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 590 | S | 38.8 | Very low | 37 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | cis | -146.9 | 152.9 | 7.7 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 591 | K | 37.3 | Very low | 37 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 6.2 | 137.3 | 155.9 | -51.8 | 175.2 | -177.9 | 177.7 | 0 | 117.7 | ||||
| 592 | T | 37.6 | Very low | 36.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | -159.7 | 161.4 | 52.6 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 593 | Q | 41.7 | Very low | 36.7 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 174.3 | 174.3 | -58.2 | 148.7 | -65.3 | 0 | 0 | 110.6 | ||||
| 594 | A | 39.5 | Very low | 36.5 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | cis | -160.1 | -179.1 | 13 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 595 | D | 38.9 | Very low | 36.7 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | cis | -175.4 | 179.7 | -19.9 | -109.2 | 33.8 | 0 | 0 | 0 | 105.9 | ||||
| 596 | A | 38.1 | Very low | 36.2 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | cis | 171.3 | 99.3 | -35.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 597 | K | 35.6 | Very low | 36.2 | Very low | 212 Ų | 212 | 141.4 Ų | 141.4 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -167.2 | 146.6 | 148 | -115.3 | 167.1 | -176.3 | 174.4 | 0 | 114.1 | ||||
| 598 | P | 35.4 | Very low | 35.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -113.7 | 175.8 | -168 | 12.6 | 13.1 | 0 | 0 | 0 | 115.2 | ||||
| 599 | P | 38 | Very low | 35.5 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -99.3 | -179.9 | -167.8 | 39.8 | -37.8 | 0 | 0 | 0 | 116.2 | ||||
| 600 | V | 35.2 | Very low | 35.3 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -131.6 | 151.8 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 601 | H | 34.5 | Very low | 34.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | -92.4 | 176.9 | -178.1 | -83.8 | -93.6 | 0 | 0 | 0 | 114.7 | ||||
| 602 | K | 35.4 | Very low | 34.8 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | 90 | 148.7 | 161.2 | -58.4 | -177.3 | -177.2 | 178.5 | 0 | 115.8 | ||||
| 603 | T | 31.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | cis | -164 | 156.7 | -15.6 | -94.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 604 | N | 30.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -60.8 | 140.2 | 173.8 | -66 | -2.4 | 0 | 0 | 0 | 113.4 | ||||
| 605 | Q | 35.2 | Very low | 33.8 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -139.9 | 152.7 | 152.9 | -87 | -167.5 | -12.9 | 0 | 0 | 111.1 | ||||
| 606 | V | 27 | Very low | 33.2 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -114.6 | 135 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 607 | V | 35.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -132.4 | 144.5 | 172.1 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 608 | K | 28.3 | Very low | 32.7 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -109.6 | -177.7 | 178.8 | -61 | -179.5 | 174.3 | -175.6 | 0 | 110.3 | ||||
| 609 | N | 34.8 | Very low | 32.7 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 79.4 | 147.3 | 162.8 | -54 | 0.2 | 0 | 0 | 0 | 114 | ||||
| 610 | A | 33.5 | Very low | 32.2 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | cis | -157.5 | -176.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 611 | D | 28.7 | Very low | 32 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 154.5 | -169 | -44.2 | -92.5 | 0 | 0 | 0 | 115.8 | ||||
| 612 | V | 35.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -135.8 | 126.6 | 154.8 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 613 | V | 30.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -103.5 | 140.6 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 614 | V | 37.6 | Very low | 31.4 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 144.9 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 615 | E | 31.8 | Very low | 31.2 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 158.9 | -158.3 | -61.4 | 164.9 | 110.6 | 0 | 0 | 115.3 | ||||
| 616 | S | 25.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -106.1 | 136.2 | 169.4 | -59.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 617 | P | 36.1 | Very low | 31.3 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -96.9 | 111.5 | 169.8 | 33.5 | -28.4 | 0 | 0 | 0 | 111.8 | ||||
| 618 | S | 27.8 | Very low | 30.8 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -91.9 | 150.7 | 168.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 619 | K | 35 | Very low | 31 | Very low | 213 Ų | 213 | 145.4 Ų | 145.4 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 150 | 158.1 | -81.2 | -168.9 | 172.6 | -176.1 | 0 | 110.1 | ||||
| 620 | Q | 26.5 | Very low | 30.7 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -105.6 | -167.2 | -170.4 | -57.6 | 171.6 | -75.4 | 0 | 0 | 111.2 | ||||
| 621 | L | 31.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 85.4 | 130.6 | 172.4 | -48.8 | 167 | 0 | 0 | 0 | 113 | ||||
| 622 | E | 29 | Very low | 30.8 | Very low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | cis | -152.9 | 171.7 | -4.4 | -139 | 157.4 | -159.3 | 0 | 0 | 111.5 | ||||
| 623 | V | 26.4 | Very low | 30.5 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -103.2 | 142.1 | -174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 624 | H | 33 | Very low | 30.4 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -152.3 | 126.6 | 153.5 | -123.8 | -71.6 | 0 | 0 | 0 | 112.2 | ||||
| 625 | D | 25.9 | Very low | 29.9 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 156.7 | 173.9 | -59.2 | -76.1 | 0 | 0 | 0 | 112.3 | ||||
| 626 | N | 33.1 | Very low | 29.6 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 155 | 152.1 | 153 | -83.2 | -13.4 | 0 | 0 | 0 | 109.9 | ||||
| 627 | E | 30.2 | Very low | 29.7 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | cis | -158.6 | 170.1 | -30.8 | -162.1 | 175 | -171.5 | 0 | 0 | 107 | ||||
| 628 | V | 27.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -74.5 | 139.8 | -176 | 174.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 629 | S | 32.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -156.3 | 157.6 | 154.5 | -86.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 630 | T | 27.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -110.4 | 171.6 | -158.2 | 26.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 631 | P | 34.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 163.4 | -153.6 | 37.7 | -38.3 | 0 | 0 | 0 | 116.2 | ||||
| 632 | N | 30.8 | Very low | 28.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -165.3 | 157 | 163.7 | -88.4 | -41.7 | 0 | 0 | 0 | 107.6 | ||||
| 633 | S | 28.8 | Very low | 28.4 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | cis | 167 | 105.3 | -27.1 | 53.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 634 | L | 28 | Very low | 28.3 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 64.2 | 162.9 | 163.5 | -79 | 162.3 | 0 | 0 | 0 | 116.6 | ||||
| 635 | P | 27.1 | Very low | 28 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -128 | 170 | 27.5 | 42.7 | -27.4 | 0 | 0 | 0 | 117.8 | ||||
| 636 | S | 25.5 | Very low | 28 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -82 | 122.9 | -179.6 | -24.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 637 | K | 26.8 | Very low | 27.6 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 174.8 | 116 | 145.7 | -104.4 | 171.6 | -179.3 | -177.9 | 0 | 111.7 | ||||
| 638 | L | 29.4 | Very low | 27.4 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 163 | 88.2 | 157.4 | -93 | 156.5 | 0 | 0 | 0 | 104.8 | ||||
| 639 | I | 26.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | 67.3 | 88.1 | 79.7 | -57.3 | 168.3 | 0 | 0 | 0 | 111.3 | |||||
| 640 | T | 24.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | 39.6 | 92 | 129.7 | -39.6 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 641 | E | 27 | Very low | 27 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -119.8 | 66.5 | 147.7 | -71.4 | -162.7 | 153.5 | 0 | 0 | 110.4 | S643 | E641-S643 PolarHBondContact O-N 3.34Š| ||
| 642 | S | 24.8 | Very low | 26.8 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 78% | 0.784 | S | S | * | * | trans | -64.3 | 118.9 | 159.1 | -58.8 | 0 | 0 | 0 | 0 | 108 | N644 | S642-N644 VanDerWaalsContact C-N 3.29Å; S642-N644 PolarHBondContact O-N 3.27Å | ||
| 643 | S | 27.1 | Very low | 26.9 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 83.6 | -179.3 | 60 | 0 | 0 | 0 | 0 | 111 | E641 I645 | E641-S643 PolarHBondContact O-N 3.34Å; S643-I645 PolarHBondContact O-N 2.97Å; S643-I645 VanDerWaalsContact O-N 3.1Å | ||
| 644 | N | 24.9 | Very low | 26.7 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -63.8 | 106.8 | -178.6 | -73.7 | -48.3 | 0 | 0 | 0 | 111.4 | S642 | S642-N644 VanDerWaalsContact C-N 3.29Å; S642-N644 PolarHBondContact O-N 3.27Å | ||
| 645 | I | 26 | Very low | 26.7 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -104.8 | 71.4 | 151 | -54 | -176.1 | 0 | 0 | 0 | 107.2 | S643 | S643-I645 PolarHBondContact O-N 2.97Å; S643-I645 VanDerWaalsContact O-N 3.1Å | ||
| 646 | H | 26 | Very low | 26.7 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -131 | 91.9 | 166.2 | -103.1 | 35.6 | 0 | 0 | 0 | 106.9 | ||||
| 647 | N | 25.5 | Very low | 26.9 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 172.3 | 105.4 | 152.5 | -91.6 | -33.6 | 0 | 0 | 0 | 109.6 | ||||
| 648 | I | 26.4 | Very low | 26.9 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | S | Bend | -156.8 | 117.7 | 128.4 | -97.6 | 149.9 | 0 | 0 | 0 | 106.8 | |||
| 649 | S | 25.8 | Very low | 26.7 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 50.2 | 71.1 | 157.1 | -54.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 650 | N | 25.8 | Very low | 26.7 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -112.6 | 102.4 | 145.2 | -117.5 | -8.6 | 0 | 0 | 0 | 108.8 | ||||
| 651 | N | 26.5 | Very low | 26.7 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -158.4 | 95.5 | -176 | -136.8 | -7.2 | 0 | 0 | 0 | 110.4 | ||||
| 652 | I | 30.2 | Very low | 26.6 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -177.6 | 108.3 | 142.4 | -96.6 | 155 | 0 | 0 | 0 | 111.1 | ||
| 653 | I | 31.9 | Very low | 26.5 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | 67.5 | 112.9 | 146.5 | -57.6 | 176 | 0 | 0 | 0 | 118.9 | ||||
| 654 | N | 25.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 152.2 | 162.5 | -58.4 | -24.3 | 0 | 0 | 0 | 112.2 | ||||
| 655 | G | 28.7 | Very low | 26.7 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -167.4 | 122.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 656 | D | 26 | Very low | 27 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 153.2 | 175.4 | -52 | -89.5 | 0 | 0 | 0 | 112.3 | ||||
| 657 | I | 29.4 | Very low | 27 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -173.1 | 147.4 | 132.5 | -99.4 | 153 | 0 | 0 | 0 | 111.3 | ||||
| 658 | M | 26.9 | Very low | 27.2 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -91.3 | 156.6 | -179.8 | -71.3 | -167.5 | -73 | 0 | 0 | 114.1 | ||||
| 659 | H | 26.7 | Very low | 27.3 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | 17.9 | 113.7 | 149.8 | -59.3 | -72.6 | 0 | 0 | 0 | 119.1 | ||||
| 660 | K | 25.6 | Very low | 27.4 | Very low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | 175.6 | 134.9 | 109.7 | -97.5 | 163.3 | -175.9 | 173.6 | 0 | 116.2 | |||||
| 661 | T | 24.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 7 | 141.2 | 141.2 | 54.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 662 | N | 25.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | 83.5 | 90.2 | 150 | -61.6 | -0.8 | 0 | 0 | 0 | 119.3 | ||||
| 663 | G | 22.9 | Very low | 27.7 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | 56.6 | 138.8 | 121.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 664 | F | 28.2 | Very low | 27.6 | Very low | 217 Ų | 217 | 147.5 Ų | 147.5 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | -166 | 153.1 | 126.5 | -108 | -72.4 | 0 | 0 | 0 | 110.6 | |||||
| 665 | T | 26.4 | Very low | 27.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -92.9 | 145 | 174.2 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 666 | H | 33 | Very low | 27.7 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -154.2 | 156.7 | 145.3 | -125.9 | -79.3 | 0 | 0 | 0 | 114.2 | ||||
| 667 | D | 25.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | trans | -85.5 | 156.5 | -169.7 | -91.3 | -50.7 | 0 | 0 | 0 | 116.3 | ||||
| 668 | L | 30.6 | Very low | 27.8 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 58.9 | 152.4 | 138.8 | -64.5 | 169 | 0 | 0 | 0 | 119.7 | ||||
| 669 | S | 27.6 | Very low | 27.8 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 55% | 0.552 | 80% | 0.796 | S | S | * | * | cis | -163 | -179.6 | -9.2 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 670 | D | 27.5 | Very low | 27.8 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 66 | 116.9 | 154.4 | -48.8 | -46.3 | 0 | 0 | 0 | 120.4 | ||||
| 671 | F | 31 | Very low | 27.9 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | -162 | 131.2 | 118.8 | -115.3 | -74.7 | 0 | 0 | 0 | 111.1 | |||||
| 672 | E | 26.8 | Very low | 28 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -87.8 | 157.4 | 175.9 | -98.9 | -159 | 145.3 | 0 | 0 | 113 | ||||
| 673 | P | 30.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 163.8 | 179.4 | 36 | -36 | 0 | 0 | 0 | 113.1 | ||||
| 674 | S | 29.9 | Very low | 28.3 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -136.9 | 153.4 | 165.5 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 675 | V | 27 | Very low | 28.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 133.6 | -166.6 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 676 | S | 30.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -149.4 | 169.3 | 159.6 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 677 | S | 28 | Very low | 27.9 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -134.5 | 165.4 | -146.3 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 678 | E | 28.4 | Very low | 27.8 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | 62.5 | 120.2 | 164.6 | -57 | 176.8 | -177.4 | 0 | 0 | 115.7 | ||||
| 679 | Q | 28.3 | Very low | 27.8 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | -160.5 | 165.7 | 66.8 | -90.6 | 175.8 | 0.2 | 0 | 0 | 113.4 | |||||
| 680 | T | 25 | Very low | 27.6 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 140.7 | -179.1 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 681 | N | 29.1 | Very low | 27.5 | Very low | 165 Ų | 165 | 150 Ų | 150 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 146.3 | 138.9 | -95.3 | -42.1 | 0 | 0 | 0 | 109.9 | ||||
| 682 | H | 26.2 | Very low | 27.3 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -83.3 | 133.7 | 168.2 | -77.1 | -127.1 | 0 | 0 | 0 | 108.7 | ||||
| 683 | D | 27 | Very low | 27.3 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | -175.2 | 159.7 | 127.8 | -97.4 | -26.9 | 0 | 0 | 0 | 112.2 | |||||
| 684 | L | 26.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 43.5 | 86.7 | 160.4 | -68.7 | 162.2 | 0 | 0 | 0 | 118 | T686 | L684-T686 PolarHBondContact O-N 3.43Š| ||
| 685 | L | 24.8 | Very low | 27 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 65.6 | 164.2 | -79.7 | 169.2 | 0 | 0 | 0 | 112.7 | ||||
| 686 | T | 26.2 | Very low | 27.2 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 102.9 | 152.3 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | L684 D688 | L684-T686 PolarHBondContact O-N 3.43Å; T686-D688 VanDerWaalsContact C-N 3.25Å; T686-D688 PolarHBondContact O-N 3.3Å | ||
| 687 | H | 28.3 | Very low | 27.3 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 78.4 | 176.7 | -100 | 39.4 | 0 | 0 | 0 | 111 | M689 | H687-M689 HydrophobicContact CB-CG 4.19Å; H687-M689 PolarHBondContact O-N 3.47Å | ||
| 688 | D | 25.1 | Very low | 27.2 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -78.3 | 72.3 | 165.8 | -155 | -6 | 0 | 0 | 0 | 108.6 | T686 N690 | T686-D688 VanDerWaalsContact C-N 3.25Å; T686-D688 PolarHBondContact O-N 3.3Å; D688-N690 PolarHBondContact O-N 2.99Å; D688-N690 VanDerWaalsContact O-N 3.1Å | ||
| 689 | M | 29 | Very low | 27.2 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 70% | 0.7 | 75% | 0.753 | S | S | * | * | trans | -74 | 101.4 | -175.3 | -79.1 | -66.1 | -71 | 0 | 0 | 109.9 | H687 L691 | H687-M689 HydrophobicContact CB-CG 4.19Å; H687-M689 PolarHBondContact O-N 3.47Å; M689-L691 PolarHBondContact O-N 2.87Å | ||
| 690 | N | 24.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | -46 | 120.8 | 179.5 | -87.8 | -84.4 | 0 | 0 | 0 | 112 | D688 M692 | D688-N690 PolarHBondContact O-N 2.99Å; D688-N690 VanDerWaalsContact O-N 3.1Å; N690-M692 PolarHBondContact O-N 3.39Å | ||
| 691 | L | 25.6 | Very low | 27.9 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -63.4 | 94.1 | -177.8 | -173.6 | 72.3 | 0 | 0 | 0 | 111.1 | M689 K693 | M689-L691 PolarHBondContact O-N 2.87Å; L691-K693 PolarHBondContact O-N 2.68Å | ||
| 692 | M | 26.9 | Very low | 28.3 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 85% | 0.847 | 69% | 0.689 | S | S | * | * | trans | -58.7 | 132.2 | 163.5 | -86.8 | -164.2 | 167.3 | 0 | 0 | 109 | N690 L694 | N690-M692 PolarHBondContact O-N 3.39Å; M692-L694 VanDerWaalsContact C-N 3.34Å; M692-L694 PolarHBondContact O-N 3.39Å | ||
| 693 | K | 26.2 | Very low | 28.5 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | trans | -68.6 | 81.8 | -175.1 | -74.9 | -176.5 | 162.3 | -139.8 | 0 | 112.9 | L691 Q695 | L691-K693 PolarHBondContact O-N 2.68Å; K693-Q695 HydrophobicContact CB-CB 4.32Å; K693-Q695 VanDerWaalsContact CE-OE1 3.3Å; K693-Q695 PolarHBondContact O-N 2.93Å; K693-Q695 VanDerWaalsContact O-N 3.11Å | ||
| 694 | L | 27.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | trans | -80.6 | 64.7 | 155 | -84.3 | 165.6 | 0 | 0 | 0 | 109.2 | M692 D696 | M692-L694 VanDerWaalsContact C-N 3.34Å; M692-L694 PolarHBondContact O-N 3.39Å; L694-D696 VanDerWaalsContact C-N 3.27Å; L694-D696 PolarHBondContact O-N 2.99Å | ||
| 695 | Q | 26.7 | Very low | 29.1 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 6.4 | -169.6 | -150.3 | 163.5 | 1.7 | 0 | 0 | 113.3 | K693 | K693-Q695 HydrophobicContact CB-CB 4.32Å; K693-Q695 VanDerWaalsContact CE-OE1 3.3Å; K693-Q695 PolarHBondContact O-N 2.93Å; K693-Q695 VanDerWaalsContact O-N 3.11Å |
| 696 | D | 29.5 | Very low | 29.9 | Very low | 158 Ų | 158 | 114.8 Ų | 114.8 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -2.2 | -175.2 | -69.9 | -49.8 | 0 | 0 | 0 | 115 | L694 S698 | L694-D696 VanDerWaalsContact C-N 3.27Å; L694-D696 PolarHBondContact O-N 2.99Å; D696-S698 VanDerWaalsContact C-N 3.25Å; D696-S698 PolarHBondContact O-N 3.24Å |
| 697 | Y | 32.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 48% | 0.478 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -79.8 | 80.1 | 162.5 | -87.3 | -77.1 | 0 | 0 | 0 | 109.3 | E699 | Y697-E699 PolarHBondContact O-N 3.49Š|
| 698 | S | 27.6 | Very low | 30.9 | Very low | 85 Ų | 85 | 110.9 Ų | 110.9 | 59% | 0.594 | 58% | 0.579 | S | S | * | * | trans | -56.1 | 131 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | D696 N700 | D696-S698 VanDerWaalsContact C-N 3.25Å; D696-S698 PolarHBondContact O-N 3.24Å; S698-N700 PolarHBondContact O-N 3.27Å | ||
| 699 | E | 28.6 | Very low | 31.3 | Very low | 160 Ų | 160 | 108.1 Ų | 108.1 | 75% | 0.748 | 57% | 0.565 | S | S | * | * | trans | -63.3 | 106.3 | 168.9 | -69.8 | -172.7 | 141.6 | 0 | 0 | 108.9 | Y697 V701 | Y697-E699 PolarHBondContact O-N 3.49Å; E699-V701 HydrophobicContact CB-CG2 4.36Å; E699-V701 PolarHBondContact O-N 2.94Å | ||
| 700 | N | 33.4 | Very low | 31.4 | Very low | 85 Ų | 85 | 104 Ų | 104 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | trans | -73.7 | 72.3 | 177.7 | -79.1 | -41.7 | 0 | 0 | 0 | 110.9 | S698 L702 A942 | S698-N700 PolarHBondContact O-N 3.27Å; N700-L702 PolarHBondContact O-N 3.32Å; N700-A942 PolarHBondContact ND2-O 2.92Å | ||
| 701 | V | 33.1 | Very low | 31.7 | Very low | 73 Ų | 73 | 103.4 Ų | 103.4 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | trans | -65.7 | 95.4 | 172.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | E699 I703 | E699-V701 HydrophobicContact CB-CG2 4.36Å; E699-V701 PolarHBondContact O-N 2.94Å; V701-I703 PolarHBondContact O-N 2.97Å | ||
| 702 | L | 38.2 | Very low | 32.1 | Very low | 52 Ų | 52 | 101.5 Ų | 101.5 | 27% | 0.272 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.5 | -179 | -97.9 | 150.3 | 0 | 0 | 0 | 110.9 | N700 A704 Y970 R971 | N700-L702 PolarHBondContact O-N 3.32Å; L702-A704 PolarHBondContact O-N 2.87Å; L702-Y970 HydrophobicContact CD1-CD2 4.08Å; L702-Y970 HydrophobicContact CD1-CE2 3.38Å; L702-R971 WeakPolarHBondContact CD1-O 3.5Å |
| 703 | I | 30.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 101.4 Ų | 101.4 | 54% | 0.544 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 111.2 | 175.9 | -56.2 | 174.8 | 0 | 0 | 0 | 109.4 | V701 A705 L953 | V701-I703 PolarHBondContact O-N 2.97Å; I703-A705 VanDerWaalsContact C-N 3.3Å; I703-A705 HydrophobicContact CG2-CB 4.45Å; I703-A705 PolarHBondContact O-N 3.34Å; I703-L953 HydrophobicContact CG2-CD1 3.81Å |
| 704 | A | 35.5 | Very low | 32.6 | Very low | 7 Ų | 7 | 100.9 Ų | 100.9 | 6% | 0.058 | 55% | 0.545 | C | S | . | . | trans | -77.1 | 78.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | L702 D706 Q951 | L702-A704 PolarHBondContact O-N 2.87Å; A704-D706 VanDerWaalsContact C-N 3.26Å; A704-D706 PolarHBondContact O-N 2.69Å; A704-Q951 WeakPolarHBondContact CB-O 3.35Å | ||
| 705 | A | 30.5 | Very low | 33 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 69% | 0.686 | 56% | 0.556 | S | S | * | * | trans | -80.9 | 62.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I703 | I703-A705 VanDerWaalsContact C-N 3.3Å; I703-A705 HydrophobicContact CG2-CB 4.45Å; I703-A705 PolarHBondContact O-N 3.34Å | ||
| 706 | D | 40.9 | Very low | 33.2 | Very low | 12 Ų | 12 | 100 Ų | 100 | 6% | 0.064 | 56% | 0.559 | C | S | . | * | trans | -98 | 132.9 | 170.1 | -77.3 | -65.6 | 0 | 0 | 0 | 110.5 | S251 A704 L708 R971 | S251-D706 PolarHBondContact N-OD1 3.37Å; S251-D706 PolarHBondContact OG-OD1 3.18Å; A704-D706 VanDerWaalsContact C-N 3.26Å; A704-D706 PolarHBondContact O-N 2.69Å; D706-L708 PolarHBondContact O-N 2.86Å; D706-R971 IonicContact OD2-CZ 3.39Å; D706-R971 IonicContact OD2-NH1 2.79Å; D706-R971 PolarHBondContact OD2-NH1 3.09Å; D706-R971 IonicContact OD2-NH2 3.8Å; D706-R971 PolarHBondContact OD2-NH2 3.33Å | ||
| 707 | N | 38.1 | Very low | 33.4 | Very low | 142 Ų | 142 | 97.8 Ų | 97.8 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | trans | -65.2 | 114.2 | -167.9 | -71.1 | -38.9 | 0 | 0 | 0 | 113.6 | ||||
| 708 | L | 37.8 | Very low | 33.3 | Very low | 32 Ų | 32 | 98.8 Ų | 98.8 | 17% | 0.168 | 56% | 0.564 | C | S | . | * | trans | -73.5 | 135.3 | 166.6 | -54.3 | 173.4 | 0 | 0 | 0 | 108.9 | L246 D706 E955 | L246-L708 HydrophobicContact CB-CD2 4.02Å; L246-L708 HydrophobicContact CD1-CB 4.28Å; L246-L708 HydrophobicContact CD1-CD1 4.19Å; L246-L708 HydrophobicContact CD1-CD2 4.47Å; D706-L708 PolarHBondContact O-N 2.86Å; L708-E955 HydrophobicContact CD1-CB 4.35Å; L708-E955 HydrophobicContact CD1-CG 4.05Å | ||
| 709 | N | 33.5 | Very low | 33.4 | Very low | 92 Ų | 92 | 101.7 Ų | 101.7 | 49% | 0.492 | 57% | 0.573 | S | S | . | * | trans | -115.8 | 99.1 | -177.9 | -177 | 99.1 | 0 | 0 | 0 | 111.2 | N711 | N709-N711 PolarHBondContact ND2-OD1 2.84Š| ||
| 710 | S | 32 | Very low | 33.5 | Very low | 56 Ų | 56 | 100.4 Ų | 100.4 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | trans | -87.7 | 104.1 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | N712 | S710-N712 PolarHBondContact O-N 3.27Š| ||
| 711 | N | 30.5 | Very low | 33.5 | Very low | 141 Ų | 141 | 101.4 Ų | 101.4 | 75% | 0.754 | 59% | 0.59 | S | S | * | * | trans | -73.3 | 85.7 | 170.2 | -80.2 | 4.8 | 0 | 0 | 0 | 110.9 | N709 | N709-N711 PolarHBondContact ND2-OD1 2.84Š| ||
| 712 | N | 33.9 | Very low | 33.4 | Very low | 128 Ų | 128 | 105.1 Ų | 105.1 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | trans | -126.1 | 112.6 | 162.6 | -86.4 | -1.3 | 0 | 0 | 0 | 108.9 | S710 D714 | S710-N712 PolarHBondContact O-N 3.27Å; N712-D714 PolarHBondContact O-N 3.01Å | ||
| 713 | N | 32.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 108.3 Ų | 108.3 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | -86.9 | 99.3 | 169.9 | -82 | -9.9 | 0 | 0 | 0 | 109.5 | ||||
| 714 | D | 31.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 109.5 Ų | 109.5 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | trans | -128.2 | 97.5 | 162.4 | -93 | -47.8 | 0 | 0 | 0 | 109.2 | N712 | N712-D714 PolarHBondContact O-N 3.01Š| ||
| 715 | T | 35.3 | Very low | 33.3 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | trans | -85.6 | 123 | 168.1 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 716 | S | 30.9 | Very low | 33.3 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | trans | -59 | 168.9 | 158.3 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 717 | V | 33.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | cis | -162 | 166.4 | 44.5 | -137.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 718 | N | 32.4 | Very low | 32.5 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | trans | 88.9 | 133.5 | 147.8 | -68.2 | -28.6 | 0 | 0 | 0 | 121.1 | ||||
| 719 | N | 28.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -50.9 | 155.7 | 152.4 | -51.4 | -53.8 | 0 | 0 | 0 | 109.7 | ||||
| 720 | T | 31.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | -162.9 | 173.6 | 54.2 | -44.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 721 | S | 33.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -54.9 | 150.8 | -176.5 | 53.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 722 | N | 30.2 | Very low | 32.3 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -31.1 | 139.8 | 160.7 | -58.9 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 723 | T | 35.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | -163.6 | 142.2 | 72.6 | 40.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 724 | N | 32.7 | Very low | 32.2 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 116 | 137.5 | -62.3 | -0.4 | 0 | 0 | 0 | 122.5 | ||||
| 725 | N | 33.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 80.2 | 125 | 132.3 | -58.4 | -11.6 | 0 | 0 | 0 | 120.8 | ||||
| 726 | N | 29.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | 43 | 132.1 | 129.2 | -58.5 | -16 | 0 | 0 | 0 | 118.8 | |||||
| 727 | L | 31 | Very low | 32.3 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | cis | -172.8 | 139.1 | 40.8 | -160 | 75.1 | 0 | 0 | 0 | 111.8 | ||||
| 728 | K | 31.4 | Very low | 32.2 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | trans | 61.3 | 143.6 | 142.6 | -85.3 | 175.9 | 144.9 | -100.2 | 0 | 125.3 | ||||
| 729 | D | 32.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | trans | 77.5 | 93.2 | 134.9 | -60.9 | -5.6 | 0 | 0 | 0 | 122.1 | ||||
| 730 | S | 31.3 | Very low | 33.2 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | 112.6 | 148.2 | 105.7 | -68.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 731 | N | 33.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 74.5 | 97 | 167.6 | -55 | -28.3 | 0 | 0 | 0 | 116.5 | ||||
| 732 | Q | 32.3 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | 78.9 | 111.1 | 70.7 | -76.8 | -168.9 | 37 | 0 | 0 | 115.2 | |||||
| 733 | M | 32.4 | Very low | 35.1 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 96% | 0.956 | 75% | 0.747 | S | S | * | * | -155.7 | 160.1 | 122.2 | -99.2 | -178.9 | 82.4 | 0 | 0 | 108.5 | |||||
| 734 | M | 30.9 | Very low | 35.5 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | -100.9 | 148.8 | -157.7 | -65.4 | -145.5 | -172.1 | 0 | 0 | 116.5 | ||||
| 735 | S | 32 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -154.9 | 113.1 | 153.5 | -78.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 736 | P | 36.3 | Very low | 37 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -99.2 | 159.1 | 162.5 | 37 | -30.6 | 0 | 0 | 0 | 111.1 | ||||
| 737 | G | 33.1 | Very low | 37.2 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | cis | -164.9 | 172.4 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 738 | L | 31.3 | Very low | 37.8 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 93% | 0.927 | 73% | 0.731 | S | S | * | * | trans | -108.3 | 123.4 | 176.5 | -78.2 | 164.2 | 0 | 0 | 0 | 109.4 | ||||
| 739 | D | 40.7 | Very low | 38.4 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -101.3 | 151.2 | 167 | -76.3 | -41.3 | 0 | 0 | 0 | 110.6 | ||||
| 740 | E | 40.4 | Very low | 38.6 | Very low | 197 Ų | 197 | 131 Ų | 131 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | trans | -83.5 | 116 | -162.9 | -166.1 | 168.7 | -172.5 | 0 | 0 | 112.3 | D742 | E740-D742 PolarHBondContact O-N 3.19Š| ||
| 741 | Y | 43.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -87.2 | 98.4 | -179.9 | -178.3 | -97.1 | 0 | 0 | 0 | 111.5 | P743 S746 | Y741-P743 HydrophobicContact CE1-CB 3.93Å; Y741-P743 WeakPolarHBondContact O-CD 3.22Å; Y741-S746 PolarHBondContact OH-OG 2.94Å; Y741-S746 VanDerWaalsContact OH-OG 3.05Å | ||
| 742 | D | 51.1 | Low | 39.3 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 43% | 0.428 | 76% | 0.757 | S | S | . | * | trans | -75.7 | 114.8 | 164.8 | 174.4 | 17.9 | 0 | 0 | 0 | 110.3 | E740 I744 A745 | E740-D742 PolarHBondContact O-N 3.19Å; D742-I744 PolarHBondContact O-N 2.79Å; D742-I744 WeakPolarHBondContact OD1-CB 3.48Å; D742-I744 PolarHBondContact OD1-N 2.81Å; D742-A745 HydrophobicContact CB-CB 4.07Å; D742-A745 WeakPolarHBondContact OD2-CB 3.42Å; D742-A745 PolarHBondContact OD2-N 3.35Å; D742-A745 VanDerWaalsContact OD2-N 3.11Å | ||
| 743 | P | 41 | Very low | 39.6 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 48% | 0.481 | 76% | 0.757 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -11 | 177.8 | 31.3 | -36.7 | 0 | 0 | 0 | 113.8 | Y741 S746 W747 | Y741-P743 HydrophobicContact CE1-CB 3.93Å; Y741-P743 WeakPolarHBondContact O-CD 3.22Å; P743-S746 PolarHBondContact O-OG 3.22Å; P743-W747 PolarHBondContact O-NE1 2.87Å; P743-W747 VanDerWaalsContact O-NE1 3.11Å |
| 744 | I | 45.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -40.2 | 177.9 | -60.2 | 175.5 | 0 | 0 | 0 | 110.4 | D742 S746 W747 | D742-I744 PolarHBondContact O-N 2.79Å; D742-I744 WeakPolarHBondContact OD1-CB 3.48Å; D742-I744 PolarHBondContact OD1-N 2.81Å; I744-S746 PolarHBondContact O-N 2.96Å; I744-W747 PolarHBondContact O-N 3.35Å |
| 745 | A | 54.3 | Low | 40.2 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D742 | D742-A745 HydrophobicContact CB-CB 4.07Å; D742-A745 WeakPolarHBondContact OD2-CB 3.42Å; D742-A745 PolarHBondContact OD2-N 3.35Å; D742-A745 VanDerWaalsContact OD2-N 3.11Å |
| 746 | S | 42.4 | Very low | 40.5 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 46% | 0.455 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -10.7 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | Y741 P743 I744 G748 | Y741-S746 PolarHBondContact OH-OG 2.94Å; Y741-S746 VanDerWaalsContact OH-OG 3.05Å; P743-S746 PolarHBondContact O-OG 3.22Å; I744-S746 PolarHBondContact O-N 2.96Å; S746-G748 PolarHBondContact O-N 3.09Å; S746-G748 VanDerWaalsContact O-N 3.13Å |
| 747 | W | 33.6 | Very low | 40.8 | Very low | 215 Ų | 215 | 128.3 Ų | 128.3 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -86.2 | 84.5 | 177.3 | -70.3 | 42.8 | 0 | 0 | 0 | 109.6 | P743 I744 | P743-W747 PolarHBondContact O-NE1 2.87Å; P743-W747 VanDerWaalsContact O-NE1 3.11Å; I744-W747 PolarHBondContact O-N 3.35Å |
| 748 | G | 43.5 | Very low | 41.2 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53 | 149.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S746 | S746-G748 PolarHBondContact O-N 3.09Å; S746-G748 VanDerWaalsContact O-N 3.13Å |
| 749 | S | 45.1 | Very low | 41.7 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -46.9 | 131.6 | -171.1 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | Q751 | S749-Q751 PolarHBondContact O-N 3.25Å; S749-Q751 VanDerWaalsContact O-N 3.11Å |
| 750 | P | 37 | Very low | 41.8 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.6 | -169.5 | 21.4 | -33 | 0 | 0 | 0 | 111 | N752 | P750-N752 PolarHBondContact O-N 3.13Å; P750-N752 VanDerWaalsContact O-N 3.13Å |
| 751 | Q | 41.7 | Very low | 41.7 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -69 | 112.2 | 178.9 | -66.4 | -174.4 | 2.1 | 0 | 0 | 108.9 | S749 L753 | S749-Q751 PolarHBondContact O-N 3.25Å; S749-Q751 VanDerWaalsContact O-N 3.11Å; Q751-L753 PolarHBondContact O-N 3.32Å | ||
| 752 | N | 37.7 | Very low | 41.1 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | trans | -54.4 | 114.3 | 179.6 | -68.4 | -69.7 | 0 | 0 | 0 | 110.4 | P750 | P750-N752 PolarHBondContact O-N 3.13Å; P750-N752 VanDerWaalsContact O-N 3.13Å | ||
| 753 | L | 37.4 | Very low | 40.5 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 138.1 | 169.1 | -71.1 | 170.3 | 0 | 0 | 0 | 108.9 | Q751 L755 | Q751-L753 PolarHBondContact O-N 3.32Å; L753-L755 PolarHBondContact O-N 2.84Å |
| 754 | P | 37.1 | Very low | 40.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.6 | 179.2 | 26.2 | -33.4 | 0 | 0 | 0 | 109.9 | ||
| 755 | L | 39.7 | Very low | 39.9 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 137.6 | 173.4 | -75.6 | 161.4 | 0 | 0 | 0 | 110.2 | L753 | L753-L755 PolarHBondContact O-N 2.84Š|
| 756 | P | 37.5 | Very low | 39.1 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 139.7 | 177.5 | 25.5 | -33.6 | 0 | 0 | 0 | 110 | T758 | P756-T758 PolarHBondContact O-N 2.68Š|
| 757 | P | 43.2 | Very low | 38.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 112.4 | -170.9 | 25.3 | -34.3 | 0 | 0 | 0 | 111.4 | ||||
| 758 | T | 42.3 | Very low | 38.8 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -60.6 | 143.2 | 171.8 | 48.1 | 0 | 0 | 0 | 0 | 111 | P756 | P756-T758 PolarHBondContact O-N 2.68Š| ||
| 759 | G | 41.5 | Very low | 38.4 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -61.3 | 156.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E761 | G759-E761 PolarHBondContact O-N 3.41Š| ||
| 760 | P | 43 | Very low | 37.9 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -73 | 112.6 | -173.6 | 28.8 | -34.6 | 0 | 0 | 0 | 112.5 | ||||
| 761 | E | 37.5 | Very low | 37.9 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 160.2 | 165.8 | -82.3 | -146.9 | 124.1 | 0 | 0 | 112.9 | G759 G763 | G759-E761 PolarHBondContact O-N 3.41Å; E761-G763 PolarHBondContact O-N 3.18Å; E761-G763 VanDerWaalsContact O-N 3.13Å | ||
| 762 | V | 31.5 | Very low | 37.4 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -83.6 | 88.3 | -172.7 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 763 | G | 37.6 | Very low | 37.2 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -82.5 | 138 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | E761 | E761-G763 PolarHBondContact O-N 3.18Å; E761-G763 VanDerWaalsContact O-N 3.13Å | ||
| 764 | K | 37.1 | Very low | 37.1 | Very low | 205 Ų | 205 | 126.9 Ų | 126.9 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -94.6 | 161.5 | 174.9 | -70.7 | 173.7 | -178.8 | 168 | 0 | 112 | ||||
| 765 | K | 36.4 | Very low | 37 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -34.5 | 159.5 | 162.8 | -95.6 | -164.9 | 173.4 | -165.4 | 0 | 114.9 | E767 | K765-E767 HydrophobicContact CD-CG 4.44Å; K765-E767 VanDerWaalsContact CE-OE1 3.32Å; K765-E767 WeakPolarHBondContact CE-OE1 3.13Å; K765-E767 IonicContact NZ-OE1 2.97Å; K765-E767 PolarHBondContact NZ-OE1 2.87Å | ||
| 766 | P | 38 | Very low | 36.8 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -130.2 | 159.2 | 25.7 | 41.2 | -24.2 | 0 | 0 | 0 | 115.4 | ||||
| 767 | E | 35.8 | Very low | 36.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | 59.1 | 142.6 | 95.6 | -41.4 | 174.8 | -177.9 | 0 | 0 | 115.1 | K765 | K765-E767 HydrophobicContact CD-CG 4.44Å; K765-E767 VanDerWaalsContact CE-OE1 3.32Å; K765-E767 WeakPolarHBondContact CE-OE1 3.13Å; K765-E767 IonicContact NZ-OE1 2.97Å; K765-E767 PolarHBondContact NZ-OE1 2.87Å | |||
| 768 | T | 33.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -163.7 | 158.9 | 13.7 | -144.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 769 | I | 36.6 | Very low | 36 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 59 | 127.7 | 160.5 | -63.5 | 171.4 | 0 | 0 | 0 | 117.9 | ||||
| 770 | A | 33.9 | Very low | 35.6 | Very low | 83 Ų | 83 | 134 Ų | 134 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | cis | 93.9 | 110.9 | 10.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 771 | T | 36 | Very low | 35.3 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -164.9 | 121.4 | 149.5 | 40.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 772 | T | 32.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | cis | 90.2 | 114.6 | 43.3 | 63.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 773 | N | 33.7 | Very low | 35.3 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -164.8 | 148.4 | 144.4 | -83.9 | -35.2 | 0 | 0 | 0 | 105.1 | ||||
| 774 | G | 35.1 | Very low | 35.2 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | cis | 124 | 129 | 20.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 775 | E | 35.7 | Very low | 34.8 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -156.5 | 154.8 | 10.5 | -63.1 | -161.2 | 105 | 0 | 0 | 115.2 | ||||
| 776 | K | 34.1 | Very low | 34.8 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | trans | 34.2 | 123.6 | 135.4 | -54.9 | 162.8 | -175.7 | 159.7 | 0 | 122.4 | ||||
| 777 | K | 35.9 | Very low | 34.6 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | 169.4 | 129.4 | 114.3 | -89.5 | 157.4 | -171.2 | 174.8 | 0 | 110.1 | |||||
| 778 | S | 35.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | 76 | 127.7 | 69.1 | -160.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 779 | A | 34.9 | Very low | 34.9 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | -161.3 | -179 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 780 | S | 32.7 | Very low | 35 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -52.4 | 150.6 | 179 | 51.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 781 | H | 38 | Very low | 35.1 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | 179.7 | 160.2 | 110.7 | -110.1 | -85.4 | 0 | 0 | 0 | 116.3 | |||||
| 782 | L | 35.4 | Very low | 35.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 76.8 | 136.3 | 149.8 | -110.4 | 66 | 0 | 0 | 0 | 124.2 | ||||
| 783 | T | 32.7 | Very low | 35.6 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 161.7 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 784 | R | 35.1 | Very low | 35.6 | Very low | 221 Ų | 221 | 134.6 Ų | 134.6 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | 165.1 | 120.9 | 114 | 169.3 | 177.7 | -87.6 | -163 | -3.3 | 115.6 | |||||
| 785 | R | 30.6 | Very low | 35.8 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 166.2 | 157 | -84.4 | 179.2 | 178.1 | 170.2 | -0.6 | 116.3 | ||||
| 786 | V | 36 | Very low | 35.8 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | cis | -131.4 | 158.8 | 34.9 | 174.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 787 | T | 33.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -110.1 | 146.5 | 177.7 | 49.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 788 | S | 39.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -133.9 | 149.7 | 152.1 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 789 | V | 34.8 | Very low | 35.7 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -131.4 | 154.5 | -177.7 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 790 | N | 38.7 | Very low | 35.7 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -157.9 | 153.3 | 136.9 | -104.5 | -13.6 | 0 | 0 | 0 | 111.6 | ||||
| 791 | S | 37.2 | Very low | 35.7 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 177.5 | -175.6 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 792 | S | 39.5 | Very low | 35.7 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -163 | 161.7 | 27.4 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 793 | S | 39.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 54.7 | 134.1 | 150.7 | 55.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 794 | G | 34.4 | Very low | 35.5 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | 159 | 154.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 795 | S | 39 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 61.3 | 142.9 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 796 | T | 36.1 | Very low | 35.3 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | cis | -153 | 168 | -5.4 | 2.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 797 | A | 34.5 | Very low | 34.8 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -61.7 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 798 | L | 34.1 | Very low | 34.7 | Very low | 168 Ų | 168 | 126 Ų | 126 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | cis | -129.3 | 165.2 | 15.5 | -59.5 | 86.2 | 0 | 0 | 0 | 109.4 | ||||
| 799 | G | 33.4 | Very low | 34.1 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | cis | 83 | 136.6 | 47.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 800 | A | 34.6 | Very low | 34.2 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -167.8 | 157.4 | -10.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 801 | T | 33.6 | Very low | 33.8 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 66.4 | 128.6 | 153.7 | 50.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 802 | K | 37.6 | Very low | 33.5 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | 89.3 | 98.1 | 131 | -78.5 | 176.9 | 179.7 | 179.9 | 0 | 122.5 | ||||
| 803 | T | 32.1 | Very low | 33 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | 56.5 | 104.8 | 124.7 | 57.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 804 | G | 32.1 | Very low | 32.4 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -170 | 97.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 805 | R | 31.6 | Very low | 32.2 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | 42.7 | 85.3 | 153.5 | -153.7 | 179.6 | -156.9 | 173.7 | 5 | 117 | S807 | R805-S807 PolarHBondContact O-N 3.06Å; R805-S807 VanDerWaalsContact O-N 3.08Å | ||
| 806 | L | 28.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -70.2 | 101.3 | 174.2 | -68.1 | 172.9 | 0 | 0 | 0 | 112.1 | L808 | L806-L808 HydrophobicContact CB-CD1 4.47Å; L806-L808 HydrophobicContact CD2-CD1 3.74Å | ||
| 807 | S | 27.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -123.8 | 85.4 | 160.6 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | R805 | R805-S807 PolarHBondContact O-N 3.06Å; R805-S807 VanDerWaalsContact O-N 3.08Å | ||
| 808 | L | 30.3 | Very low | 31 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | -98.9 | 98.2 | -177.4 | -90.4 | 68.9 | 0 | 0 | 0 | 111.3 | L806 | L806-L808 HydrophobicContact CB-CD1 4.47Å; L806-L808 HydrophobicContact CD2-CD1 3.74Å | ||
| 809 | A | 26.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -93.9 | 114.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | R811 | A809-R811 PolarHBondContact O-N 2.67Å; A809-R811 VanDerWaalsContact O-N 3.14Å | ||
| 810 | P | 36.9 | Very low | 30.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 111.8 | 176 | -17.8 | 31.5 | 0 | 0 | 0 | 109.9 | ||||
| 811 | R | 31.9 | Very low | 30.4 | Very low | 241 Ų | 241 | 136.9 Ų | 136.9 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -73 | 143 | 165.4 | -96.1 | -176.4 | 168.6 | 176.6 | -4.1 | 109.5 | A809 G813 | A809-R811 PolarHBondContact O-N 2.67Å; A809-R811 VanDerWaalsContact O-N 3.14Å; R811-G813 PolarHBondContact O-N 2.77Å | ||
| 812 | V | 29.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | trans | -55.3 | 127.1 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 813 | G | 29.5 | Very low | 31 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | -134.9 | 126.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | R811 | R811-G813 PolarHBondContact O-N 2.77Š| ||
| 814 | G | 25.7 | Very low | 32.1 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -71.1 | 136.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 815 | I | 31.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -128.3 | 141.1 | 162.3 | -62 | -179.5 | 0 | 0 | 0 | 106.6 | ||||
| 816 | H | 30.5 | Very low | 35.8 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | trans | -64 | 134.7 | -171 | -65.7 | -95.3 | 0 | 0 | 0 | 112.6 | N818 | H816-N818 PolarHBondContact O-N 2.98Å; H816-N818 VanDerWaalsContact O-N 3.15Å | ||
| 817 | S | 27.1 | Very low | 38.4 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -81.4 | 86.5 | -178.2 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | T819 | S817-T819 PolarHBondContact O-N 3.25Å; S817-T819 VanDerWaalsContact O-N 3.13Å | ||
| 818 | N | 25.9 | Very low | 41.2 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | trans | -81 | 74.6 | 159.8 | -94.7 | 13.6 | 0 | 0 | 0 | 109.5 | H816 S820 | H816-N818 PolarHBondContact O-N 2.98Å; H816-N818 VanDerWaalsContact O-N 3.15Å; N818-S820 PolarHBondContact O-N 3.42Å | ||
| 819 | T | 28.5 | Very low | 44 | Very low | 99 Ų | 99 | 110.9 Ų | 110.9 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | trans | -77.2 | 72.2 | 179.4 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | S817 N821 | S817-T819 PolarHBondContact O-N 3.25Å; S817-T819 VanDerWaalsContact O-N 3.13Å; T819-N821 VanDerWaalsContact C-N 3.33Å; T819-N821 WeakPolarHBondContact CG2-OD1 3.47Å; T819-N821 PolarHBondContact O-N 2.94Å | ||
| 820 | S | 27.2 | Very low | 47 | Very low | 95 Ų | 95 | 107.2 Ų | 107.2 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | trans | -73.7 | 87.2 | 172 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | N818 Q822 | N818-S820 PolarHBondContact O-N 3.42Å; S820-Q822 PolarHBondContact O-N 3.21Å | ||
| 821 | N | 34.7 | Very low | 49.4 | Very low | 148 Ų | 148 | 101.9 Ų | 101.9 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | -74.2 | 54.6 | 173.2 | -77.3 | -6.2 | 0 | 0 | 0 | 111.4 | T819 | T819-N821 VanDerWaalsContact C-N 3.33Å; T819-N821 WeakPolarHBondContact CG2-OD1 3.47Å; T819-N821 PolarHBondContact O-N 2.94Å | ||
| 822 | Q | 34 | Very low | 51.8 | Low | 160 Ų | 160 | 92.8 Ų | 92.8 | 75% | 0.748 | 56% | 0.557 | S | S | * | * | trans | -75.7 | 136.2 | 160.1 | -75.7 | -157.9 | -28.2 | 0 | 0 | 109 | S820 | S820-Q822 PolarHBondContact O-N 3.21Š| ||
| 823 | P | 48.2 | Very low | 54.5 | Low | 109 Ų | 109 | 85.6 Ų | 85.6 | 71% | 0.708 | 51% | 0.514 | S | S | * | . | trans | -61.2 | 142.6 | 175.6 | 26 | -33.7 | 0 | 0 | 0 | 110.3 | T825 | P823-T825 VanDerWaalsContact C-N 3.31Å; P823-T825 PolarHBondContact O-N 3.08Å; P823-T825 PolarHBondContact O-OG1 3.1Å | ||
| 824 | V | 56.6 | Low | 56.9 | Low | 83 Ų | 83 | 83 Ų | 83 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -74.7 | 86.4 | 176.8 | 164.5 | 0 | 0 | 0 | 0 | 108.9 | Y826 P838 | V824-Y826 HydrophobicContact CG1-CD2 4.29Å; V824-Y826 HydrophobicContact CG1-CE1 4.37Å; V824-Y826 HydrophobicContact CG1-CE2 3.55Å; V824-P838 HydrophobicContact CB-CB 4.3Å; V824-P838 HydrophobicContact CB-CG 4.34Å; V824-P838 HydrophobicContact CG1-CB 3.81Å; V824-P838 HydrophobicContact CG1-CG 3.62Å; V824-P838 HydrophobicContact CG2-CB 4.05Å; V824-P838 HydrophobicContact CG2-CG 3.9Å | ||
| 825 | T | 65.9 | Low | 58.9 | Low | 90 Ų | 90 | 80.6 Ų | 80.6 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 122.2 | 178.3 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | P823 G839 | P823-T825 VanDerWaalsContact C-N 3.31Å; P823-T825 PolarHBondContact O-N 3.08Å; P823-T825 PolarHBondContact O-OG1 3.1Å; T825-G839 PolarHBondContact O-N 3.14Å; T825-G839 VanDerWaalsContact O-N 3.1Å |
| 826 | Y | 74.9 | Confident | 60.4 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 21% | 0.208 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 162.5 | 166.4 | -61.5 | -77.4 | 0 | 0 | 0 | 110 | V824 Y830 I832 H836 | V824-Y826 HydrophobicContact CG1-CD2 4.29Å; V824-Y826 HydrophobicContact CG1-CE1 4.37Å; V824-Y826 HydrophobicContact CG1-CE2 3.55Å; Y826-Y830 WeakPolarHBondContact CB-O 3.38Å; Y826-I832 WeakPolarHBondContact OH-CB 3.21Å; Y826-H836 HydrophobicContact CD1-CB 3.92Å; Y826-H836 HydrophobicContact CE1-CB 3.96Å |
| 827 | P | 83.7 | Confident | 61.5 | Low | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.143 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 153.2 | 167 | -22.4 | 34 | 0 | 0 | 0 | 111.9 | G829 Y830 T840 | P827-G829 PolarHBondContact O-N 2.77Å; P827-Y830 HydrophobicContact CB-CD2 4.05Å; P827-Y830 WeakPolarHBondContact O-CB 3.16Å; P827-Y830 PolarHBondContact O-N 3.28Å; P827-T840 WeakPolarHBondContact CG-O 3.39Å |
| 828 | P | 85.8 | Confident | 62.8 | Low | 98 Ų | 98 | 66 Ų | 66 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135 | 176.3 | -27.8 | 35.6 | 0 | 0 | 0 | 112.4 | Y830 V898 | P828-Y830 WeakPolarHBondContact O-CD2 3.41Å; P828-Y830 PolarHBondContact O-N 3.34Å; P828-V898 HydrophobicContact CB-CG2 4.44Å |
| 829 | G | 88.5 | Confident | 64.1 | Low | 7 Ų | 7 | 60.9 Ų | 60.9 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -0.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P827 A870 S895 | P827-G829 PolarHBondContact O-N 2.77Å; G829-A870 WeakPolarHBondContact O-CB 3.25Å; G829-A870 PolarHBondContact O-N 3.28Å; G829-S895 PolarHBondContact O-OG 2.9Å; G829-S895 VanDerWaalsContact O-OG 3.06Å |
| 830 | Y | 90.3 | Very high | 65.4 | Low | 14 Ų | 14 | 59.1 Ų | 59.1 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | trans | -108.4 | 152.3 | 174.8 | -73.4 | -90.3 | 0 | 0 | 0 | 111.3 | Y826 P827 P828 S834 P844 Y846 A870 K874 V898 | Y826-Y830 WeakPolarHBondContact CB-O 3.38Å; P827-Y830 HydrophobicContact CB-CD2 4.05Å; P827-Y830 WeakPolarHBondContact O-CB 3.16Å; P827-Y830 PolarHBondContact O-N 3.28Å; P828-Y830 WeakPolarHBondContact O-CD2 3.41Å; P828-Y830 PolarHBondContact O-N 3.34Å; Y830-S834 WeakPolarHBondContact CD1-OG 3.37Å; Y830-P844 HydrophobicContact CE1-CG 3.81Å; Y830-Y846 HydrophobicContact CE1-CE2 4.48Å; Y830-A870 HydrophobicContact CD2-CB 4.27Å; Y830-A870 HydrophobicContact CE1-CB 4.33Å; Y830-A870 HydrophobicContact CE2-CB 4.06Å; Y830-K874 WeakPolarHBondContact OH-CE 3.16Å; Y830-K874 PolarHBondContact OH-NZ 2.84Å; Y830-V898 HydrophobicContact CE2-CG1 4.46Å | ||
| 831 | T | 86.9 | Confident | 66.6 | Low | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | trans | -142.1 | -164.2 | -179 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | A833 S865 D869 | T831-A833 PolarHBondContact O-N 2.96Å; T831-A833 VanDerWaalsContact OG1-CB 3.29Å; T831-A833 WeakPolarHBondContact OG1-CB 3.16Å; T831-A833 PolarHBondContact OG1-N 3.34Å; T831-S865 WeakPolarHBondContact CB-O 3.42Å; T831-S865 WeakPolarHBondContact CG2-O 3.44Å; T831-S865 PolarHBondContact OG1-O 3.46Å; T831-D869 HydrophobicContact CG2-CB 4.02Å; T831-D869 PolarHBondContact N-OD2 3.28Å | ||
| 832 | I | 83.1 | Confident | 67.5 | Low | 49 Ų | 49 | 62.3 Ų | 62.3 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.1 | -17.8 | 166.6 | -163.4 | 166 | 0 | 0 | 0 | 113 | Y826 S834 G835 N866 | Y826-I832 WeakPolarHBondContact OH-CB 3.21Å; I832-S834 PolarHBondContact O-N 2.91Å; I832-G835 VanDerWaalsContact O-CA 3.28Å; I832-G835 WeakPolarHBondContact O-CA 3.42Å; I832-G835 PolarHBondContact O-N 2.87Å; I832-N866 HydrophobicContact CG2-CB 4.1Å |
| 833 | A | 85.6 | Confident | 68.6 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67.5 | -32.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H485 Q486 T831 G835 D869 | H485-A833 PolarHBondContact CE1-O 2.75Å; Q486-A833 HydrophobicContact CG-CB 4.39Å; Q486-A833 PolarHBondContact NE2-O 3.29Å; T831-A833 PolarHBondContact O-N 2.96Å; T831-A833 VanDerWaalsContact OG1-CB 3.29Å; T831-A833 WeakPolarHBondContact OG1-CB 3.16Å; T831-A833 PolarHBondContact OG1-N 3.34Å; A833-G835 PolarHBondContact O-N 2.89Å; A833-D869 HydrophobicContact CB-CB 4.07Å |
| 834 | S | 80.9 | Confident | 68.9 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -78 | 6.7 | 166.7 | -71.8 | 0 | 0 | 0 | 0 | 113 | Y830 I832 H836 D869 E871 | Y830-S834 WeakPolarHBondContact CD1-OG 3.37Å; I832-S834 PolarHBondContact O-N 2.91Å; S834-H836 WeakPolarHBondContact CB-CE1 3.46Å; S834-H836 VanDerWaalsContact CB-ND1 3.31Å; S834-H836 WeakPolarHBondContact CB-ND1 3.4Å; S834-H836 PolarHBondContact O-N 3.41Å; S834-H836 VanDerWaalsContact O-N 3.15Å; S834-H836 PolarHBondContact O-ND1 2.91Å; S834-D869 WeakPolarHBondContact CB-OD2 3.2Å; S834-D869 PolarHBondContact N-OD2 3.31Å; S834-D869 PolarHBondContact OG-OD1 2.88Å; S834-D869 PolarHBondContact OG-OD2 2.85Å; S834-E871 WeakPolarHBondContact OG-CB 3.47Å |
| 835 | G | 67.3 | Low | 69 | Low | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N447 I832 A833 | N447-G835 PolarHBondContact ND2-O 3.3Å; I832-G835 VanDerWaalsContact O-CA 3.28Å; I832-G835 WeakPolarHBondContact O-CA 3.42Å; I832-G835 PolarHBondContact O-N 2.87Å; A833-G835 PolarHBondContact O-N 2.89Å |
| 836 | H | 63 | Low | 68.7 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 154.6 | -169.7 | -79.3 | 19.8 | 0 | 0 | 0 | 113.8 | N447 Y826 S834 P844 | N447-H836 PolarHBondContact ND2-O 3.13Å; Y826-H836 HydrophobicContact CD1-CB 3.92Å; Y826-H836 HydrophobicContact CE1-CB 3.96Å; S834-H836 WeakPolarHBondContact CB-CE1 3.46Å; S834-H836 VanDerWaalsContact CB-ND1 3.31Å; S834-H836 WeakPolarHBondContact CB-ND1 3.4Å; S834-H836 PolarHBondContact O-N 3.41Å; S834-H836 VanDerWaalsContact O-N 3.15Å; S834-H836 PolarHBondContact O-ND1 2.91Å; H836-P844 VanDerWaalsContact NE2-CD 3.32Å; H836-P844 WeakPolarHBondContact NE2-CD 3.5Å; H836-P844 WeakPolarHBondContact NE2-CG 3.43Å |
| 837 | A | 53.7 | Low | 67.8 | Low | 52 Ų | 52 | 55 Ų | 55 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 135 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G839 T840 | A837-G839 PolarHBondContact O-N 2.97Å; A837-T840 HydrophobicContact CB-CG2 4Å; A837-T840 PolarHBondContact O-N 3.48Å; A837-T840 PolarHBondContact O-OG1 3.29Å; A837-T840 VanDerWaalsContact O-OG1 3.09Å |
| 838 | P | 53.8 | Low | 66.9 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 136.4 | 174.6 | -27.8 | 35.2 | 0 | 0 | 0 | 112.2 | V824 T840 | V824-P838 HydrophobicContact CB-CB 4.3Å; V824-P838 HydrophobicContact CB-CG 4.34Å; V824-P838 HydrophobicContact CG1-CB 3.81Å; V824-P838 HydrophobicContact CG1-CG 3.62Å; V824-P838 HydrophobicContact CG2-CB 4.05Å; V824-P838 HydrophobicContact CG2-CG 3.9Å; P838-T840 PolarHBondContact O-N 3.44Å |
| 839 | G | 53.5 | Low | 66.2 | Low | 57 Ų | 57 | 60.9 Ų | 60.9 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | T825 A837 T841 | T825-G839 PolarHBondContact O-N 3.14Å; T825-G839 VanDerWaalsContact O-N 3.1Å; A837-G839 PolarHBondContact O-N 2.97Å; G839-T841 PolarHBondContact O-N 3.11Å; G839-T841 VanDerWaalsContact O-N 3.17Å |
| 840 | T | 54.8 | Low | 66 | Low | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | trans | -77.1 | 100.7 | 170.8 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | P827 A837 P838 K842 | P827-T840 WeakPolarHBondContact CG-O 3.39Å; A837-T840 HydrophobicContact CB-CG2 4Å; A837-T840 PolarHBondContact O-N 3.48Å; A837-T840 PolarHBondContact O-OG1 3.29Å; A837-T840 VanDerWaalsContact O-OG1 3.09Å; P838-T840 PolarHBondContact O-N 3.44Å; T840-K842 VanDerWaalsContact C-N 3.29Å; T840-K842 PolarHBondContact O-N 3.06Å | ||
| 841 | T | 53.3 | Low | 66.1 | Low | 131 Ų | 131 | 68.2 Ų | 68.2 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | trans | -72.8 | -13.8 | -178.8 | 54.9 | 0 | 0 | 0 | 0 | 115 | G839 | G839-T841 PolarHBondContact O-N 3.11Å; G839-T841 VanDerWaalsContact O-N 3.17Å | ||
| 842 | K | 53.9 | Low | 66.5 | Low | 178 Ų | 178 | 67.8 Ų | 67.8 | 77% | 0.774 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -83.6 | 120.2 | 177.1 | -68.8 | -170.7 | 177 | -177.1 | 0 | 110.1 | T840 | T840-K842 VanDerWaalsContact C-N 3.29Å; T840-K842 PolarHBondContact O-N 3.06Å |
| 843 | A | 56.1 | Low | 67.1 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 143.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 844 | P | 55.9 | Low | 67.7 | Low | 15 Ų | 15 | 66.5 Ų | 66.5 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 150.1 | 177.5 | 31.6 | -36.5 | 0 | 0 | 0 | 109.9 | Y830 H836 Y846 | Y830-P844 HydrophobicContact CE1-CG 3.81Å; H836-P844 VanDerWaalsContact NE2-CD 3.32Å; H836-P844 WeakPolarHBondContact NE2-CD 3.5Å; H836-P844 WeakPolarHBondContact NE2-CG 3.43Å; P844-Y846 HydrophobicContact CB-CD1 4.15Å; P844-Y846 HydrophobicContact CB-CD2 4.05Å; P844-Y846 HydrophobicContact CB-CE1 3.85Å; P844-Y846 HydrophobicContact CB-CE2 3.74Å; P844-Y846 HydrophobicContact CB-CG 4.25Å; P844-Y846 HydrophobicContact CG-CD1 4.4Å; P844-Y846 HydrophobicContact CG-CD2 3.4Å; P844-Y846 VanDerWaalsContact CG-CD2 3.4Å; P844-Y846 HydrophobicContact CG-CE1 4.23Å; P844-Y846 HydrophobicContact CG-CE2 3.18Å; P844-Y846 HydrophobicContact CG-CG 4.03Å; P844-Y846 PolarHBondContact O-N 3.01Å |
| 845 | P | 58 | Low | 68.5 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -78.3 | 48.1 | -172 | 34 | -38 | 0 | 0 | 0 | 113.5 | D847 | P845-D847 VanDerWaalsContact C-N 3.25Å; P845-D847 PolarHBondContact O-N 3.17Å |
| 846 | Y | 61 | Low | 70 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -73.3 | -15.3 | 179.1 | -59.7 | -27.4 | 0 | 0 | 0 | 113.3 | Y830 P844 K848 V849 E871 | Y830-Y846 HydrophobicContact CE1-CE2 4.48Å; P844-Y846 HydrophobicContact CB-CD1 4.15Å; P844-Y846 HydrophobicContact CB-CD2 4.05Å; P844-Y846 HydrophobicContact CB-CE1 3.85Å; P844-Y846 HydrophobicContact CB-CE2 3.74Å; P844-Y846 HydrophobicContact CB-CG 4.25Å; P844-Y846 HydrophobicContact CG-CD1 4.4Å; P844-Y846 HydrophobicContact CG-CD2 3.4Å; P844-Y846 VanDerWaalsContact CG-CD2 3.4Å; P844-Y846 HydrophobicContact CG-CE1 4.23Å; P844-Y846 HydrophobicContact CG-CE2 3.18Å; P844-Y846 HydrophobicContact CG-CG 4.03Å; P844-Y846 PolarHBondContact O-N 3.01Å; Y846-K848 PolarHBondContact O-N 2.8Å; Y846-V849 WeakPolarHBondContact O-CB 3.2Å; Y846-V849 PolarHBondContact O-N 2.95Å; Y846-E871 HydrophobicContact CD2-CB 3.92Å; Y846-E871 HydrophobicContact CD2-CG 3.6Å; Y846-E871 HydrophobicContact CE2-CB 3.58Å; Y846-E871 HydrophobicContact CE2-CG 3.32Å; Y846-E871 WeakPolarHBondContact CE2-OE2 3.11Å; Y846-E871 HydrophobicContact CG-CG 4.45Å; Y846-E871 VanDerWaalsContact OH-CD 3.3Å; Y846-E871 PolarHBondContact OH-OE2 3.41Å |
| 847 | D | 55.4 | Low | 71.6 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 65% | 0.652 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -61.3 | -7.3 | 177.3 | -35.6 | -46.3 | 0 | 0 | 0 | 113.7 | P845 | P845-D847 VanDerWaalsContact C-N 3.25Å; P845-D847 PolarHBondContact O-N 3.17Å |
| 848 | K | 63.4 | Low | 73.7 | Confident | 194 Ų | 194 | 61.9 Ų | 61.9 | 84% | 0.843 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -99.3 | -7.1 | 173.8 | -63.1 | -175.8 | -179.9 | -179.7 | 0 | 114 | Y846 | Y846-K848 PolarHBondContact O-N 2.8Š|
| 849 | V | 71.7 | Confident | 75.8 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -81.7 | 138.3 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | Y846 R875 | Y846-V849 WeakPolarHBondContact O-CB 3.2Å; Y846-V849 PolarHBondContact O-N 2.95Å; V849-R875 HydrophobicContact CG1-CG 4.37Å |
| 850 | K | 83.6 | Confident | 77.7 | Confident | 147 Ų | 147 | 55.9 Ų | 55.9 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -76 | 128.7 | 177.4 | -68.6 | -173.5 | 177.5 | -176.1 | 0 | 109.8 | I497 | I497-K850 HydrophobicContact CD1-CB 3.96Š|
| 851 | P | 92.6 | Very high | 79.4 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 147.9 | 177.8 | 28.4 | -35.1 | 0 | 0 | 0 | 111.2 | I497 Y853 R875 R877 | I497-P851 VanDerWaalsContact CD1-O 3.29Å; I497-P851 WeakPolarHBondContact CD1-O 3.36Å; P851-Y853 HydrophobicContact CB-CE2 4.25Å; P851-Y853 HydrophobicContact CG-CE2 3.85Å; P851-R875 CarbonylContact C-O 3.56Å; P851-R875 WeakPolarHBondContact CA-O 3.44Å; P851-R877 HydrophobicContact CB-CG 3.89Å |
| 852 | I | 95.3 | Very high | 81.2 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.9 | 179.9 | -67 | 176.9 | 0 | 0 | 0 | 108.1 | L493 I497 L503 R875 V876 R877 | L493-I852 VanDerWaalsContact C-CD1 3.49Å; L493-I852 HydrophobicContact CB-CD1 3.56Å; L493-I852 WeakPolarHBondContact O-CD1 3.34Å; I497-I852 HydrophobicContact CB-CD1 3.91Å; I497-I852 HydrophobicContact CB-CG1 3.9Å; I497-I852 HydrophobicContact CD1-CD1 4.42Å; I497-I852 HydrophobicContact CD1-CG1 3.55Å; I497-I852 HydrophobicContact CG1-CG1 4.24Å; I497-I852 HydrophobicContact CG2-CD1 3.86Å; I497-I852 HydrophobicContact CG2-CG1 4.19Å; L503-I852 HydrophobicContact CB-CG2 4.45Å; L503-I852 WeakPolarHBondContact O-CA 3.38Å; I852-R875 PolarHBondContact N-O 3.46Å; I852-V876 WeakPolarHBondContact O-CA 3.37Å; I852-R877 PolarHBondContact O-N 3.33Å |
| 853 | Y | 97 | Very high | 83.1 | Confident | 18 Ų | 18 | 39 Ų | 39 | 7% | 0.071 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.1 | -175 | -60.9 | -97.7 | 0 | 0 | 0 | 111 | R476 L503 R504 H505 P506 P851 R877 D907 L910 | R476-Y853 WeakPolarHBondContact CD-O 3.4Å; L503-Y853 PolarHBondContact O-N 3.31Å; R504-Y853 VanDerWaalsContact C-CE2 3.49Å; R504-Y853 WeakPolarHBondContact O-CE2 3.38Å; H505-Y853 VanDerWaalsContact N-CD2 3.32Å; H505-Y853 VanDerWaalsContact O-CB 3.28Å; H505-Y853 WeakPolarHBondContact O-CB 3.36Å; P506-Y853 VanDerWaalsContact CA-CD1 3.42Å; P506-Y853 HydrophobicContact CB-CD1 3.7Å; P506-Y853 HydrophobicContact CB-CE1 3.86Å; P506-Y853 HydrophobicContact CG-CD1 4.42Å; P506-Y853 HydrophobicContact CG-CE1 4.18Å; P851-Y853 HydrophobicContact CB-CE2 4.25Å; P851-Y853 HydrophobicContact CG-CE2 3.85Å; Y853-R877 WeakPolarHBondContact CA-O 3.29Å; Y853-R877 HydrophobicContact CD1-CB 3.97Å; Y853-R877 HydrophobicContact CE1-CB 4.28Å; Y853-R877 PolarHBondContact OH-NH1 3.08Å; Y853-D907 WeakPolarHBondContact CE1-OD1 3.47Å; Y853-D907 VanDerWaalsContact CZ-OD1 3.3Å; Y853-D907 PolarHBondContact OH-OD1 2.88Å; Y853-D907 PolarHBondContact OH-OD2 3.17Å; Y853-L910 HydrophobicContact CE1-CD1 4.32Å |
| 854 | V | 97.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 165.1 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 110 | L462 R476 L478 A857 V876 R877 A878 R879 | L462-V854 HydrophobicContact CD1-CG1 4.02Å; R476-V854 HydrophobicContact CB-CB 4.03Å; R476-V854 HydrophobicContact CB-CG1 4.09Å; L478-V854 HydrophobicContact CB-CG1 4.48Å; L478-V854 HydrophobicContact CB-CG2 4.47Å; V854-A857 HydrophobicContact CG2-CB 3.94Å; V854-V876 HydrophobicContact CG2-CG1 4.05Å; V854-R877 PolarHBondContact N-O 3.01Å; V854-A878 HydrophobicContact CG2-CB 3.78Å; V854-A878 WeakPolarHBondContact O-CA 3.38Å; V854-R879 PolarHBondContact O-N 3.1Å |
| 855 | D | 97.6 | Very high | 86.2 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -41.1 | -179.2 | -56.5 | -79.8 | 0 | 0 | 0 | 110.6 | L475 R476 R879 Y880 | L475-D855 WeakPolarHBondContact CA-OD2 3.48Å; R476-D855 WeakPolarHBondContact CB-OD2 3.49Å; R476-D855 IonicContact CZ-OD1 3.98Å; R476-D855 IonicContact CZ-OD2 3.29Å; R476-D855 PolarHBondContact N-OD2 2.87Å; R476-D855 IonicContact NE-OD1 2.77Å; R476-D855 IonicContact NE-OD2 3.87Å; R476-D855 PolarHBondContact NE-OD2 2.7Å; R476-D855 IonicContact NH2-OD1 3.89Å; R476-D855 PolarHBondContact NH2-OD1 3.15Å; R476-D855 IonicContact NH2-OD2 2.78Å; R476-D855 PolarHBondContact NH2-OD2 3.17Å; R476-D855 PolarHBondContact O-N 3.39Å; D855-R879 PolarHBondContact O-N 3.2Å; D855-Y880 PolarHBondContact O-N 3.36Å |
| 856 | V | 98 | Very high | 87.5 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.2 | 175.3 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | I255 R476 F477 L478 F858 Y880 V882 I972 L974 | I255-V856 HydrophobicContact CG2-CG2 4.22Å; R476-V856 PolarHBondContact O-N 3.11Å; F477-V856 HydrophobicContact CD1-CB 4.11Å; F477-V856 HydrophobicContact CD1-CG2 4.03Å; F477-V856 HydrophobicContact CE1-CG2 4.19Å; L478-V856 PolarHBondContact N-O 2.78Å; V856-F858 HydrophobicContact CG1-CE2 4.3Å; V856-Y880 CarbonylContact C-O 3.58Å; V856-Y880 WeakPolarHBondContact CA-O 3.42Å; V856-Y880 HydrophobicContact CG2-CD2 4.37Å; V856-V882 HydrophobicContact CG1-CG2 3.86Å; V856-I972 HydrophobicContact CG1-CD1 4.44Å; V856-L974 HydrophobicContact CG2-CD2 3.92Å |
| 857 | A | 98.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 117.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L478 V854 V876 A878 Y880 Y881 V882 | L478-A857 HydrophobicContact CB-CB 4.19Å; L478-A857 HydrophobicContact CD2-CB 4.32Å; V854-A857 HydrophobicContact CG2-CB 3.94Å; A857-V876 HydrophobicContact CB-CG1 4.48Å; A857-A878 HydrophobicContact CB-CB 3.74Å; A857-Y880 PolarHBondContact N-O 2.95Å; A857-Y881 HydrophobicContact CB-CD1 4.09Å; A857-Y881 HydrophobicContact CB-CE1 4.39Å; A857-Y881 CarbonylContact O-C 3.57Å; A857-Y881 WeakPolarHBondContact O-CA 3.42Å; A857-V882 PolarHBondContact O-N 3.49Å |
| 858 | F | 97.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.2 | 165.1 | -74.5 | -104.7 | 0 | 0 | 0 | 109.2 | I255 V257 S266 L478 F479 V480 V856 V882 T884 | I255-F858 HydrophobicContact CD1-CE2 4Å; I255-F858 HydrophobicContact CD1-CZ 4.33Å; V257-F858 HydrophobicContact CG1-CE1 4.2Å; V257-F858 HydrophobicContact CG1-CZ 4.21Å; V257-F858 HydrophobicContact CG2-CZ 4.26Å; S266-F858 WeakPolarHBondContact OG-CZ 3.42Å; L478-F858 PolarHBondContact O-N 3.25Å; F479-F858 AromaticContact CD1-CD2 3.67Å; F479-F858 HydrophobicContact CD1-CD2 3.67Å; F479-F858 AromaticContact CD1-CE2 3.72Å; F479-F858 HydrophobicContact CD1-CE2 3.72Å; F479-F858 HydrophobicContact CD1-CG 4.45Å; F479-F858 AromaticContact CE1-CD2 4Å; F479-F858 HydrophobicContact CE1-CD2 4Å; F479-F858 AromaticContact CE1-CE2 3.56Å; F479-F858 HydrophobicContact CE1-CE2 3.56Å; F479-F858 HydrophobicContact CE1-CZ 4.3Å; V480-F858 VanDerWaalsContact CG2-O 3.28Å; V480-F858 WeakPolarHBondContact CG2-O 3.46Å; V856-F858 HydrophobicContact CG1-CE2 4.3Å; F858-V882 WeakPolarHBondContact CA-O 3.25Å; F858-V882 HydrophobicContact CD1-CB 3.96Å; F858-V882 HydrophobicContact CD1-CG1 3.9Å; F858-V882 HydrophobicContact CD2-CB 4.37Å; F858-V882 HydrophobicContact CD2-CG2 4.46Å; F858-V882 HydrophobicContact CE1-CB 4.01Å; F858-V882 HydrophobicContact CE1-CG1 3.59Å; F858-V882 HydrophobicContact CE2-CB 4.4Å; F858-V882 HydrophobicContact CE2-CG2 4.21Å; F858-V882 HydrophobicContact CG-CB 4.14Å; F858-V882 HydrophobicContact CZ-CB 4.21Å; F858-V882 HydrophobicContact CZ-CG1 4Å; F858-V882 HydrophobicContact CZ-CG2 4.24Å; F858-T884 HydrophobicContact CE1-CG2 4.47Å |
| 859 | L | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 142.7 | -173.8 | -63.5 | -169.7 | 0 | 0 | 0 | 113 | S862 F873 Y881 V882 A883 L892 | L859-S862 WeakPolarHBondContact O-CA 3.42Å; L859-S862 PolarHBondContact O-N 3.45Å; L859-S862 VanDerWaalsContact O-N 3.15Å; L859-F873 HydrophobicContact CD1-CE1 4.31Å; L859-F873 HydrophobicContact CD1-CZ 3.89Å; L859-F873 HydrophobicContact CD2-CE1 3.89Å; L859-F873 HydrophobicContact CD2-CZ 4.09Å; L859-Y881 HydrophobicContact CD2-CD1 3.7Å; L859-Y881 HydrophobicContact CD2-CG 4.28Å; L859-V882 PolarHBondContact N-O 3.42Å; L859-A883 HydrophobicContact CD1-CB 3.96Å; L859-L892 HydrophobicContact CD1-CD1 3.84Å; L859-L892 HydrophobicContact CD1-CD2 4.29Å |
| 860 | P | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -54.5 | 144.7 | 166 | -19.3 | 29.6 | 0 | 0 | 0 | 111.2 | V480 A484 Q486 S862 G863 V868 W872 | V480-P860 HydrophobicContact CG1-CB 4.25Å; V480-P860 HydrophobicContact CG1-CG 4.24Å; A484-P860 VanDerWaalsContact O-CB 3.31Å; A484-P860 WeakPolarHBondContact O-CB 3.5Å; Q486-P860 HydrophobicContact CB-CB 4.32Å; Q486-P860 HydrophobicContact CB-CG 4.02Å; P860-S862 PolarHBondContact O-N 2.7Å; P860-G863 PolarHBondContact O-N 2.76Å; P860-V868 HydrophobicContact CB-CB 4.16Å; P860-V868 HydrophobicContact CG-CB 4.29Å; P860-V868 HydrophobicContact CG-CG2 4.31Å; P860-V868 WeakPolarHBondContact O-CG1 3.31Å; P860-W872 HydrophobicContact CG-CD2 3.89Å; P860-W872 HydrophobicContact CG-CE3 3.75Å; P860-W872 HydrophobicContact CG-CH2 3.81Å; P860-W872 HydrophobicContact CG-CZ2 3.97Å; P860-W872 HydrophobicContact CG-CZ3 3.72Å |
| 861 | G | 89.8 | Confident | 93.7 | Very high | 6 Ų | 6 | 11.4 Ų | 11.4 | 6% | 0.062 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | 62.1 | 18.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | P482 A484 G863 N864 | P482-G861 CarbonylContact O-C 3.56Å; P482-G861 WeakPolarHBondContact O-CA 3.22Å; P482-G861 PolarHBondContact O-N 3.2Å; A484-G861 PolarHBondContact O-N 2.83Å; A484-G861 VanDerWaalsContact O-N 3.08Å; G861-G863 PolarHBondContact O-N 2.9Å; G861-G863 VanDerWaalsContact O-N 3.09Å; G861-N864 WeakPolarHBondContact O-CB 3.28Å; G861-N864 PolarHBondContact O-N 2.75Å |
| 862 | S | 91.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 10.1 Ų | 10.1 | 7% | 0.07 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | 58.8 | 11.5 | -165.2 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | Q264 P482 L859 P860 A883 T884 D885 | Q264-S862 PolarHBondContact NE2-OG 3.46Å; P482-S862 VanDerWaalsContact CB-OG 3.22Å; P482-S862 WeakPolarHBondContact CB-OG 3.46Å; P482-S862 PolarHBondContact O-N 2.82Å; L859-S862 WeakPolarHBondContact O-CA 3.42Å; L859-S862 PolarHBondContact O-N 3.45Å; L859-S862 VanDerWaalsContact O-N 3.15Å; P860-S862 PolarHBondContact O-N 2.7Å; S862-A883 CarbonylContact O-C 3.58Å; S862-A883 WeakPolarHBondContact O-CA 3.46Å; S862-T884 WeakPolarHBondContact CB-OG1 3.17Å; S862-T884 PolarHBondContact O-N 3.4Å; S862-T884 PolarHBondContact OG-OG1 2.89Å; S862-D885 PolarHBondContact O-N 2.91Å |
| 863 | G | 92.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | 105.6 | -4.4 | -169 | 0 | 0 | 0 | 0 | 0 | 114.3 | P860 G861 S865 L892 | P860-G863 PolarHBondContact O-N 2.76Å; G861-G863 PolarHBondContact O-N 2.9Å; G861-G863 VanDerWaalsContact O-N 3.09Å; G863-S865 PolarHBondContact O-N 2.83Å; G863-L892 WeakPolarHBondContact O-CD1 3.32Å; G863-L892 WeakPolarHBondContact O-CD2 3.43Å |
| 864 | N | 89.4 | Confident | 93.7 | Very high | 26 Ų | 26 | 10.6 Ų | 10.6 | 14% | 0.139 | 6% | 0.056 | C | C | . | . | trans | -62.7 | 125 | 175.9 | -169.5 | -84.6 | 0 | 0 | 0 | 110.8 | G861 N866 Y867 V868 D885 | G861-N864 WeakPolarHBondContact O-CB 3.28Å; G861-N864 PolarHBondContact O-N 2.75Å; N864-N866 PolarHBondContact O-N 2.9Å; N864-N866 WeakPolarHBondContact OD1-CB 3.14Å; N864-N866 PolarHBondContact OD1-N 3.39Å; N864-N866 PolarHBondContact OD1-ND2 3.11Å; N864-Y867 HydrophobicContact CB-CD2 4.12Å; N864-Y867 PolarHBondContact O-N 3.41Å; N864-V868 PolarHBondContact O-N 3.45Å; N864-D885 WeakPolarHBondContact CA-OD2 3.2Å; N864-D885 WeakPolarHBondContact CB-OD2 3.43Å; N864-D885 PolarHBondContact ND2-OD2 3.41Å; N864-D885 VanDerWaalsContact ND2-OD2 3.17Å | ||
| 865 | S | 89.1 | Confident | 93.5 | Very high | 19 Ų | 19 | 11.5 Ų | 11.5 | 13% | 0.133 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.9 | -169.7 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | T831 G863 Y867 V868 | T831-S865 WeakPolarHBondContact CB-O 3.42Å; T831-S865 WeakPolarHBondContact CG2-O 3.44Å; T831-S865 PolarHBondContact OG1-O 3.46Å; G863-S865 PolarHBondContact O-N 2.83Å; S865-Y867 VanDerWaalsContact C-N 3.3Å; S865-V868 WeakPolarHBondContact CA-O 3.46Å |
| 866 | N | 85.3 | Confident | 93.5 | Very high | 61 Ų | 61 | 10.9 Ų | 10.9 | 33% | 0.326 | 6% | 0.055 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14 | 168.1 | -64.5 | -69 | 0 | 0 | 0 | 113.7 | I832 N864 | I832-N866 HydrophobicContact CG2-CB 4.1Å; N864-N866 PolarHBondContact O-N 2.9Å; N864-N866 WeakPolarHBondContact OD1-CB 3.14Å; N864-N866 PolarHBondContact OD1-N 3.39Å; N864-N866 PolarHBondContact OD1-ND2 3.11Å |
| 867 | Y | 89.4 | Confident | 93.4 | Very high | 44 Ų | 44 | 11.8 Ų | 11.8 | 17% | 0.173 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -20.5 | -173.8 | -64.9 | -97.8 | 0 | 0 | 0 | 114.1 | V451 H485 Q486 N864 S865 | V451-Y867 HydrophobicContact CG1-CE1 3.92Å; H485-Y867 HydrophobicContact CB-CD1 4.06Å; Q486-Y867 WeakPolarHBondContact CB-O 3.16Å; Q486-Y867 WeakPolarHBondContact CG-O 3.34Å; Q486-Y867 PolarHBondContact N-O 3.33Å; N864-Y867 HydrophobicContact CB-CD2 4.12Å; N864-Y867 PolarHBondContact O-N 3.41Å; S865-Y867 VanDerWaalsContact C-N 3.3Å |
| 868 | V | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -135.7 | 137.8 | 177.8 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | P860 N864 S865 W872 F873 L892 | P860-V868 HydrophobicContact CB-CB 4.16Å; P860-V868 HydrophobicContact CG-CB 4.29Å; P860-V868 HydrophobicContact CG-CG2 4.31Å; P860-V868 WeakPolarHBondContact O-CG1 3.31Å; N864-V868 PolarHBondContact O-N 3.45Å; S865-V868 WeakPolarHBondContact CA-O 3.46Å; V868-W872 HydrophobicContact CG2-CB 3.52Å; V868-W872 HydrophobicContact CG2-CD2 4.39Å; V868-W872 HydrophobicContact CG2-CG 3.61Å; V868-F873 HydrophobicContact CG2-CE2 4.1Å; V868-F873 HydrophobicContact CG2-CZ 4.31Å; V868-L892 HydrophobicContact CG1-CD1 3.9Å | ||
| 869 | D | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -148 | -166 | 172.7 | 72.4 | 9.1 | 0 | 0 | 0 | 111.4 | Q486 T831 A833 S834 E871 W872 F873 | Q486-D869 PolarHBondContact NE2-OD1 2.79Å; T831-D869 HydrophobicContact CG2-CB 4.02Å; T831-D869 PolarHBondContact N-OD2 3.28Å; A833-D869 HydrophobicContact CB-CB 4.07Å; S834-D869 WeakPolarHBondContact CB-OD2 3.2Å; S834-D869 PolarHBondContact N-OD2 3.31Å; S834-D869 PolarHBondContact OG-OD1 2.88Å; S834-D869 PolarHBondContact OG-OD2 2.85Å; D869-E871 PolarHBondContact O-N 2.89Å; D869-E871 WeakPolarHBondContact OD1-CB 3.32Å; D869-E871 PolarHBondContact OD1-N 3.1Å; D869-W872 WeakPolarHBondContact O-CB 3.19Å; D869-W872 PolarHBondContact O-N 2.97Å; D869-F873 WeakPolarHBondContact O-CD2 3.39Å | ||
| 870 | A | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.2 | -19.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G829 Y830 W872 K874 V898 | G829-A870 WeakPolarHBondContact O-CB 3.25Å; G829-A870 PolarHBondContact O-N 3.28Å; Y830-A870 HydrophobicContact CD2-CB 4.27Å; Y830-A870 HydrophobicContact CE1-CB 4.33Å; Y830-A870 HydrophobicContact CE2-CB 4.06Å; A870-W872 VanDerWaalsContact C-N 3.29Å; A870-W872 PolarHBondContact O-N 3.11Å; A870-K874 WeakPolarHBondContact O-CB 3.46Å; A870-K874 WeakPolarHBondContact O-CG 3.44Å; A870-K874 PolarHBondContact O-N 3.12Å; A870-V898 HydrophobicContact CB-CB 4.34Å; A870-V898 HydrophobicContact CB-CG1 4.04Å |
| 871 | E | 92.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 170.9 | 177.6 | 173 | 175.6 | 0 | 0 | 111.5 | L490 S834 Y846 D869 K874 R875 | L490-E871 HydrophobicContact CD1-CG 3.85Å; L490-E871 WeakPolarHBondContact CD1-OE1 3.47Å; S834-E871 WeakPolarHBondContact OG-CB 3.47Å; Y846-E871 HydrophobicContact CD2-CB 3.92Å; Y846-E871 HydrophobicContact CD2-CG 3.6Å; Y846-E871 HydrophobicContact CE2-CB 3.58Å; Y846-E871 HydrophobicContact CE2-CG 3.32Å; Y846-E871 WeakPolarHBondContact CE2-OE2 3.11Å; Y846-E871 HydrophobicContact CG-CG 4.45Å; Y846-E871 VanDerWaalsContact OH-CD 3.3Å; Y846-E871 PolarHBondContact OH-OE2 3.41Å; D869-E871 PolarHBondContact O-N 2.89Å; D869-E871 WeakPolarHBondContact OD1-CB 3.32Å; D869-E871 PolarHBondContact OD1-N 3.1Å; E871-K874 PolarHBondContact O-N 2.78Å; E871-R875 HydrophobicContact CG-CG 4.36Å; E871-R875 WeakPolarHBondContact O-CB 3.36Å; E871-R875 VanDerWaalsContact O-CG 3.3Å; E871-R875 WeakPolarHBondContact O-CG 3.45Å; E871-R875 PolarHBondContact O-N 3.19Å; E871-R875 VanDerWaalsContact O-N 3.16Å; E871-R875 WeakPolarHBondContact OE1-CD 3.35Å; E871-R875 IonicContact OE1-CZ 2.76Å; E871-R875 IonicContact OE1-NE 3.76Å; E871-R875 IonicContact OE1-NH1 3.08Å; E871-R875 PolarHBondContact OE1-NH1 3.17Å |
| 872 | W | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.2 | -54.1 | -179.5 | 179.5 | -103.6 | 0 | 0 | 0 | 111.4 | L478 V480 Q486 I489 L490 P860 V868 D869 A870 K874 R875 V876 | L478-W872 HydrophobicContact CD2-CH2 3.73Å; L478-W872 HydrophobicContact CD2-CZ2 3.82Å; V480-W872 HydrophobicContact CG2-CH2 4.03Å; V480-W872 HydrophobicContact CG2-CZ2 4.35Å; Q486-W872 HydrophobicContact CB-CE3 3.98Å; I489-W872 HydrophobicContact CB-CH2 4.38Å; I489-W872 HydrophobicContact CB-CZ3 4.02Å; I489-W872 HydrophobicContact CG2-CH2 3.88Å; I489-W872 HydrophobicContact CG2-CZ3 3.94Å; L490-W872 HydrophobicContact CD1-CE3 4.34Å; L490-W872 HydrophobicContact CD2-CE3 3.8Å; L490-W872 HydrophobicContact CD2-CZ3 4.08Å; L490-W872 HydrophobicContact CG-CE3 3.92Å; L490-W872 HydrophobicContact CG-CZ3 4.12Å; P860-W872 HydrophobicContact CG-CD2 3.89Å; P860-W872 HydrophobicContact CG-CE3 3.75Å; P860-W872 HydrophobicContact CG-CH2 3.81Å; P860-W872 HydrophobicContact CG-CZ2 3.97Å; P860-W872 HydrophobicContact CG-CZ3 3.72Å; V868-W872 HydrophobicContact CG2-CB 3.52Å; V868-W872 HydrophobicContact CG2-CD2 4.39Å; V868-W872 HydrophobicContact CG2-CG 3.61Å; D869-W872 WeakPolarHBondContact O-CB 3.19Å; D869-W872 PolarHBondContact O-N 2.97Å; A870-W872 VanDerWaalsContact C-N 3.29Å; A870-W872 PolarHBondContact O-N 3.11Å; W872-K874 PolarHBondContact O-N 2.75Å; W872-R875 PolarHBondContact O-N 2.82Å; W872-V876 HydrophobicContact CD2-CB 4.29Å; W872-V876 HydrophobicContact CD2-CG2 4.1Å; W872-V876 HydrophobicContact CE3-CG2 3.97Å; W872-V876 HydrophobicContact CH2-CG2 4.04Å; W872-V876 HydrophobicContact CZ2-CB 4.37Å; W872-V876 HydrophobicContact CZ2-CG1 4.26Å; W872-V876 HydrophobicContact CZ2-CG2 4.14Å; W872-V876 HydrophobicContact CZ3-CG2 3.94Å; W872-V876 PolarHBondContact O-N 3.11Å |
| 873 | F | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.7 | -14.2 | -176.5 | -58.5 | -72 | 0 | 0 | 0 | 113.9 | L859 V868 D869 Y881 L892 S895 L896 W903 | L859-F873 HydrophobicContact CD1-CE1 4.31Å; L859-F873 HydrophobicContact CD1-CZ 3.89Å; L859-F873 HydrophobicContact CD2-CE1 3.89Å; L859-F873 HydrophobicContact CD2-CZ 4.09Å; V868-F873 HydrophobicContact CG2-CE2 4.1Å; V868-F873 HydrophobicContact CG2-CZ 4.31Å; D869-F873 WeakPolarHBondContact O-CD2 3.39Å; F873-Y881 HydrophobicContact CD1-CD1 4.27Å; F873-Y881 HydrophobicContact CD1-CD2 4.38Å; F873-Y881 AromaticContact CD1-CE1 3.89Å; F873-Y881 HydrophobicContact CD1-CE1 3.89Å; F873-Y881 HydrophobicContact CD1-CE2 4Å; F873-Y881 AromaticContact CD1-CZ 3.75Å; F873-Y881 AromaticContact CE1-CD1 3.99Å; F873-Y881 HydrophobicContact CE1-CD1 3.99Å; F873-Y881 HydrophobicContact CE1-CD2 4.26Å; F873-Y881 HydrophobicContact CE1-CE1 4.08Å; F873-Y881 HydrophobicContact CE1-CE2 4.34Å; F873-Y881 HydrophobicContact CE1-CG 4.09Å; F873-L892 HydrophobicContact CE2-CD1 4.15Å; F873-L892 HydrophobicContact CZ-CD1 3.92Å; F873-S895 WeakPolarHBondContact CD2-O 3.34Å; F873-L896 HydrophobicContact CD1-CB 4.34Å; F873-L896 HydrophobicContact CD1-CD1 3.46Å; F873-L896 VanDerWaalsContact CD1-CD1 3.46Å; F873-L896 HydrophobicContact CD1-CG 4.49Å; F873-L896 HydrophobicContact CD2-CB 4.36Å; F873-L896 HydrophobicContact CE1-CB 4.18Å; F873-L896 HydrophobicContact CE1-CD1 3.68Å; F873-L896 HydrophobicContact CE1-CG 4.45Å; F873-L896 HydrophobicContact CE2-CB 4.2Å; F873-L896 HydrophobicContact CG-CB 4.41Å; F873-L896 HydrophobicContact CG-CD1 4.08Å; F873-L896 HydrophobicContact CZ-CB 4.1Å; F873-L896 HydrophobicContact CZ-CD1 4.45Å; F873-W903 PolarHBondContact O-NE1 2.6Å |
| 874 | K | 94 | Very high | 94.2 | Very high | 30 Ų | 30 | 17.7 Ų | 17.7 | 13% | 0.13 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -82.1 | -38.1 | 169.1 | -72.1 | -177 | -177.3 | -168.5 | 0 | 112.7 | Y830 A870 E871 W872 V898 S902 | Y830-K874 WeakPolarHBondContact OH-CE 3.16Å; Y830-K874 PolarHBondContact OH-NZ 2.84Å; A870-K874 WeakPolarHBondContact O-CB 3.46Å; A870-K874 WeakPolarHBondContact O-CG 3.44Å; A870-K874 PolarHBondContact O-N 3.12Å; E871-K874 PolarHBondContact O-N 2.78Å; W872-K874 PolarHBondContact O-N 2.75Å; K874-V898 WeakPolarHBondContact CE-O 3.47Å; K874-S902 VanDerWaalsContact CE-OG 3.25Å; K874-S902 WeakPolarHBondContact CE-OG 3.23Å; K874-S902 VanDerWaalsContact CG-OG 3.31Å; K874-S902 WeakPolarHBondContact CG-OG 3.24Å |
| 875 | R | 93.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 17.5 Ų | 17.5 | 9% | 0.087 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -97.5 | -33.7 | -169.3 | -65.6 | -179.9 | 63.9 | 174.4 | 2.3 | 113.8 | L490 D494 V849 P851 I852 E871 W872 | L490-R875 HydrophobicContact CD2-CB 3.73Å; D494-R875 IonicContact OD1-CZ 3.13Å; D494-R875 IonicContact OD1-NH2 3.54Å; D494-R875 PolarHBondContact OD1-NH2 3.15Å; D494-R875 IonicContact OD2-CZ 3.87Å; D494-R875 IonicContact OD2-NH2 3.22Å; D494-R875 PolarHBondContact OD2-NH2 3.27Å; V849-R875 HydrophobicContact CG1-CG 4.37Å; P851-R875 CarbonylContact C-O 3.56Å; P851-R875 WeakPolarHBondContact CA-O 3.44Å; I852-R875 PolarHBondContact N-O 3.46Å; E871-R875 HydrophobicContact CG-CG 4.36Å; E871-R875 WeakPolarHBondContact O-CB 3.36Å; E871-R875 VanDerWaalsContact O-CG 3.3Å; E871-R875 WeakPolarHBondContact O-CG 3.45Å; E871-R875 PolarHBondContact O-N 3.19Å; E871-R875 VanDerWaalsContact O-N 3.16Å; E871-R875 WeakPolarHBondContact OE1-CD 3.35Å; E871-R875 IonicContact OE1-CZ 2.76Å; E871-R875 IonicContact OE1-NE 3.76Å; E871-R875 IonicContact OE1-NH1 3.08Å; E871-R875 PolarHBondContact OE1-NH1 3.17Å; W872-R875 PolarHBondContact O-N 2.82Å |
| 876 | V | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.3 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | L478 L490 L493 I852 V854 A857 W872 Y881 | L478-V876 HydrophobicContact CD2-CG1 3.97Å; L490-V876 HydrophobicContact CD2-CG2 3.85Å; L493-V876 HydrophobicContact CD1-CG2 3.9Å; I852-V876 WeakPolarHBondContact O-CA 3.37Å; V854-V876 HydrophobicContact CG2-CG1 4.05Å; A857-V876 HydrophobicContact CB-CG1 4.48Å; W872-V876 HydrophobicContact CD2-CB 4.29Å; W872-V876 HydrophobicContact CD2-CG2 4.1Å; W872-V876 HydrophobicContact CE3-CG2 3.97Å; W872-V876 HydrophobicContact CH2-CG2 4.04Å; W872-V876 HydrophobicContact CZ2-CB 4.37Å; W872-V876 HydrophobicContact CZ2-CG1 4.26Å; W872-V876 HydrophobicContact CZ2-CG2 4.14Å; W872-V876 HydrophobicContact CZ3-CG2 3.94Å; W872-V876 PolarHBondContact O-N 3.11Å; V876-Y881 PolarHBondContact O-OH 2.99Å |
| 877 | R | 96.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 16 Ų | 16 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 102.5 | 179.1 | -62.3 | -164.9 | 175.9 | 159.8 | -5.9 | 109.3 | P851 I852 Y853 V854 Y881 W903 D907 | P851-R877 HydrophobicContact CB-CG 3.89Å; I852-R877 PolarHBondContact O-N 3.33Å; Y853-R877 WeakPolarHBondContact CA-O 3.29Å; Y853-R877 HydrophobicContact CD1-CB 3.97Å; Y853-R877 HydrophobicContact CE1-CB 4.28Å; Y853-R877 PolarHBondContact OH-NH1 3.08Å; V854-R877 PolarHBondContact N-O 3.01Å; R877-Y881 WeakPolarHBondContact CA-OH 3.48Å; R877-W903 HydrophobicContact CB-CH2 3.69Å; R877-W903 HydrophobicContact CB-CZ2 3.77Å; R877-W903 HydrophobicContact CB-CZ3 4.27Å; R877-W903 HydrophobicContact CG-CD2 4.23Å; R877-W903 HydrophobicContact CG-CH2 3.86Å; R877-W903 HydrophobicContact CG-CZ2 3.45Å; R877-W903 VanDerWaalsContact CG-CZ2 3.45Å; R877-W903 HydrophobicContact CG-CZ3 4.37Å; R877-D907 IonicContact CZ-OD2 3.91Å; R877-D907 IonicContact NH1-OD1 2.67Å; R877-D907 PolarHBondContact NH1-OD1 2.89Å; R877-D907 IonicContact NH1-OD2 3.69Å; R877-D907 PolarHBondContact NH1-OD2 3.22Å |
| 878 | A | 97.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.033 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V854 A857 Y880 Y881 | V854-A878 HydrophobicContact CG2-CB 3.78Å; V854-A878 WeakPolarHBondContact O-CA 3.38Å; A857-A878 HydrophobicContact CB-CB 3.74Å; A878-Y880 WeakPolarHBondContact CB-O 3.24Å; A878-Y881 HydrophobicContact CB-CD1 3.75Å; A878-Y881 HydrophobicContact CB-CD2 4.49Å; A878-Y881 HydrophobicContact CB-CE1 3.48Å; A878-Y881 VanDerWaalsContact CB-CE1 3.48Å; A878-Y881 HydrophobicContact CB-CE2 4.27Å; A878-Y881 HydrophobicContact CB-CG 4.24Å; A878-Y881 PolarHBondContact N-OH 2.99Å; A878-Y881 VanDerWaalsContact N-OH 3.07Å |
| 879 | R | 96.2 | Very high | 94 | Very high | 105 Ų | 105 | 16 Ų | 16 | 40% | 0.396 | 7% | 0.072 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -38.6 | 163.8 | 177.8 | -179.8 | 161.4 | -158.6 | -10.8 | 110.6 | V854 D855 S913 L974 | V854-R879 PolarHBondContact O-N 3.1Å; D855-R879 PolarHBondContact O-N 3.2Å; R879-S913 PolarHBondContact O-N 3.13Å; R879-L974 PolarHBondContact NH1-O 3.14Å |
| 880 | Y | 97.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 17.6 Ų | 17.6 | 11% | 0.11 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.5 | 173.9 | -61.5 | -81.4 | 0 | 0 | 0 | 111.3 | D855 V856 A857 A878 S913 I915 I972 L974 | D855-Y880 PolarHBondContact O-N 3.36Å; V856-Y880 CarbonylContact C-O 3.58Å; V856-Y880 WeakPolarHBondContact CA-O 3.42Å; V856-Y880 HydrophobicContact CG2-CD2 4.37Å; A857-Y880 PolarHBondContact N-O 2.95Å; A878-Y880 WeakPolarHBondContact CB-O 3.24Å; Y880-S913 CarbonylContact C-O 3.59Å; Y880-S913 WeakPolarHBondContact CA-O 3.45Å; Y880-S913 VanDerWaalsContact CD1-CB 3.47Å; Y880-I915 HydrophobicContact CD1-CD1 3.89Å; Y880-I972 HydrophobicContact CD1-CD1 4.35Å; Y880-I972 HydrophobicContact CD1-CG2 3.89Å; Y880-I972 HydrophobicContact CD2-CG2 3.61Å; Y880-I972 HydrophobicContact CE1-CG2 3.75Å; Y880-I972 HydrophobicContact CE2-CG2 3.43Å; Y880-I972 VanDerWaalsContact CE2-CG2 3.43Å; Y880-I972 HydrophobicContact CG-CD1 4.2Å; Y880-I972 HydrophobicContact CG-CG2 3.85Å; Y880-L974 HydrophobicContact CD2-CD2 4.4Å; Y880-L974 HydrophobicContact CE2-CD2 4.33Å |
| 881 | Y | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.8 | 164.1 | -64.4 | -71.9 | 0 | 0 | 0 | 109.8 | A857 L859 F873 V876 R877 A878 L896 V912 S913 I915 | A857-Y881 HydrophobicContact CB-CD1 4.09Å; A857-Y881 HydrophobicContact CB-CE1 4.39Å; A857-Y881 CarbonylContact O-C 3.57Å; A857-Y881 WeakPolarHBondContact O-CA 3.42Å; L859-Y881 HydrophobicContact CD2-CD1 3.7Å; L859-Y881 HydrophobicContact CD2-CG 4.28Å; F873-Y881 HydrophobicContact CD1-CD1 4.27Å; F873-Y881 HydrophobicContact CD1-CD2 4.38Å; F873-Y881 AromaticContact CD1-CE1 3.89Å; F873-Y881 HydrophobicContact CD1-CE1 3.89Å; F873-Y881 HydrophobicContact CD1-CE2 4Å; F873-Y881 AromaticContact CD1-CZ 3.75Å; F873-Y881 AromaticContact CE1-CD1 3.99Å; F873-Y881 HydrophobicContact CE1-CD1 3.99Å; F873-Y881 HydrophobicContact CE1-CD2 4.26Å; F873-Y881 HydrophobicContact CE1-CE1 4.08Å; F873-Y881 HydrophobicContact CE1-CE2 4.34Å; F873-Y881 HydrophobicContact CE1-CG 4.09Å; V876-Y881 PolarHBondContact O-OH 2.99Å; R877-Y881 WeakPolarHBondContact CA-OH 3.48Å; A878-Y881 HydrophobicContact CB-CD1 3.75Å; A878-Y881 HydrophobicContact CB-CD2 4.49Å; A878-Y881 HydrophobicContact CB-CE1 3.48Å; A878-Y881 VanDerWaalsContact CB-CE1 3.48Å; A878-Y881 HydrophobicContact CB-CE2 4.27Å; A878-Y881 HydrophobicContact CB-CG 4.24Å; A878-Y881 PolarHBondContact N-OH 2.99Å; A878-Y881 VanDerWaalsContact N-OH 3.07Å; Y881-L896 HydrophobicContact CD2-CD1 3.87Å; Y881-L896 HydrophobicContact CE2-CD1 3.79Å; Y881-V912 HydrophobicContact CD2-CG1 3.62Å; Y881-V912 HydrophobicContact CE2-CG1 3.51Å; Y881-S913 PolarHBondContact N-O 2.88Å; Y881-I915 PolarHBondContact O-N 3Å |
| 882 | V | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.8 | 178.1 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | V257 V856 A857 F858 L859 T884 | V257-V882 HydrophobicContact CG1-CG1 3.86Å; V856-V882 HydrophobicContact CG1-CG2 3.86Å; A857-V882 PolarHBondContact O-N 3.49Å; F858-V882 WeakPolarHBondContact CA-O 3.25Å; F858-V882 HydrophobicContact CD1-CB 3.96Å; F858-V882 HydrophobicContact CD1-CG1 3.9Å; F858-V882 HydrophobicContact CD2-CB 4.37Å; F858-V882 HydrophobicContact CD2-CG2 4.46Å; F858-V882 HydrophobicContact CE1-CB 4.01Å; F858-V882 HydrophobicContact CE1-CG1 3.59Å; F858-V882 HydrophobicContact CE2-CB 4.4Å; F858-V882 HydrophobicContact CE2-CG2 4.21Å; F858-V882 HydrophobicContact CG-CB 4.14Å; F858-V882 HydrophobicContact CZ-CB 4.21Å; F858-V882 HydrophobicContact CZ-CG1 4Å; F858-V882 HydrophobicContact CZ-CG2 4.24Å; L859-V882 PolarHBondContact N-O 3.42Å; V882-T884 HydrophobicContact CG1-CG2 4.22Å |
| 883 | A | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127 | 175 | 0 | 0 | 0 | 0 | 0 | 109.2 | L859 S862 L892 L914 I915 L916 A917 | L859-A883 HydrophobicContact CD1-CB 3.96Å; S862-A883 CarbonylContact O-C 3.58Å; S862-A883 WeakPolarHBondContact O-CA 3.46Å; A883-L892 HydrophobicContact CB-CD2 4.04Å; A883-L914 HydrophobicContact CB-CD1 4.27Å; A883-I915 PolarHBondContact N-O 3.37Å; A883-L916 HydrophobicContact CB-CD2 4.05Å; A883-L916 CarbonylContact O-C 3.53Å; A883-L916 WeakPolarHBondContact O-CA 3.34Å; A883-A917 PolarHBondContact O-N 3.3Å |
| 884 | T | 93.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | trans | -119.3 | 3.2 | -171 | 40.2 | 0 | 0 | 0 | 0 | 113.4 | Q264 F858 S862 V882 A917 | Q264-T884 HydrophobicContact CG-CG2 4.25Å; Q264-T884 WeakPolarHBondContact CG-OG1 3.12Å; Q264-T884 PolarHBondContact NE2-OG1 2.83Å; F858-T884 HydrophobicContact CE1-CG2 4.47Å; S862-T884 WeakPolarHBondContact CB-OG1 3.17Å; S862-T884 PolarHBondContact O-N 3.4Å; S862-T884 PolarHBondContact OG-OG1 2.89Å; V882-T884 HydrophobicContact CG1-CG2 4.22Å; T884-A917 HydrophobicContact CG2-CB 4.3Å | ||
| 885 | D | 90.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 20.3 Ų | 20.3 | 12% | 0.118 | 10% | 0.101 | C | C | . | . | trans | -57.6 | 138 | 171.8 | -164.2 | -32.9 | 0 | 0 | 0 | 109.8 | S862 N864 R887 P888 | S862-D885 PolarHBondContact O-N 2.91Å; N864-D885 WeakPolarHBondContact CA-OD2 3.2Å; N864-D885 WeakPolarHBondContact CB-OD2 3.43Å; N864-D885 PolarHBondContact ND2-OD2 3.41Å; N864-D885 VanDerWaalsContact ND2-OD2 3.17Å; D885-R887 PolarHBondContact O-N 2.77Å; D885-R887 PolarHBondContact OD1-N 3.04Å; D885-P888 WeakPolarHBondContact O-CD 3.39Å | ||
| 886 | V | 88.1 | Confident | 93.9 | Very high | 19 Ų | 19 | 19.3 Ų | 19.3 | 12% | 0.115 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -70.9 | -17.6 | 176.4 | -68.1 | 0 | 0 | 0 | 0 | 113 | F120 F126 G261 Y918 | F120-V886 HydrophobicContact CD2-CG1 4.44Å; F120-V886 HydrophobicContact CD2-CG2 4.2Å; F120-V886 HydrophobicContact CE2-CG2 3.77Å; F126-V886 HydrophobicContact CD2-CG2 4.33Å; F126-V886 HydrophobicContact CE2-CG2 3.94Å; G261-V886 VanDerWaalsContact C-CG1 3.43Å; G261-V886 VanDerWaalsContact O-CG1 3.26Å; G261-V886 WeakPolarHBondContact O-CG1 3.37Å; V886-Y918 HydrophobicContact CB-CD2 4.27Å; V886-Y918 HydrophobicContact CG1-CD2 4.02Å; V886-Y918 HydrophobicContact CG1-CE2 3.89Å |
| 887 | R | 87.3 | Confident | 93.9 | Very high | 28 Ų | 28 | 19.3 Ų | 19.3 | 11% | 0.106 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -141.4 | 68.7 | 178.5 | -165 | 173.3 | 133 | -108.6 | -9.3 | 110.3 | F126 D129 D885 T920 | F126-R887 HydrophobicContact CE2-CB 4Å; D129-R887 PolarHBondContact O-NH1 3.05Å; D129-R887 PolarHBondContact O-NH2 3.33Å; D885-R887 PolarHBondContact O-N 2.77Å; D885-R887 PolarHBondContact OD1-N 3.04Å; R887-T920 HydrophobicContact CG-CG2 3.7Å |
| 888 | P | 89.7 | Confident | 93.8 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | trans | -59.4 | 147.1 | 177.6 | 28.8 | -36.6 | 0 | 0 | 0 | 110.6 | D885 L892 L916 Y918 L923 | D885-P888 WeakPolarHBondContact O-CD 3.39Å; P888-L892 HydrophobicContact CB-CD2 4.47Å; P888-L916 HydrophobicContact CB-CD2 4.01Å; P888-L916 HydrophobicContact CG-CD2 4.1Å; P888-Y918 WeakPolarHBondContact CG-O 3.36Å; P888-L923 HydrophobicContact CG-CD2 3.98Å | ||
| 889 | T | 88.6 | Confident | 93.6 | Very high | 42 Ų | 42 | 19.1 Ų | 19.1 | 26% | 0.258 | 10% | 0.098 | S | C | . | . | trans | -110.4 | 153.9 | -173.7 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | S891 L892 | T889-S891 PolarHBondContact O-N 2.81Å; T889-S891 VanDerWaalsContact O-N 3.11Å; T889-L892 VanDerWaalsContact O-CB 3.28Å; T889-L892 WeakPolarHBondContact O-CB 3.34Å; T889-L892 PolarHBondContact O-N 2.91Å | ||
| 890 | C | 91.7 | Very high | 93.6 | Very high | 33 Ų | 33 | 14.4 Ų | 14.4 | 22% | 0.223 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -24 | 173.1 | -47.3 | 0 | 0 | 0 | 0 | 112.5 | L892 L893 E894 E922 W926 | C890-L892 VanDerWaalsContact C-N 3.3Å; C890-L892 PolarHBondContact O-N 2.87Å; C890-L893 PolarHBondContact O-N 2.77Å; C890-E894 PolarHBondContact O-N 2.63Å; C890-E922 PolarHBondContact SG-O 3.38Å; C890-E922 VanDerWaalsContact SG-O 3.37Å; C890-W926 HydrophobicContact CB-CB 4.09Å; C890-W926 HydrophobicContact CB-CD2 4.44Å; C890-W926 HydrophobicContact CB-CG 3.78Å |
| 891 | S | 91.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 17.7 Ų | 17.7 | 34% | 0.336 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -64.1 | -30.1 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | T889 S895 | T889-S891 PolarHBondContact O-N 2.81Å; T889-S891 VanDerWaalsContact O-N 3.11Å; S891-S895 WeakPolarHBondContact O-CB 3.33Å; S891-S895 PolarHBondContact O-N 2.91Å; S891-S895 PolarHBondContact O-OG 3Å |
| 892 | L | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 172.1 | 175.6 | 63.1 | 0 | 0 | 0 | 111.1 | L859 G863 V868 F873 A883 P888 T889 C890 S895 L896 | L859-L892 HydrophobicContact CD1-CD1 3.84Å; L859-L892 HydrophobicContact CD1-CD2 4.29Å; G863-L892 WeakPolarHBondContact O-CD1 3.32Å; G863-L892 WeakPolarHBondContact O-CD2 3.43Å; V868-L892 HydrophobicContact CG1-CD1 3.9Å; F873-L892 HydrophobicContact CE2-CD1 4.15Å; F873-L892 HydrophobicContact CZ-CD1 3.92Å; A883-L892 HydrophobicContact CB-CD2 4.04Å; P888-L892 HydrophobicContact CB-CD2 4.47Å; T889-L892 VanDerWaalsContact O-CB 3.28Å; T889-L892 WeakPolarHBondContact O-CB 3.34Å; T889-L892 PolarHBondContact O-N 2.91Å; C890-L892 VanDerWaalsContact C-N 3.3Å; C890-L892 PolarHBondContact O-N 2.87Å; L892-S895 WeakPolarHBondContact O-CB 3.43Å; L892-S895 PolarHBondContact O-N 2.85Å; L892-L896 PolarHBondContact O-N 3.2Å |
| 893 | L | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.8 | -41.9 | 179.7 | -64.7 | 178.2 | 0 | 0 | 0 | 112 | C890 S895 L896 V897 L914 L923 W926 L927 | C890-L893 PolarHBondContact O-N 2.77Å; L893-S895 VanDerWaalsContact C-N 3.27Å; L893-S895 PolarHBondContact O-N 2.88Å; L893-L896 PolarHBondContact O-N 3.1Å; L893-V897 WeakPolarHBondContact O-CG2 3.26Å; L893-V897 PolarHBondContact O-N 2.91Å; L893-L914 HydrophobicContact CD2-CD2 3.34Å; L893-L923 HydrophobicContact CD1-CD1 3.46Å; L893-L923 VanDerWaalsContact CD1-CD1 3.46Å; L893-L923 HydrophobicContact CD1-CD2 4.43Å; L893-L923 HydrophobicContact CD1-CG 3.73Å; L893-L923 HydrophobicContact CG-CD1 3.98Å; L893-W926 HydrophobicContact CB-CD2 4.29Å; L893-W926 HydrophobicContact CB-CE3 3.75Å; L893-W926 HydrophobicContact CB-CH2 3.56Å; L893-W926 HydrophobicContact CB-CZ2 4.08Å; L893-W926 HydrophobicContact CB-CZ3 3.39Å; L893-W926 HydrophobicContact CD1-CD2 4.23Å; L893-W926 HydrophobicContact CD1-CE3 3.4Å; L893-W926 HydrophobicContact CD1-CZ3 3.68Å; L893-W926 HydrophobicContact CG-CE3 4.23Å; L893-W926 HydrophobicContact CG-CZ3 4.12Å; L893-L927 HydrophobicContact CD1-CD1 4.49Å; L893-L927 HydrophobicContact CD1-CD2 3.62Å; L893-L927 HydrophobicContact CD1-CG 3.83Å |
| 894 | E | 95 | Very high | 92.6 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | 172 | -169 | 64.3 | -132.2 | 0 | 0 | 111.3 | C890 V897 V898 W926 R933 | C890-E894 PolarHBondContact O-N 2.63Å; E894-V897 PolarHBondContact O-N 3.42Å; E894-V898 HydrophobicContact CG-CG2 4.38Å; E894-V898 WeakPolarHBondContact O-CB 3.47Å; E894-V898 VanDerWaalsContact O-CG2 3.31Å; E894-V898 WeakPolarHBondContact O-CG2 3.19Å; E894-V898 PolarHBondContact O-N 3.16Å; E894-V898 WeakPolarHBondContact OE1-CG2 3.26Å; E894-W926 HydrophobicContact CB-CZ2 4.27Å; E894-W926 WeakPolarHBondContact OE2-CZ2 3.41Å; E894-R933 IonicContact OE1-CZ 3.35Å; E894-R933 IonicContact OE1-NH1 2.7Å; E894-R933 PolarHBondContact OE1-NH1 3.3Å; E894-R933 IonicContact OE1-NH2 2.76Å; E894-R933 PolarHBondContact OE1-NH2 2.83Å; E894-R933 IonicContact OE2-CZ 2.98Å; E894-R933 IonicContact OE2-NH1 3.77Å; E894-R933 PolarHBondContact OE2-NH1 2.87Å; E894-R933 IonicContact OE2-NH2 3.04Å |
| 895 | S | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.1 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | G829 F873 S891 L892 L893 G899 | G829-S895 PolarHBondContact O-OG 2.9Å; G829-S895 VanDerWaalsContact O-OG 3.06Å; F873-S895 WeakPolarHBondContact CD2-O 3.34Å; S891-S895 WeakPolarHBondContact O-CB 3.33Å; S891-S895 PolarHBondContact O-N 2.91Å; S891-S895 PolarHBondContact O-OG 3Å; L892-S895 WeakPolarHBondContact O-CB 3.43Å; L892-S895 PolarHBondContact O-N 2.85Å; L893-S895 VanDerWaalsContact C-N 3.27Å; L893-S895 PolarHBondContact O-N 2.88Å; S895-G899 PolarHBondContact O-N 3.39Å |
| 896 | L | 96.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 175.3 | 171 | 61.3 | 0 | 0 | 0 | 111.3 | F873 Y881 L892 L893 G899 K900 V912 L914 V939 | F873-L896 HydrophobicContact CD1-CB 4.34Å; F873-L896 HydrophobicContact CD1-CD1 3.46Å; F873-L896 VanDerWaalsContact CD1-CD1 3.46Å; F873-L896 HydrophobicContact CD1-CG 4.49Å; F873-L896 HydrophobicContact CD2-CB 4.36Å; F873-L896 HydrophobicContact CE1-CB 4.18Å; F873-L896 HydrophobicContact CE1-CD1 3.68Å; F873-L896 HydrophobicContact CE1-CG 4.45Å; F873-L896 HydrophobicContact CE2-CB 4.2Å; F873-L896 HydrophobicContact CG-CB 4.41Å; F873-L896 HydrophobicContact CG-CD1 4.08Å; F873-L896 HydrophobicContact CZ-CB 4.1Å; F873-L896 HydrophobicContact CZ-CD1 4.45Å; Y881-L896 HydrophobicContact CD2-CD1 3.87Å; Y881-L896 HydrophobicContact CE2-CD1 3.79Å; L892-L896 PolarHBondContact O-N 3.2Å; L893-L896 PolarHBondContact O-N 3.1Å; L896-G899 WeakPolarHBondContact O-CA 3.49Å; L896-G899 PolarHBondContact O-N 2.86Å; L896-K900 PolarHBondContact O-N 3.06Å; L896-V912 HydrophobicContact CD1-CG1 4.23Å; L896-L914 HydrophobicContact CD2-CB 4.05Å; L896-L914 HydrophobicContact CD2-CD1 4.43Å; L896-L914 HydrophobicContact CD2-CD2 4.01Å; L896-L914 HydrophobicContact CD2-CG 4.4Å; L896-V939 HydrophobicContact CD2-CG1 3.79Å; L896-V939 HydrophobicContact CG-CG1 4.26Å |
| 897 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -51.8 | -179.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L893 E894 G899 K900 E901 W926 L934 | L893-V897 WeakPolarHBondContact O-CG2 3.26Å; L893-V897 PolarHBondContact O-N 2.91Å; E894-V897 PolarHBondContact O-N 3.42Å; V897-G899 PolarHBondContact O-N 3.18Å; V897-G899 VanDerWaalsContact O-N 3.16Å; V897-K900 PolarHBondContact O-N 3.26Å; V897-E901 HydrophobicContact CG1-CG 3.95Å; V897-E901 VanDerWaalsContact CG1-OE1 3.22Å; V897-E901 WeakPolarHBondContact CG1-OE1 3.41Å; V897-E901 WeakPolarHBondContact O-CB 3.35Å; V897-E901 VanDerWaalsContact O-CG 3.3Å; V897-E901 WeakPolarHBondContact O-CG 3.44Å; V897-E901 PolarHBondContact O-N 2.63Å; V897-W926 HydrophobicContact CG2-CH2 4.05Å; V897-L934 HydrophobicContact CG2-CD2 3.6Å |
| 898 | V | 94.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -27.3 | 174.6 | 172 | 0 | 0 | 0 | 0 | 112.3 | P828 Y830 A870 K874 E894 | P828-V898 HydrophobicContact CB-CG2 4.44Å; Y830-V898 HydrophobicContact CE2-CG1 4.46Å; A870-V898 HydrophobicContact CB-CB 4.34Å; A870-V898 HydrophobicContact CB-CG1 4.04Å; K874-V898 WeakPolarHBondContact CE-O 3.47Å; E894-V898 HydrophobicContact CG-CG2 4.38Å; E894-V898 WeakPolarHBondContact O-CB 3.47Å; E894-V898 VanDerWaalsContact O-CG2 3.31Å; E894-V898 WeakPolarHBondContact O-CG2 3.19Å; E894-V898 PolarHBondContact O-N 3.16Å; E894-V898 WeakPolarHBondContact OE1-CG2 3.26Å |
| 899 | G | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -58.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S895 L896 V897 S902 W903 | S895-G899 PolarHBondContact O-N 3.39Å; L896-G899 WeakPolarHBondContact O-CA 3.49Å; L896-G899 PolarHBondContact O-N 2.86Å; V897-G899 PolarHBondContact O-N 3.18Å; V897-G899 VanDerWaalsContact O-N 3.16Å; G899-S902 PolarHBondContact O-N 3.39Å; G899-S902 PolarHBondContact O-OG 3.36Å; G899-W903 PolarHBondContact O-NE1 3.03Å |
| 900 | K | 95.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | -176.2 | -173.5 | 53.4 | 155.6 | 66.2 | 0 | 113.5 | L896 V897 S902 W903 A908 L910 V912 C937 V939 | L896-K900 PolarHBondContact O-N 3.06Å; V897-K900 PolarHBondContact O-N 3.26Å; K900-S902 PolarHBondContact O-N 3.06Å; K900-S902 VanDerWaalsContact O-N 3.07Å; K900-W903 HydrophobicContact CD-CB 4.35Å; K900-W903 HydrophobicContact CD-CD2 3.41Å; K900-W903 VanDerWaalsContact CD-CD2 3.41Å; K900-W903 HydrophobicContact CD-CE3 3.35Å; K900-W903 HydrophobicContact CD-CG 3.92Å; K900-W903 HydrophobicContact CD-CH2 4.07Å; K900-W903 HydrophobicContact CD-CZ2 4.13Å; K900-W903 HydrophobicContact CD-CZ3 3.7Å; K900-W903 VanDerWaalsContact CE-CE3 3.44Å; K900-W903 WeakPolarHBondContact O-CB 3.37Å; K900-W903 PolarHBondContact O-N 3.08Å; K900-A908 PolarHBondContact NZ-O 3.11Å; K900-L910 WeakPolarHBondContact CE-O 3.32Å; K900-L910 PolarHBondContact NZ-O 2.8Å; K900-V912 HydrophobicContact CD-CG2 4.14Å; K900-V912 VanDerWaalsContact CE-CG2 3.47Å; K900-C937 WeakPolarHBondContact CE-O 3.26Å; K900-C937 HydrophobicContact CG-CB 4.06Å; K900-C937 WeakPolarHBondContact CG-O 3.41Å; K900-C937 PolarHBondContact NZ-O 3.41Å; K900-V939 HydrophobicContact CB-CG2 4.03Å; K900-V939 HydrophobicContact CG-CG2 3.78Å |
| 901 | E | 94.1 | Very high | 93.3 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | 173.6 | -76.5 | 174 | 172.2 | 0 | 0 | 112.6 | V897 R933 C937 | V897-E901 HydrophobicContact CG1-CG 3.95Å; V897-E901 VanDerWaalsContact CG1-OE1 3.22Å; V897-E901 WeakPolarHBondContact CG1-OE1 3.41Å; V897-E901 WeakPolarHBondContact O-CB 3.35Å; V897-E901 VanDerWaalsContact O-CG 3.3Å; V897-E901 WeakPolarHBondContact O-CG 3.44Å; V897-E901 PolarHBondContact O-N 2.63Å; E901-R933 IonicContact OE1-CZ 2.79Å; E901-R933 IonicContact OE1-NE 2.68Å; E901-R933 PolarHBondContact OE1-NE 2.8Å; E901-R933 IonicContact OE1-NH2 3.04Å; E901-R933 PolarHBondContact OE1-NH2 3.28Å; E901-R933 IonicContact OE2-NH2 3.32Å; E901-C937 WeakPolarHBondContact CG-SG 3.35Å |
| 902 | S | 91.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -1.8 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 115.2 | K874 G899 K900 | K874-S902 VanDerWaalsContact CE-OG 3.25Å; K874-S902 WeakPolarHBondContact CE-OG 3.23Å; K874-S902 VanDerWaalsContact CG-OG 3.31Å; K874-S902 WeakPolarHBondContact CG-OG 3.24Å; G899-S902 PolarHBondContact O-N 3.39Å; G899-S902 PolarHBondContact O-OG 3.36Å; K900-S902 PolarHBondContact O-N 3.06Å; K900-S902 VanDerWaalsContact O-N 3.07Å |
| 903 | W | 93.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 43 Ų | 43 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | trans | -72.9 | 141.9 | 173.4 | -63.1 | 16.6 | 0 | 0 | 0 | 109.1 | F873 R877 G899 K900 D907 L910 V912 | F873-W903 PolarHBondContact O-NE1 2.6Å; R877-W903 HydrophobicContact CB-CH2 3.69Å; R877-W903 HydrophobicContact CB-CZ2 3.77Å; R877-W903 HydrophobicContact CB-CZ3 4.27Å; R877-W903 HydrophobicContact CG-CD2 4.23Å; R877-W903 HydrophobicContact CG-CH2 3.86Å; R877-W903 HydrophobicContact CG-CZ2 3.45Å; R877-W903 VanDerWaalsContact CG-CZ2 3.45Å; R877-W903 HydrophobicContact CG-CZ3 4.37Å; G899-W903 PolarHBondContact O-NE1 3.03Å; K900-W903 HydrophobicContact CD-CB 4.35Å; K900-W903 HydrophobicContact CD-CD2 3.41Å; K900-W903 VanDerWaalsContact CD-CD2 3.41Å; K900-W903 HydrophobicContact CD-CE3 3.35Å; K900-W903 HydrophobicContact CD-CG 3.92Å; K900-W903 HydrophobicContact CD-CH2 4.07Å; K900-W903 HydrophobicContact CD-CZ2 4.13Å; K900-W903 HydrophobicContact CD-CZ3 3.7Å; K900-W903 VanDerWaalsContact CE-CE3 3.44Å; K900-W903 WeakPolarHBondContact O-CB 3.37Å; K900-W903 PolarHBondContact O-N 3.08Å; W903-D907 HydrophobicContact CB-CB 4.22Å; W903-D907 HydrophobicContact CE3-CB 4.45Å; W903-L910 HydrophobicContact CZ3-CB 4.3Å; W903-L910 HydrophobicContact CZ3-CD1 4.44Å; W903-V912 HydrophobicContact CH2-CG2 3.53Å; W903-V912 HydrophobicContact CZ2-CG2 4.49Å; W903-V912 HydrophobicContact CZ3-CG2 3.72Å | ||
| 904 | S | 89.7 | Confident | 93.8 | Very high | 84 Ų | 84 | 43 Ų | 43 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | trans | -143.7 | 156.4 | -167.3 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 905 | G | 89 | Confident | 93.9 | Very high | 61 Ų | 61 | 41 Ų | 41 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 66.4 | -150.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D907 A908 | G905-D907 PolarHBondContact O-N 2.71Å; G905-A908 WeakPolarHBondContact O-CB 3.46Å; G905-A908 PolarHBondContact O-N 2.77Å |
| 906 | D | 88.1 | Confident | 93.9 | Very high | 152 Ų | 152 | 41.1 Ų | 41.1 | 81% | 0.813 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -53.4 | -29.3 | -179.4 | -51 | -18.8 | 0 | 0 | 0 | 112.9 | A908 Q909 | D906-A908 VanDerWaalsContact C-N 3.26Å; D906-A908 PolarHBondContact O-N 3.25Å; D906-Q909 PolarHBondContact O-N 2.89Å |
| 907 | D | 92 | Very high | 93.7 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62.7 | -29.3 | 178.7 | -64.1 | -61.6 | 0 | 0 | 0 | 113.7 | Y853 R877 W903 G905 Q909 L910 | Y853-D907 WeakPolarHBondContact CE1-OD1 3.47Å; Y853-D907 VanDerWaalsContact CZ-OD1 3.3Å; Y853-D907 PolarHBondContact OH-OD1 2.88Å; Y853-D907 PolarHBondContact OH-OD2 3.17Å; R877-D907 IonicContact CZ-OD2 3.91Å; R877-D907 IonicContact NH1-OD1 2.67Å; R877-D907 PolarHBondContact NH1-OD1 2.89Å; R877-D907 IonicContact NH1-OD2 3.69Å; R877-D907 PolarHBondContact NH1-OD2 3.22Å; W903-D907 HydrophobicContact CB-CB 4.22Å; W903-D907 HydrophobicContact CE3-CB 4.45Å; G905-D907 PolarHBondContact O-N 2.71Å; D907-Q909 PolarHBondContact O-N 3.48Å; D907-L910 HydrophobicContact CB-CD1 4.21Å; D907-L910 WeakPolarHBondContact O-CB 3.16Å; D907-L910 PolarHBondContact O-N 3.21Å; D907-L910 VanDerWaalsContact O-N 3.14Å |
| 908 | A | 92.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -59.9 | -33.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K900 G905 D906 | K900-A908 PolarHBondContact NZ-O 3.11Å; G905-A908 WeakPolarHBondContact O-CB 3.46Å; G905-A908 PolarHBondContact O-N 2.77Å; D906-A908 VanDerWaalsContact C-N 3.26Å; D906-A908 PolarHBondContact O-N 3.25Å |
| 909 | Q | 93.2 | Very high | 93.3 | Very high | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -89.3 | 4.2 | -178.2 | -60 | -67.7 | -91.6 | 0 | 0 | 113.8 | D906 D907 H938 | D906-Q909 PolarHBondContact O-N 2.89Å; D907-Q909 PolarHBondContact O-N 3.48Å; Q909-H938 PolarHBondContact NE2-NE2 3.32Å; Q909-H938 VanDerWaalsContact NE2-NE2 3.11Å |
| 910 | L | 94.8 | Very high | 93 | Very high | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | trans | -75.4 | 129 | 174.8 | -65.6 | 173 | 0 | 0 | 0 | 110.6 | P506 Y853 K900 W903 D907 | P506-L910 HydrophobicContact CB-CD1 3.65Å; P506-L910 HydrophobicContact CB-CD2 4.06Å; P506-L910 HydrophobicContact CG-CD1 4.05Å; P506-L910 HydrophobicContact CG-CD2 4.29Å; Y853-L910 HydrophobicContact CE1-CD1 4.32Å; K900-L910 WeakPolarHBondContact CE-O 3.32Å; K900-L910 PolarHBondContact NZ-O 2.8Å; W903-L910 HydrophobicContact CZ3-CB 4.3Å; W903-L910 HydrophobicContact CZ3-CD1 4.44Å; D907-L910 HydrophobicContact CB-CD1 4.21Å; D907-L910 WeakPolarHBondContact O-CB 3.16Å; D907-L910 PolarHBondContact O-N 3.21Å; D907-L910 VanDerWaalsContact O-N 3.14Å | ||
| 911 | D | 95 | Very high | 92.6 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | trans | -72.8 | 138.7 | 173.9 | -51.3 | -56.4 | 0 | 0 | 0 | 111.7 | H938 | D911-H938 IonicContact OD1-CG 3.78Å; D911-H938 IonicContact OD1-ND1 3.91Å; D911-H938 PolarHBondContact OD1-ND1 3.15Å | ||
| 912 | V | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.2 | -178.6 | 168.9 | 0 | 0 | 0 | 0 | 109.3 | Y881 L896 K900 W903 H938 V939 N940 | Y881-V912 HydrophobicContact CD2-CG1 3.62Å; Y881-V912 HydrophobicContact CE2-CG1 3.51Å; L896-V912 HydrophobicContact CD1-CG1 4.23Å; K900-V912 HydrophobicContact CD-CG2 4.14Å; K900-V912 VanDerWaalsContact CE-CG2 3.47Å; W903-V912 HydrophobicContact CH2-CG2 3.53Å; W903-V912 HydrophobicContact CZ2-CG2 4.49Å; W903-V912 HydrophobicContact CZ3-CG2 3.72Å; V912-H938 PolarHBondContact N-O 3.1Å; V912-V939 WeakPolarHBondContact O-CA 3.49Å; V912-N940 PolarHBondContact O-N 3.29Å |
| 913 | S | 96.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.8 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | R879 Y880 Y881 N940 | R879-S913 PolarHBondContact O-N 3.13Å; Y880-S913 CarbonylContact C-O 3.59Å; Y880-S913 WeakPolarHBondContact CA-O 3.45Å; Y880-S913 VanDerWaalsContact CD1-CB 3.47Å; Y881-S913 PolarHBondContact N-O 2.88Å; S913-N940 CarbonylContact C-O 3.51Å; S913-N940 WeakPolarHBondContact CA-O 3.45Å |
| 914 | L | 96.6 | Very high | 92 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.4 | 163.5 | -176.4 | 66.1 | 0 | 0 | 0 | 109.5 | A883 L893 L896 L916 N940 V941 A942 | A883-L914 HydrophobicContact CB-CD1 4.27Å; L893-L914 HydrophobicContact CD2-CD2 3.34Å; L896-L914 HydrophobicContact CD2-CB 4.05Å; L896-L914 HydrophobicContact CD2-CD1 4.43Å; L896-L914 HydrophobicContact CD2-CD2 4.01Å; L896-L914 HydrophobicContact CD2-CG 4.4Å; L914-L916 HydrophobicContact CD2-CD1 4.41Å; L914-L916 HydrophobicContact CD2-CD2 4.01Å; L914-L916 HydrophobicContact CD2-CG 4.08Å; L914-L916 HydrophobicContact CG-CD2 4.39Å; L914-L916 HydrophobicContact CG-CG 4.2Å; L914-N940 PolarHBondContact N-O 3.09Å; L914-V941 CarbonylContact O-C 3.49Å; L914-V941 WeakPolarHBondContact O-CA 3.49Å; L914-A942 PolarHBondContact O-N 3.14Å |
| 915 | I | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.4 | 171.5 | -63.1 | 164.8 | 0 | 0 | 0 | 107 | Y880 Y881 A883 A942 A943 I945 Y970 I972 | Y880-I915 HydrophobicContact CD1-CD1 3.89Å; Y881-I915 PolarHBondContact O-N 3Å; A883-I915 PolarHBondContact N-O 3.37Å; I915-A942 HydrophobicContact CG1-CB 4.31Å; I915-A943 HydrophobicContact CG2-CB 4.47Å; I915-I945 HydrophobicContact CG2-CD1 3.75Å; I915-I945 HydrophobicContact CG2-CG1 3.63Å; I915-Y970 HydrophobicContact CD1-CD1 3.9Å; I915-Y970 HydrophobicContact CD1-CE1 3.68Å; I915-Y970 HydrophobicContact CG1-CD1 4.42Å; I915-Y970 HydrophobicContact CG1-CE1 4.19Å; I915-Y970 HydrophobicContact CG2-CD1 4.32Å; I915-I972 HydrophobicContact CD1-CD1 3.27Å; I915-I972 HydrophobicContact CD1-CG1 3.71Å |
| 916 | L | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.9 | -176.3 | -70.9 | 162 | 0 | 0 | 0 | 109.4 | A883 P888 L914 Y918 L923 V941 A943 V944 I945 | A883-L916 HydrophobicContact CB-CD2 4.05Å; A883-L916 CarbonylContact O-C 3.53Å; A883-L916 WeakPolarHBondContact O-CA 3.34Å; P888-L916 HydrophobicContact CB-CD2 4.01Å; P888-L916 HydrophobicContact CG-CD2 4.1Å; L914-L916 HydrophobicContact CD2-CD1 4.41Å; L914-L916 HydrophobicContact CD2-CD2 4.01Å; L914-L916 HydrophobicContact CD2-CG 4.08Å; L914-L916 HydrophobicContact CG-CD2 4.39Å; L914-L916 HydrophobicContact CG-CG 4.2Å; L916-Y918 VanDerWaalsContact C-N 3.33Å; L916-Y918 WeakPolarHBondContact CB-O 3.34Å; L916-L923 HydrophobicContact CD1-CD2 3.69Å; L916-L923 HydrophobicContact CD2-CD2 4.43Å; L916-V941 HydrophobicContact CD1-CG1 3.77Å; L916-A943 PolarHBondContact N-O 2.74Å; L916-V944 HydrophobicContact CB-CG2 4.35Å; L916-V944 HydrophobicContact CD1-CG2 4.38Å; L916-V944 CarbonylContact O-C 3.07Å; L916-V944 VanDerWaalsContact O-CA 3.25Å; L916-V944 WeakPolarHBondContact O-CA 3.48Å; L916-I945 WeakPolarHBondContact O-CG1 3.37Å; L916-I945 PolarHBondContact O-N 3.22Å |
| 917 | A | 93.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.7 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A883 T884 I945 S946 | A883-A917 PolarHBondContact O-N 3.3Å; T884-A917 HydrophobicContact CG2-CB 4.3Å; A917-I945 HydrophobicContact CB-CD1 4.4Å; A917-S946 VanDerWaalsContact O-CB 3.22Å; A917-S946 WeakPolarHBondContact O-CB 3.29Å; A917-S946 PolarHBondContact O-N 3.29Å; A917-S946 PolarHBondContact O-OG 3.16Å; A917-S946 VanDerWaalsContact O-OG 3.11Å |
| 918 | Y | 92 | Very high | 92.6 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | trans | -137.5 | 171.1 | -177.3 | -59.8 | -79.5 | 0 | 0 | 0 | 110.4 | P259 G261 V886 P888 L916 | P259-Y918 HydrophobicContact CB-CE1 4.32Å; P259-Y918 PolarHBondContact O-OH 2.84Å; G261-Y918 VanDerWaalsContact CA-OH 3.26Å; G261-Y918 WeakPolarHBondContact CA-OH 3.5Å; G261-Y918 PolarHBondContact N-OH 2.89Å; V886-Y918 HydrophobicContact CB-CD2 4.27Å; V886-Y918 HydrophobicContact CG1-CD2 4.02Å; V886-Y918 HydrophobicContact CG1-CE2 3.89Å; P888-Y918 WeakPolarHBondContact CG-O 3.36Å; L916-Y918 VanDerWaalsContact C-N 3.33Å; L916-Y918 WeakPolarHBondContact CB-O 3.34Å | ||
| 919 | E | 90.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | trans | -139.9 | 172.7 | 178.3 | 61.6 | 170.2 | -115.9 | 0 | 0 | 110.7 | L923 L924 V944 R947 | E919-L923 HydrophobicContact CB-CD2 4.28Å; E919-L924 VanDerWaalsContact OE1-CD1 3.31Å; E919-L924 WeakPolarHBondContact OE1-CD1 3.37Å; E919-L924 WeakPolarHBondContact OE1-CG 3.48Å; E919-V944 HydrophobicContact CB-CG1 4.15Å; E919-V944 HydrophobicContact CB-CG2 4.39Å; E919-V944 HydrophobicContact CG-CG1 4.05Å; E919-V944 WeakPolarHBondContact OE2-CG2 3.11Å; E919-R947 VanDerWaalsContact CD-NH2 3.34Å; E919-R947 IonicContact OE1-CZ 2.65Å; E919-R947 IonicContact OE1-NH1 2.83Å; E919-R947 PolarHBondContact OE1-NH1 3.18Å; E919-R947 IonicContact OE1-NH2 3.18Å; E919-R947 PolarHBondContact OE1-NH2 3.22Å; E919-R947 IonicContact OE2-CZ 3.58Å; E919-R947 IonicContact OE2-NH1 2.71Å; E919-R947 PolarHBondContact OE2-NH1 3.08Å; E919-R947 IonicContact OE2-NH2 2.63Å | ||
| 920 | T | 87.4 | Confident | 92.9 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 13% | 0.129 | 22% | 0.219 | C | C | . | . | trans | -133.5 | 160.8 | 171 | 85.6 | 0 | 0 | 0 | 0 | 110 | R887 E922 L923 L924 | R887-T920 HydrophobicContact CG-CG2 3.7Å; T920-E922 VanDerWaalsContact C-N 3.29Å; T920-E922 WeakPolarHBondContact CB-OE2 3.37Å; T920-E922 PolarHBondContact O-N 3.41Å; T920-E922 PolarHBondContact OG1-N 2.85Å; T920-E922 PolarHBondContact OG1-OE2 2.87Å; T920-L923 VanDerWaalsContact O-CB 3.26Å; T920-L923 WeakPolarHBondContact O-CB 3.24Å; T920-L923 PolarHBondContact O-N 3.11Å; T920-L923 VanDerWaalsContact O-N 3.12Å; T920-L923 PolarHBondContact OG1-N 2.79Å; T920-L923 VanDerWaalsContact OG1-N 3.17Å; T920-L924 PolarHBondContact O-N 2.86Å | ||
| 921 | E | 86.5 | Confident | 92.8 | Very high | 145 Ų | 145 | 40.6 Ų | 40.6 | 68% | 0.678 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.8 | -40.8 | 177.7 | -174.8 | 178.7 | 176.7 | 0 | 0 | 111.6 | L923 L924 I925 | E921-L923 VanDerWaalsContact C-N 3.27Å; E921-L923 PolarHBondContact O-N 2.67Å; E921-L924 WeakPolarHBondContact O-CB 3.41Å; E921-L924 PolarHBondContact O-N 2.83Å; E921-I925 HydrophobicContact CG-CD1 4.12Å; E921-I925 WeakPolarHBondContact O-CG1 3.43Å; E921-I925 PolarHBondContact O-N 2.91Å |
| 922 | E | 86.2 | Confident | 92.8 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.3 | -29.7 | 177.8 | -44.1 | 87.9 | 161.5 | 0 | 0 | 111.8 | H133 C890 T920 W926 | H133-E922 IonicContact CD2-OE1 3.62Å; H133-E922 IonicContact CE1-OE1 2.94Å; H133-E922 PolarHBondContact CE1-OE1 2.97Å; H133-E922 IonicContact NE2-OE1 3.99Å; H133-E922 PolarHBondContact NE2-OE1 2.94Å; C890-E922 PolarHBondContact SG-O 3.38Å; C890-E922 VanDerWaalsContact SG-O 3.37Å; T920-E922 VanDerWaalsContact C-N 3.29Å; T920-E922 WeakPolarHBondContact CB-OE2 3.37Å; T920-E922 PolarHBondContact O-N 3.41Å; T920-E922 PolarHBondContact OG1-N 2.85Å; T920-E922 PolarHBondContact OG1-OE2 2.87Å; E922-W926 VanDerWaalsContact O-CB 3.32Å; E922-W926 WeakPolarHBondContact O-CB 3.32Å; E922-W926 PolarHBondContact O-N 3.04Å |
| 923 | L | 89 | Confident | 92.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 172.5 | -157.5 | 84.3 | 0 | 0 | 0 | 111 | P888 L893 L916 E919 T920 E921 W926 L927 | P888-L923 HydrophobicContact CG-CD2 3.98Å; L893-L923 HydrophobicContact CD1-CD1 3.46Å; L893-L923 VanDerWaalsContact CD1-CD1 3.46Å; L893-L923 HydrophobicContact CD1-CD2 4.43Å; L893-L923 HydrophobicContact CD1-CG 3.73Å; L893-L923 HydrophobicContact CG-CD1 3.98Å; L916-L923 HydrophobicContact CD1-CD2 3.69Å; L916-L923 HydrophobicContact CD2-CD2 4.43Å; E919-L923 HydrophobicContact CB-CD2 4.28Å; T920-L923 VanDerWaalsContact O-CB 3.26Å; T920-L923 WeakPolarHBondContact O-CB 3.24Å; T920-L923 PolarHBondContact O-N 3.11Å; T920-L923 VanDerWaalsContact O-N 3.12Å; T920-L923 PolarHBondContact OG1-N 2.79Å; T920-L923 VanDerWaalsContact OG1-N 3.17Å; E921-L923 VanDerWaalsContact C-N 3.27Å; E921-L923 PolarHBondContact O-N 2.67Å; L923-W926 PolarHBondContact O-N 3.01Å; L923-L927 WeakPolarHBondContact O-CB 3.42Å; L923-L927 VanDerWaalsContact O-CG 3.25Å; L923-L927 WeakPolarHBondContact O-CG 3.3Å; L923-L927 PolarHBondContact O-N 3.1Å |
| 924 | L | 90.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 175 | -69.4 | -177.3 | 0 | 0 | 0 | 111.6 | E919 T920 E921 W926 L927 G928 | E919-L924 VanDerWaalsContact OE1-CD1 3.31Å; E919-L924 WeakPolarHBondContact OE1-CD1 3.37Å; E919-L924 WeakPolarHBondContact OE1-CG 3.48Å; T920-L924 PolarHBondContact O-N 2.86Å; E921-L924 WeakPolarHBondContact O-CB 3.41Å; E921-L924 PolarHBondContact O-N 2.83Å; L924-W926 PolarHBondContact O-N 3.18Å; L924-L927 PolarHBondContact O-N 3.39Å; L924-G928 PolarHBondContact O-N 2.83Å |
| 925 | I | 92.9 | Very high | 92.5 | Very high | 101 Ų | 101 | 45.9 Ų | 45.9 | 52% | 0.518 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.3 | -67 | 164.5 | 0 | 0 | 0 | 110.2 | E921 L927 G928 V929 | E921-I925 HydrophobicContact CG-CD1 4.12Å; E921-I925 WeakPolarHBondContact O-CG1 3.43Å; E921-I925 PolarHBondContact O-N 2.91Å; I925-L927 PolarHBondContact O-N 2.91Å; I925-G928 PolarHBondContact O-N 2.86Å; I925-V929 HydrophobicContact CG2-CG2 4.5Å; I925-V929 WeakPolarHBondContact O-CG2 3.47Å; I925-V929 PolarHBondContact O-N 3.38Å |
| 926 | W | 93.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 52 Ų | 52 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.2 | -173.8 | 99.2 | 0 | 0 | 0 | 112 | C890 L893 E894 V897 E922 L923 L924 V929 N930 L934 | C890-W926 HydrophobicContact CB-CB 4.09Å; C890-W926 HydrophobicContact CB-CD2 4.44Å; C890-W926 HydrophobicContact CB-CG 3.78Å; L893-W926 HydrophobicContact CB-CD2 4.29Å; L893-W926 HydrophobicContact CB-CE3 3.75Å; L893-W926 HydrophobicContact CB-CH2 3.56Å; L893-W926 HydrophobicContact CB-CZ2 4.08Å; L893-W926 HydrophobicContact CB-CZ3 3.39Å; L893-W926 HydrophobicContact CD1-CD2 4.23Å; L893-W926 HydrophobicContact CD1-CE3 3.4Å; L893-W926 HydrophobicContact CD1-CZ3 3.68Å; L893-W926 HydrophobicContact CG-CE3 4.23Å; L893-W926 HydrophobicContact CG-CZ3 4.12Å; E894-W926 HydrophobicContact CB-CZ2 4.27Å; E894-W926 WeakPolarHBondContact OE2-CZ2 3.41Å; V897-W926 HydrophobicContact CG2-CH2 4.05Å; E922-W926 VanDerWaalsContact O-CB 3.32Å; E922-W926 WeakPolarHBondContact O-CB 3.32Å; E922-W926 PolarHBondContact O-N 3.04Å; L923-W926 PolarHBondContact O-N 3.01Å; L924-W926 PolarHBondContact O-N 3.18Å; W926-V929 PolarHBondContact O-N 3.48Å; W926-N930 HydrophobicContact CD2-CB 4.24Å; W926-N930 VanDerWaalsContact CE2-ND2 3.26Å; W926-N930 HydrophobicContact CE3-CB 4.01Å; W926-N930 HydrophobicContact CH2-CB 3.79Å; W926-N930 HydrophobicContact CZ2-CB 4.05Å; W926-N930 HydrophobicContact CZ3-CB 3.76Å; W926-N930 PolarHBondContact NE1-ND2 3.27Å; W926-N930 WeakPolarHBondContact O-CB 3.49Å; W926-N930 PolarHBondContact O-N 2.88Å; W926-N930 PolarHBondContact O-ND2 3.07Å; W926-L934 HydrophobicContact CH2-CD2 4.49Å; W926-L934 HydrophobicContact CZ3-CD1 4.12Å; W926-L934 HydrophobicContact CZ3-CD2 4.23Å; W926-L934 HydrophobicContact CZ3-CG 4.41Å |
| 927 | L | 93 | Very high | 92.3 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.9 | -75.3 | 170.5 | 0 | 0 | 0 | 111.6 | L893 L923 L924 I925 N930 A931 L934 V941 | L893-L927 HydrophobicContact CD1-CD1 4.49Å; L893-L927 HydrophobicContact CD1-CD2 3.62Å; L893-L927 HydrophobicContact CD1-CG 3.83Å; L923-L927 WeakPolarHBondContact O-CB 3.42Å; L923-L927 VanDerWaalsContact O-CG 3.25Å; L923-L927 WeakPolarHBondContact O-CG 3.3Å; L923-L927 PolarHBondContact O-N 3.1Å; L924-L927 PolarHBondContact O-N 3.39Å; I925-L927 PolarHBondContact O-N 2.91Å; L927-N930 PolarHBondContact O-N 3.5Å; L927-A931 WeakPolarHBondContact O-CA 3.48Å; L927-A931 PolarHBondContact O-N 3.42Å; L927-L934 HydrophobicContact CD2-CD1 3.67Å; L927-V941 HydrophobicContact CD1-CG2 4.16Å; L927-V941 HydrophobicContact CD2-CG2 3.61Å |
| 928 | G | 93.1 | Very high | 92.4 | Very high | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L924 I925 N930 A931 | L924-G928 PolarHBondContact O-N 2.83Å; I925-G928 PolarHBondContact O-N 2.86Å; G928-N930 VanDerWaalsContact C-N 3.32Å; G928-N930 PolarHBondContact O-N 3.24Å; G928-A931 PolarHBondContact O-N 3.48Å |
| 929 | V | 95.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -33.4 | 179 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | I925 W926 | I925-V929 HydrophobicContact CG2-CG2 4.5Å; I925-V929 WeakPolarHBondContact O-CG2 3.47Å; I925-V929 PolarHBondContact O-N 3.38Å; W926-V929 PolarHBondContact O-N 3.48Å |
| 930 | N | 95.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -100.7 | 7.1 | -177 | -69.2 | -95 | 0 | 0 | 0 | 114 | W926 L927 G928 G932 R933 L934 | W926-N930 HydrophobicContact CD2-CB 4.24Å; W926-N930 VanDerWaalsContact CE2-ND2 3.26Å; W926-N930 HydrophobicContact CE3-CB 4.01Å; W926-N930 HydrophobicContact CH2-CB 3.79Å; W926-N930 HydrophobicContact CZ2-CB 4.05Å; W926-N930 HydrophobicContact CZ3-CB 3.76Å; W926-N930 PolarHBondContact NE1-ND2 3.27Å; W926-N930 WeakPolarHBondContact O-CB 3.49Å; W926-N930 PolarHBondContact O-N 2.88Å; W926-N930 PolarHBondContact O-ND2 3.07Å; L927-N930 PolarHBondContact O-N 3.5Å; G928-N930 VanDerWaalsContact C-N 3.32Å; G928-N930 PolarHBondContact O-N 3.24Å; N930-G932 PolarHBondContact O-N 2.97Å; N930-G932 VanDerWaalsContact O-N 3.12Å; N930-R933 WeakPolarHBondContact O-CA 3.17Å; N930-R933 WeakPolarHBondContact O-CB 3.42Å; N930-R933 PolarHBondContact O-N 2.86Å; N930-R933 WeakPolarHBondContact OD1-CD 3.2Å; N930-R933 PolarHBondContact OD1-NH1 3.29Å; N930-L934 HydrophobicContact CB-CD1 4.45Å; N930-L934 WeakPolarHBondContact O-CG 3.4Å; N930-L934 PolarHBondContact O-N 3.18Å |
| 931 | A | 93.8 | Very high | 93 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -50.8 | -41.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L927 G928 L934 N935 | L927-A931 WeakPolarHBondContact O-CA 3.48Å; L927-A931 PolarHBondContact O-N 3.42Å; G928-A931 PolarHBondContact O-N 3.48Å; A931-L934 PolarHBondContact O-N 2.97Å; A931-N935 WeakPolarHBondContact O-CB 3.32Å; A931-N935 PolarHBondContact O-N 2.99Å |
| 932 | G | 94.9 | Very high | 93 | Very high | 45 Ų | 45 | 50 Ų | 50 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N930 N936 | N930-G932 PolarHBondContact O-N 2.97Å; N930-G932 VanDerWaalsContact O-N 3.12Å; G932-N936 VanDerWaalsContact O-CB 3.31Å; G932-N936 WeakPolarHBondContact O-CB 3.29Å; G932-N936 PolarHBondContact O-N 2.97Å; G932-N936 PolarHBondContact O-ND2 3.47Å; G932-N936 PolarHBondContact O-OD1 2.83Å |
| 933 | R | 94.8 | Very high | 93.1 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 174.3 | -74.4 | 179.3 | 66.4 | -156.3 | 9.4 | 111.1 | E894 E901 N930 N936 C937 | E894-R933 IonicContact OE1-CZ 3.35Å; E894-R933 IonicContact OE1-NH1 2.7Å; E894-R933 PolarHBondContact OE1-NH1 3.3Å; E894-R933 IonicContact OE1-NH2 2.76Å; E894-R933 PolarHBondContact OE1-NH2 2.83Å; E894-R933 IonicContact OE2-CZ 2.98Å; E894-R933 IonicContact OE2-NH1 3.77Å; E894-R933 PolarHBondContact OE2-NH1 2.87Å; E894-R933 IonicContact OE2-NH2 3.04Å; E901-R933 IonicContact OE1-CZ 2.79Å; E901-R933 IonicContact OE1-NE 2.68Å; E901-R933 PolarHBondContact OE1-NE 2.8Å; E901-R933 IonicContact OE1-NH2 3.04Å; E901-R933 PolarHBondContact OE1-NH2 3.28Å; E901-R933 IonicContact OE2-NH2 3.32Å; N930-R933 WeakPolarHBondContact O-CA 3.17Å; N930-R933 WeakPolarHBondContact O-CB 3.42Å; N930-R933 PolarHBondContact O-N 2.86Å; N930-R933 WeakPolarHBondContact OD1-CD 3.2Å; N930-R933 PolarHBondContact OD1-NH1 3.29Å; R933-N936 PolarHBondContact O-N 3.45Å; R933-C937 WeakPolarHBondContact O-CB 3.48Å; R933-C937 PolarHBondContact O-N 2.91Å; R933-C937 PolarHBondContact O-SG 3.38Å |
| 934 | L | 94.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 179.2 | -69.2 | 164.2 | 0 | 0 | 0 | 111.1 | V897 W926 L927 N930 A931 C937 H938 V939 | V897-L934 HydrophobicContact CG2-CD2 3.6Å; W926-L934 HydrophobicContact CH2-CD2 4.49Å; W926-L934 HydrophobicContact CZ3-CD1 4.12Å; W926-L934 HydrophobicContact CZ3-CD2 4.23Å; W926-L934 HydrophobicContact CZ3-CG 4.41Å; L927-L934 HydrophobicContact CD2-CD1 3.67Å; N930-L934 HydrophobicContact CB-CD1 4.45Å; N930-L934 WeakPolarHBondContact O-CG 3.4Å; N930-L934 PolarHBondContact O-N 3.18Å; A931-L934 PolarHBondContact O-N 2.97Å; L934-C937 CarbonylContact O-C 3.52Å; L934-C937 PolarHBondContact O-N 3.44Å; L934-C937 VanDerWaalsContact O-N 3.15Å; L934-H938 PolarHBondContact O-N 2.91Å; L934-H938 VanDerWaalsContact O-N 3.15Å; L934-V939 CarbonylContact C-O 3.54Å; L934-V939 HydrophobicContact CD2-CB 3.98Å; L934-V939 HydrophobicContact CD2-CG1 3.79Å; L934-V939 PolarHBondContact O-N 2.96Å |
| 935 | N | 93.8 | Very high | 93.4 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.2 | -48.1 | 176.1 | -177.3 | 76.7 | 0 | 0 | 0 | 112.3 | A931 C937 H938 | A931-N935 WeakPolarHBondContact O-CB 3.32Å; A931-N935 PolarHBondContact O-N 2.99Å; N935-C937 PolarHBondContact O-N 3.14Å; N935-H938 PolarHBondContact O-N 3.07Å |
| 936 | N | 94.2 | Very high | 93.3 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 68% | 0.679 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.4 | -25.7 | 177.3 | -69.5 | -9 | 0 | 0 | 0 | 113 | G932 R933 | G932-N936 VanDerWaalsContact O-CB 3.31Å; G932-N936 WeakPolarHBondContact O-CB 3.29Å; G932-N936 PolarHBondContact O-N 2.97Å; G932-N936 PolarHBondContact O-ND2 3.47Å; G932-N936 PolarHBondContact O-OD1 2.83Å; R933-N936 PolarHBondContact O-N 3.45Å |
| 937 | C | 93.5 | Very high | 93.1 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 1.2 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | K900 E901 R933 L934 N935 V939 | K900-C937 WeakPolarHBondContact CE-O 3.26Å; K900-C937 HydrophobicContact CG-CB 4.06Å; K900-C937 WeakPolarHBondContact CG-O 3.41Å; K900-C937 PolarHBondContact NZ-O 3.41Å; E901-C937 WeakPolarHBondContact CG-SG 3.35Å; R933-C937 WeakPolarHBondContact O-CB 3.48Å; R933-C937 PolarHBondContact O-N 2.91Å; R933-C937 PolarHBondContact O-SG 3.38Å; L934-C937 CarbonylContact O-C 3.52Å; L934-C937 PolarHBondContact O-N 3.44Å; L934-C937 VanDerWaalsContact O-N 3.15Å; N935-C937 PolarHBondContact O-N 3.14Å; C937-V939 VanDerWaalsContact C-N 3.27Å; C937-V939 HydrophobicContact CB-CG2 3.91Å; C937-V939 PolarHBondContact O-N 3.48Å |
| 938 | H | 95.8 | Very high | 93 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.8 | -170.3 | -60 | -116.3 | 0 | 0 | 0 | 113 | Q909 D911 V912 L934 N935 | Q909-H938 PolarHBondContact NE2-NE2 3.32Å; Q909-H938 VanDerWaalsContact NE2-NE2 3.11Å; D911-H938 IonicContact OD1-CG 3.78Å; D911-H938 IonicContact OD1-ND1 3.91Å; D911-H938 PolarHBondContact OD1-ND1 3.15Å; V912-H938 PolarHBondContact N-O 3.1Å; L934-H938 PolarHBondContact O-N 2.91Å; L934-H938 VanDerWaalsContact O-N 3.15Å; N935-H938 PolarHBondContact O-N 3.07Å |
| 939 | V | 96.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.5 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | L896 K900 V912 L934 C937 | L896-V939 HydrophobicContact CD2-CG1 3.79Å; L896-V939 HydrophobicContact CG-CG1 4.26Å; K900-V939 HydrophobicContact CB-CG2 4.03Å; K900-V939 HydrophobicContact CG-CG2 3.78Å; V912-V939 WeakPolarHBondContact O-CA 3.49Å; L934-V939 CarbonylContact C-O 3.54Å; L934-V939 HydrophobicContact CD2-CB 3.98Å; L934-V939 HydrophobicContact CD2-CG1 3.79Å; L934-V939 PolarHBondContact O-N 2.96Å; C937-V939 VanDerWaalsContact C-N 3.27Å; C937-V939 HydrophobicContact CB-CG2 3.91Å; C937-V939 PolarHBondContact O-N 3.48Å |
| 940 | N | 93.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.7 | 174.1 | -173 | 19.3 | 0 | 0 | 0 | 110.8 | V912 S913 L914 | V912-N940 PolarHBondContact O-N 3.29Å; S913-N940 CarbonylContact C-O 3.51Å; S913-N940 WeakPolarHBondContact CA-O 3.45Å; L914-N940 PolarHBondContact N-O 3.09Å |
| 941 | V | 92 | Very high | 92 | Very high | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 94.9 | 163.3 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | L914 L916 L927 A943 | L914-V941 CarbonylContact O-C 3.49Å; L914-V941 WeakPolarHBondContact O-CA 3.49Å; L916-V941 HydrophobicContact CD1-CG1 3.77Å; L927-V941 HydrophobicContact CD1-CG2 4.16Å; L927-V941 HydrophobicContact CD2-CG2 3.61Å; V941-A943 PolarHBondContact O-N 3.19Å |
| 942 | A | 87.9 | Confident | 91.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -29.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | N700 L914 I915 | N700-A942 PolarHBondContact ND2-O 2.92Å; L914-A942 PolarHBondContact O-N 3.14Å; I915-A942 HydrophobicContact CG1-CB 4.31Å |
| 943 | A | 88.4 | Confident | 90 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 152.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I915 L916 V941 Y970 | I915-A943 HydrophobicContact CG2-CB 4.47Å; L916-A943 PolarHBondContact N-O 2.74Å; V941-A943 PolarHBondContact O-N 3.19Å; A943-Y970 HydrophobicContact CB-CD1 4.14Å; A943-Y970 HydrophobicContact CB-CD2 3.41Å; A943-Y970 VanDerWaalsContact CB-CD2 3.41Å; A943-Y970 HydrophobicContact CB-CE1 4.08Å; A943-Y970 HydrophobicContact CB-CE2 3.35Å; A943-Y970 HydrophobicContact CB-CG 3.81Å |
| 944 | V | 92.6 | Very high | 88.4 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.4 | 160.6 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | L916 E919 S946 R947 S948 | L916-V944 HydrophobicContact CB-CG2 4.35Å; L916-V944 HydrophobicContact CD1-CG2 4.38Å; L916-V944 CarbonylContact O-C 3.07Å; L916-V944 VanDerWaalsContact O-CA 3.25Å; L916-V944 WeakPolarHBondContact O-CA 3.48Å; E919-V944 HydrophobicContact CB-CG1 4.15Å; E919-V944 HydrophobicContact CB-CG2 4.39Å; E919-V944 HydrophobicContact CG-CG1 4.05Å; E919-V944 WeakPolarHBondContact OE2-CG2 3.11Å; V944-S946 VanDerWaalsContact C-N 3.32Å; V944-S946 PolarHBondContact O-N 3.31Å; V944-R947 CarbonylContact O-C 3.58Å; V944-R947 PolarHBondContact O-N 2.84Å; V944-S948 PolarHBondContact O-N 2.84Å; V944-S948 PolarHBondContact O-OG 3.39Å |
| 945 | I | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -63.7 | -37 | -166 | -51.1 | 174 | 0 | 0 | 0 | 111.3 | V257 P259 I915 L916 A917 R947 S948 | V257-I945 HydrophobicContact CB-CD1 3.81Å; V257-I945 HydrophobicContact CG1-CD1 3.46Å; V257-I945 VanDerWaalsContact CG1-CD1 3.46Å; V257-I945 WeakPolarHBondContact O-CG2 3.41Å; P259-I945 HydrophobicContact CB-CB 4.46Å; P259-I945 HydrophobicContact CB-CG2 4.24Å; P259-I945 HydrophobicContact CG-CG2 4.11Å; I915-I945 HydrophobicContact CG2-CD1 3.75Å; I915-I945 HydrophobicContact CG2-CG1 3.63Å; L916-I945 WeakPolarHBondContact O-CG1 3.37Å; L916-I945 PolarHBondContact O-N 3.22Å; A917-I945 HydrophobicContact CB-CD1 4.4Å; I945-R947 PolarHBondContact O-N 3.36Å; I945-R947 VanDerWaalsContact O-N 3.14Å; I945-S948 PolarHBondContact O-N 2.79Å |
| 946 | S | 89.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 51 Ų | 51 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -65.2 | -11.9 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | A917 V944 | A917-S946 VanDerWaalsContact O-CB 3.22Å; A917-S946 WeakPolarHBondContact O-CB 3.29Å; A917-S946 PolarHBondContact O-N 3.29Å; A917-S946 PolarHBondContact O-OG 3.16Å; A917-S946 VanDerWaalsContact O-OG 3.11Å; V944-S946 VanDerWaalsContact C-N 3.32Å; V944-S946 PolarHBondContact O-N 3.31Å |
| 947 | R | 89.9 | Confident | 82.3 | Confident | 164 Ų | 164 | 45.6 Ų | 45.6 | 62% | 0.619 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -109.2 | -4.7 | 167.8 | -67.9 | -170.1 | -179.3 | 138.7 | 12.4 | 113.3 | E919 V944 I945 | E919-R947 VanDerWaalsContact CD-NH2 3.34Å; E919-R947 IonicContact OE1-CZ 2.65Å; E919-R947 IonicContact OE1-NH1 2.83Å; E919-R947 PolarHBondContact OE1-NH1 3.18Å; E919-R947 IonicContact OE1-NH2 3.18Å; E919-R947 PolarHBondContact OE1-NH2 3.22Å; E919-R947 IonicContact OE2-CZ 3.58Å; E919-R947 IonicContact OE2-NH1 2.71Å; E919-R947 PolarHBondContact OE2-NH1 3.08Å; E919-R947 IonicContact OE2-NH2 2.63Å; V944-R947 CarbonylContact O-C 3.58Å; V944-R947 PolarHBondContact O-N 2.84Å; I945-R947 PolarHBondContact O-N 3.36Å; I945-R947 VanDerWaalsContact O-N 3.14Å |
| 948 | S | 90.9 | Very high | 80.1 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | trans | -91.1 | 148.2 | -179 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | V944 I945 G969 | V944-S948 PolarHBondContact O-N 2.84Å; V944-S948 PolarHBondContact O-OG 3.39Å; I945-S948 PolarHBondContact O-N 2.79Å; S948-G969 CarbonylContact C-O 3.56Å; S948-G969 VanDerWaalsContact C-O 3.24Å; S948-G969 WeakPolarHBondContact CB-O 3.06Å; S948-G969 PolarHBondContact O-N 2.98Å; S948-G969 VanDerWaalsContact O-N 3.13Å | ||
| 949 | S | 89.9 | Confident | 77.9 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.4 | 169.5 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | Y967 G969 | S949-Y967 CarbonylContact C-O 3.56Å; S949-Y967 VanDerWaalsContact CA-O 3.22Å; S949-Y967 WeakPolarHBondContact CA-O 3.46Å; S949-Y967 WeakPolarHBondContact CB-O 3.35Å; S949-G969 CarbonylContact C-O 3.44Å; S949-G969 PolarHBondContact N-O 2.71Å |
| 950 | I | 88.8 | Confident | 75.5 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.6 | 169.7 | -64.5 | 155.7 | 0 | 0 | 0 | 106.5 | Y256 F258 V290 I952 Y967 | Y256-I950 HydrophobicContact CD1-CD1 3.75Å; Y256-I950 HydrophobicContact CD1-CG1 4.39Å; Y256-I950 HydrophobicContact CE1-CG2 4.39Å; F258-I950 HydrophobicContact CE1-CD1 3.79Å; F258-I950 HydrophobicContact CZ-CD1 4.24Å; V290-I950 HydrophobicContact CG2-CB 4.34Å; V290-I950 HydrophobicContact CG2-CD1 4.03Å; V290-I950 HydrophobicContact CG2-CG2 4.29Å; I950-I952 HydrophobicContact CG2-CG1 4.42Å; I950-Y967 PolarHBondContact N-O 2.96Å; I950-Y967 PolarHBondContact O-N 3.37Å |
| 951 | Q | 85 | Confident | 73.1 | Confident | 36 Ų | 36 | 54 Ų | 54 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.7 | 173.5 | -82 | 178.9 | 0.1 | 0 | 0 | 110.5 | A704 N966 | A704-Q951 WeakPolarHBondContact CB-O 3.35Å; Q951-N966 WeakPolarHBondContact CG-OD1 3.25Å; Q951-N966 PolarHBondContact NE2-OD1 3.04Å |
| 952 | I | 76.4 | Confident | 71.1 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 105.4 | 167.5 | -58.6 | -171.3 | 0 | 0 | 0 | 108.2 | L248 V290 Y293 I950 L965 Y967 | L248-I952 HydrophobicContact CD1-CD1 3.99Å; V290-I952 HydrophobicContact CG2-CD1 4.47Å; Y293-I952 HydrophobicContact CD1-CD1 3.96Å; Y293-I952 HydrophobicContact CD1-CG2 3.76Å; Y293-I952 HydrophobicContact CD2-CD1 3.63Å; Y293-I952 HydrophobicContact CE1-CD1 4.42Å; Y293-I952 HydrophobicContact CE1-CG2 3.8Å; Y293-I952 HydrophobicContact CE2-CD1 4.12Å; Y293-I952 HydrophobicContact CG-CD1 3.53Å; Y293-I952 HydrophobicContact CG-CG2 4.41Å; I950-I952 HydrophobicContact CG2-CG1 4.42Å; I952-L965 PolarHBondContact N-O 3.32Å; I952-L965 PolarHBondContact O-N 3.31Å; I952-Y967 HydrophobicContact CB-CE2 4.38Å; I952-Y967 HydrophobicContact CD1-CD2 3.85Å; I952-Y967 HydrophobicContact CD1-CE2 3.85Å; I952-Y967 HydrophobicContact CG1-CD2 4.04Å; I952-Y967 HydrophobicContact CG1-CE2 4.2Å |
| 953 | L | 68.9 | Low | 69.6 | Low | 82 Ų | 82 | 61.2 Ų | 61.2 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | trans | -71.1 | 141.5 | 169.5 | -65.9 | 174.8 | 0 | 0 | 0 | 109.8 | I703 P964 | I703-L953 HydrophobicContact CG2-CD1 3.81Å; L953-P964 HydrophobicContact CD2-CB 4.21Å | ||
| 954 | N | 62.8 | Low | 68.4 | Low | 59 Ų | 59 | 63.8 Ų | 63.8 | 32% | 0.316 | 40% | 0.397 | S | S | . | . | trans | -135.5 | 112.1 | 171.3 | 175.3 | 4.2 | 0 | 0 | 0 | 108 | K956 A957 S958 | N954-K956 PolarHBondContact O-N 2.93Å; N954-K956 VanDerWaalsContact O-N 3.09Å; N954-K956 PolarHBondContact OD1-N 2.9Å; N954-K956 VanDerWaalsContact OD1-N 3.08Å; N954-A957 HydrophobicContact CB-CB 3.9Å; N954-A957 WeakPolarHBondContact O-CB 3.38Å; N954-A957 PolarHBondContact O-N 2.62Å; N954-S958 PolarHBondContact O-N 3.39Å | ||
| 955 | E | 56.5 | Low | 67.4 | Low | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.3 | -179.9 | -76.9 | 170 | 171.5 | 0 | 0 | 113 | L708 | L708-E955 HydrophobicContact CD1-CB 4.35Å; L708-E955 HydrophobicContact CD1-CG 4.05Å |
| 956 | K | 49.4 | Very low | 66.9 | Low | 136 Ų | 136 | 69.9 Ų | 69.9 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -29.8 | 177.9 | -65.2 | -178.4 | 177.8 | 177.8 | 0 | 113.2 | N954 A959 | N954-K956 PolarHBondContact O-N 2.93Å; N954-K956 VanDerWaalsContact O-N 3.09Å; N954-K956 PolarHBondContact OD1-N 2.9Å; N954-K956 VanDerWaalsContact OD1-N 3.08Å; K956-A959 PolarHBondContact O-N 2.88Å |
| 957 | A | 48 | Very low | 66.8 | Low | 13 Ų | 13 | 69.5 Ų | 69.5 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -68.1 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N954 A959 G960 G961 D962 | N954-A957 HydrophobicContact CB-CB 3.9Å; N954-A957 WeakPolarHBondContact O-CB 3.38Å; N954-A957 PolarHBondContact O-N 2.62Å; A957-A959 PolarHBondContact O-N 3.23Å; A957-G960 PolarHBondContact O-N 2.84Å; A957-G961 PolarHBondContact O-N 3.09Å; A957-D962 CarbonylContact C-O 3.55Å; A957-D962 HydrophobicContact CB-CB 4.09Å |
| 958 | S | 46.3 | Very low | 66.7 | Low | 113 Ų | 113 | 64.6 Ų | 64.6 | 79% | 0.79 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -61.6 | -11.3 | 176.2 | -168.6 | 0 | 0 | 0 | 0 | 114.7 | N954 | N954-S958 PolarHBondContact O-N 3.39Š|
| 959 | A | 49 | Very low | 66.8 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 77% | 0.769 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -103.4 | -12.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K956 A957 | K956-A959 PolarHBondContact O-N 2.88Å; A957-A959 PolarHBondContact O-N 3.23Å |
| 960 | G | 47.6 | Very low | 67 | Low | 65 Ų | 65 | 62.8 Ų | 62.8 | 67% | 0.67 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A957 | A957-G960 PolarHBondContact O-N 2.84Š|
| 961 | G | 41.9 | Very low | 67.2 | Low | 75 Ų | 75 | 63.3 Ų | 63.3 | 77% | 0.773 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -5.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | A957 | A957-G961 PolarHBondContact O-N 3.09Š|
| 962 | D | 51.3 | Low | 67.7 | Low | 124 Ų | 124 | 61.8 Ų | 61.8 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | trans | -72.5 | 124.3 | 166.7 | -73.7 | -39.4 | 0 | 0 | 0 | 109.7 | A957 | A957-D962 CarbonylContact C-O 3.55Å; A957-D962 HydrophobicContact CB-CB 4.09Å | ||
| 963 | G | 55.2 | Low | 68.5 | Low | 46 Ų | 46 | 63.9 Ų | 63.9 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | trans | -70.9 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L965 | G963-L965 PolarHBondContact O-N 3.16Š| ||
| 964 | P | 63.1 | Low | 69.4 | Low | 63 Ų | 63 | 60.3 Ų | 60.3 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | trans | -58.6 | 135.4 | 173.6 | 26.8 | -34.9 | 0 | 0 | 0 | 110.6 | L953 N966 | L953-P964 HydrophobicContact CD2-CB 4.21Å; P964-N966 PolarHBondContact O-N 2.86Å; P964-N966 PolarHBondContact O-ND2 3.2Å | ||
| 965 | L | 72 | Confident | 69.9 | Low | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 107.4 | -177.7 | -66.2 | 170.5 | 0 | 0 | 0 | 109.1 | Y293 I952 G963 Y967 | Y293-L965 WeakPolarHBondContact OH-CD1 3.43Å; I952-L965 PolarHBondContact N-O 3.32Å; I952-L965 PolarHBondContact O-N 3.31Å; G963-L965 PolarHBondContact O-N 3.16Å; L965-Y967 HydrophobicContact CB-CE2 3.78Å |
| 966 | N | 82.9 | Confident | 70.6 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.6 | 178.3 | -59.3 | -77.5 | 0 | 0 | 0 | 109.8 | Q951 P964 | Q951-N966 WeakPolarHBondContact CG-OD1 3.25Å; Q951-N966 PolarHBondContact NE2-OD1 3.04Å; P964-N966 PolarHBondContact O-N 2.86Å; P964-N966 PolarHBondContact O-ND2 3.2Å |
| 967 | Y | 86.8 | Confident | 71.7 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.2 | 178.8 | -63.1 | -54.8 | 0 | 0 | 0 | 111.3 | S289 V290 Y293 S949 I950 I952 L965 G969 | S289-Y967 WeakPolarHBondContact O-CE2 3.25Å; S289-Y967 WeakPolarHBondContact OG-CB 3.4Å; S289-Y967 VanDerWaalsContact OG-CD1 3.22Å; S289-Y967 WeakPolarHBondContact OG-CD1 3.4Å; S289-Y967 VanDerWaalsContact OG-CG 3.31Å; V290-Y967 HydrophobicContact CG2-CD2 4.06Å; V290-Y967 HydrophobicContact CG2-CG 4.22Å; Y293-Y967 HydrophobicContact CD2-CE2 4.46Å; Y293-Y967 AromaticContact CE2-CE2 3.81Å; Y293-Y967 HydrophobicContact CE2-CE2 3.81Å; Y293-Y967 PolarHBondContact OH-OH 3.44Å; S949-Y967 CarbonylContact C-O 3.56Å; S949-Y967 VanDerWaalsContact CA-O 3.22Å; S949-Y967 WeakPolarHBondContact CA-O 3.46Å; S949-Y967 WeakPolarHBondContact CB-O 3.35Å; I950-Y967 PolarHBondContact N-O 2.96Å; I950-Y967 PolarHBondContact O-N 3.37Å; I952-Y967 HydrophobicContact CB-CE2 4.38Å; I952-Y967 HydrophobicContact CD1-CD2 3.85Å; I952-Y967 HydrophobicContact CD1-CE2 3.85Å; I952-Y967 HydrophobicContact CG1-CD2 4.04Å; I952-Y967 HydrophobicContact CG1-CE2 4.2Å; L965-Y967 HydrophobicContact CB-CE2 3.78Å; Y967-G969 PolarHBondContact O-N 3.15Å |
| 968 | P | 88.4 | Confident | 73 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 131.7 | -179.4 | -24.3 | 33.9 | 0 | 0 | 0 | 112.2 | F258 P259 C286 | F258-P968 WeakPolarHBondContact CD1-O 3.3Å; P259-P968 HydrophobicContact CG-CB 4.11Å; C286-P968 HydrophobicContact CB-CB 4.47Å; C286-P968 HydrophobicContact CB-CG 4.44Å |
| 969 | G | 92.5 | Very high | 74.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | 148.8 | 174 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V257 S948 S949 Y967 | V257-G969 WeakPolarHBondContact O-CA 3.28Å; S948-G969 CarbonylContact C-O 3.56Å; S948-G969 VanDerWaalsContact C-O 3.24Å; S948-G969 WeakPolarHBondContact CB-O 3.06Å; S948-G969 PolarHBondContact O-N 2.98Å; S948-G969 VanDerWaalsContact O-N 3.13Å; S949-G969 CarbonylContact C-O 3.44Å; S949-G969 PolarHBondContact N-O 2.71Å; Y967-G969 PolarHBondContact O-N 3.15Å | ||
| 970 | Y | 94.2 | Very high | 76.2 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 9% | 0.09 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.2 | 177.1 | -171.9 | -104.3 | 0 | 0 | 0 | 110.9 | Y256 V257 L702 I915 A943 I972 | Y256-Y970 CarbonylContact C-O 3.58Å; Y256-Y970 WeakPolarHBondContact CA-O 3.39Å; V257-Y970 PolarHBondContact N-O 2.85Å; V257-Y970 PolarHBondContact O-N 2.83Å; L702-Y970 HydrophobicContact CD1-CD2 4.08Å; L702-Y970 HydrophobicContact CD1-CE2 3.38Å; I915-Y970 HydrophobicContact CD1-CD1 3.9Å; I915-Y970 HydrophobicContact CD1-CE1 3.68Å; I915-Y970 HydrophobicContact CG1-CD1 4.42Å; I915-Y970 HydrophobicContact CG1-CE1 4.19Å; I915-Y970 HydrophobicContact CG2-CD1 4.32Å; A943-Y970 HydrophobicContact CB-CD1 4.14Å; A943-Y970 HydrophobicContact CB-CD2 3.41Å; A943-Y970 VanDerWaalsContact CB-CD2 3.41Å; A943-Y970 HydrophobicContact CB-CE1 4.08Å; A943-Y970 HydrophobicContact CB-CE2 3.35Å; A943-Y970 HydrophobicContact CB-CG 3.81Å; Y970-I972 HydrophobicContact CD1-CG1 4.05Å; Y970-I972 HydrophobicContact CE1-CG1 4.07Å |
| 971 | R | 94 | Very high | 78.1 | Confident | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.06 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.9 | 179.2 | 175.1 | -179.8 | 168.6 | 145.1 | -3.8 | 109.7 | C254 Y256 L702 D706 D973 | C254-R971 HydrophobicContact CB-CG 4.48Å; Y256-R971 HydrophobicContact CD1-CB 3.98Å; Y256-R971 HydrophobicContact CD1-CG 4.21Å; Y256-R971 HydrophobicContact CE1-CB 4.04Å; Y256-R971 HydrophobicContact CE1-CG 3.91Å; Y256-R971 PolarHBondContact OH-NH1 2.96Å; Y256-R971 VanDerWaalsContact OH-NH1 3.15Å; L702-R971 WeakPolarHBondContact CD1-O 3.5Å; D706-R971 IonicContact OD2-CZ 3.39Å; D706-R971 IonicContact OD2-NH1 2.79Å; D706-R971 PolarHBondContact OD2-NH1 3.09Å; D706-R971 IonicContact OD2-NH2 3.8Å; D706-R971 PolarHBondContact OD2-NH2 3.33Å; R971-D973 IonicContact CZ-OD1 3.19Å; R971-D973 VanDerWaalsContact CZ-OD1 3.29Å; R971-D973 IonicContact CZ-OD2 4Å; R971-D973 VanDerWaalsContact NE-CG 3.29Å; R971-D973 IonicContact NE-OD1 2.77Å; R971-D973 PolarHBondContact NE-OD1 3.3Å; R971-D973 IonicContact NE-OD2 2.79Å; R971-D973 PolarHBondContact NE-OD2 2.65Å; R971-D973 IonicContact NH2-OD1 3.01Å; R971-D973 PolarHBondContact NH2-OD1 3.41Å; R971-D973 IonicContact NH2-OD2 3.81Å |
| 972 | I | 94.6 | Very high | 80.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.3 | 171.2 | -41.4 | 180 | 0 | 0 | 0 | 108.8 | C254 I255 V257 V856 Y880 I915 Y970 L974 | C254-I972 CarbonylContact C-O 3.38Å; C254-I972 WeakPolarHBondContact CA-O 3.37Å; C254-I972 VanDerWaalsContact CB-O 3.28Å; C254-I972 WeakPolarHBondContact CB-O 3.39Å; I255-I972 HydrophobicContact CG2-CB 3.73Å; I255-I972 HydrophobicContact CG2-CD1 3.81Å; I255-I972 HydrophobicContact CG2-CG1 3.94Å; I255-I972 PolarHBondContact N-O 3.07Å; I255-I972 PolarHBondContact O-N 2.9Å; V257-I972 HydrophobicContact CG2-CD1 4.48Å; V856-I972 HydrophobicContact CG1-CD1 4.44Å; Y880-I972 HydrophobicContact CD1-CD1 4.35Å; Y880-I972 HydrophobicContact CD1-CG2 3.89Å; Y880-I972 HydrophobicContact CD2-CG2 3.61Å; Y880-I972 HydrophobicContact CE1-CG2 3.75Å; Y880-I972 HydrophobicContact CE2-CG2 3.43Å; Y880-I972 VanDerWaalsContact CE2-CG2 3.43Å; Y880-I972 HydrophobicContact CG-CD1 4.2Å; Y880-I972 HydrophobicContact CG-CG2 3.85Å; I915-I972 HydrophobicContact CD1-CD1 3.27Å; I915-I972 HydrophobicContact CD1-CG1 3.71Å; Y970-I972 HydrophobicContact CD1-CG1 4.05Å; Y970-I972 HydrophobicContact CE1-CG1 4.07Å; I972-L974 HydrophobicContact CG2-CD2 3.87Å |
| 973 | D | 92.5 | Very high | 83 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135 | 170.1 | -69.8 | -75.5 | 0 | 0 | 0 | 111.2 | R971 | R971-D973 IonicContact CZ-OD1 3.19Å; R971-D973 VanDerWaalsContact CZ-OD1 3.29Å; R971-D973 IonicContact CZ-OD2 4Å; R971-D973 VanDerWaalsContact NE-CG 3.29Å; R971-D973 IonicContact NE-OD1 2.77Å; R971-D973 PolarHBondContact NE-OD1 3.3Å; R971-D973 IonicContact NE-OD2 2.79Å; R971-D973 PolarHBondContact NE-OD2 2.65Å; R971-D973 IonicContact NH2-OD1 3.01Å; R971-D973 PolarHBondContact NH2-OD1 3.41Å; R971-D973 IonicContact NH2-OD2 3.81Å |
| 974 | L | 88.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -112 | -15.3 | -162.1 | -57.7 | 164.3 | 0 | 0 | 0 | 113.9 | P253 L475 F477 V856 R879 Y880 I972 | P253-L974 HydrophobicContact CB-CD1 4.38Å; P253-L974 WeakPolarHBondContact O-CB 3.4Å; P253-L974 PolarHBondContact O-N 2.82Å; L475-L974 HydrophobicContact CD1-CB 3.98Å; L475-L974 HydrophobicContact CD1-CD1 4.12Å; L475-L974 HydrophobicContact CD2-CB 4.31Å; F477-L974 HydrophobicContact CE1-CD1 3.42Å; F477-L974 VanDerWaalsContact CE1-CD1 3.42Å; F477-L974 HydrophobicContact CZ-CD1 3.56Å; V856-L974 HydrophobicContact CG2-CD2 3.92Å; R879-L974 PolarHBondContact NH1-O 3.14Å; Y880-L974 HydrophobicContact CD2-CD2 4.4Å; Y880-L974 HydrophobicContact CE2-CD2 4.33Å; I972-L974 HydrophobicContact CG2-CD2 3.87Å | ||
| 975 | C | 74 | Confident | 87.3 | Confident | 85 Ų | 85 | 40.2 Ų | 40.2 | 57% | 0.574 | 22% | 0.22 | S | C | * | . | trans | -139.4 | 0 | -175.1 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | K252 | K252-C975 WeakPolarHBondContact CD-O 2.92Å; K252-C975 WeakPolarHBondContact CE-O 3.13Å; K252-C975 PolarHBondContact NZ-O 2.73Å; K252-C975 PolarHBondContact NZ-OXT 3.34Å |
Retrieved 975 of 975 residues in 245.6 ms
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