| 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 | 64.2 | Low | 56.1 | Low | 103 Ų | 103 | 11.9 Ų | 11.9 | 51% | 0.507 | 6% | 0.061 | S | C | . | . | 0 | 147.1 | 0 | -167.5 | 160.1 | 166.6 | 0 | 0 | 106.9 | I3 N67 D275 V276 Q277 | M1-I3 HydrophobicContact CE-CD1 4.14Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.44Å; M1-N67 VanDerWaalsContact O-CB 3.3Å; M1-N67 WeakPolarHBondContact O-CB 3.36Å; M1-N67 PolarHBondContact O-ND2 2.73Å; M1-D275 HydrophobicContact CE-CB 3.75Å; M1-V276 WeakPolarHBondContact CA-O 3.48Å; M1-Q277 HydrophobicContact CG-CG 4.3Å | |||
| 2 | L | 69.8 | Low | 53.8 | Low | 7 Ų | 7 | 11.3 Ų | 11.3 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.3 | 175.6 | 179.8 | 73.7 | 0 | 0 | 0 | 106.3 | L4 N67 L69 I152 V157 I201 V276 F278 | L2-L4 HydrophobicContact CD2-CD2 3.98Å; L2-L4 HydrophobicContact CG-CD2 4.05Å; L2-N67 HydrophobicContact CD1-CB 4.45Å; L2-N67 WeakPolarHBondContact CD1-O 3.39Å; L2-L69 HydrophobicContact CD1-CD1 4.16Å; L2-L69 HydrophobicContact CD1-CG 4.34Å; L2-I152 HydrophobicContact CD1-CD1 3.64Å; L2-I152 HydrophobicContact CD1-CG2 4.1Å; L2-V157 HydrophobicContact CD2-CG2 4.48Å; L2-I201 HydrophobicContact CD2-CD1 4.09Å; L2-V276 PolarHBondContact N-O 3.47Å; L2-V276 PolarHBondContact O-N 3.14Å; L2-F278 HydrophobicContact CB-CD2 4.34Å; L2-F278 HydrophobicContact CB-CE2 4.05Å; L2-F278 HydrophobicContact CD2-CE2 3.89Å |
| 3 | I | 74.6 | Confident | 51.4 | Low | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117 | -177 | -71.1 | 159.4 | 0 | 0 | 0 | 107.5 | M1 V5 I61 E65 N67 V68 L69 D275 | M1-I3 HydrophobicContact CE-CD1 4.14Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.44Å; I3-V5 HydrophobicContact CG2-CG2 4.4Å; I3-I61 HydrophobicContact CG2-CG2 4.26Å; I3-E65 HydrophobicContact CD1-CB 3.57Å; I3-E65 VanDerWaalsContact CD1-CD 3.43Å; I3-E65 HydrophobicContact CD1-CG 3.63Å; I3-E65 VanDerWaalsContact CD1-OE2 3.26Å; I3-E65 WeakPolarHBondContact CD1-OE2 3.13Å; I3-N67 PolarHBondContact N-O 3.05Å; I3-V68 HydrophobicContact CB-CG2 4.42Å; I3-V68 HydrophobicContact CG2-CG2 4.46Å; I3-V68 CarbonylContact O-C 3.55Å; I3-V68 WeakPolarHBondContact O-CA 3.26Å; I3-L69 PolarHBondContact O-N 2.94Å; I3-D275 HydrophobicContact CG1-CB 4.14Å |
| 4 | L | 72.6 | Confident | 49.8 | Very low | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.9 | 174 | -54.2 | -167.4 | 0 | 0 | 0 | 108.1 | L2 L69 L71 I201 I223 V225 R273 L274 | L2-L4 HydrophobicContact CD2-CD2 3.98Å; L2-L4 HydrophobicContact CG-CD2 4.05Å; L4-L69 HydrophobicContact CD2-CB 4.03Å; L4-L69 HydrophobicContact CD2-CD1 3.91Å; L4-L69 HydrophobicContact CD2-CG 4.48Å; L4-L71 HydrophobicContact CD1-CD1 4.34Å; L4-L71 HydrophobicContact CD2-CD1 4.03Å; L4-I201 HydrophobicContact CD1-CD1 4.11Å; L4-I201 HydrophobicContact CD1-CG2 4.37Å; L4-I201 HydrophobicContact CD2-CD1 3.73Å; L4-I223 HydrophobicContact CD1-CB 4.34Å; L4-I223 HydrophobicContact CD1-CD1 3.68Å; L4-I223 HydrophobicContact CD1-CG2 3.82Å; L4-I223 HydrophobicContact CG-CD1 4.38Å; L4-V225 HydrophobicContact CD1-CG2 4.28Å; L4-R273 WeakPolarHBondContact O-CA 3.36Å; L4-L274 PolarHBondContact N-O 2.72Å; L4-L274 PolarHBondContact O-N 3.06Å |
| 5 | V | 71.1 | Confident | 48.1 | Very low | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.1 | 162.2 | -174.3 | 0 | 0 | 0 | 0 | 106.3 | I3 V58 I61 V68 L69 L70 L71 L271 G272 | I3-V5 HydrophobicContact CG2-CG2 4.4Å; V5-V58 HydrophobicContact CG1-CG2 4.25Å; V5-I61 HydrophobicContact CG1-CD1 4.5Å; V5-I61 HydrophobicContact CG2-CD1 3.93Å; V5-I61 HydrophobicContact CG2-CG2 3.85Å; V5-V68 HydrophobicContact CG2-CG1 3.76Å; V5-L69 PolarHBondContact N-O 3.38Å; V5-L70 HydrophobicContact CB-CD1 3.84Å; V5-L70 HydrophobicContact CG1-CD1 3.53Å; V5-L70 CarbonylContact O-C 3.56Å; V5-L70 WeakPolarHBondContact O-CA 3.26Å; V5-L71 PolarHBondContact O-N 2.82Å; V5-L271 HydrophobicContact CG1-CD1 3.56Å; V5-L271 HydrophobicContact CG1-CD2 3.73Å; V5-L271 HydrophobicContact CG1-CG 3.56Å; V5-G272 CarbonylContact C-O 3.47Å; V5-G272 VanDerWaalsContact CA-O 3.24Å; V5-G272 WeakPolarHBondContact CA-O 3.37Å |
| 6 | A | 57.4 | Low | 46.4 | Very low | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L71 V225 D264 G272 | A6-L71 CarbonylContact C-O 3.55Å; A6-L71 VanDerWaalsContact CA-O 3.3Å; A6-L71 WeakPolarHBondContact CA-O 3.13Å; A6-V225 HydrophobicContact CB-CG1 3.55Å; A6-D264 VanDerWaalsContact O-OD2 3.12Å; A6-G272 PolarHBondContact N-O 3.5Å; A6-G272 PolarHBondContact O-N 2.99Å |
| 7 | T | 57.1 | Low | 45 | Very low | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129 | 160.8 | 40.1 | 0 | 0 | 0 | 0 | 112 | L71 D72 A73 Y100 L271 | T7-L71 PolarHBondContact N-O 3.45Å; T7-D72 WeakPolarHBondContact CB-OD2 3.43Å; T7-D72 PolarHBondContact OG1-OD2 3.37Å; T7-A73 PolarHBondContact O-N 3.47Å; T7-Y100 WeakPolarHBondContact OG1-CE1 3.33Å; T7-Y100 PolarHBondContact OG1-OH 3.46Å; T7-L271 HydrophobicContact CG2-CD1 3.79Å |
| 8 | G | 48 | Very low | 43.8 | Very low | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -94.2 | 171.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D264 | G8-D264 VanDerWaalsContact CA-OD1 3.28Å; G8-D264 WeakPolarHBondContact CA-OD1 3.35Å; G8-D264 PolarHBondContact N-OD1 2.82Å | ||
| 9 | S | 43.2 | Very low | 42.6 | Very low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -79.9 | 173.1 | -176.3 | 142.3 | 0 | 0 | 0 | 0 | 112.2 | G74 D75 H205 H228 N230 A266 | S9-G74 WeakPolarHBondContact CB-O 3.5Å; S9-D75 PolarHBondContact OG-OD2 3.29Å; S9-H205 VanDerWaalsContact CB-CE1 3.47Å; S9-H205 WeakPolarHBondContact CB-CE1 3.34Å; S9-H205 PolarHBondContact OG-CE1 2.86Å; S9-H228 PolarHBondContact OG-N 3.33Å; S9-N230 VanDerWaalsContact CA-OD1 3.23Å; S9-N230 WeakPolarHBondContact CA-OD1 3.1Å; S9-N230 WeakPolarHBondContact CB-OD1 3.38Å; S9-N230 PolarHBondContact N-OD1 3Å; S9-N230 WeakPolarHBondContact O-CB 3.43Å; S9-N230 PolarHBondContact O-ND2 2.84Å; S9-N230 PolarHBondContact O-OD1 3.09Å; S9-N230 VanDerWaalsContact O-OD1 3.09Å; S9-N230 PolarHBondContact OG-ND2 3.12Å; S9-N230 PolarHBondContact OG-OD1 3.33Å; S9-A266 WeakPolarHBondContact O-CA 3.47Å; S9-A266 VanDerWaalsContact O-CB 3.31Å; S9-A266 WeakPolarHBondContact O-CB 3.31Å | ||
| 10 | P | 32.8 | Very low | 41.8 | Very low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -106.5 | 83.9 | -160.1 | 38 | -35.6 | 0 | 0 | 0 | 119.9 | H23 A24 D75 N230 Y267 | P10-H23 HydrophobicContact CB-CB 4.34Å; P10-H23 PolarHBondContact O-ND1 3.25Å; P10-A24 HydrophobicContact CB-CB 3.69Å; P10-A24 HydrophobicContact CG-CB 4.27Å; P10-D75 HydrophobicContact CG-CB 4.44Å; P10-N230 VanDerWaalsContact N-ND2 3.16Å; P10-Y267 VanDerWaalsContact CA-CD1 3.41Å; P10-Y267 VanDerWaalsContact CA-CE1 3.43Å; P10-Y267 HydrophobicContact CB-CD1 3.47Å; P10-Y267 VanDerWaalsContact CB-CD1 3.47Å; P10-Y267 HydrophobicContact CB-CE1 3.59Å; P10-Y267 VanDerWaalsContact O-CE1 3.24Å; P10-Y267 WeakPolarHBondContact O-CE1 3.18Å |
| 11 | W | 26.2 | Very low | 41.1 | Very low | 9 Ų | 9 | 37.4 Ų | 37.4 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | trans | -157 | 174.8 | 169.7 | -69.3 | 87.6 | 0 | 0 | 0 | 114.5 | N230 Y265 A266 Y267 L382 R383 D384 | W11-N230 HydrophobicContact CB-CB 4.09Å; W11-N230 PolarHBondContact N-ND2 2.84Å; W11-N230 VanDerWaalsContact O-CB 3.3Å; W11-N230 WeakPolarHBondContact O-CB 3.47Å; W11-Y265 WeakPolarHBondContact O-CE2 3.43Å; W11-A266 WeakPolarHBondContact O-CB 3.45Å; W11-Y267 WeakPolarHBondContact CA-OH 3.49Å; W11-L382 WeakPolarHBondContact CH2-O 3.42Å; W11-R383 HydrophobicContact CH2-CB 4.35Å; W11-R383 VanDerWaalsContact CZ2-CZ 3.47Å; W11-D384 WeakPolarHBondContact CA-OD2 3.43Å; W11-D384 WeakPolarHBondContact CB-OD2 3.34Å; W11-D384 HydrophobicContact CE3-CB 4.28Å | ||
| 12 | V | 28.3 | Very low | 39.5 | Very low | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | trans | 115.4 | -175.7 | 161.2 | 167.5 | 0 | 0 | 0 | 0 | 119.3 | T229 N230 E245 Y265 D384 | V12-T229 WeakPolarHBondContact CG2-O 3.47Å; V12-N230 WeakPolarHBondContact CB-O 3.38Å; V12-E245 WeakPolarHBondContact CG1-OE1 3.02Å; V12-Y265 VanDerWaalsContact C-CE2 3.48Å; V12-Y265 HydrophobicContact CB-CD2 3.9Å; V12-Y265 HydrophobicContact CB-CE2 3.53Å; V12-Y265 HydrophobicContact CG1-CD2 3.99Å; V12-Y265 HydrophobicContact CG1-CE2 3.86Å; V12-Y265 PolarHBondContact O-OH 2.96Å; V12-D384 PolarHBondContact N-OD2 2.97Å | ||
| 13 | E | 23 | Very low | 37.7 | Very low | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | trans | -113.6 | 113.2 | -130.7 | 173.8 | 152.4 | -151.7 | 0 | 0 | 120.6 | I243 L335 R434 | E13-I243 PolarHBondContact O-N 3.42Å; E13-L335 HydrophobicContact CB-CD1 3.69Å; E13-L335 HydrophobicContact CB-CD2 3.87Å; E13-L335 HydrophobicContact CB-CG 4.22Å; E13-L335 HydrophobicContact CG-CD1 3.36Å; E13-L335 HydrophobicContact CG-CD2 3.83Å; E13-L335 HydrophobicContact CG-CG 4.14Å; E13-L335 WeakPolarHBondContact OE2-CD2 3.38Å; E13-R434 IonicContact OE2-CZ 3.25Å; E13-R434 IonicContact OE2-NE 3.59Å; E13-R434 IonicContact OE2-NH2 2.78Å; E13-R434 PolarHBondContact OE2-NH2 3.09Å | ||
| 14 | W | 29.5 | Very low | 35.8 | Very low | 44 Ų | 44 | 32.4 Ų | 32.4 | 17% | 0.167 | 14% | 0.139 | C | C | . | . | 74 | 150.4 | 122.6 | -174.9 | 98.2 | 0 | 0 | 0 | 124 | E21 I243 L335 A559 Y560 | W14-E21 PolarHBondContact N-OE1 2.85Å; W14-E21 VanDerWaalsContact N-OE1 3.15Å; W14-E21 PolarHBondContact N-OE2 3.42Å; W14-I243 HydrophobicContact CE3-CD1 3.49Å; W14-I243 VanDerWaalsContact CE3-CD1 3.49Å; W14-I243 HydrophobicContact CE3-CG1 4.11Å; W14-I243 HydrophobicContact CZ3-CD1 3.72Å; W14-L335 HydrophobicContact CB-CD1 3.76Å; W14-L335 HydrophobicContact CG-CD1 4.43Å; W14-A559 HydrophobicContact CH2-CB 4.22Å; W14-Y560 AromaticContact CD1-CG 3.78Å; W14-Y560 AromaticContact CE2-CD2 3.7Å; W14-Y560 AromaticContact CE2-CG 3.8Å; W14-Y560 HydrophobicContact CZ2-CD2 4.19Å; W14-Y560 AromaticContact NE1-CD1 3.83Å; W14-Y560 AromaticContact NE1-CD2 3.06Å; W14-Y560 AromaticContact NE1-CE2 3.69Å; W14-Y560 AromaticContact NE1-CG 3.15Å | |||
| 15 | L | 23.7 | Very low | 34.3 | Very low | 18 Ų | 18 | 32.5 Ų | 32.5 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | trans | 60.7 | 176.9 | 172.5 | -67.2 | 124.7 | 0 | 0 | 0 | 115.4 | N19 R241 A559 | L15-N19 WeakPolarHBondContact CA-OD1 3.21Å; L15-R241 VanDerWaalsContact N-NH1 3.15Å; L15-R241 CarbonylContact O-C 3.53Å; L15-R241 WeakPolarHBondContact O-CB 3.28Å; L15-R241 WeakPolarHBondContact O-CD 3.49Å; L15-R241 WeakPolarHBondContact O-CG 2.91Å; L15-R241 PolarHBondContact O-NH1 3.06Å; L15-R241 VanDerWaalsContact O-O 3.07Å; L15-A559 HydrophobicContact CD1-CB 4.19Å | ||
| 16 | R | 21 | Very low | 33.5 | Very low | 202 Ų | 202 | 32.8 Ų | 32.8 | 76% | 0.762 | 14% | 0.141 | S | C | * | . | S | Bend | cis | -126.6 | 120.8 | -17.8 | -165.2 | 166.5 | -170.5 | 174.1 | 4.4 | 110.6 | ||
| 17 | R | 22.4 | Very low | 33.8 | Very low | 220 Ų | 220 | 33 Ų | 33 | 83% | 0.83 | 14% | 0.142 | S | C | * | . | S | Bend | trans | 67.5 | 117.9 | -170.9 | -63.3 | -179.1 | 167.3 | 178.9 | -4.7 | 111.9 | ||
| 18 | N | 22.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 33.5 Ų | 33.5 | 60% | 0.604 | 14% | 0.144 | S | C | * | . | S | Bend | trans | 68.2 | 75.3 | 177.9 | -48.1 | 8.4 | 0 | 0 | 0 | 111.4 | ||
| 19 | N | 22.4 | Very low | 36.1 | Very low | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | trans | -88.2 | -176.1 | -171.2 | -59.9 | -32.4 | 0 | 0 | 0 | 113.8 | L15 S32 E388 | L15-N19 WeakPolarHBondContact CA-OD1 3.21Å; N19-S32 WeakPolarHBondContact O-CB 3.24Å; N19-S32 PolarHBondContact O-OG 2.79Å; N19-E388 HydrophobicContact CB-CG 4.35Å; N19-E388 VanDerWaalsContact CB-OE2 3.32Å; N19-E388 WeakPolarHBondContact CB-OE2 3.3Å; N19-E388 PolarHBondContact N-OE2 2.97Å; N19-E388 PolarHBondContact ND2-OE1 3.26Å | ||
| 20 | V | 24.9 | Very low | 37.6 | Very low | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | trans | 105.6 | 153.5 | 173.2 | -162.5 | 0 | 0 | 0 | 0 | 114.6 | S32 R33 T34 R241 S386 E388 | V20-S32 VanDerWaalsContact C-C 3.47Å; V20-S32 CarbonylContact C-O 3.58Å; V20-S32 WeakPolarHBondContact CA-O 3.37Å; V20-S32 VanDerWaalsContact CB-C 3.45Å; V20-S32 WeakPolarHBondContact CB-O 3.26Å; V20-S32 WeakPolarHBondContact CG1-O 3.47Å; V20-S32 WeakPolarHBondContact O-CA 3.22Å; V20-R33 HydrophobicContact CB-CG 4.49Å; V20-T34 HydrophobicContact CG1-CG2 3.72Å; V20-R241 PolarHBondContact O-NE 3.11Å; V20-R241 PolarHBondContact O-NH2 3.07Å; V20-S386 WeakPolarHBondContact CG1-O 3.34Å; V20-S386 WeakPolarHBondContact CG2-O 3.26Å; V20-E388 HydrophobicContact CG2-CG 4.38Å | ||
| 21 | E | 28.2 | Very low | 39.6 | Very low | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | trans | -157 | 132.8 | -153.4 | -96.2 | 153.2 | -176.2 | 0 | 0 | 110.2 | W14 S32 T34 R241 E242 Y265 Y267 | W14-E21 PolarHBondContact N-OE1 2.85Å; W14-E21 VanDerWaalsContact N-OE1 3.15Å; W14-E21 PolarHBondContact N-OE2 3.42Å; E21-S32 PolarHBondContact N-O 3.38Å; E21-T34 WeakPolarHBondContact O-CG2 3.44Å; E21-R241 VanDerWaalsContact CD-NH1 3.27Å; E21-R241 IonicContact OE1-CZ 3.71Å; E21-R241 IonicContact OE1-NE 3.54Å; E21-R241 IonicContact OE1-NH1 3.53Å; E21-R241 PolarHBondContact OE1-NH1 3.04Å; E21-R241 IonicContact OE1-NH2 3.71Å; E21-R241 PolarHBondContact OE1-NH2 2.67Å; E21-R241 VanDerWaalsContact OE1-NH2 3.07Å; E21-R241 IonicContact OE2-CZ 2.74Å; E21-R241 IonicContact OE2-NH1 2.75Å; E21-R241 PolarHBondContact OE2-NH1 2.71Å; E21-R241 IonicContact OE2-NH2 3.39Å; E21-R241 PolarHBondContact OE2-NH2 3.26Å; E21-E242 HydrophobicContact CG-CG 4.42Å; E21-E242 VanDerWaalsContact CG-OE1 3.27Å; E21-E242 WeakPolarHBondContact CG-OE1 3.35Å; E21-E242 WeakPolarHBondContact OE1-CG 3.44Å; E21-Y265 WeakPolarHBondContact CB-OH 3.33Å; E21-Y265 HydrophobicContact CG-CE1 4.3Å; E21-Y265 WeakPolarHBondContact CG-OH 3.3Å; E21-Y267 VanDerWaalsContact C-CE2 3.42Å; E21-Y267 HydrophobicContact CB-CE2 4.1Å | ||
| 22 | A | 30.4 | Very low | 41.6 | Very low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -152.6 | 129.4 | -156.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | N26 F30 T34 Y267 | A22-N26 PolarHBondContact O-ND2 3.48Å; A22-F30 HydrophobicContact CB-CB 4.07Å; A22-F30 HydrophobicContact CB-CD1 4.42Å; A22-F30 HydrophobicContact CB-CD2 3.63Å; A22-F30 HydrophobicContact CB-CE2 4.09Å; A22-F30 HydrophobicContact CB-CG 3.8Å; A22-F30 VanDerWaalsContact O-CE1 3.3Å; A22-F30 WeakPolarHBondContact O-CE1 3.29Å; A22-F30 WeakPolarHBondContact O-CZ 3.47Å; A22-T34 VanDerWaalsContact CB-CB 3.41Å; A22-T34 HydrophobicContact CB-CG2 3.51Å; A22-Y267 WeakPolarHBondContact O-CB 3.49Å; A22-Y267 WeakPolarHBondContact O-CD2 3.15Å | ||
| 23 | H | 32.7 | Very low | 43.2 | Very low | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | trans | -8.6 | 155.3 | -179 | -60.3 | -55.8 | 0 | 0 | 0 | 125.6 | P10 N26 G79 T80 Y267 R383 | P10-H23 HydrophobicContact CB-CB 4.34Å; P10-H23 PolarHBondContact O-ND1 3.25Å; H23-N26 WeakPolarHBondContact O-CB 3.06Å; H23-N26 PolarHBondContact O-ND2 3.05Å; H23-G79 WeakPolarHBondContact CB-O 3.13Å; H23-G79 PolarHBondContact CD2-O 2.69Å; H23-T80 HydrophobicContact CB-CG2 3.57Å; H23-Y267 VanDerWaalsContact C-CD1 3.42Å; H23-Y267 HydrophobicContact CB-CD1 4.43Å; H23-Y267 HydrophobicContact CB-CE1 4.41Å; H23-Y267 AromaticContact ND1-CE1 3.65Å; H23-R383 WeakPolarHBondContact NE2-CB 3.25Å | ||
| 24 | A | 34.4 | Very low | 45.1 | Very low | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -96.4 | -28.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P10 N26 R54 Y267 | P10-A24 HydrophobicContact CB-CB 3.69Å; P10-A24 HydrophobicContact CG-CB 4.27Å; A24-N26 PolarHBondContact O-N 2.78Å; A24-N26 VanDerWaalsContact O-N 3.15Å; A24-R54 PolarHBondContact O-NH2 3.36Å; A24-Y267 VanDerWaalsContact CA-CA 3.45Å |
| 25 | S | 40.1 | Very low | 46.8 | Very low | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.5 | 7.2 | 164.3 | 44.4 | 0 | 0 | 0 | 0 | 112.4 | C27 Q78 T80 | S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact O-N 3.16Å; S25-C27 PolarHBondContact O-SG 2.93Å; S25-Q78 PolarHBondContact OG-O 3.34Å; S25-T80 WeakPolarHBondContact CB-OG1 3.32Å; S25-T80 VanDerWaalsContact OG-CG2 3.25Å; S25-T80 WeakPolarHBondContact OG-CG2 3.12Å; S25-T80 PolarHBondContact OG-OG1 2.78Å |
| 26 | N | 53.9 | Low | 49.1 | Very low | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | trans | -63.7 | 88.7 | 167 | -80.9 | -24.5 | 0 | 0 | 0 | 110.5 | A22 H23 A24 W28 F30 T80 | A22-N26 PolarHBondContact O-ND2 3.48Å; H23-N26 WeakPolarHBondContact O-CB 3.06Å; H23-N26 PolarHBondContact O-ND2 3.05Å; A24-N26 PolarHBondContact O-N 2.78Å; A24-N26 VanDerWaalsContact O-N 3.15Å; N26-W28 PolarHBondContact O-N 3.1Å; N26-W28 PolarHBondContact OD1-NE1 2.95Å; N26-F30 HydrophobicContact CB-CD1 3.85Å; N26-F30 HydrophobicContact CB-CE1 4.21Å; N26-F30 VanDerWaalsContact ND2-CD1 3.28Å; N26-F30 WeakPolarHBondContact ND2-CD1 3.39Å; N26-T80 VanDerWaalsContact OD1-CG2 3.31Å; N26-T80 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 27 | C | 64 | Low | 51.8 | Low | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | trans | -66.6 | -31 | 171 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | S25 G50 V51 W82 V308 | S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact O-N 3.16Å; S25-C27 PolarHBondContact O-SG 2.93Å; C27-G50 WeakPolarHBondContact O-CA 3.41Å; C27-V51 HydrophobicContact CB-CG1 3.9Å; C27-V51 WeakPolarHBondContact O-CG1 3.45Å; C27-V51 PolarHBondContact O-N 2.89Å; C27-W82 HydrophobicContact CB-CD2 4.08Å; C27-W82 HydrophobicContact CB-CE3 3.85Å; C27-W82 HydrophobicContact CB-CH2 3.51Å; C27-W82 HydrophobicContact CB-CZ2 3.77Å; C27-W82 HydrophobicContact CB-CZ3 3.56Å; C27-V308 HydrophobicContact CB-CG2 4Å | ||
| 28 | W | 73.1 | Confident | 54.3 | Low | 14 Ų | 14 | 24 Ų | 24 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -81.6 | 163.5 | 169.6 | 68.5 | -14.9 | 0 | 0 | 0 | 114.4 | N26 A36 G50 V308 E312 | N26-W28 PolarHBondContact O-N 3.1Å; N26-W28 PolarHBondContact OD1-NE1 2.95Å; W28-A36 HydrophobicContact CE3-CB 4.07Å; W28-A36 HydrophobicContact CH2-CB 3.77Å; W28-A36 VanDerWaalsContact CH2-N 3.31Å; W28-A36 VanDerWaalsContact CZ3-CA 3.42Å; W28-A36 HydrophobicContact CZ3-CB 3.29Å; W28-G50 VanDerWaalsContact C-CA 3.41Å; W28-G50 WeakPolarHBondContact O-CA 3.46Å; W28-G50 PolarHBondContact O-N 3.04Å; W28-V308 HydrophobicContact CB-CG1 4.12Å; W28-E312 VanDerWaalsContact CB-OE1 3.28Å; W28-E312 WeakPolarHBondContact CB-OE1 3.49Å; W28-E312 VanDerWaalsContact CE3-CD 3.46Å; W28-E312 HydrophobicContact CE3-CG 4.34Å; W28-E312 VanDerWaalsContact CE3-OE2 3.25Å |
| 29 | R | 81.7 | Confident | 56.9 | Low | 84 Ų | 84 | 25.1 Ų | 25.1 | 32% | 0.317 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.1 | 168.7 | -49 | 161.7 | -63.6 | -157.8 | 2.9 | 108.9 | C37 C47 W48 D300 | R29-C37 PolarHBondContact O-SG 2.89Å; R29-C37 VanDerWaalsContact O-SG 3.38Å; R29-C47 VanDerWaalsContact CB-SG 3.51Å; R29-W48 CarbonylContact C-O 3.57Å; R29-W48 WeakPolarHBondContact CA-O 3.43Å; R29-D300 WeakPolarHBondContact CD-OD1 3.08Å; R29-D300 WeakPolarHBondContact CD-OD2 3.47Å; R29-D300 IonicContact CZ-OD2 2.86Å; R29-D300 IonicContact NE-OD2 3.3Å; R29-D300 IonicContact NH1-OD2 3.09Å; R29-D300 PolarHBondContact NH1-OD2 2.82Å |
| 30 | F | 74.6 | Confident | 59.8 | Low | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.3 | 177.8 | 48.5 | -92.8 | 0 | 0 | 0 | 111.2 | A22 N26 Q35 C37 C47 W48 K269 | A22-F30 HydrophobicContact CB-CB 4.07Å; A22-F30 HydrophobicContact CB-CD1 4.42Å; A22-F30 HydrophobicContact CB-CD2 3.63Å; A22-F30 HydrophobicContact CB-CE2 4.09Å; A22-F30 HydrophobicContact CB-CG 3.8Å; A22-F30 VanDerWaalsContact O-CE1 3.3Å; A22-F30 WeakPolarHBondContact O-CE1 3.29Å; A22-F30 WeakPolarHBondContact O-CZ 3.47Å; N26-F30 HydrophobicContact CB-CD1 3.85Å; N26-F30 HydrophobicContact CB-CE1 4.21Å; N26-F30 VanDerWaalsContact ND2-CD1 3.28Å; N26-F30 WeakPolarHBondContact ND2-CD1 3.39Å; F30-Q35 WeakPolarHBondContact CA-O 3.41Å; F30-C37 PolarHBondContact O-SG 2.96Å; F30-C47 CarbonylContact O-C 3.52Å; F30-C47 WeakPolarHBondContact O-CA 3.5Å; F30-W48 WeakPolarHBondContact CD1-O 3.49Å; F30-W48 HydrophobicContact CE2-CB 4.13Å; F30-W48 PolarHBondContact N-O 3.06Å; F30-W48 PolarHBondContact O-N 2.6Å; F30-K269 HydrophobicContact CE2-CB 4.15Å; F30-K269 HydrophobicContact CE2-CD 4.4Å; F30-K269 HydrophobicContact CE2-CG 3.85Å; F30-K269 HydrophobicContact CZ-CB 3.67Å; F30-K269 HydrophobicContact CZ-CG 3.84Å |
| 31 | N | 74.1 | Confident | 62.6 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -175.6 | 164.3 | 61.7 | 21.9 | 0 | 0 | 0 | 109.6 | R33 Q35 A36 C37 E41 Q46 | N31-R33 PolarHBondContact ND2-NH2 3.17Å; N31-R33 PolarHBondContact O-N 3.25Å; N31-R33 PolarHBondContact OD1-N 2.77Å; N31-Q35 PolarHBondContact N-O 2.91Å; N31-Q35 WeakPolarHBondContact OD1-CB 3.21Å; N31-Q35 PolarHBondContact OD1-N 3.43Å; N31-Q35 VanDerWaalsContact OD1-N 3.11Å; N31-Q35 PolarHBondContact OD1-O 2.91Å; N31-A36 PolarHBondContact ND2-O 3.09Å; N31-C37 HydrophobicContact CB-CB 4.47Å; N31-C37 PolarHBondContact N-SG 3.01Å; N31-E41 HydrophobicContact CB-CB 4.35Å; N31-E41 HydrophobicContact CB-CG 4.39Å; N31-E41 PolarHBondContact ND2-OE1 2.68Å; N31-E41 PolarHBondContact ND2-OE2 2.69Å; N31-Q46 VanDerWaalsContact CA-O 3.32Å; N31-Q46 WeakPolarHBondContact CA-O 3.29Å |
| 32 | S | 67.2 | Low | 65.1 | Low | 14 Ų | 14 | 32.6 Ų | 32.6 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -51.8 | 173.5 | 76.5 | 0 | 0 | 0 | 0 | 111.6 | N19 V20 E21 T34 | N19-S32 WeakPolarHBondContact O-CB 3.24Å; N19-S32 PolarHBondContact O-OG 2.79Å; V20-S32 VanDerWaalsContact C-C 3.47Å; V20-S32 CarbonylContact C-O 3.58Å; V20-S32 WeakPolarHBondContact CA-O 3.37Å; V20-S32 VanDerWaalsContact CB-C 3.45Å; V20-S32 WeakPolarHBondContact CB-O 3.26Å; V20-S32 WeakPolarHBondContact CG1-O 3.47Å; V20-S32 WeakPolarHBondContact O-CA 3.22Å; E21-S32 PolarHBondContact N-O 3.38Å; S32-T34 PolarHBondContact O-N 3.01Å |
| 33 | R | 62.4 | Low | 67.6 | Low | 72 Ų | 72 | 40.7 Ų | 40.7 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 15 | -171.6 | -66.8 | -177.9 | -52.6 | -69 | -6.7 | 117.6 | V20 N31 Q35 E41 | V20-R33 HydrophobicContact CB-CG 4.49Å; N31-R33 PolarHBondContact ND2-NH2 3.17Å; N31-R33 PolarHBondContact O-N 3.25Å; N31-R33 PolarHBondContact OD1-N 2.77Å; R33-Q35 HydrophobicContact CB-CB 4.5Å; R33-Q35 HydrophobicContact CB-CG 4.17Å; R33-Q35 WeakPolarHBondContact O-CG 3.35Å; R33-Q35 PolarHBondContact O-N 3.48Å; R33-E41 IonicContact CZ-OE1 3.75Å; R33-E41 IonicContact NH1-OE1 2.69Å; R33-E41 PolarHBondContact NH1-OE1 2.82Å; R33-E41 IonicContact NH2-OE1 2.66Å; R33-E41 PolarHBondContact NH2-OE1 3.35Å; R33-E41 IonicContact NH2-OE2 3.69Å |
| 34 | T | 62.9 | Low | 70.1 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 67.2 | 14.2 | -174.2 | 83.7 | 0 | 0 | 0 | 0 | 115 | V20 E21 A22 S32 T400 | V20-T34 HydrophobicContact CG1-CG2 3.72Å; E21-T34 WeakPolarHBondContact O-CG2 3.44Å; A22-T34 VanDerWaalsContact CB-CB 3.41Å; A22-T34 HydrophobicContact CB-CG2 3.51Å; S32-T34 PolarHBondContact O-N 3.01Å; T34-T400 VanDerWaalsContact OG1-CG2 3.26Å; T34-T400 WeakPolarHBondContact OG1-CG2 3.37Å |
| 35 | Q | 66.6 | Low | 72.6 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -109.1 | 172 | -172.9 | -67.4 | 166.1 | -16.6 | 0 | 0 | 111.2 | F30 N31 R33 C37 D397 | F30-Q35 WeakPolarHBondContact CA-O 3.41Å; N31-Q35 PolarHBondContact N-O 2.91Å; N31-Q35 WeakPolarHBondContact OD1-CB 3.21Å; N31-Q35 PolarHBondContact OD1-N 3.43Å; N31-Q35 VanDerWaalsContact OD1-N 3.11Å; N31-Q35 PolarHBondContact OD1-O 2.91Å; R33-Q35 HydrophobicContact CB-CB 4.5Å; R33-Q35 HydrophobicContact CB-CG 4.17Å; R33-Q35 WeakPolarHBondContact O-CG 3.35Å; R33-Q35 PolarHBondContact O-N 3.48Å; Q35-C37 PolarHBondContact O-N 2.72Å; Q35-D397 PolarHBondContact NE2-OD1 3.29Å |
| 36 | A | 70.2 | Confident | 74.7 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -48.5 | 131.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | W28 N31 S38 | W28-A36 HydrophobicContact CE3-CB 4.07Å; W28-A36 HydrophobicContact CH2-CB 3.77Å; W28-A36 VanDerWaalsContact CH2-N 3.31Å; W28-A36 VanDerWaalsContact CZ3-CA 3.42Å; W28-A36 HydrophobicContact CZ3-CB 3.29Å; N31-A36 PolarHBondContact ND2-O 3.09Å; A36-S38 PolarHBondContact O-N 3.39Å |
| 37 | C | 77.8 | Confident | 76.2 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 123.7 | 166.5 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | R29 F30 N31 Q35 E41 V42 C47 | R29-C37 PolarHBondContact O-SG 2.89Å; R29-C37 VanDerWaalsContact O-SG 3.38Å; F30-C37 PolarHBondContact O-SG 2.96Å; N31-C37 HydrophobicContact CB-CB 4.47Å; N31-C37 PolarHBondContact N-SG 3.01Å; Q35-C37 PolarHBondContact O-N 2.72Å; C37-E41 HydrophobicContact CB-CB 4.5Å; C37-V42 HydrophobicContact CB-CG2 3.55Å; C37-C47 HydrophobicContact CB-CB 3.8Å; C37-C47 WeakPolarHBondContact CB-SG 3.38Å; C37-C47 WeakPolarHBondContact SG-CB 3.47Å; C37-C47 CovalentContact SG-SG 2.03Å; C37-C47 PolarHBondContact SG-SG 2.75Å |
| 38 | S | 76.1 | Confident | 77.4 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 37% | 0.371 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 154.3 | 158.8 | 62.1 | 0 | 0 | 0 | 0 | 109.9 | A36 E40 E41 V42 | A36-S38 PolarHBondContact O-N 3.39Å; S38-E40 PolarHBondContact O-N 3.34Å; S38-E40 VanDerWaalsContact O-N 3.12Å; S38-E41 WeakPolarHBondContact CB-OE2 3.28Å; S38-E41 PolarHBondContact N-OE2 2.79Å; S38-E41 PolarHBondContact O-N 2.98Å; S38-E41 VanDerWaalsContact O-N 3.07Å; S38-E41 VanDerWaalsContact OG-CD 3.23Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.43Å; S38-E41 PolarHBondContact OG-N 3.29Å; S38-E41 PolarHBondContact OG-OE2 2.91Å; S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å |
| 39 | E | 77.1 | Confident | 78.1 | Confident | 136 Ų | 136 | 48.2 Ų | 48.2 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.4 | -29.9 | 174.7 | -62.9 | -173.5 | 171.3 | 0 | 0 | 112.9 | V42 R43 | E39-V42 PolarHBondContact O-N 3.49Å; E39-R43 VanDerWaalsContact CB-NH2 3.26Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 VanDerWaalsContact O-CG 3.3Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.14Å; E39-R43 PolarHBondContact O-NE 2.91Å; E39-R43 IonicContact OE2-CZ 3.69Å; E39-R43 IonicContact OE2-NH1 3.87Å; E39-R43 PolarHBondContact OE2-NH1 3.2Å; E39-R43 IonicContact OE2-NH2 2.82Å; E39-R43 PolarHBondContact OE2-NH2 2.04Å |
| 40 | E | 83.4 | Confident | 78.4 | Confident | 148 Ų | 148 | 44.2 Ų | 44.2 | 69% | 0.692 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.4 | -45.2 | 176.6 | -170.8 | 169.1 | 177.5 | 0 | 0 | 111.2 | S38 V42 R43 A44 | S38-E40 PolarHBondContact O-N 3.34Å; S38-E40 VanDerWaalsContact O-N 3.12Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.3Å; E40-R43 PolarHBondContact O-N 2.7Å; E40-A44 VanDerWaalsContact O-CB 3.25Å; E40-A44 WeakPolarHBondContact O-CB 3.29Å; E40-A44 PolarHBondContact O-N 2.9Å |
| 41 | E | 84.2 | Confident | 79.1 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 173.9 | -70.9 | 160.6 | 143.5 | 0 | 0 | 112.1 | N31 R33 C37 S38 A44 N45 Q46 | N31-E41 HydrophobicContact CB-CB 4.35Å; N31-E41 HydrophobicContact CB-CG 4.39Å; N31-E41 PolarHBondContact ND2-OE1 2.68Å; N31-E41 PolarHBondContact ND2-OE2 2.69Å; R33-E41 IonicContact CZ-OE1 3.75Å; R33-E41 IonicContact NH1-OE1 2.69Å; R33-E41 PolarHBondContact NH1-OE1 2.82Å; R33-E41 IonicContact NH2-OE1 2.66Å; R33-E41 PolarHBondContact NH2-OE1 3.35Å; R33-E41 IonicContact NH2-OE2 3.69Å; C37-E41 HydrophobicContact CB-CB 4.5Å; S38-E41 WeakPolarHBondContact CB-OE2 3.28Å; S38-E41 PolarHBondContact N-OE2 2.79Å; S38-E41 PolarHBondContact O-N 2.98Å; S38-E41 VanDerWaalsContact O-N 3.07Å; S38-E41 VanDerWaalsContact OG-CD 3.23Å; S38-E41 VanDerWaalsContact OG-CG 3.26Å; S38-E41 WeakPolarHBondContact OG-CG 3.43Å; S38-E41 PolarHBondContact OG-N 3.29Å; S38-E41 PolarHBondContact OG-OE2 2.91Å; E41-A44 PolarHBondContact O-N 3.17Å; E41-N45 PolarHBondContact O-N 2.89Å; E41-Q46 HydrophobicContact CB-CB 4.12Å; E41-Q46 HydrophobicContact CG-CB 4.32Å; E41-Q46 PolarHBondContact O-N 2.93Å |
| 42 | V | 80.5 | Confident | 79.9 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | C37 S38 E39 E40 A44 N45 C47 N296 | C37-V42 HydrophobicContact CB-CG2 3.55Å; S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å; E39-V42 PolarHBondContact O-N 3.49Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-V42 PolarHBondContact O-N 3.3Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 2.88Å; V42-N45 PolarHBondContact O-N 3.27Å; V42-C47 HydrophobicContact CG2-CB 4.35Å; V42-N296 PolarHBondContact O-ND2 3.35Å |
| 43 | R | 81.7 | Confident | 81.1 | Confident | 170 Ų | 170 | 44 Ų | 44 | 64% | 0.642 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.7 | -32.4 | 178.3 | -75.1 | -178.1 | -71.9 | -106.4 | 1.4 | 112.8 | E39 E40 N45 | E39-R43 VanDerWaalsContact CB-NH2 3.26Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 VanDerWaalsContact O-CG 3.3Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.14Å; E39-R43 PolarHBondContact O-NE 2.91Å; E39-R43 IonicContact OE2-CZ 3.69Å; E39-R43 IonicContact OE2-NH1 3.87Å; E39-R43 PolarHBondContact OE2-NH1 3.2Å; E39-R43 IonicContact OE2-NH2 2.82Å; E39-R43 PolarHBondContact OE2-NH2 2.04Å; E40-R43 PolarHBondContact O-N 2.7Å; R43-N45 VanDerWaalsContact C-N 3.31Å; R43-N45 PolarHBondContact O-N 3.23Å |
| 44 | A | 86.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 41 Ų | 41 | 45% | 0.446 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E40 E41 V42 Q46 | E40-A44 VanDerWaalsContact O-CB 3.25Å; E40-A44 WeakPolarHBondContact O-CB 3.29Å; E40-A44 PolarHBondContact O-N 2.9Å; E41-A44 PolarHBondContact O-N 3.17Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 2.88Å; A44-Q46 HydrophobicContact CB-CG 3.93Å; A44-Q46 PolarHBondContact O-N 2.78Å |
| 45 | N | 85.7 | Confident | 84 | Confident | 45 Ų | 45 | 41.8 Ų | 41.8 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34 | -170.8 | -157.8 | 24.2 | 0 | 0 | 0 | 114.3 | E41 V42 R43 C47 D295 N296 | E41-N45 PolarHBondContact O-N 2.89Å; V42-N45 PolarHBondContact O-N 3.27Å; R43-N45 VanDerWaalsContact C-N 3.31Å; R43-N45 PolarHBondContact O-N 3.23Å; N45-C47 VanDerWaalsContact C-N 3.3Å; N45-D295 PolarHBondContact ND2-OD2 2.93Å; N45-D295 WeakPolarHBondContact OD1-CB 3.25Å; N45-N296 WeakPolarHBondContact CB-ND2 3.4Å; N45-N296 VanDerWaalsContact CG-CG 3.4Å; N45-N296 VanDerWaalsContact CG-OD1 3.24Å; N45-N296 WeakPolarHBondContact OD1-CB 3.21Å; N45-N296 PolarHBondContact OD1-N 2.92Å; N45-N296 PolarHBondContact OD1-OD1 2.59Å |
| 46 | Q | 85.2 | Confident | 85.4 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | trans | -100.3 | 33.5 | 177 | -64.4 | 174.5 | -12.4 | 0 | 0 | 111 | N31 E41 A44 | N31-Q46 VanDerWaalsContact CA-O 3.32Å; N31-Q46 WeakPolarHBondContact CA-O 3.29Å; E41-Q46 HydrophobicContact CB-CB 4.12Å; E41-Q46 HydrophobicContact CG-CB 4.32Å; E41-Q46 PolarHBondContact O-N 2.93Å; A44-Q46 HydrophobicContact CB-CG 3.93Å; A44-Q46 PolarHBondContact O-N 2.78Å | ||
| 47 | C | 86.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 121 | -165.1 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | R29 F30 C37 V42 N45 R53 | R29-C47 VanDerWaalsContact CB-SG 3.51Å; F30-C47 CarbonylContact O-C 3.52Å; F30-C47 WeakPolarHBondContact O-CA 3.5Å; C37-C47 HydrophobicContact CB-CB 3.8Å; C37-C47 WeakPolarHBondContact CB-SG 3.38Å; C37-C47 WeakPolarHBondContact SG-CB 3.47Å; C37-C47 CovalentContact SG-SG 2.03Å; C37-C47 PolarHBondContact SG-SG 2.75Å; V42-C47 HydrophobicContact CG2-CB 4.35Å; N45-C47 VanDerWaalsContact C-N 3.3Å; C47-R53 PolarHBondContact O-NH1 2.95Å |
| 48 | W | 88.4 | Confident | 87.4 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 167.7 | -167.6 | -55.3 | -72.5 | 0 | 0 | 0 | 112.9 | R29 F30 K269 L293 L294 | R29-W48 CarbonylContact C-O 3.57Å; R29-W48 WeakPolarHBondContact CA-O 3.43Å; F30-W48 WeakPolarHBondContact CD1-O 3.49Å; F30-W48 HydrophobicContact CE2-CB 4.13Å; F30-W48 PolarHBondContact N-O 3.06Å; F30-W48 PolarHBondContact O-N 2.6Å; W48-K269 HydrophobicContact CB-CD 4.44Å; W48-K269 HydrophobicContact CB-CG 3.69Å; W48-K269 HydrophobicContact CG-CG 4.27Å; W48-L293 HydrophobicContact CG-CD1 4.39Å; W48-L294 CarbonylContact C-O 3.49Å; W48-L294 WeakPolarHBondContact CA-O 3.49Å |
| 49 | G | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | -144.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R53 G268 L294 | G49-R53 WeakPolarHBondContact O-CD 3.25Å; G49-G268 WeakPolarHBondContact CA-O 3.32Å; G49-L294 PolarHBondContact N-O 2.66Å |
| 50 | G | 87.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 83 | 136.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | C27 W28 A52 R53 R54 | C27-G50 WeakPolarHBondContact O-CA 3.41Å; W28-G50 VanDerWaalsContact C-CA 3.41Å; W28-G50 WeakPolarHBondContact O-CA 3.46Å; W28-G50 PolarHBondContact O-N 3.04Å; G50-A52 VanDerWaalsContact C-N 3.29Å; G50-A52 PolarHBondContact O-N 2.95Å; G50-R53 PolarHBondContact O-N 3.14Å; G50-R54 PolarHBondContact O-N 2.82Å | ||
| 51 | V | 89.2 | Confident | 89.8 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.6 | -22.6 | -173.8 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | C27 R54 M55 V94 L98 V304 V308 | C27-V51 HydrophobicContact CB-CG1 3.9Å; C27-V51 WeakPolarHBondContact O-CG1 3.45Å; C27-V51 PolarHBondContact O-N 2.89Å; V51-R54 WeakPolarHBondContact O-CB 3.43Å; V51-R54 PolarHBondContact O-N 3.01Å; V51-M55 WeakPolarHBondContact O-CB 3.4Å; V51-M55 PolarHBondContact O-N 2.9Å; V51-V94 HydrophobicContact CG1-CB 3.98Å; V51-V94 HydrophobicContact CG1-CG1 3.92Å; V51-V94 HydrophobicContact CG1-CG2 4.3Å; V51-V94 HydrophobicContact CG2-CB 3.99Å; V51-V94 HydrophobicContact CG2-CG2 3.99Å; V51-L98 HydrophobicContact CG2-CD1 3.51Å; V51-L98 HydrophobicContact CG2-CG 4.21Å; V51-V304 HydrophobicContact CG1-CG1 3.53Å; V51-V308 HydrophobicContact CG1-CG2 3.94Å |
| 52 | A | 91.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -45.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | G50 R54 M55 T56 D300 D301 V304 A305 | G50-A52 VanDerWaalsContact C-N 3.29Å; G50-A52 PolarHBondContact O-N 2.95Å; A52-R54 VanDerWaalsContact C-N 3.33Å; A52-R54 PolarHBondContact O-N 3.3Å; A52-M55 WeakPolarHBondContact O-CB 3.41Å; A52-M55 PolarHBondContact O-N 3.48Å; A52-T56 PolarHBondContact O-N 2.95Å; A52-T56 VanDerWaalsContact O-N 3.11Å; A52-T56 PolarHBondContact O-OG1 3.49Å; A52-D300 HydrophobicContact CB-CB 3.73Å; A52-D301 WeakPolarHBondContact O-CB 3.35Å; A52-D301 PolarHBondContact O-N 2.74Å; A52-V304 HydrophobicContact CB-CB 4.01Å; A52-V304 HydrophobicContact CB-CG1 3.88Å; A52-A305 HydrophobicContact CB-CB 4.13Å |
| 53 | R | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 169 | -64.5 | -163.7 | 178 | 152 | -2.7 | 112.5 | C47 G49 G50 M55 T56 A57 L294 D295 F298 D300 | C47-R53 PolarHBondContact O-NH1 2.95Å; G49-R53 WeakPolarHBondContact O-CD 3.25Å; G50-R53 PolarHBondContact O-N 3.14Å; R53-M55 VanDerWaalsContact C-N 3.28Å; R53-M55 PolarHBondContact O-N 3.11Å; R53-T56 PolarHBondContact O-N 3.17Å; R53-A57 WeakPolarHBondContact O-CB 3.26Å; R53-A57 PolarHBondContact O-N 2.97Å; R53-L294 HydrophobicContact CB-CB 4.37Å; R53-L294 WeakPolarHBondContact CD-O 3.24Å; R53-L294 PolarHBondContact NH1-O 3.42Å; R53-D295 VanDerWaalsContact CD-O 3.31Å; R53-D295 WeakPolarHBondContact CD-O 3.39Å; R53-D295 VanDerWaalsContact CZ-C 3.45Å; R53-D295 VanDerWaalsContact CZ-O 3.29Å; R53-D295 PolarHBondContact NE-O 3.29Å; R53-D295 PolarHBondContact NH1-O 2.89Å; R53-F298 HydrophobicContact CB-CB 4.1Å; R53-F298 WeakPolarHBondContact CD-O 3.38Å; R53-F298 HydrophobicContact CG-CB 4.27Å; R53-F298 PolarHBondContact NE-O 2.86Å; R53-D300 VanDerWaalsContact CG-OD1 3.27Å; R53-D300 WeakPolarHBondContact CG-OD1 3.39Å |
| 54 | R | 92.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -43 | 176.4 | -158.2 | -171 | -61.3 | 174.2 | 5.8 | 110.6 | A24 G50 V51 A52 A57 V58 L98 Y100 L271 L294 | A24-R54 PolarHBondContact O-NH2 3.36Å; G50-R54 PolarHBondContact O-N 2.82Å; V51-R54 WeakPolarHBondContact O-CB 3.43Å; V51-R54 PolarHBondContact O-N 3.01Å; A52-R54 VanDerWaalsContact C-N 3.33Å; A52-R54 PolarHBondContact O-N 3.3Å; R54-A57 PolarHBondContact O-N 2.96Å; R54-V58 VanDerWaalsContact O-CB 3.27Å; R54-V58 WeakPolarHBondContact O-CB 3.49Å; R54-V58 WeakPolarHBondContact O-CG2 3.15Å; R54-V58 PolarHBondContact O-N 3.17Å; R54-L98 HydrophobicContact CB-CD2 4.39Å; R54-L98 HydrophobicContact CG-CD2 4.36Å; R54-Y100 PolarHBondContact NH1-OH 3.5Å; R54-Y100 VanDerWaalsContact NH1-OH 3.16Å; R54-L271 HydrophobicContact CG-CD1 3.94Å; R54-L294 HydrophobicContact CB-CD1 3.81Å; R54-L294 HydrophobicContact CG-CD1 3.97Å |
| 55 | M | 93.7 | Very high | 92.1 | Very high | 20 Ų | 20 | 36 Ų | 36 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.3 | -178.3 | 61 | 152.6 | 0 | 0 | 112.1 | V51 A52 R53 A57 V58 N59 L97 L98 D301 V304 | V51-M55 WeakPolarHBondContact O-CB 3.4Å; V51-M55 PolarHBondContact O-N 2.9Å; A52-M55 WeakPolarHBondContact O-CB 3.41Å; A52-M55 PolarHBondContact O-N 3.48Å; R53-M55 VanDerWaalsContact C-N 3.28Å; R53-M55 PolarHBondContact O-N 3.11Å; M55-A57 PolarHBondContact O-N 3.28Å; M55-V58 PolarHBondContact O-N 3.37Å; M55-N59 WeakPolarHBondContact CG-ND2 3.06Å; M55-N59 VanDerWaalsContact O-CB 3.24Å; M55-N59 WeakPolarHBondContact O-CB 3.46Å; M55-N59 VanDerWaalsContact O-CG 3.28Å; M55-N59 PolarHBondContact O-N 3.3Å; M55-N59 PolarHBondContact O-ND2 2.9Å; M55-N59 PolarHBondContact SD-ND2 2.78Å; M55-L97 VanDerWaalsContact CE-O 3.27Å; M55-L97 WeakPolarHBondContact CE-O 3.46Å; M55-L98 HydrophobicContact CB-CD2 3.96Å; M55-L98 HydrophobicContact SD-CD2 4.13Å; M55-D301 HydrophobicContact CB-CB 3.91Å; M55-D301 HydrophobicContact CG-CB 3.83Å; M55-D301 VanDerWaalsContact CG-OD2 3.32Å; M55-D301 WeakPolarHBondContact CG-OD2 3.38Å; M55-V304 HydrophobicContact CB-CG2 4Å; M55-V304 HydrophobicContact CG-CG2 3.86Å |
| 56 | T | 96.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | A52 R53 N59 K60 F298 E299 D301 | A52-T56 PolarHBondContact O-N 2.95Å; A52-T56 VanDerWaalsContact O-N 3.11Å; A52-T56 PolarHBondContact O-OG1 3.49Å; R53-T56 PolarHBondContact O-N 3.17Å; T56-N59 PolarHBondContact O-N 2.84Å; T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 2.97Å; T56-F298 HydrophobicContact CG2-CD1 4.4Å; T56-E299 WeakPolarHBondContact CB-O 3.22Å; T56-E299 WeakPolarHBondContact CG2-O 3.37Å; T56-E299 PolarHBondContact OG1-O 3.26Å; T56-D301 PolarHBondContact OG1-N 3.28Å |
| 57 | A | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R53 R54 M55 K60 I61 L271 L294 F298 | R53-A57 WeakPolarHBondContact O-CB 3.26Å; R53-A57 PolarHBondContact O-N 2.97Å; R54-A57 PolarHBondContact O-N 2.96Å; M55-A57 PolarHBondContact O-N 3.28Å; A57-K60 PolarHBondContact O-N 3.08Å; A57-I61 WeakPolarHBondContact O-CG1 3.39Å; A57-I61 PolarHBondContact O-N 3.23Å; A57-L271 HydrophobicContact CB-CD2 3.73Å; A57-L294 HydrophobicContact CB-CD2 3.69Å; A57-F298 HydrophobicContact CB-CD1 3.69Å; A57-F298 HydrophobicContact CB-CE1 3.51Å; A57-F298 HydrophobicContact CB-CG 4.4Å; A57-F298 HydrophobicContact CB-CZ 4.08Å |
| 58 | V | 94 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 176.1 | 163.2 | 0 | 0 | 0 | 0 | 111.5 | V5 R54 M55 I61 R62 L70 L98 L271 | V5-V58 HydrophobicContact CG1-CG2 4.25Å; R54-V58 VanDerWaalsContact O-CB 3.27Å; R54-V58 WeakPolarHBondContact O-CB 3.49Å; R54-V58 WeakPolarHBondContact O-CG2 3.15Å; R54-V58 PolarHBondContact O-N 3.17Å; M55-V58 PolarHBondContact O-N 3.37Å; V58-I61 PolarHBondContact O-N 3Å; V58-R62 VanDerWaalsContact CG1-NH1 3.25Å; V58-R62 WeakPolarHBondContact O-CB 2.86Å; V58-R62 WeakPolarHBondContact O-CG 3.32Å; V58-R62 PolarHBondContact O-N 3.02Å; V58-L70 HydrophobicContact CG1-CD2 3.99Å; V58-L70 HydrophobicContact CG2-CD1 3.85Å; V58-L70 HydrophobicContact CG2-CD2 4.21Å; V58-L98 HydrophobicContact CG2-CD2 4.35Å; V58-L271 HydrophobicContact CG2-CD1 4.25Å; V58-L271 HydrophobicContact CG2-CD2 3.91Å |
| 59 | N | 96.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 41 Ų | 41 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 179 | -76.8 | -27.2 | 0 | 0 | 0 | 111.6 | M55 T56 R62 Q63 R99 | M55-N59 WeakPolarHBondContact CG-ND2 3.06Å; M55-N59 VanDerWaalsContact O-CB 3.24Å; M55-N59 WeakPolarHBondContact O-CB 3.46Å; M55-N59 VanDerWaalsContact O-CG 3.28Å; M55-N59 PolarHBondContact O-N 3.3Å; M55-N59 PolarHBondContact O-ND2 2.9Å; M55-N59 PolarHBondContact SD-ND2 2.78Å; T56-N59 PolarHBondContact O-N 2.84Å; N59-R62 PolarHBondContact O-N 3.13Å; N59-Q63 VanDerWaalsContact O-CG 3.26Å; N59-Q63 WeakPolarHBondContact O-CG 3.29Å; N59-Q63 PolarHBondContact O-N 3.38Å; N59-Q63 VanDerWaalsContact O-N 3.08Å; N59-R99 PolarHBondContact OD1-NH2 3.39Å |
| 60 | K | 96.7 | Very high | 93.9 | Very high | 100 Ų | 100 | 41 Ų | 41 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.7 | -51.6 | 173.2 | 179.9 | 178.7 | 176 | -179.2 | 0 | 111.6 | T56 A57 R62 Q63 E64 | T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 2.97Å; A57-K60 PolarHBondContact O-N 3.08Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.26Å; K60-Q63 PolarHBondContact O-N 3.32Å; K60-E64 VanDerWaalsContact CE-CD 3.42Å; K60-E64 WeakPolarHBondContact CE-OE1 3.38Å; K60-E64 WeakPolarHBondContact CE-OE2 2.94Å; K60-E64 HydrophobicContact CG-CG 4.35Å; K60-E64 IonicContact NZ-OE1 3.59Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.37Å |
| 61 | I | 94.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 177.9 | -64.7 | 165.3 | 0 | 0 | 0 | 110.4 | I3 V5 A57 V58 Q63 E64 E65 V68 L271 I292 | I3-I61 HydrophobicContact CG2-CG2 4.26Å; V5-I61 HydrophobicContact CG1-CD1 4.5Å; V5-I61 HydrophobicContact CG2-CD1 3.93Å; V5-I61 HydrophobicContact CG2-CG2 3.85Å; A57-I61 WeakPolarHBondContact O-CG1 3.39Å; A57-I61 PolarHBondContact O-N 3.23Å; V58-I61 PolarHBondContact O-N 3Å; I61-Q63 PolarHBondContact O-N 3.49Å; I61-E64 PolarHBondContact O-N 2.9Å; I61-E65 HydrophobicContact CG2-CB 4.41Å; I61-E65 HydrophobicContact CG2-CG 4.2Å; I61-E65 WeakPolarHBondContact O-CB 3.33Å; I61-E65 PolarHBondContact O-N 3.05Å; I61-V68 HydrophobicContact CG2-CG1 4.2Å; I61-V68 HydrophobicContact CG2-CG2 4.1Å; I61-L271 HydrophobicContact CD1-CD2 4.21Å; I61-I292 HydrophobicContact CD1-CD1 3.9Å |
| 62 | R | 94.5 | Very high | 94.7 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 24% | 0.242 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -12.9 | 176.8 | -74.2 | 171.9 | 166 | 164.9 | -7.2 | 115.3 | V58 N59 K60 V68 L98 R99 D101 | V58-R62 VanDerWaalsContact CG1-NH1 3.25Å; V58-R62 WeakPolarHBondContact O-CB 2.86Å; V58-R62 WeakPolarHBondContact O-CG 3.32Å; V58-R62 PolarHBondContact O-N 3.02Å; N59-R62 PolarHBondContact O-N 3.13Å; K60-R62 VanDerWaalsContact C-N 3.28Å; K60-R62 PolarHBondContact O-N 3.26Å; R62-V68 HydrophobicContact CG-CB 4.33Å; R62-V68 HydrophobicContact CG-CG1 4.15Å; R62-L98 PolarHBondContact NH1-O 3.02Å; R62-R99 PolarHBondContact NH2-O 2.61Å; R62-D101 IonicContact NH2-OD2 3.73Å |
| 63 | Q | 96.9 | Very high | 94.9 | Very high | 161 Ų | 161 | 40.7 Ų | 40.7 | 75% | 0.752 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -95 | -38.8 | 173.3 | -71.3 | 167.7 | 24 | 0 | 0 | 111.9 | N59 K60 I61 | N59-Q63 VanDerWaalsContact O-CG 3.26Å; N59-Q63 WeakPolarHBondContact O-CG 3.29Å; N59-Q63 PolarHBondContact O-N 3.38Å; N59-Q63 VanDerWaalsContact O-N 3.08Å; K60-Q63 PolarHBondContact O-N 3.32Å; I61-Q63 PolarHBondContact O-N 3.49Å |
| 64 | E | 95.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 40.5 Ų | 40.5 | 54% | 0.542 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -76 | -33.4 | 179.9 | -67.8 | 176.6 | 157.1 | 0 | 0 | 112.1 | K60 I61 | K60-E64 VanDerWaalsContact CE-CD 3.42Å; K60-E64 WeakPolarHBondContact CE-OE1 3.38Å; K60-E64 WeakPolarHBondContact CE-OE2 2.94Å; K60-E64 HydrophobicContact CG-CG 4.35Å; K60-E64 IonicContact NZ-OE1 3.59Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.37Å; I61-E64 PolarHBondContact O-N 2.9Å |
| 65 | E | 93.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | trans | -120.1 | 156.9 | -165.6 | -58.5 | -72 | -172.9 | 0 | 0 | 114.2 | I3 I61 V68 R273 | I3-E65 HydrophobicContact CD1-CB 3.57Å; I3-E65 VanDerWaalsContact CD1-CD 3.43Å; I3-E65 HydrophobicContact CD1-CG 3.63Å; I3-E65 VanDerWaalsContact CD1-OE2 3.26Å; I3-E65 WeakPolarHBondContact CD1-OE2 3.13Å; I61-E65 HydrophobicContact CG2-CB 4.41Å; I61-E65 HydrophobicContact CG2-CG 4.2Å; I61-E65 WeakPolarHBondContact O-CB 3.33Å; I61-E65 PolarHBondContact O-N 3.05Å; E65-V68 HydrophobicContact CB-CG2 3.82Å; E65-R273 IonicContact OE1-CZ 2.67Å; E65-R273 IonicContact OE1-NH1 3.79Å; E65-R273 IonicContact OE1-NH2 3.45Å; E65-R273 PolarHBondContact OE1-NH2 3.32Å | ||
| 66 | K | 91 | Very high | 94.6 | Very high | 173 Ų | 173 | 39.7 Ų | 39.7 | 75% | 0.752 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -106.8 | 158.2 | 171 | -65.9 | -175.3 | -179.4 | -177.7 | 0 | 111 | V68 | K66-V68 PolarHBondContact O-N 3.19Š|
| 67 | N | 93.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 57 | 49.6 | 175.1 | -54.8 | -18.5 | 0 | 0 | 0 | 111.8 | M1 L2 I3 I152 D153 | M1-N67 VanDerWaalsContact O-CB 3.3Å; M1-N67 WeakPolarHBondContact O-CB 3.36Å; M1-N67 PolarHBondContact O-ND2 2.73Å; L2-N67 HydrophobicContact CD1-CB 4.45Å; L2-N67 WeakPolarHBondContact CD1-O 3.39Å; I3-N67 PolarHBondContact N-O 3.05Å; N67-I152 HydrophobicContact CB-CG2 3.56Å; N67-D153 WeakPolarHBondContact ND2-CB 3.21Å; N67-D153 PolarHBondContact ND2-OD2 3.44Å; N67-D153 VanDerWaalsContact ND2-OD2 3.1Å |
| 68 | V | 95.2 | Very high | 93.2 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.8 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | I3 V5 I61 R62 E65 K66 | I3-V68 HydrophobicContact CB-CG2 4.42Å; I3-V68 HydrophobicContact CG2-CG2 4.46Å; I3-V68 CarbonylContact O-C 3.55Å; I3-V68 WeakPolarHBondContact O-CA 3.26Å; V5-V68 HydrophobicContact CG2-CG1 3.76Å; I61-V68 HydrophobicContact CG2-CG1 4.2Å; I61-V68 HydrophobicContact CG2-CG2 4.1Å; R62-V68 HydrophobicContact CG-CB 4.33Å; R62-V68 HydrophobicContact CG-CG1 4.15Å; E65-V68 HydrophobicContact CB-CG2 3.82Å; K66-V68 PolarHBondContact O-N 3.19Å |
| 69 | L | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.6 | 164 | -73.8 | 173.8 | 0 | 0 | 0 | 108.8 | L2 I3 L4 V5 L71 D101 K150 I152 I159 I201 | L2-L69 HydrophobicContact CD1-CD1 4.16Å; L2-L69 HydrophobicContact CD1-CG 4.34Å; I3-L69 PolarHBondContact O-N 2.94Å; L4-L69 HydrophobicContact CD2-CB 4.03Å; L4-L69 HydrophobicContact CD2-CD1 3.91Å; L4-L69 HydrophobicContact CD2-CG 4.48Å; V5-L69 PolarHBondContact N-O 3.38Å; L69-L71 HydrophobicContact CB-CD1 4.19Å; L69-L71 HydrophobicContact CB-CD2 4.29Å; L69-L71 HydrophobicContact CB-CG 4.08Å; L69-D101 WeakPolarHBondContact CA-OD2 3.24Å; L69-D101 HydrophobicContact CD2-CB 3.8Å; L69-K150 HydrophobicContact CD2-CD 4.34Å; L69-I152 HydrophobicContact CD1-CD1 3.79Å; L69-I152 HydrophobicContact CD2-CD1 3.83Å; L69-I152 HydrophobicContact CG-CD1 3.82Å; L69-I159 HydrophobicContact CD1-CD1 4.43Å; L69-I201 HydrophobicContact CD1-CD1 3.92Å |
| 70 | L | 96.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.2 | 169.4 | -178.5 | 65.8 | 0 | 0 | 0 | 110.1 | V5 V58 L98 Y100 D101 | V5-L70 HydrophobicContact CB-CD1 3.84Å; V5-L70 HydrophobicContact CG1-CD1 3.53Å; V5-L70 CarbonylContact O-C 3.56Å; V5-L70 WeakPolarHBondContact O-CA 3.26Å; V58-L70 HydrophobicContact CG1-CD2 3.99Å; V58-L70 HydrophobicContact CG2-CD1 3.85Å; V58-L70 HydrophobicContact CG2-CD2 4.21Å; L70-L98 HydrophobicContact CD2-CB 4.12Å; L70-L98 VanDerWaalsContact CD2-O 3.32Å; L70-L98 WeakPolarHBondContact CD2-O 3.21Å; L70-Y100 HydrophobicContact CB-CD1 4.49Å; L70-Y100 HydrophobicContact CD1-CD1 4.44Å; L70-Y100 HydrophobicContact CD1-CE1 4.1Å; L70-Y100 HydrophobicContact CD2-CD1 3.99Å; L70-Y100 HydrophobicContact CD2-CD2 4.2Å; L70-Y100 HydrophobicContact CD2-CE1 4.1Å; L70-Y100 HydrophobicContact CD2-CE2 4.34Å; L70-Y100 HydrophobicContact CD2-CG 4.03Å; L70-Y100 HydrophobicContact CG-CD1 3.59Å; L70-Y100 HydrophobicContact CG-CE1 3.72Å; L70-Y100 HydrophobicContact CG-CG 4.1Å; L70-D101 PolarHBondContact N-OD2 2.9Å; L70-D101 WeakPolarHBondContact O-CB 3.38Å; L70-D101 PolarHBondContact O-N 3.31Å |
| 71 | L | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.6 | -167.2 | -59.4 | 172.2 | 0 | 0 | 0 | 111.2 | L4 V5 A6 T7 L69 D101 A102 I159 I201 L203 V225 | L4-L71 HydrophobicContact CD1-CD1 4.34Å; L4-L71 HydrophobicContact CD2-CD1 4.03Å; V5-L71 PolarHBondContact O-N 2.82Å; A6-L71 CarbonylContact C-O 3.55Å; A6-L71 VanDerWaalsContact CA-O 3.3Å; A6-L71 WeakPolarHBondContact CA-O 3.13Å; T7-L71 PolarHBondContact N-O 3.45Å; L69-L71 HydrophobicContact CB-CD1 4.19Å; L69-L71 HydrophobicContact CB-CD2 4.29Å; L69-L71 HydrophobicContact CB-CG 4.08Å; L71-D101 HydrophobicContact CD2-CB 4.22Å; L71-A102 HydrophobicContact CD2-CB 4.04Å; L71-I159 HydrophobicContact CD2-CD1 3.94Å; L71-I201 HydrophobicContact CD1-CG2 4.31Å; L71-L203 HydrophobicContact CB-CD2 3.8Å; L71-L203 HydrophobicContact CD1-CD2 4Å; L71-L203 HydrophobicContact CD2-CD2 4.3Å; L71-L203 HydrophobicContact CG-CD2 4.24Å; L71-V225 HydrophobicContact CD1-CG2 4.35Å |
| 72 | D | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.7 | 177.7 | -166.6 | -100.5 | 0 | 0 | 0 | 112.9 | T7 G74 Q76 M95 Y100 A102 M103 T104 | T7-D72 WeakPolarHBondContact CB-OD2 3.43Å; T7-D72 PolarHBondContact OG1-OD2 3.37Å; D72-G74 PolarHBondContact OD1-N 2.73Å; D72-Q76 PolarHBondContact OD1-NE2 3.45Å; D72-Q76 PolarHBondContact OD2-NE2 2.79Å; D72-M95 HydrophobicContact CB-CE 4.13Å; D72-Y100 HydrophobicContact CB-CD1 3.81Å; D72-Y100 HydrophobicContact CB-CE1 3.6Å; D72-A102 PolarHBondContact N-O 3.22Å; D72-M103 HydrophobicContact CB-CB 3.75Å; D72-M103 WeakPolarHBondContact O-CA 3.27Å; D72-T104 PolarHBondContact O-N 3.28Å |
| 73 | A | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -93.4 | 1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | T7 T104 H205 | T7-A73 PolarHBondContact O-N 3.47Å; A73-T104 WeakPolarHBondContact O-CG2 3.3Å; A73-H205 WeakPolarHBondContact O-CB 3.42Å; A73-H205 PolarHBondContact O-ND1 2.98Å | ||
| 74 | G | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 87.3 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S9 D72 T104 E109 | S9-G74 WeakPolarHBondContact CB-O 3.5Å; D72-G74 PolarHBondContact OD1-N 2.73Å; G74-T104 WeakPolarHBondContact CA-O 3.37Å; G74-E109 WeakPolarHBondContact CA-OE2 3.05Å |
| 75 | D | 90.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | trans | 55 | 56.8 | -157.6 | -69.2 | -15.9 | 0 | 0 | 0 | 112.3 | S9 P10 N107 H108 E109 H205 | S9-D75 PolarHBondContact OG-OD2 3.29Å; P10-D75 HydrophobicContact CG-CB 4.44Å; D75-N107 PolarHBondContact OD1-N 3.4Å; D75-H108 WeakPolarHBondContact OD1-CB 3.2Å; D75-H108 IonicContact OD1-CD2 2.91Å; D75-H108 PolarHBondContact OD1-CD2 3.02Å; D75-H108 IonicContact OD1-CG 2.79Å; D75-H108 PolarHBondContact OD1-N 3Å; D75-H108 IonicContact OD2-CD2 3.17Å; D75-E109 PolarHBondContact N-OE2 2.84Å; D75-H205 IonicContact OD1-CE1 3.22Å; D75-H205 PolarHBondContact OD1-CE1 3.38Å; D75-H205 IonicContact OD1-NE2 2.86Å; D75-H205 PolarHBondContact OD1-NE2 3.26Å; D75-H205 IonicContact OD2-CE1 2.8Å; D75-H205 PolarHBondContact OD2-CE1 3.01Å; D75-H205 IonicContact OD2-NE2 3.92Å; D75-H205 PolarHBondContact OD2-NE2 3.44Å; D75-H205 VanDerWaalsContact OD2-NE2 3.12Å | ||
| 76 | Q | 87.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | trans | -79.4 | -27.1 | 162.9 | -62.4 | -59.9 | -42.7 | 0 | 0 | 110.9 | D72 I91 M95 M103 E109 F120 | D72-Q76 PolarHBondContact OD1-NE2 3.45Å; D72-Q76 PolarHBondContact OD2-NE2 2.79Å; Q76-I91 HydrophobicContact CB-CG2 3.74Å; Q76-I91 HydrophobicContact CG-CG2 4.43Å; Q76-I91 WeakPolarHBondContact O-CD1 3.33Å; Q76-M95 HydrophobicContact CG-CE 3.72Å; Q76-M95 HydrophobicContact CG-SD 3.77Å; Q76-M103 HydrophobicContact CG-CE 4Å; Q76-E109 PolarHBondContact N-OE1 3.32Å; Q76-F120 HydrophobicContact CB-CZ 4.33Å | ||
| 77 | F | 86.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -76.9 | 155.5 | 177.1 | -75.2 | 22.2 | 0 | 0 | 0 | 112.4 | Y83 H88 H108 E109 F120 | F77-Y83 HydrophobicContact CB-CD2 4.14Å; F77-Y83 HydrophobicContact CB-CE1 4.42Å; F77-Y83 HydrophobicContact CB-CE2 3.62Å; F77-Y83 HydrophobicContact CD1-CD2 4.22Å; F77-Y83 AromaticContact CD1-CE2 3.54Å; F77-Y83 HydrophobicContact CD1-CE2 3.54Å; F77-Y83 AromaticContact CD2-CE2 3.65Å; F77-Y83 HydrophobicContact CD2-CE2 3.65Å; F77-Y83 AromaticContact CD2-CZ 3.56Å; F77-Y83 WeakPolarHBondContact CD2-OH 3.28Å; F77-Y83 HydrophobicContact CE1-CE2 4.09Å; F77-Y83 HydrophobicContact CE2-CE2 4.2Å; F77-Y83 WeakPolarHBondContact CE2-OH 3.48Å; F77-Y83 HydrophobicContact CG-CD2 4.15Å; F77-Y83 AromaticContact CG-CE2 3.29Å; F77-Y83 HydrophobicContact CG-CE2 3.29Å; F77-Y83 AromaticContact CG-CZ 3.61Å; F77-Y83 HydrophobicContact CZ-CE2 4.39Å; F77-H88 HydrophobicContact CE1-CB 3.68Å; F77-H88 HydrophobicContact CZ-CB 4Å; F77-H108 HydrophobicContact CB-CB 4.19Å; F77-H108 WeakPolarHBondContact CB-O 3.28Å; F77-H108 VanDerWaalsContact CD2-O 3.31Å; F77-H108 WeakPolarHBondContact CD2-O 3.24Å; F77-E109 HydrophobicContact CD1-CG 4.29Å; F77-E109 VanDerWaalsContact CD2-CA 3.48Å; F77-E109 WeakPolarHBondContact CD2-O 3.16Å; F77-E109 HydrophobicContact CE1-CG 4.46Å; F77-E109 VanDerWaalsContact CE2-O 3.24Å; F77-E109 WeakPolarHBondContact CE2-O 3.04Å; F77-E109 HydrophobicContact CG-CG 4.37Å; F77-E109 PolarHBondContact N-OE1 3.4Å; F77-F120 HydrophobicContact CE1-CB 3.86Å; F77-F120 AromaticContact CE1-CD1 3.54Å; F77-F120 HydrophobicContact CE1-CD1 3.54Å; F77-F120 HydrophobicContact CE1-CD2 4.08Å; F77-F120 HydrophobicContact CE1-CE1 4.01Å; F77-F120 HydrophobicContact CE1-CE2 4.49Å; F77-F120 AromaticContact CE1-CG 3.57Å; F77-F120 HydrophobicContact CE1-CG 3.57Å; F77-F120 HydrophobicContact CE1-CZ 4.46Å; F77-F120 HydrophobicContact CZ-CB 3.65Å; F77-F120 AromaticContact CZ-CD1 3.91Å; F77-F120 HydrophobicContact CZ-CD1 3.91Å; F77-F120 AromaticContact CZ-CG 3.88Å; F77-F120 HydrophobicContact CZ-CG 3.88Å |
| 78 | Q | 77.1 | Confident | 86.6 | Confident | 10 Ų | 10 | 13.5 Ų | 13.5 | 5% | 0.047 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 55.2 | -167.2 | 179.8 | -68.3 | -67.2 | 4 | 0 | 0 | 115.4 | S25 T80 Y83 D111 | S25-Q78 PolarHBondContact OG-O 3.34Å; Q78-T80 PolarHBondContact O-N 2.75Å; Q78-Y83 HydrophobicContact CB-CD1 4.33Å; Q78-Y83 HydrophobicContact CG-CD1 3.89Å; Q78-Y83 HydrophobicContact CG-CE1 3.81Å; Q78-D111 HydrophobicContact CG-CB 4.3Å; Q78-D111 VanDerWaalsContact CG-OD2 3.32Å; Q78-D111 WeakPolarHBondContact CG-OD2 3.35Å |
| 79 | G | 69.6 | Low | 86.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 76.1 | -16.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H23 | H23-G79 WeakPolarHBondContact CB-O 3.13Å; H23-G79 PolarHBondContact CD2-O 2.69Å |
| 80 | T | 71.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 16.3 Ų | 16.3 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -137.2 | 154.6 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | H23 S25 N26 Q78 W82 Y83 I84 | H23-T80 HydrophobicContact CB-CG2 3.57Å; S25-T80 WeakPolarHBondContact CB-OG1 3.32Å; S25-T80 VanDerWaalsContact OG-CG2 3.25Å; S25-T80 WeakPolarHBondContact OG-CG2 3.12Å; S25-T80 PolarHBondContact OG-OG1 2.78Å; N26-T80 VanDerWaalsContact OD1-CG2 3.31Å; N26-T80 WeakPolarHBondContact OD1-CG2 3.41Å; Q78-T80 PolarHBondContact O-N 2.75Å; T80-W82 PolarHBondContact O-N 3.25Å; T80-W82 VanDerWaalsContact O-N 3.14Å; T80-Y83 PolarHBondContact O-N 2.84Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; T80-I84 WeakPolarHBondContact O-CG1 3.42Å; T80-I84 PolarHBondContact O-N 3.19Å; T80-I84 VanDerWaalsContact O-N 3.16Å |
| 81 | L | 75.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 16.3 Ų | 16.3 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.3 | -26.9 | 169.6 | -173.4 | 65.7 | 0 | 0 | 0 | 112.8 | I84 V85 L315 F318 Q396 Y399 | L81-I84 PolarHBondContact O-N 2.88Å; L81-V85 HydrophobicContact CD1-CG2 3.69Å; L81-V85 HydrophobicContact CG-CG2 4.03Å; L81-V85 WeakPolarHBondContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 3.47Å; L81-L315 HydrophobicContact CB-CD1 4.47Å; L81-L315 HydrophobicContact CD2-CB 4.06Å; L81-L315 HydrophobicContact CD2-CD1 4.06Å; L81-L315 HydrophobicContact CD2-CD2 3.92Å; L81-L315 HydrophobicContact CD2-CG 4.22Å; L81-L315 HydrophobicContact CG-CD1 4.2Å; L81-L315 HydrophobicContact CG-CD2 3.88Å; L81-F318 HydrophobicContact CD1-CD1 3.61Å; L81-F318 HydrophobicContact CD1-CD2 4.43Å; L81-F318 HydrophobicContact CD1-CE1 3.8Å; L81-F318 HydrophobicContact CD1-CG 3.95Å; L81-F318 HydrophobicContact CD1-CZ 4.3Å; L81-F318 HydrophobicContact CD2-CB 3.47Å; L81-F318 VanDerWaalsContact CD2-CB 3.47Å; L81-F318 HydrophobicContact CD2-CD1 4.12Å; L81-F318 HydrophobicContact CD2-CD2 4.01Å; L81-F318 HydrophobicContact CD2-CG 3.62Å; L81-F318 HydrophobicContact CG-CD1 4.49Å; L81-F318 HydrophobicContact CG-CG 4.37Å; L81-Q396 HydrophobicContact CD2-CG 4.34Å; L81-Y399 HydrophobicContact CD1-CD2 4.16Å; L81-Y399 HydrophobicContact CD1-CG 4.28Å |
| 82 | W | 78 | Confident | 85.3 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.011 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 173.6 | -78 | 67.3 | 0 | 0 | 0 | 112.3 | C27 T80 F86 P90 V308 Y311 E312 L315 | C27-W82 HydrophobicContact CB-CD2 4.08Å; C27-W82 HydrophobicContact CB-CE3 3.85Å; C27-W82 HydrophobicContact CB-CH2 3.51Å; C27-W82 HydrophobicContact CB-CZ2 3.77Å; C27-W82 HydrophobicContact CB-CZ3 3.56Å; T80-W82 PolarHBondContact O-N 3.25Å; T80-W82 VanDerWaalsContact O-N 3.14Å; W82-F86 HydrophobicContact CE3-CD2 4.41Å; W82-F86 WeakPolarHBondContact O-CA 3.04Å; W82-F86 WeakPolarHBondContact O-CB 3.44Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 PolarHBondContact O-N 2.9Å; W82-P90 HydrophobicContact CE3-CB 3.71Å; W82-P90 HydrophobicContact CE3-CG 3.82Å; W82-P90 HydrophobicContact CZ3-CB 3.69Å; W82-P90 HydrophobicContact CZ3-CG 4.28Å; W82-V308 HydrophobicContact CH2-CB 4.3Å; W82-V308 HydrophobicContact CH2-CG1 4.03Å; W82-V308 HydrophobicContact CH2-CG2 4.28Å; W82-V308 HydrophobicContact CZ2-CG1 3.95Å; W82-Y311 HydrophobicContact CE3-CG 4.43Å; W82-Y311 AromaticContact CH2-CD2 3.93Å; W82-Y311 HydrophobicContact CH2-CD2 3.93Å; W82-Y311 AromaticContact CH2-CG 3.95Å; W82-Y311 HydrophobicContact CH2-CG 3.95Å; W82-Y311 AromaticContact CZ3-CD2 3.65Å; W82-Y311 HydrophobicContact CZ3-CD2 3.65Å; W82-Y311 AromaticContact CZ3-CG 3.68Å; W82-Y311 HydrophobicContact CZ3-CG 3.68Å; W82-E312 HydrophobicContact CZ2-CG 4.14Å; W82-L315 HydrophobicContact CG-CD1 4.27Å |
| 83 | Y | 81.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 176.2 | -174.3 | -93.3 | 0 | 0 | 0 | 111.7 | F77 Q78 T80 V85 K87 I91 D112 | F77-Y83 HydrophobicContact CB-CD2 4.14Å; F77-Y83 HydrophobicContact CB-CE1 4.42Å; F77-Y83 HydrophobicContact CB-CE2 3.62Å; F77-Y83 HydrophobicContact CD1-CD2 4.22Å; F77-Y83 AromaticContact CD1-CE2 3.54Å; F77-Y83 HydrophobicContact CD1-CE2 3.54Å; F77-Y83 AromaticContact CD2-CE2 3.65Å; F77-Y83 HydrophobicContact CD2-CE2 3.65Å; F77-Y83 AromaticContact CD2-CZ 3.56Å; F77-Y83 WeakPolarHBondContact CD2-OH 3.28Å; F77-Y83 HydrophobicContact CE1-CE2 4.09Å; F77-Y83 HydrophobicContact CE2-CE2 4.2Å; F77-Y83 WeakPolarHBondContact CE2-OH 3.48Å; F77-Y83 HydrophobicContact CG-CD2 4.15Å; F77-Y83 AromaticContact CG-CE2 3.29Å; F77-Y83 HydrophobicContact CG-CE2 3.29Å; F77-Y83 AromaticContact CG-CZ 3.61Å; F77-Y83 HydrophobicContact CZ-CE2 4.39Å; Q78-Y83 HydrophobicContact CB-CD1 4.33Å; Q78-Y83 HydrophobicContact CG-CD1 3.89Å; Q78-Y83 HydrophobicContact CG-CE1 3.81Å; T80-Y83 PolarHBondContact O-N 2.84Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-V85 VanDerWaalsContact C-N 3.31Å; Y83-V85 PolarHBondContact O-N 2.99Å; Y83-K87 HydrophobicContact CD1-CD 4.38Å; Y83-K87 HydrophobicContact CE1-CD 3.95Å; Y83-K87 HydrophobicContact CE2-CD 4.49Å; Y83-K87 WeakPolarHBondContact O-CA 3.49Å; Y83-K87 WeakPolarHBondContact O-CD 3.11Å; Y83-K87 PolarHBondContact O-N 2.85Å; Y83-I91 HydrophobicContact CD2-CD1 3.81Å; Y83-D112 PolarHBondContact OH-OD2 3.08Å; Y83-D112 VanDerWaalsContact OH-OD2 3.06Å |
| 84 | I | 79.5 | Confident | 84.8 | Confident | 39 Ų | 39 | 20 Ų | 20 | 20% | 0.2 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 179 | -62.7 | 168.1 | 0 | 0 | 0 | 111.5 | T80 L81 Y399 P403 | T80-I84 WeakPolarHBondContact O-CG1 3.42Å; T80-I84 PolarHBondContact O-N 3.19Å; T80-I84 VanDerWaalsContact O-N 3.16Å; L81-I84 PolarHBondContact O-N 2.88Å; I84-Y399 HydrophobicContact CD1-CD1 4.01Å; I84-Y399 HydrophobicContact CD1-CG 4.25Å; I84-Y399 HydrophobicContact CG2-CD1 4.39Å; I84-P403 HydrophobicContact CD1-CB 3.69Å; I84-P403 HydrophobicContact CG1-CB 4.3Å |
| 85 | V | 83.7 | Confident | 84.7 | Confident | 57 Ų | 57 | 20.1 Ų | 20.1 | 35% | 0.345 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -92.5 | -38.3 | -174.7 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | L81 Y83 L315 F318 | L81-V85 HydrophobicContact CD1-CG2 3.69Å; L81-V85 HydrophobicContact CG-CG2 4.03Å; L81-V85 WeakPolarHBondContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 3.47Å; Y83-V85 VanDerWaalsContact C-N 3.31Å; Y83-V85 PolarHBondContact O-N 2.99Å; V85-L315 HydrophobicContact CB-CD2 3.93Å; V85-L315 HydrophobicContact CG1-CD2 4.05Å; V85-L315 HydrophobicContact CG2-CD2 3.83Å; V85-F318 HydrophobicContact CG2-CE1 4.39Å; V85-F318 HydrophobicContact CG2-CE2 3.94Å; V85-F318 HydrophobicContact CG2-CZ 3.73Å |
| 86 | F | 87.8 | Confident | 84.9 | Confident | 30 Ų | 30 | 21.5 Ų | 21.5 | 13% | 0.132 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -114.1 | -1.7 | -173 | -46.3 | -61.8 | 0 | 0 | 0 | 114.6 | W82 E89 P90 Y311 Q314 L315 | W82-F86 HydrophobicContact CE3-CD2 4.41Å; W82-F86 WeakPolarHBondContact O-CA 3.04Å; W82-F86 WeakPolarHBondContact O-CB 3.44Å; W82-F86 WeakPolarHBondContact O-CD2 3.41Å; W82-F86 PolarHBondContact O-N 2.9Å; F86-E89 PolarHBondContact O-N 2.87Å; F86-P90 HydrophobicContact CB-CG 3.69Å; F86-P90 HydrophobicContact CD2-CG 4.18Å; F86-P90 HydrophobicContact CG-CG 4.3Å; F86-Y311 HydrophobicContact CD1-CD1 4.06Å; F86-Y311 HydrophobicContact CD1-CE1 4.46Å; F86-Y311 AromaticContact CD2-CD1 3.82Å; F86-Y311 HydrophobicContact CD2-CD1 3.82Å; F86-Y311 HydrophobicContact CD2-CG 4.49Å; F86-Y311 HydrophobicContact CE1-CD1 4.05Å; F86-Y311 AromaticContact CE2-CD1 3.8Å; F86-Y311 HydrophobicContact CE2-CD1 3.8Å; F86-Y311 HydrophobicContact CE2-CG 4.26Å; F86-Y311 AromaticContact CG-CD1 3.96Å; F86-Y311 HydrophobicContact CG-CD1 3.96Å; F86-Y311 HydrophobicContact CG-CE1 4.35Å; F86-Y311 AromaticContact CZ-CD1 3.94Å; F86-Y311 HydrophobicContact CZ-CD1 3.94Å; F86-Q314 HydrophobicContact CE1-CB 4.03Å; F86-Q314 HydrophobicContact CZ-CB 3.83Å; F86-L315 HydrophobicContact CE2-CD1 4.04Å; F86-L315 HydrophobicContact CE2-CD2 3.62Å; F86-L315 HydrophobicContact CE2-CG 3.82Å; F86-L315 HydrophobicContact CZ-CD2 3.6Å; F86-L315 HydrophobicContact CZ-CG 3.94Å |
| 87 | K | 89.6 | Confident | 85.1 | Confident | 73 Ų | 73 | 23.1 Ų | 23.1 | 32% | 0.317 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -144.4 | -173.3 | -62.5 | -66.3 | -169.4 | 169.9 | 0 | 111.1 | Y83 E89 D112 | Y83-K87 HydrophobicContact CD1-CD 4.38Å; Y83-K87 HydrophobicContact CE1-CD 3.95Å; Y83-K87 HydrophobicContact CE2-CD 4.49Å; Y83-K87 WeakPolarHBondContact O-CA 3.49Å; Y83-K87 WeakPolarHBondContact O-CD 3.11Å; Y83-K87 PolarHBondContact O-N 2.85Å; K87-E89 VanDerWaalsContact C-N 3.26Å; K87-E89 PolarHBondContact O-N 2.7Å; K87-D112 VanDerWaalsContact CD-OD2 3.22Å; K87-D112 WeakPolarHBondContact CD-OD2 3.41Å; K87-D112 WeakPolarHBondContact CE-OD2 3.26Å; K87-D112 IonicContact NZ-OD1 3.83Å; K87-D112 PolarHBondContact NZ-OD1 3.43Å; K87-D112 IonicContact NZ-OD2 3.64Å; K87-D112 PolarHBondContact NZ-OD2 2.81Å |
| 88 | H | 89.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 23.2 Ų | 23.2 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.2 | -174.6 | 60.4 | 41.5 | 0 | 0 | 0 | 115.3 | F77 S92 A116 S119 F120 | F77-H88 HydrophobicContact CE1-CB 3.68Å; F77-H88 HydrophobicContact CZ-CB 4Å; H88-S92 WeakPolarHBondContact O-CB 3.25Å; H88-S92 PolarHBondContact O-N 2.87Å; H88-S92 PolarHBondContact O-OG 2.85Å; H88-A116 PolarHBondContact CD2-O 3.49Å; H88-S119 PolarHBondContact CE1-OG 3.15Å; H88-S119 VanDerWaalsContact CE1-OG 3.24Å; H88-S119 WeakPolarHBondContact NE2-CB 3.47Å; H88-S119 PolarHBondContact NE2-OG 2.94Å; H88-F120 HydrophobicContact CB-CB 3.9Å; H88-F120 HydrophobicContact CB-CD2 3.78Å; H88-F120 HydrophobicContact CB-CG 4.11Å |
| 89 | E | 91.1 | Very high | 86.2 | Confident | 87 Ų | 87 | 29.2 Ų | 29.2 | 41% | 0.407 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.4 | -63.2 | -171.9 | -67.6 | -66.4 | 169.3 | 0 | 0 | 113.4 | F86 K87 I91 S92 H93 K123 | F86-E89 PolarHBondContact O-N 2.87Å; K87-E89 VanDerWaalsContact C-N 3.26Å; K87-E89 PolarHBondContact O-N 2.7Å; E89-I91 PolarHBondContact O-N 2.85Å; E89-S92 PolarHBondContact O-N 2.75Å; E89-S92 PolarHBondContact O-OG 2.91Å; E89-H93 PolarHBondContact O-N 2.84Å; E89-K123 VanDerWaalsContact OE1-CE 3.23Å; E89-K123 WeakPolarHBondContact OE1-CE 3.27Å; E89-K123 IonicContact OE1-NZ 3.26Å; E89-K123 PolarHBondContact OE1-NZ 3.38Å; E89-K123 IonicContact OE2-NZ 2.68Å; E89-K123 PolarHBondContact OE2-NZ 3.42Å |
| 90 | P | 87 | Confident | 87.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 178.8 | 23.1 | -33.5 | 0 | 0 | 0 | 112.7 | W82 F86 H93 V94 Y311 | W82-P90 HydrophobicContact CE3-CB 3.71Å; W82-P90 HydrophobicContact CE3-CG 3.82Å; W82-P90 HydrophobicContact CZ3-CB 3.69Å; W82-P90 HydrophobicContact CZ3-CG 4.28Å; F86-P90 HydrophobicContact CB-CG 3.69Å; F86-P90 HydrophobicContact CD2-CG 4.18Å; F86-P90 HydrophobicContact CG-CG 4.3Å; P90-H93 WeakPolarHBondContact O-CB 3.47Å; P90-H93 PolarHBondContact O-N 2.92Å; P90-V94 WeakPolarHBondContact O-CG2 3.31Å; P90-V94 PolarHBondContact O-N 2.95Å; P90-Y311 HydrophobicContact CB-CD1 4.28Å; P90-Y311 HydrophobicContact CB-CD2 4.16Å; P90-Y311 HydrophobicContact CB-CE1 3.95Å; P90-Y311 HydrophobicContact CB-CE2 3.85Å; P90-Y311 HydrophobicContact CB-CG 4.4Å; P90-Y311 HydrophobicContact CG-CE1 4.28Å |
| 91 | I | 87.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -53.3 | 179.6 | -70.3 | 158.2 | 0 | 0 | 0 | 110.1 | Q76 Y83 E89 H93 V94 M95 F120 | Q76-I91 HydrophobicContact CB-CG2 3.74Å; Q76-I91 HydrophobicContact CG-CG2 4.43Å; Q76-I91 WeakPolarHBondContact O-CD1 3.33Å; Y83-I91 HydrophobicContact CD2-CD1 3.81Å; E89-I91 PolarHBondContact O-N 2.85Å; I91-H93 VanDerWaalsContact C-N 3.25Å; I91-H93 PolarHBondContact O-N 3.29Å; I91-V94 PolarHBondContact O-N 3.45Å; I91-M95 HydrophobicContact CG2-SD 4.08Å; I91-M95 WeakPolarHBondContact O-CB 3.49Å; I91-M95 VanDerWaalsContact O-CG 3.29Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 2.81Å; I91-F120 HydrophobicContact CG2-CE2 3.92Å; I91-F120 HydrophobicContact CG2-CZ 4.28Å |
| 92 | S | 92.5 | Very high | 89.6 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -37.2 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | H88 E89 N96 | H88-S92 WeakPolarHBondContact O-CB 3.25Å; H88-S92 PolarHBondContact O-N 2.87Å; H88-S92 PolarHBondContact O-OG 2.85Å; E89-S92 PolarHBondContact O-N 2.75Å; E89-S92 PolarHBondContact O-OG 2.91Å; S92-N96 WeakPolarHBondContact O-CB 3.45Å; S92-N96 PolarHBondContact O-N 3.32Å; S92-N96 VanDerWaalsContact O-N 3.1Å; S92-N96 PolarHBondContact O-ND2 3.47Å |
| 93 | H | 91.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 30.2 Ų | 30.2 | 30% | 0.301 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.7 | -52.4 | 176.6 | -179.9 | 67.2 | 0 | 0 | 0 | 112.4 | E89 P90 I91 M95 N96 L97 D307 | E89-H93 PolarHBondContact O-N 2.84Å; P90-H93 WeakPolarHBondContact O-CB 3.47Å; P90-H93 PolarHBondContact O-N 2.92Å; I91-H93 VanDerWaalsContact C-N 3.25Å; I91-H93 PolarHBondContact O-N 3.29Å; H93-M95 PolarHBondContact O-N 2.91Å; H93-N96 WeakPolarHBondContact O-CB 3.3Å; H93-N96 PolarHBondContact O-N 3.17Å; H93-N96 VanDerWaalsContact O-N 3.16Å; H93-L97 PolarHBondContact O-N 2.69Å; H93-D307 IonicContact CD2-OD2 3.68Å; H93-D307 IonicContact CE1-OD2 3.49Å; H93-D307 IonicContact NE2-OD2 3.94Å; H93-D307 PolarHBondContact NE2-OD2 3.11Å |
| 94 | V | 89 | Confident | 91.2 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71 | -31.1 | -177.7 | -58 | 0 | 0 | 0 | 0 | 113 | V51 P90 I91 N96 L97 L98 | V51-V94 HydrophobicContact CG1-CB 3.98Å; V51-V94 HydrophobicContact CG1-CG1 3.92Å; V51-V94 HydrophobicContact CG1-CG2 4.3Å; V51-V94 HydrophobicContact CG2-CB 3.99Å; V51-V94 HydrophobicContact CG2-CG2 3.99Å; P90-V94 WeakPolarHBondContact O-CG2 3.31Å; P90-V94 PolarHBondContact O-N 2.95Å; I91-V94 PolarHBondContact O-N 3.45Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-L97 PolarHBondContact O-N 3.49Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.22Å |
| 95 | M | 90.8 | Very high | 92 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 170.7 | -68.3 | -177 | 96.1 | 0 | 0 | 111.9 | D72 Q76 I91 H93 L98 R99 Y100 M103 F120 F126 | D72-M95 HydrophobicContact CB-CE 4.13Å; Q76-M95 HydrophobicContact CG-CE 3.72Å; Q76-M95 HydrophobicContact CG-SD 3.77Å; I91-M95 HydrophobicContact CG2-SD 4.08Å; I91-M95 WeakPolarHBondContact O-CB 3.49Å; I91-M95 VanDerWaalsContact O-CG 3.29Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 2.81Å; H93-M95 PolarHBondContact O-N 2.91Å; M95-L98 PolarHBondContact O-N 3.04Å; M95-R99 PolarHBondContact O-N 2.8Å; M95-Y100 HydrophobicContact CB-CD2 3.98Å; M95-Y100 HydrophobicContact CB-CE2 4.19Å; M95-Y100 HydrophobicContact CE-CD2 4.2Å; M95-Y100 HydrophobicContact CE-CE2 4.16Å; M95-Y100 HydrophobicContact CG-CD2 4.27Å; M95-Y100 HydrophobicContact CG-CE2 4.06Å; M95-M103 HydrophobicContact CE-CE 4.26Å; M95-M103 HydrophobicContact CE-SD 3.85Å; M95-M103 HydrophobicContact SD-SD 4.5Å; M95-F120 HydrophobicContact SD-CE2 4.31Å; M95-F120 HydrophobicContact SD-CZ 3.91Å; M95-F126 HydrophobicContact CB-CE1 3.89Å; M95-F126 HydrophobicContact CB-CZ 3.87Å; M95-F126 HydrophobicContact CE-CE2 4.44Å; M95-F126 HydrophobicContact CE-CZ 3.96Å; M95-F126 HydrophobicContact SD-CZ 4.26Å |
| 96 | N | 95.3 | Very high | 92.5 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 17% | 0.171 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 173.8 | -78.7 | -33.1 | 0 | 0 | 0 | 112.4 | S92 H93 V94 R99 K123 N125 | S92-N96 WeakPolarHBondContact O-CB 3.45Å; S92-N96 PolarHBondContact O-N 3.32Å; S92-N96 VanDerWaalsContact O-N 3.1Å; S92-N96 PolarHBondContact O-ND2 3.47Å; H93-N96 WeakPolarHBondContact O-CB 3.3Å; H93-N96 PolarHBondContact O-N 3.17Å; H93-N96 VanDerWaalsContact O-N 3.16Å; V94-N96 VanDerWaalsContact C-N 3.32Å; N96-R99 WeakPolarHBondContact O-CG 3.46Å; N96-R99 PolarHBondContact O-N 3.3Å; N96-R99 VanDerWaalsContact O-N 3.11Å; N96-K123 PolarHBondContact ND2-O 2.89Å; N96-N125 PolarHBondContact ND2-ND2 3.08Å; N96-N125 WeakPolarHBondContact OD1-CB 3.35Å; N96-N125 PolarHBondContact OD1-N 3.48Å; N96-N125 PolarHBondContact OD1-ND2 3.09Å; N96-N125 VanDerWaalsContact OD1-ND2 3.16Å |
| 97 | L | 92.5 | Very high | 92.8 | Very high | 41 Ų | 41 | 24.6 Ų | 24.6 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.9 | -66.5 | 179.1 | 0 | 0 | 0 | 112 | M55 H93 V94 R99 V304 | M55-L97 VanDerWaalsContact CE-O 3.27Å; M55-L97 WeakPolarHBondContact CE-O 3.46Å; H93-L97 PolarHBondContact O-N 2.69Å; V94-L97 PolarHBondContact O-N 3.49Å; L97-R99 PolarHBondContact O-N 3.39Å; L97-V304 HydrophobicContact CD1-CG2 4.11Å |
| 98 | L | 91.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -21.1 | 173.4 | -77.9 | 170.5 | 0 | 0 | 0 | 113.4 | V51 R54 M55 V58 R62 L70 V94 M95 Y100 | V51-L98 HydrophobicContact CG2-CD1 3.51Å; V51-L98 HydrophobicContact CG2-CG 4.21Å; R54-L98 HydrophobicContact CB-CD2 4.39Å; R54-L98 HydrophobicContact CG-CD2 4.36Å; M55-L98 HydrophobicContact CB-CD2 3.96Å; M55-L98 HydrophobicContact SD-CD2 4.13Å; V58-L98 HydrophobicContact CG2-CD2 4.35Å; R62-L98 PolarHBondContact NH1-O 3.02Å; L70-L98 HydrophobicContact CD2-CB 4.12Å; L70-L98 VanDerWaalsContact CD2-O 3.32Å; L70-L98 WeakPolarHBondContact CD2-O 3.21Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.22Å; M95-L98 PolarHBondContact O-N 3.04Å; L98-Y100 HydrophobicContact CB-CD2 3.97Å; L98-Y100 HydrophobicContact CB-CE2 3.8Å; L98-Y100 HydrophobicContact CD1-CE2 3.57Å; L98-Y100 HydrophobicContact CG-CE2 4.35Å |
| 99 | R | 94.8 | Very high | 93 | Very high | 136 Ų | 136 | 21 Ų | 21 | 51% | 0.513 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 61.6 | -179 | -58.8 | 167.1 | -72.3 | 161 | -1.1 | 111.3 | N59 R62 M95 N96 L97 | N59-R99 PolarHBondContact OD1-NH2 3.39Å; R62-R99 PolarHBondContact NH2-O 2.61Å; M95-R99 PolarHBondContact O-N 2.8Å; N96-R99 WeakPolarHBondContact O-CG 3.46Å; N96-R99 PolarHBondContact O-N 3.3Å; N96-R99 VanDerWaalsContact O-N 3.11Å; L97-R99 PolarHBondContact O-N 3.39Å |
| 100 | Y | 95.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | trans | -58.3 | 150.7 | 172 | -79.6 | -92.1 | 0 | 0 | 0 | 111.4 | T7 R54 L70 D72 M95 L98 F126 | T7-Y100 WeakPolarHBondContact OG1-CE1 3.33Å; T7-Y100 PolarHBondContact OG1-OH 3.46Å; R54-Y100 PolarHBondContact NH1-OH 3.5Å; R54-Y100 VanDerWaalsContact NH1-OH 3.16Å; L70-Y100 HydrophobicContact CB-CD1 4.49Å; L70-Y100 HydrophobicContact CD1-CD1 4.44Å; L70-Y100 HydrophobicContact CD1-CE1 4.1Å; L70-Y100 HydrophobicContact CD2-CD1 3.99Å; L70-Y100 HydrophobicContact CD2-CD2 4.2Å; L70-Y100 HydrophobicContact CD2-CE1 4.1Å; L70-Y100 HydrophobicContact CD2-CE2 4.34Å; L70-Y100 HydrophobicContact CD2-CG 4.03Å; L70-Y100 HydrophobicContact CG-CD1 3.59Å; L70-Y100 HydrophobicContact CG-CE1 3.72Å; L70-Y100 HydrophobicContact CG-CG 4.1Å; D72-Y100 HydrophobicContact CB-CD1 3.81Å; D72-Y100 HydrophobicContact CB-CE1 3.6Å; M95-Y100 HydrophobicContact CB-CD2 3.98Å; M95-Y100 HydrophobicContact CB-CE2 4.19Å; M95-Y100 HydrophobicContact CE-CD2 4.2Å; M95-Y100 HydrophobicContact CE-CE2 4.16Å; M95-Y100 HydrophobicContact CG-CD2 4.27Å; M95-Y100 HydrophobicContact CG-CE2 4.06Å; L98-Y100 HydrophobicContact CB-CD2 3.97Å; L98-Y100 HydrophobicContact CB-CE2 3.8Å; L98-Y100 HydrophobicContact CD1-CE2 3.57Å; L98-Y100 HydrophobicContact CG-CE2 4.35Å; Y100-F126 HydrophobicContact CD2-CZ 4.36Å; Y100-F126 HydrophobicContact CG-CE2 4.49Å; Y100-F126 HydrophobicContact CG-CZ 4.35Å; Y100-F126 WeakPolarHBondContact O-CB 3.37Å; Y100-F126 WeakPolarHBondContact O-CG 3.47Å | ||
| 101 | D | 96 | Very high | 93.2 | Very high | 30 Ų | 30 | 17.8 Ų | 17.8 | 16% | 0.16 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -88.5 | -33 | 177.6 | -86.4 | -79.1 | 0 | 0 | 0 | 112.8 | R62 L69 L70 L71 K150 | R62-D101 IonicContact NH2-OD2 3.73Å; L69-D101 WeakPolarHBondContact CA-OD2 3.24Å; L69-D101 HydrophobicContact CD2-CB 3.8Å; L70-D101 PolarHBondContact N-OD2 2.9Å; L70-D101 WeakPolarHBondContact O-CB 3.38Å; L70-D101 PolarHBondContact O-N 3.31Å; L71-D101 HydrophobicContact CD2-CB 4.22Å; D101-K150 WeakPolarHBondContact O-CE 3.32Å; D101-K150 PolarHBondContact O-NZ 3.48Å; D101-K150 IonicContact OD1-NZ 3.04Å; D101-K150 PolarHBondContact OD1-NZ 3.12Å |
| 102 | A | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 157.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L71 D72 P127 V129 I148 I159 L203 | L71-A102 HydrophobicContact CD2-CB 4.04Å; D72-A102 PolarHBondContact N-O 3.22Å; A102-P127 WeakPolarHBondContact CA-O 3.25Å; A102-V129 HydrophobicContact CB-CG1 4.34Å; A102-I148 HydrophobicContact CB-CD1 3.46Å; A102-I148 VanDerWaalsContact CB-CD1 3.46Å; A102-I159 HydrophobicContact CB-CD1 4.06Å; A102-I159 HydrophobicContact CB-CG2 4.37Å; A102-L203 HydrophobicContact CB-CD1 4.07Å |
| 103 | M | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160.6 | 163.1 | 71 | -179.8 | -71.3 | 0 | 0 | 111.1 | D72 Q76 M95 F120 L124 F126 P127 V128 V129 | D72-M103 HydrophobicContact CB-CB 3.75Å; D72-M103 WeakPolarHBondContact O-CA 3.27Å; Q76-M103 HydrophobicContact CG-CE 4Å; M95-M103 HydrophobicContact CE-CE 4.26Å; M95-M103 HydrophobicContact CE-SD 3.85Å; M95-M103 HydrophobicContact SD-SD 4.5Å; M103-F120 HydrophobicContact CE-CE1 3.92Å; M103-F120 HydrophobicContact CE-CZ 4.22Å; M103-F120 HydrophobicContact SD-CE1 4.05Å; M103-F120 HydrophobicContact SD-CZ 4.12Å; M103-L124 HydrophobicContact SD-CD1 3.61Å; M103-F126 HydrophobicContact CB-CE2 4.15Å; M103-F126 HydrophobicContact CG-CE2 3.88Å; M103-F126 HydrophobicContact SD-CE2 3.9Å; M103-F126 HydrophobicContact SD-CZ 4.33Å; M103-P127 PolarHBondContact N-O 3.22Å; M103-V128 HydrophobicContact CG-CB 4.26Å; M103-V128 HydrophobicContact CG-CG1 4.08Å; M103-V128 HydrophobicContact CG-CG2 3.75Å; M103-V128 CarbonylContact O-C 3.59Å; M103-V128 WeakPolarHBondContact O-CA 3.37Å; M103-V128 HydrophobicContact SD-CG2 4.03Å; M103-V129 WeakPolarHBondContact O-CG1 3.29Å; M103-V129 PolarHBondContact O-N 3.45Å |
| 104 | T | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -99.2 | 161.4 | 156.5 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | D72 A73 G74 V129 T130 L203 H205 | D72-T104 PolarHBondContact O-N 3.28Å; A73-T104 WeakPolarHBondContact O-CG2 3.3Å; G74-T104 WeakPolarHBondContact CA-O 3.37Å; T104-V129 VanDerWaalsContact CA-O 3.26Å; T104-V129 WeakPolarHBondContact CA-O 3.39Å; T104-V129 VanDerWaalsContact CB-O 3.25Å; T104-V129 WeakPolarHBondContact CB-O 3.36Å; T104-V129 PolarHBondContact OG1-O 3.29Å; T104-T130 PolarHBondContact OG1-OG1 3.41Å; T104-L203 HydrophobicContact CG2-CB 3.77Å; T104-H205 HydrophobicContact CG2-CB 4.26Å | ||
| 105 | V | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -74.4 | 146.8 | 161.5 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | E109 F110 L117 V128 T130 I133 I144 V163 | V105-E109 HydrophobicContact CB-CB 3.93Å; V105-E109 HydrophobicContact CB-CG 4.16Å; V105-E109 HydrophobicContact CG1-CB 4.37Å; V105-E109 HydrophobicContact CG1-CG 4.37Å; V105-F110 HydrophobicContact CB-CE2 4.36Å; V105-F110 HydrophobicContact CG2-CE2 3.68Å; V105-F110 HydrophobicContact CG2-CZ 4.03Å; V105-L117 HydrophobicContact CG1-CD1 3.98Å; V105-L117 HydrophobicContact CG1-CD2 4.28Å; V105-V128 HydrophobicContact CG1-CG1 3.74Å; V105-T130 HydrophobicContact CG2-CG2 4.12Å; V105-T130 PolarHBondContact N-OG1 2.83Å; V105-I133 HydrophobicContact CG2-CD1 4.34Å; V105-I144 HydrophobicContact CG1-CD1 3.82Å; V105-V163 HydrophobicContact CG2-CB 4.38Å; V105-V163 HydrophobicContact CG2-CG1 4.42Å | ||
| 106 | G | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -93.9 | -169.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E109 V163 H205 | G106-E109 PolarHBondContact N-OE2 2.82Å; G106-V163 VanDerWaalsContact C-CG2 3.47Å; G106-H205 WeakPolarHBondContact CA-CD2 3.5Å; G106-H205 WeakPolarHBondContact CA-ND1 3.3Å | ||
| 107 | N | 92.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -74.9 | -35.8 | 175.3 | 63.5 | -98.2 | 0 | 0 | 0 | 111.3 | D75 E109 F110 T164 T167 L170 S171 H228 | D75-N107 PolarHBondContact OD1-N 3.4Å; N107-E109 PolarHBondContact O-N 3.39Å; N107-F110 PolarHBondContact O-N 2.02Å; N107-T164 HydrophobicContact CB-CG2 4.31Å; N107-T167 HydrophobicContact CB-CG2 4.11Å; N107-L170 HydrophobicContact CB-CB 4.41Å; N107-S171 VanDerWaalsContact O-CB 3.29Å; N107-S171 WeakPolarHBondContact O-CB 3.32Å; N107-S171 PolarHBondContact O-OG 3.01Å; N107-S171 VanDerWaalsContact O-OG 3.04Å; N107-H228 PolarHBondContact OD1-CE1 3.02Å; N107-H228 PolarHBondContact OD1-ND1 3.44Å |
| 108 | H | 91 | Very high | 94.6 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 7% | 0.069 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -69.1 | -16.7 | -176.9 | -75.2 | -55.9 | 0 | 0 | 0 | 113.4 | D75 F77 F110 D111 R383 | D75-H108 WeakPolarHBondContact OD1-CB 3.2Å; D75-H108 IonicContact OD1-CD2 2.91Å; D75-H108 PolarHBondContact OD1-CD2 3.02Å; D75-H108 IonicContact OD1-CG 2.79Å; D75-H108 PolarHBondContact OD1-N 3Å; D75-H108 IonicContact OD2-CD2 3.17Å; F77-H108 HydrophobicContact CB-CB 4.19Å; F77-H108 WeakPolarHBondContact CB-O 3.28Å; F77-H108 VanDerWaalsContact CD2-O 3.31Å; F77-H108 WeakPolarHBondContact CD2-O 3.24Å; H108-F110 PolarHBondContact O-N 2.88Å; H108-F110 VanDerWaalsContact O-N 3.14Å; H108-D111 WeakPolarHBondContact CA-OD1 3.49Å; H108-D111 IonicContact CE1-OD2 3.94Å; H108-D111 IonicContact CG-OD2 3.23Å; H108-D111 IonicContact ND1-OD1 2.64Å; H108-D111 PolarHBondContact ND1-OD1 3.35Å; H108-D111 IonicContact ND1-OD2 2.67Å; H108-D111 PolarHBondContact ND1-OD2 2.98Å; H108-D111 WeakPolarHBondContact O-CB 3.32Å; H108-D111 PolarHBondContact O-N 2.99Å; H108-D111 VanDerWaalsContact O-N 3.11Å; H108-R383 PolarHBondContact NE2-NH1 3.19Å |
| 109 | E | 93.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -60.3 | -17.8 | 172.6 | -98.3 | 74.4 | -105 | 0 | 0 | 113.9 | G74 D75 Q76 F77 V105 G106 N107 L117 F120 | G74-E109 WeakPolarHBondContact CA-OE2 3.05Å; D75-E109 PolarHBondContact N-OE2 2.84Å; Q76-E109 PolarHBondContact N-OE1 3.32Å; F77-E109 HydrophobicContact CD1-CG 4.29Å; F77-E109 VanDerWaalsContact CD2-CA 3.48Å; F77-E109 WeakPolarHBondContact CD2-O 3.16Å; F77-E109 HydrophobicContact CE1-CG 4.46Å; F77-E109 VanDerWaalsContact CE2-O 3.24Å; F77-E109 WeakPolarHBondContact CE2-O 3.04Å; F77-E109 HydrophobicContact CG-CG 4.37Å; F77-E109 PolarHBondContact N-OE1 3.4Å; V105-E109 HydrophobicContact CB-CB 3.93Å; V105-E109 HydrophobicContact CB-CG 4.16Å; V105-E109 HydrophobicContact CG1-CB 4.37Å; V105-E109 HydrophobicContact CG1-CG 4.37Å; G106-E109 PolarHBondContact N-OE2 2.82Å; N107-E109 PolarHBondContact O-N 3.39Å; E109-L117 HydrophobicContact CB-CD1 3.87Å; E109-L117 HydrophobicContact CG-CD1 3.94Å; E109-L117 WeakPolarHBondContact O-CB 3.49Å; E109-F120 HydrophobicContact CG-CE1 4.46Å |
| 110 | F | 93.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -101 | 2.4 | 177.1 | -60.6 | -91.4 | 0 | 0 | 0 | 113.8 | V105 N107 H108 D112 G113 L117 I133 T167 S171 N172 P173 V176 F178 | V105-F110 HydrophobicContact CB-CE2 4.36Å; V105-F110 HydrophobicContact CG2-CE2 3.68Å; V105-F110 HydrophobicContact CG2-CZ 4.03Å; N107-F110 PolarHBondContact O-N 2.02Å; H108-F110 PolarHBondContact O-N 2.88Å; H108-F110 VanDerWaalsContact O-N 3.14Å; F110-D112 VanDerWaalsContact C-N 3.26Å; F110-D112 PolarHBondContact O-N 3.42Å; F110-G113 PolarHBondContact O-N 3.39Å; F110-L117 HydrophobicContact CD1-CD2 3.77Å; F110-L117 HydrophobicContact CE1-CD2 3.43Å; F110-L117 VanDerWaalsContact CE1-CD2 3.43Å; F110-L117 HydrophobicContact CE2-CD2 4.22Å; F110-L117 HydrophobicContact CG-CD2 4.31Å; F110-L117 HydrophobicContact CZ-CD2 3.68Å; F110-I133 HydrophobicContact CZ-CD1 4.32Å; F110-T167 HydrophobicContact CD2-CG2 3.71Å; F110-T167 HydrophobicContact CE2-CG2 4.13Å; F110-T167 HydrophobicContact CG-CG2 4.3Å; F110-S171 WeakPolarHBondContact CB-OG 2.96Å; F110-S171 PolarHBondContact O-OG 3.04Å; F110-N172 CarbonylContact O-C 3.46Å; F110-P173 HydrophobicContact CB-CB 4.21Å; F110-P173 HydrophobicContact CD1-CB 3.68Å; F110-P173 HydrophobicContact CE1-CB 4.29Å; F110-P173 HydrophobicContact CG-CB 4.1Å; F110-V176 HydrophobicContact CE1-CB 4.08Å; F110-V176 HydrophobicContact CE1-CG1 4.09Å; F110-V176 HydrophobicContact CE1-CG2 4.15Å; F110-V176 HydrophobicContact CZ-CG1 4.27Å; F110-F178 HydrophobicContact CD2-CZ 4.4Å; F110-F178 HydrophobicContact CE1-CZ 4.08Å; F110-F178 HydrophobicContact CE2-CE1 4.03Å; F110-F178 AromaticContact CE2-CZ 3.96Å; F110-F178 HydrophobicContact CE2-CZ 3.96Å; F110-F178 HydrophobicContact CZ-CE1 4.08Å; F110-F178 AromaticContact CZ-CZ 3.78Å; F110-F178 HydrophobicContact CZ-CZ 3.78Å |
| 111 | D | 88.5 | Confident | 95.2 | Very high | 20 Ų | 20 | 15 Ų | 15 | 11% | 0.107 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.9 | -170.6 | -80.6 | 13.6 | 0 | 0 | 0 | 113.7 | Q78 H108 S171 N172 | Q78-D111 HydrophobicContact CG-CB 4.3Å; Q78-D111 VanDerWaalsContact CG-OD2 3.32Å; Q78-D111 WeakPolarHBondContact CG-OD2 3.35Å; H108-D111 WeakPolarHBondContact CA-OD1 3.49Å; H108-D111 IonicContact CE1-OD2 3.94Å; H108-D111 IonicContact CG-OD2 3.23Å; H108-D111 IonicContact ND1-OD1 2.64Å; H108-D111 PolarHBondContact ND1-OD1 3.35Å; H108-D111 IonicContact ND1-OD2 2.67Å; H108-D111 PolarHBondContact ND1-OD2 2.98Å; H108-D111 WeakPolarHBondContact O-CB 3.32Å; H108-D111 PolarHBondContact O-N 2.99Å; H108-D111 VanDerWaalsContact O-N 3.11Å; D111-S171 WeakPolarHBondContact CA-OG 3.22Å; D111-S171 PolarHBondContact N-OG 2.73Å; D111-S171 VanDerWaalsContact N-OG 3.1Å; D111-S171 WeakPolarHBondContact OD1-CB 3.36Å; D111-S171 PolarHBondContact OD1-OG 2.74Å; D111-N172 PolarHBondContact O-ND2 2.97Å |
| 112 | D | 90.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 19.6 Ų | 19.6 | 36% | 0.358 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 11.7 | 175.2 | -80.9 | -8.9 | 0 | 0 | 0 | 112.8 | Y83 K87 F110 A116 | Y83-D112 PolarHBondContact OH-OD2 3.08Å; Y83-D112 VanDerWaalsContact OH-OD2 3.06Å; K87-D112 VanDerWaalsContact CD-OD2 3.22Å; K87-D112 WeakPolarHBondContact CD-OD2 3.41Å; K87-D112 WeakPolarHBondContact CE-OD2 3.26Å; K87-D112 IonicContact NZ-OD1 3.83Å; K87-D112 PolarHBondContact NZ-OD1 3.43Å; K87-D112 IonicContact NZ-OD2 3.64Å; K87-D112 PolarHBondContact NZ-OD2 2.81Å; F110-D112 VanDerWaalsContact C-N 3.26Å; F110-D112 PolarHBondContact O-N 3.42Å; D112-A116 HydrophobicContact CB-CB 3.36Å |
| 113 | G | 94 | Very high | 95.4 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | trans | 86.4 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F110 E115 A116 L117 | F110-G113 PolarHBondContact O-N 3.39Å; G113-E115 VanDerWaalsContact C-N 3.28Å; G113-E115 PolarHBondContact O-N 2.93Å; G113-A116 PolarHBondContact O-N 3.24Å; G113-L117 PolarHBondContact O-N 3.33Å | ||
| 114 | D | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | -171.3 | -69.4 | -4 | 0 | 0 | 0 | 112.1 | A118 V139 V140 D174 N175 V176 | D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 3.23Å; D114-V139 VanDerWaalsContact C-CG2 3.48Å; D114-V139 HydrophobicContact CB-CG2 3.55Å; D114-V140 WeakPolarHBondContact O-CG1 3.38Å; D114-D174 HydrophobicContact CB-CB 4.18Å; D114-D174 WeakPolarHBondContact CB-OD2 3.23Å; D114-D174 PolarHBondContact N-OD2 3.1Å; D114-D174 PolarHBondContact OD1-N 3.07Å; D114-D174 WeakPolarHBondContact OD2-CB 3.12Å; D114-N175 PolarHBondContact OD2-N 2.9Å; D114-V176 PolarHBondContact OD2-N 2.93Å |
| 115 | E | 97.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -76.5 | -30 | 180 | -174.1 | 58 | -142.2 | 0 | 0 | 112.5 | G113 A118 S119 R122 V139 | G113-E115 VanDerWaalsContact C-N 3.28Å; G113-E115 PolarHBondContact O-N 2.93Å; E115-A118 PolarHBondContact O-N 2.67Å; E115-S119 VanDerWaalsContact O-CB 3.27Å; E115-S119 WeakPolarHBondContact O-CB 3.37Å; E115-S119 PolarHBondContact O-N 2.95Å; E115-R122 IonicContact OE1-CZ 2.83Å; E115-R122 IonicContact OE1-NH1 3.79Å; E115-R122 PolarHBondContact OE1-NH1 3.19Å; E115-R122 IonicContact OE1-NH2 3.83Å; E115-R122 PolarHBondContact OE1-NH2 3.49Å; E115-R122 IonicContact OE2-NH1 3.56Å; E115-R122 IonicContact OE2-NH2 3.37Å; E115-R122 PolarHBondContact OE2-NH2 3.23Å; E115-V139 HydrophobicContact CB-CG2 4.22Å; E115-V139 VanDerWaalsContact OE2-CB 3.31Å; E115-V139 WeakPolarHBondContact OE2-CB 3.42Å; E115-V139 WeakPolarHBondContact OE2-CG1 3.41Å |
| 116 | A | 95.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.3 | -39.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | H88 D112 G113 S119 F120 | H88-A116 PolarHBondContact CD2-O 3.49Å; D112-A116 HydrophobicContact CB-CB 3.36Å; G113-A116 PolarHBondContact O-N 3.24Å; A116-S119 PolarHBondContact O-N 2.89Å; A116-F120 PolarHBondContact O-N 3.03Å |
| 117 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 169.3 | -178.9 | 50.6 | 0 | 0 | 0 | 111.1 | V105 E109 F110 G113 S119 F120 V121 V140 I144 | V105-L117 HydrophobicContact CG1-CD1 3.98Å; V105-L117 HydrophobicContact CG1-CD2 4.28Å; E109-L117 HydrophobicContact CB-CD1 3.87Å; E109-L117 HydrophobicContact CG-CD1 3.94Å; E109-L117 WeakPolarHBondContact O-CB 3.49Å; F110-L117 HydrophobicContact CD1-CD2 3.77Å; F110-L117 HydrophobicContact CE1-CD2 3.43Å; F110-L117 VanDerWaalsContact CE1-CD2 3.43Å; F110-L117 HydrophobicContact CE2-CD2 4.22Å; F110-L117 HydrophobicContact CG-CD2 4.31Å; F110-L117 HydrophobicContact CZ-CD2 3.68Å; G113-L117 PolarHBondContact O-N 3.33Å; L117-S119 VanDerWaalsContact C-N 3.34Å; L117-S119 PolarHBondContact O-N 3.49Å; L117-F120 HydrophobicContact CD1-CD1 4.29Å; L117-F120 WeakPolarHBondContact O-CB 3.46Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-F120 VanDerWaalsContact O-N 3.13Å; L117-V121 HydrophobicContact CD1-CG2 3.94Å; L117-V121 HydrophobicContact CG-CG2 4.44Å; L117-V121 WeakPolarHBondContact O-CG2 3.03Å; L117-V121 PolarHBondContact O-N 2.88Å; L117-V140 HydrophobicContact CB-CG1 4.33Å; L117-V140 HydrophobicContact CD2-CG1 4.29Å; L117-V140 HydrophobicContact CG-CG1 4.06Å; L117-I144 HydrophobicContact CD2-CD1 3.99Å; L117-I144 HydrophobicContact CG-CD1 4.36Å |
| 118 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D114 E115 F120 V121 R122 V139 V140 L143 | D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 3.23Å; E115-A118 PolarHBondContact O-N 2.67Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 PolarHBondContact O-N 2.8Å; A118-V121 PolarHBondContact O-N 3.37Å; A118-R122 VanDerWaalsContact CB-NH2 3.27Å; A118-R122 WeakPolarHBondContact O-CB 3.44Å; A118-R122 VanDerWaalsContact O-CD 3.23Å; A118-R122 WeakPolarHBondContact O-CD 3.37Å; A118-R122 WeakPolarHBondContact O-CG 3.15Å; A118-R122 PolarHBondContact O-N 2.59Å; A118-V139 HydrophobicContact CB-CB 4.44Å; A118-V139 HydrophobicContact CB-CG2 4.24Å; A118-V139 WeakPolarHBondContact CB-O 3.1Å; A118-V140 HydrophobicContact CB-CG1 3.73Å; A118-L143 HydrophobicContact CB-CD1 3.73Å |
| 119 | S | 98.1 | Very high | 96.4 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | H88 E115 A116 L117 K123 | H88-S119 PolarHBondContact CE1-OG 3.15Å; H88-S119 VanDerWaalsContact CE1-OG 3.24Å; H88-S119 WeakPolarHBondContact NE2-CB 3.47Å; H88-S119 PolarHBondContact NE2-OG 2.94Å; E115-S119 VanDerWaalsContact O-CB 3.27Å; E115-S119 WeakPolarHBondContact O-CB 3.37Å; E115-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-N 2.89Å; L117-S119 VanDerWaalsContact C-N 3.34Å; L117-S119 PolarHBondContact O-N 3.49Å; S119-K123 WeakPolarHBondContact O-CD 3.35Å; S119-K123 WeakPolarHBondContact O-CG 3.37Å |
| 120 | F | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -53 | 174.7 | 170.3 | -124.4 | 0 | 0 | 0 | 112.4 | Q76 F77 H88 I91 M95 M103 E109 A116 L117 A118 R122 K123 L124 | Q76-F120 HydrophobicContact CB-CZ 4.33Å; F77-F120 HydrophobicContact CE1-CB 3.86Å; F77-F120 AromaticContact CE1-CD1 3.54Å; F77-F120 HydrophobicContact CE1-CD1 3.54Å; F77-F120 HydrophobicContact CE1-CD2 4.08Å; F77-F120 HydrophobicContact CE1-CE1 4.01Å; F77-F120 HydrophobicContact CE1-CE2 4.49Å; F77-F120 AromaticContact CE1-CG 3.57Å; F77-F120 HydrophobicContact CE1-CG 3.57Å; F77-F120 HydrophobicContact CE1-CZ 4.46Å; F77-F120 HydrophobicContact CZ-CB 3.65Å; F77-F120 AromaticContact CZ-CD1 3.91Å; F77-F120 HydrophobicContact CZ-CD1 3.91Å; F77-F120 AromaticContact CZ-CG 3.88Å; F77-F120 HydrophobicContact CZ-CG 3.88Å; H88-F120 HydrophobicContact CB-CB 3.9Å; H88-F120 HydrophobicContact CB-CD2 3.78Å; H88-F120 HydrophobicContact CB-CG 4.11Å; I91-F120 HydrophobicContact CG2-CE2 3.92Å; I91-F120 HydrophobicContact CG2-CZ 4.28Å; M95-F120 HydrophobicContact SD-CE2 4.31Å; M95-F120 HydrophobicContact SD-CZ 3.91Å; M103-F120 HydrophobicContact CE-CE1 3.92Å; M103-F120 HydrophobicContact CE-CZ 4.22Å; M103-F120 HydrophobicContact SD-CE1 4.05Å; M103-F120 HydrophobicContact SD-CZ 4.12Å; E109-F120 HydrophobicContact CG-CE1 4.46Å; A116-F120 PolarHBondContact O-N 3.03Å; L117-F120 HydrophobicContact CD1-CD1 4.29Å; L117-F120 WeakPolarHBondContact O-CB 3.46Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-F120 VanDerWaalsContact O-N 3.13Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 PolarHBondContact O-N 2.8Å; F120-R122 VanDerWaalsContact C-N 3.29Å; F120-R122 PolarHBondContact O-N 2.92Å; F120-K123 WeakPolarHBondContact O-CB 3.09Å; F120-K123 PolarHBondContact O-N 2.78Å; F120-L124 HydrophobicContact CD2-CD2 4.36Å; F120-L124 HydrophobicContact CE1-CD1 4.05Å; F120-L124 HydrophobicContact CE2-CD1 4.26Å; F120-L124 HydrophobicContact CE2-CD2 3.78Å; F120-L124 HydrophobicContact CE2-CG 4.31Å; F120-L124 HydrophobicContact CZ-CD1 3.91Å; F120-L124 HydrophobicContact CZ-CD2 4.14Å; F120-L124 HydrophobicContact CZ-CG 4.45Å |
| 121 | V | 98.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | -177.1 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L117 A118 K123 L124 V128 L143 I144 | L117-V121 HydrophobicContact CD1-CG2 3.94Å; L117-V121 HydrophobicContact CG-CG2 4.44Å; L117-V121 WeakPolarHBondContact O-CG2 3.03Å; L117-V121 PolarHBondContact O-N 2.88Å; A118-V121 PolarHBondContact O-N 3.37Å; V121-K123 PolarHBondContact O-N 2.86Å; V121-K123 VanDerWaalsContact O-N 3.07Å; V121-L124 PolarHBondContact O-N 2.77Å; V121-L124 VanDerWaalsContact O-N 3.11Å; V121-V128 HydrophobicContact CB-CG2 4.39Å; V121-V128 HydrophobicContact CG1-CB 4.22Å; V121-V128 HydrophobicContact CG1-CG2 3.75Å; V121-V128 HydrophobicContact CG2-CB 4.46Å; V121-V128 HydrophobicContact CG2-CG2 3.94Å; V121-L143 HydrophobicContact CB-CB 4.35Å; V121-L143 HydrophobicContact CG1-CB 3.86Å; V121-I144 HydrophobicContact CG2-CG1 4.31Å |
| 122 | R | 98.4 | Very high | 97.3 | Very high | 127 Ų | 127 | 31.8 Ų | 31.8 | 48% | 0.479 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.8 | 175.5 | -69.1 | 162.9 | -162.8 | 154 | 3.7 | 114 | E115 A118 F120 V139 L143 | E115-R122 IonicContact OE1-CZ 2.83Å; E115-R122 IonicContact OE1-NH1 3.79Å; E115-R122 PolarHBondContact OE1-NH1 3.19Å; E115-R122 IonicContact OE1-NH2 3.83Å; E115-R122 PolarHBondContact OE1-NH2 3.49Å; E115-R122 IonicContact OE2-NH1 3.56Å; E115-R122 IonicContact OE2-NH2 3.37Å; E115-R122 PolarHBondContact OE2-NH2 3.23Å; A118-R122 VanDerWaalsContact CB-NH2 3.27Å; A118-R122 WeakPolarHBondContact O-CB 3.44Å; A118-R122 VanDerWaalsContact O-CD 3.23Å; A118-R122 WeakPolarHBondContact O-CD 3.37Å; A118-R122 WeakPolarHBondContact O-CG 3.15Å; A118-R122 PolarHBondContact O-N 2.59Å; F120-R122 VanDerWaalsContact C-N 3.29Å; F120-R122 PolarHBondContact O-N 2.92Å; R122-V139 PolarHBondContact NH2-O 2.83Å; R122-L143 HydrophobicContact CG-CD1 3.83Å; R122-L143 HydrophobicContact CG-CD2 4.01Å |
| 123 | K | 98.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 29% | 0.291 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -10.4 | 177.1 | -66.1 | 160.9 | 179 | -80.1 | 0 | 113.8 | E89 N96 S119 F120 V121 | E89-K123 VanDerWaalsContact OE1-CE 3.23Å; E89-K123 WeakPolarHBondContact OE1-CE 3.27Å; E89-K123 IonicContact OE1-NZ 3.26Å; E89-K123 PolarHBondContact OE1-NZ 3.38Å; E89-K123 IonicContact OE2-NZ 2.68Å; E89-K123 PolarHBondContact OE2-NZ 3.42Å; N96-K123 PolarHBondContact ND2-O 2.89Å; S119-K123 WeakPolarHBondContact O-CD 3.35Å; S119-K123 WeakPolarHBondContact O-CG 3.37Å; F120-K123 WeakPolarHBondContact O-CB 3.09Å; F120-K123 PolarHBondContact O-N 2.78Å; V121-K123 PolarHBondContact O-N 2.86Å; V121-K123 VanDerWaalsContact O-N 3.07Å |
| 124 | L | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | trans | -86.1 | 132.4 | -175.7 | -58.5 | 179.9 | 0 | 0 | 0 | 111.3 | M103 F120 V121 F126 V128 | M103-L124 HydrophobicContact SD-CD1 3.61Å; F120-L124 HydrophobicContact CD2-CD2 4.36Å; F120-L124 HydrophobicContact CE1-CD1 4.05Å; F120-L124 HydrophobicContact CE2-CD1 4.26Å; F120-L124 HydrophobicContact CE2-CD2 3.78Å; F120-L124 HydrophobicContact CE2-CG 4.31Å; F120-L124 HydrophobicContact CZ-CD1 3.91Å; F120-L124 HydrophobicContact CZ-CD2 4.14Å; F120-L124 HydrophobicContact CZ-CG 4.45Å; V121-L124 PolarHBondContact O-N 2.77Å; V121-L124 VanDerWaalsContact O-N 3.11Å; L124-F126 HydrophobicContact CB-CD1 4.33Å; L124-F126 HydrophobicContact CB-CE1 4.11Å; L124-F126 HydrophobicContact CB-CZ 4.22Å; L124-F126 HydrophobicContact CD1-CE2 4.03Å; L124-F126 HydrophobicContact CD1-CZ 3.91Å; L124-F126 HydrophobicContact CD2-CE1 3.87Å; L124-F126 HydrophobicContact CD2-CZ 3.76Å; L124-F126 HydrophobicContact CG-CE1 4.4Å; L124-F126 HydrophobicContact CG-CZ 4.17Å; L124-F126 PolarHBondContact O-N 3.01Å; L124-V128 HydrophobicContact CD1-CG2 3.65Å | ||
| 125 | N | 98.2 | Very high | 97.9 | Very high | 142 Ų | 142 | 31.6 Ų | 31.6 | 76% | 0.759 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -82.9 | 11.3 | 175.2 | -67.1 | -54.1 | 0 | 0 | 0 | 112.9 | N96 | N96-N125 PolarHBondContact ND2-ND2 3.08Å; N96-N125 WeakPolarHBondContact OD1-CB 3.35Å; N96-N125 PolarHBondContact OD1-N 3.48Å; N96-N125 PolarHBondContact OD1-ND2 3.09Å; N96-N125 VanDerWaalsContact OD1-ND2 3.16Å |
| 126 | F | 97.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -142.4 | 151.2 | -176.6 | 59.8 | -90.3 | 0 | 0 | 0 | 110.3 | M95 Y100 M103 L124 | M95-F126 HydrophobicContact CB-CE1 3.89Å; M95-F126 HydrophobicContact CB-CZ 3.87Å; M95-F126 HydrophobicContact CE-CE2 4.44Å; M95-F126 HydrophobicContact CE-CZ 3.96Å; M95-F126 HydrophobicContact SD-CZ 4.26Å; Y100-F126 HydrophobicContact CD2-CZ 4.36Å; Y100-F126 HydrophobicContact CG-CE2 4.49Å; Y100-F126 HydrophobicContact CG-CZ 4.35Å; Y100-F126 WeakPolarHBondContact O-CB 3.37Å; Y100-F126 WeakPolarHBondContact O-CG 3.47Å; M103-F126 HydrophobicContact CB-CE2 4.15Å; M103-F126 HydrophobicContact CG-CE2 3.88Å; M103-F126 HydrophobicContact SD-CE2 3.9Å; M103-F126 HydrophobicContact SD-CZ 4.33Å; L124-F126 HydrophobicContact CB-CD1 4.33Å; L124-F126 HydrophobicContact CB-CE1 4.11Å; L124-F126 HydrophobicContact CB-CZ 4.22Å; L124-F126 HydrophobicContact CD1-CE2 4.03Å; L124-F126 HydrophobicContact CD1-CZ 3.91Å; L124-F126 HydrophobicContact CD2-CE1 3.87Å; L124-F126 HydrophobicContact CD2-CZ 3.76Å; L124-F126 HydrophobicContact CG-CE1 4.4Å; L124-F126 HydrophobicContact CG-CZ 4.17Å; L124-F126 PolarHBondContact O-N 3.01Å |
| 127 | P | 98.2 | Very high | 97.8 | Very high | 50 Ų | 50 | 35 Ų | 35 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | trans | -72.2 | 139.7 | -172.9 | 28.9 | -37.2 | 0 | 0 | 0 | 113.4 | A102 M103 I148 | A102-P127 WeakPolarHBondContact CA-O 3.25Å; M103-P127 PolarHBondContact N-O 3.22Å; P127-I148 HydrophobicContact CB-CD1 3.79Å; P127-I148 HydrophobicContact CB-CG1 4.11Å; P127-I148 HydrophobicContact CG-CD1 3.46Å; P127-I148 VanDerWaalsContact CG-CD1 3.46Å; P127-I148 HydrophobicContact CG-CG1 4.02Å; P127-I148 HydrophobicContact CG-CG2 4.45Å | ||
| 128 | V | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129 | 166 | -175 | 0 | 0 | 0 | 0 | 108.5 | M103 V105 V121 L124 I144 V145 | M103-V128 HydrophobicContact CG-CB 4.26Å; M103-V128 HydrophobicContact CG-CG1 4.08Å; M103-V128 HydrophobicContact CG-CG2 3.75Å; M103-V128 CarbonylContact O-C 3.59Å; M103-V128 WeakPolarHBondContact O-CA 3.37Å; M103-V128 HydrophobicContact SD-CG2 4.03Å; V105-V128 HydrophobicContact CG1-CG1 3.74Å; V121-V128 HydrophobicContact CB-CG2 4.39Å; V121-V128 HydrophobicContact CG1-CB 4.22Å; V121-V128 HydrophobicContact CG1-CG2 3.75Å; V121-V128 HydrophobicContact CG2-CB 4.46Å; V121-V128 HydrophobicContact CG2-CG2 3.94Å; L124-V128 HydrophobicContact CD1-CG2 3.65Å; V128-I144 HydrophobicContact CB-CG1 4.3Å; V128-I144 HydrophobicContact CG1-CG1 4Å; V128-I144 HydrophobicContact CG1-CG2 4.11Å; V128-V145 WeakPolarHBondContact O-CG2 3.06Å; V128-V145 PolarHBondContact O-N 2.88Å |
| 129 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.1 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | A102 M103 T104 V145 I148 I159 G161 L203 | A102-V129 HydrophobicContact CB-CG1 4.34Å; M103-V129 WeakPolarHBondContact O-CG1 3.29Å; M103-V129 PolarHBondContact O-N 3.45Å; T104-V129 VanDerWaalsContact CA-O 3.26Å; T104-V129 WeakPolarHBondContact CA-O 3.39Å; T104-V129 VanDerWaalsContact CB-O 3.25Å; T104-V129 WeakPolarHBondContact CB-O 3.36Å; T104-V129 PolarHBondContact OG1-O 3.29Å; V129-V145 CarbonylContact C-O 3.41Å; V129-V145 VanDerWaalsContact CA-O 3.25Å; V129-V145 WeakPolarHBondContact CA-O 3.45Å; V129-V145 HydrophobicContact CB-CG2 4.06Å; V129-V145 HydrophobicContact CG2-CG2 4.26Å; V129-V145 WeakPolarHBondContact CG2-O 3.42Å; V129-I148 HydrophobicContact CB-CD1 3.68Å; V129-I148 HydrophobicContact CB-CG1 4Å; V129-I148 HydrophobicContact CG1-CD1 3.61Å; V129-I148 HydrophobicContact CG1-CG1 4.38Å; V129-I148 HydrophobicContact CG2-CD1 4.41Å; V129-I148 HydrophobicContact CG2-CG1 4.31Å; V129-I159 HydrophobicContact CG1-CG2 4.07Å; V129-G161 WeakPolarHBondContact O-CA 3.19Å; V129-L203 HydrophobicContact CG1-CD1 4.04Å |
| 130 | T | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | trans | -148 | 116.8 | 173.9 | -50.9 | 0 | 0 | 0 | 0 | 109.1 | T104 V105 I133 V145 V163 | T104-T130 PolarHBondContact OG1-OG1 3.41Å; V105-T130 HydrophobicContact CG2-CG2 4.12Å; V105-T130 PolarHBondContact N-OG1 2.83Å; T130-I133 HydrophobicContact CG2-CB 4.43Å; T130-I133 HydrophobicContact CG2-CD1 4.03Å; T130-I133 HydrophobicContact CG2-CG1 3.87Å; T130-I133 HydrophobicContact CG2-CG2 3.88Å; T130-V145 PolarHBondContact N-O 2.69Å; T130-V163 HydrophobicContact CG2-CB 4.33Å; T130-V163 HydrophobicContact CG2-CG1 4.01Å | ||
| 131 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -84.8 | -35.1 | -166.5 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | K146 L160 G161 H188 | T131-K146 WeakPolarHBondContact O-CD 3.11Å; T131-K146 PolarHBondContact OG1-O 2.93Å; T131-L160 HydrophobicContact CG2-CD2 4.19Å; T131-L160 WeakPolarHBondContact OG1-CD2 3.38Å; T131-G161 WeakPolarHBondContact CA-O 3.34Å; T131-G161 WeakPolarHBondContact CB-O 3.05Å; T131-G161 PolarHBondContact N-O 2.86Å; T131-G161 PolarHBondContact OG1-N 2.77Å; T131-G161 PolarHBondContact OG1-O 2.71Å; T131-H188 HydrophobicContact CG2-CB 3.76Å; T131-H188 VanDerWaalsContact CG2-CD2 3.42Å; T131-H188 WeakPolarHBondContact CG2-CD2 3.46Å |
| 132 | N | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -92.5 | 3.1 | -173.4 | 75.9 | -55 | 0 | 0 | 0 | 115.1 | C162 V163 E179 A184 | N132-C162 WeakPolarHBondContact OD1-CA 3.42Å; N132-C162 WeakPolarHBondContact OD1-CB 3.47Å; N132-V163 PolarHBondContact ND2-O 3.06Å; N132-V163 PolarHBondContact OD1-N 2.93Å; N132-E179 HydrophobicContact CB-CB 4.37Å; N132-E179 PolarHBondContact ND2-O 3.46Å; N132-E179 PolarHBondContact O-N 2.83Å; N132-A184 HydrophobicContact CB-CB 3.45Å; N132-A184 VanDerWaalsContact CB-CB 3.45Å |
| 133 | I | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.9 | 171.6 | 67.7 | 174.7 | 0 | 0 | 0 | 110.6 | V105 F110 T130 T135 I144 K146 V163 V176 T177 F178 | V105-I133 HydrophobicContact CG2-CD1 4.34Å; F110-I133 HydrophobicContact CZ-CD1 4.32Å; T130-I133 HydrophobicContact CG2-CB 4.43Å; T130-I133 HydrophobicContact CG2-CD1 4.03Å; T130-I133 HydrophobicContact CG2-CG1 3.87Å; T130-I133 HydrophobicContact CG2-CG2 3.88Å; I133-T135 HydrophobicContact CD1-CG2 4.11Å; I133-T135 HydrophobicContact CG1-CG2 4.11Å; I133-I144 HydrophobicContact CD1-CD1 3.91Å; I133-I144 HydrophobicContact CD1-CG2 4.07Å; I133-K146 PolarHBondContact O-NZ 2.84Å; I133-V163 HydrophobicContact CG2-CG1 3.55Å; I133-V176 HydrophobicContact CB-CG1 3.73Å; I133-V176 HydrophobicContact CD1-CG1 4.27Å; I133-V176 HydrophobicContact CG1-CG1 4.42Å; I133-V176 HydrophobicContact CG2-CG1 4.26Å; I133-T177 CarbonylContact C-O 3.56Å; I133-T177 VanDerWaalsContact CA-O 3.3Å; I133-T177 WeakPolarHBondContact CA-O 3.46Å; I133-F178 HydrophobicContact CG2-CD1 3.54Å; I133-F178 HydrophobicContact CG2-CE1 3.53Å; I133-F178 HydrophobicContact CG2-CG 4.35Å; I133-F178 HydrophobicContact CG2-CZ 4.35Å |
| 134 | E | 97.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.2 | 175.2 | -164.8 | 52.7 | -105.3 | 0 | 0 | 111.1 | N136 K146 T177 | E134-N136 PolarHBondContact OE1-ND2 3.09Å; E134-K146 IonicContact OE1-NZ 3.8Å; E134-K146 WeakPolarHBondContact OE2-CE 3.48Å; E134-K146 IonicContact OE2-NZ 3.2Å; E134-K146 PolarHBondContact OE2-NZ 2.86Å; E134-T177 PolarHBondContact N-O 2.95Å; E134-T177 PolarHBondContact O-N 3.4Å |
| 135 | T | 97.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | trans | -126 | -0.1 | -163.4 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | I133 G137 T138 V140 E141 V176 | I133-T135 HydrophobicContact CD1-CG2 4.11Å; I133-T135 HydrophobicContact CG1-CG2 4.11Å; T135-G137 PolarHBondContact O-N 2.82Å; T135-T138 WeakPolarHBondContact O-CB 3.18Å; T135-T138 WeakPolarHBondContact O-CG2 3.48Å; T135-T138 PolarHBondContact O-N 3.39Å; T135-T138 PolarHBondContact O-OG1 3.31Å; T135-V140 HydrophobicContact CG2-CG2 3.76Å; T135-E141 WeakPolarHBondContact O-CB 3.44Å; T135-V176 HydrophobicContact CG2-CG1 4.45Å; T135-V176 HydrophobicContact CG2-CG2 4.22Å | ||
| 136 | N | 95.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 62% | 0.615 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 127.4 | 175.3 | -55.8 | -52.5 | 0 | 0 | 0 | 110.9 | E134 T138 | E134-N136 PolarHBondContact OE1-ND2 3.09Å; N136-T138 VanDerWaalsContact C-N 3.35Å |
| 137 | G | 95.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 36.9 Ų | 36.9 | 73% | 0.732 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 2.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T135 E141 | T135-G137 PolarHBondContact O-N 2.82Å; G137-E141 PolarHBondContact N-OE2 3Å |
| 138 | T | 97 | Very high | 97.7 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -103 | 164.2 | -178.6 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | T135 N136 V140 E141 N175 V176 | T135-T138 WeakPolarHBondContact O-CB 3.18Å; T135-T138 WeakPolarHBondContact O-CG2 3.48Å; T135-T138 PolarHBondContact O-N 3.39Å; T135-T138 PolarHBondContact O-OG1 3.31Å; N136-T138 VanDerWaalsContact C-N 3.35Å; T138-V140 PolarHBondContact O-N 3.04Å; T138-V140 VanDerWaalsContact OG1-CG2 3.23Å; T138-V140 WeakPolarHBondContact OG1-CG2 3.36Å; T138-V140 PolarHBondContact OG1-N 3.34Å; T138-E141 WeakPolarHBondContact O-CB 3.44Å; T138-E141 PolarHBondContact O-N 2.78Å; T138-E141 VanDerWaalsContact O-N 3.1Å; T138-E141 PolarHBondContact OG1-N 2.86Å; T138-N175 HydrophobicContact CG2-CB 3.85Å; T138-V176 HydrophobicContact CG2-CG2 4.04Å |
| 139 | V | 97.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.7 | 176.2 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | D114 E115 A118 R122 | D114-V139 VanDerWaalsContact C-CG2 3.48Å; D114-V139 HydrophobicContact CB-CG2 3.55Å; E115-V139 HydrophobicContact CB-CG2 4.22Å; E115-V139 VanDerWaalsContact OE2-CB 3.31Å; E115-V139 WeakPolarHBondContact OE2-CB 3.42Å; E115-V139 WeakPolarHBondContact OE2-CG1 3.41Å; A118-V139 HydrophobicContact CB-CB 4.44Å; A118-V139 HydrophobicContact CB-CG2 4.24Å; A118-V139 WeakPolarHBondContact CB-O 3.1Å; R122-V139 PolarHBondContact NH2-O 2.83Å |
| 140 | V | 96.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 6.1 | 171.9 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | D114 L117 A118 T135 T138 G142 L143 I144 V176 | D114-V140 WeakPolarHBondContact O-CG1 3.38Å; L117-V140 HydrophobicContact CB-CG1 4.33Å; L117-V140 HydrophobicContact CD2-CG1 4.29Å; L117-V140 HydrophobicContact CG-CG1 4.06Å; A118-V140 HydrophobicContact CB-CG1 3.73Å; T135-V140 HydrophobicContact CG2-CG2 3.76Å; T138-V140 PolarHBondContact O-N 3.04Å; T138-V140 VanDerWaalsContact OG1-CG2 3.23Å; T138-V140 WeakPolarHBondContact OG1-CG2 3.36Å; T138-V140 PolarHBondContact OG1-N 3.34Å; V140-G142 PolarHBondContact O-N 3.17Å; V140-L143 PolarHBondContact O-N 2.86Å; V140-L143 VanDerWaalsContact O-N 3.1Å; V140-I144 HydrophobicContact CB-CD1 4.24Å; V140-I144 HydrophobicContact CG1-CD1 4.48Å; V140-I144 HydrophobicContact CG2-CD1 4.48Å; V140-V176 HydrophobicContact CG2-CG2 3.5Å; V140-V176 VanDerWaalsContact CG2-CG2 3.5Å |
| 141 | E | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 128.1 | 174.4 | -165.8 | -178 | 143.3 | 0 | 0 | 110.8 | T135 G137 T138 L143 | T135-E141 WeakPolarHBondContact O-CB 3.44Å; G137-E141 PolarHBondContact N-OE2 3Å; T138-E141 WeakPolarHBondContact O-CB 3.44Å; T138-E141 PolarHBondContact O-N 2.78Å; T138-E141 VanDerWaalsContact O-N 3.1Å; T138-E141 PolarHBondContact OG1-N 2.86Å; E141-L143 PolarHBondContact O-N 2.85Å |
| 142 | G | 97 | Very high | 97.1 | Very high | 67 Ų | 67 | 49 Ų | 49 | 69% | 0.691 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | -8.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V140 | V140-G142 PolarHBondContact O-N 3.17Š|
| 143 | L | 98.2 | Very high | 96.7 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -42.2 | 173.6 | -60.7 | -174.9 | 0 | 0 | 0 | 111.8 | A118 V121 R122 V140 E141 | A118-L143 HydrophobicContact CB-CD1 3.73Å; V121-L143 HydrophobicContact CB-CB 4.35Å; V121-L143 HydrophobicContact CG1-CB 3.86Å; R122-L143 HydrophobicContact CG-CD1 3.83Å; R122-L143 HydrophobicContact CG-CD2 4.01Å; V140-L143 PolarHBondContact O-N 2.86Å; V140-L143 VanDerWaalsContact O-N 3.1Å; E141-L143 PolarHBondContact O-N 2.85Å |
| 144 | I | 98.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.7 | 175.2 | -56.5 | 169.3 | 0 | 0 | 0 | 108.3 | V105 L117 V121 V128 I133 V140 | V105-I144 HydrophobicContact CG1-CD1 3.82Å; L117-I144 HydrophobicContact CD2-CD1 3.99Å; L117-I144 HydrophobicContact CG-CD1 4.36Å; V121-I144 HydrophobicContact CG2-CG1 4.31Å; V128-I144 HydrophobicContact CB-CG1 4.3Å; V128-I144 HydrophobicContact CG1-CG1 4Å; V128-I144 HydrophobicContact CG1-CG2 4.11Å; I133-I144 HydrophobicContact CD1-CD1 3.91Å; I133-I144 HydrophobicContact CD1-CG2 4.07Å; V140-I144 HydrophobicContact CB-CD1 4.24Å; V140-I144 HydrophobicContact CG1-CD1 4.48Å; V140-I144 HydrophobicContact CG2-CD1 4.48Å |
| 145 | V | 98.2 | Very high | 96.1 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 154.7 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | V128 V129 T130 I148 | V128-V145 WeakPolarHBondContact O-CG2 3.06Å; V128-V145 PolarHBondContact O-N 2.88Å; V129-V145 CarbonylContact C-O 3.41Å; V129-V145 VanDerWaalsContact CA-O 3.25Å; V129-V145 WeakPolarHBondContact CA-O 3.45Å; V129-V145 HydrophobicContact CB-CG2 4.06Å; V129-V145 HydrophobicContact CG2-CG2 4.26Å; V129-V145 WeakPolarHBondContact CG2-O 3.42Å; T130-V145 PolarHBondContact N-O 2.69Å; V145-I148 HydrophobicContact CG2-CG1 3.81Å |
| 146 | K | 98.2 | Very high | 96 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 21% | 0.213 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -75.4 | -27.7 | 177.2 | -61.4 | -72.4 | -167.9 | 165.2 | 0 | 113.3 | T131 I133 E134 | T131-K146 WeakPolarHBondContact O-CD 3.11Å; T131-K146 PolarHBondContact OG1-O 2.93Å; I133-K146 PolarHBondContact O-NZ 2.84Å; E134-K146 IonicContact OE1-NZ 3.8Å; E134-K146 WeakPolarHBondContact OE2-CE 3.48Å; E134-K146 IonicContact OE2-NZ 3.2Å; E134-K146 PolarHBondContact OE2-NZ 2.86Å |
| 147 | E | 98.4 | Very high | 96.1 | Very high | 44 Ų | 44 | 57 Ų | 57 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 156.8 | -179.9 | 65.1 | -157.1 | -147.6 | 0 | 0 | 111.9 | I159 L160 H188 R191 L192 | E147-I159 WeakPolarHBondContact CA-O 3.43Å; E147-L160 HydrophobicContact CB-CD2 3.7Å; E147-H188 IonicContact OE2-CE1 2.7Å; E147-H188 IonicContact OE2-CG 3.66Å; E147-H188 IonicContact OE2-ND1 2.73Å; E147-H188 PolarHBondContact OE2-ND1 2.57Å; E147-R191 IonicContact OE1-CZ 2.68Å; E147-R191 VanDerWaalsContact OE1-CZ 3.3Å; E147-R191 IonicContact OE1-NH1 2.75Å; E147-R191 PolarHBondContact OE1-NH1 3.32Å; E147-R191 IonicContact OE1-NH2 3.76Å; E147-R191 PolarHBondContact OE1-NH2 2.94Å; E147-R191 IonicContact OE2-CZ 3.35Å; E147-R191 IonicContact OE2-NH1 2.6Å; E147-R191 IonicContact OE2-NH2 3.66Å; E147-R191 PolarHBondContact OE2-NH2 2.84Å; E147-L192 WeakPolarHBondContact OE1-CD2 3.22Å |
| 148 | I | 98.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.1 | 173 | -54.8 | 156.4 | 0 | 0 | 0 | 108.6 | A102 P127 V129 V145 K150 A158 I159 | A102-I148 HydrophobicContact CB-CD1 3.46Å; A102-I148 VanDerWaalsContact CB-CD1 3.46Å; P127-I148 HydrophobicContact CB-CD1 3.79Å; P127-I148 HydrophobicContact CB-CG1 4.11Å; P127-I148 HydrophobicContact CG-CD1 3.46Å; P127-I148 VanDerWaalsContact CG-CD1 3.46Å; P127-I148 HydrophobicContact CG-CG1 4.02Å; P127-I148 HydrophobicContact CG-CG2 4.45Å; V129-I148 HydrophobicContact CB-CD1 3.68Å; V129-I148 HydrophobicContact CB-CG1 4Å; V129-I148 HydrophobicContact CG1-CD1 3.61Å; V129-I148 HydrophobicContact CG1-CG1 4.38Å; V129-I148 HydrophobicContact CG2-CD1 4.41Å; V129-I148 HydrophobicContact CG2-CG1 4.31Å; V145-I148 HydrophobicContact CG2-CG1 3.81Å; I148-K150 HydrophobicContact CG2-CG 4.12Å; I148-A158 CarbonylContact O-C 3.59Å; I148-A158 VanDerWaalsContact O-CA 3.3Å; I148-A158 WeakPolarHBondContact O-CA 3.32Å; I148-I159 HydrophobicContact CB-CB 4.35Å; I148-I159 PolarHBondContact N-O 3.23Å; I148-I159 PolarHBondContact O-N 3.41Å |
| 149 | I | 98.2 | Very high | 96.3 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 40% | 0.395 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.8 | 168.7 | -49.3 | -59.4 | 0 | 0 | 0 | 109.2 | K156 V157 A158 L192 I197 | I149-K156 HydrophobicContact CG2-CB 4.06Å; I149-K156 HydrophobicContact CG2-CD 4.2Å; I149-K156 HydrophobicContact CG2-CG 4.3Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; I149-A158 HydrophobicContact CD1-CB 3.64Å; I149-L192 HydrophobicContact CD1-CD2 3.8Å; I149-I197 HydrophobicContact CD1-CD1 4.09Å; I149-I197 HydrophobicContact CD1-CG1 4.37Å; I149-I197 HydrophobicContact CG2-CD1 4.32Å |
| 150 | K | 95.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.4 | 170.4 | -64.2 | -108 | -176.8 | 170.6 | 0 | 109 | L69 D101 I148 I152 V157 I159 | L69-K150 HydrophobicContact CD2-CD 4.34Å; D101-K150 WeakPolarHBondContact O-CE 3.32Å; D101-K150 PolarHBondContact O-NZ 3.48Å; D101-K150 IonicContact OD1-NZ 3.04Å; D101-K150 PolarHBondContact OD1-NZ 3.12Å; I148-K150 HydrophobicContact CG2-CG 4.12Å; K150-I152 HydrophobicContact CB-CD1 4.23Å; K150-I152 HydrophobicContact CB-CG1 4.15Å; K150-V157 PolarHBondContact N-O 2.52Å; K150-V157 PolarHBondContact O-N 3.21Å; K150-I159 HydrophobicContact CG-CD1 4.2Å |
| 151 | E | 95.4 | Very high | 96.4 | Very high | 134 Ų | 134 | 49.7 Ų | 49.7 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.2 | 168.2 | -168.1 | 166.5 | 131.4 | 0 | 0 | 109.4 | A155 | E151-A155 WeakPolarHBondContact CA-O 3.49Å |
| 152 | I | 92.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 113.3 | -171.9 | -52.5 | 179 | 0 | 0 | 0 | 107 | L2 N67 L69 K150 G154 A155 V157 | L2-I152 HydrophobicContact CD1-CD1 3.64Å; L2-I152 HydrophobicContact CD1-CG2 4.1Å; N67-I152 HydrophobicContact CB-CG2 3.56Å; L69-I152 HydrophobicContact CD1-CD1 3.79Å; L69-I152 HydrophobicContact CD2-CD1 3.83Å; L69-I152 HydrophobicContact CG-CD1 3.82Å; K150-I152 HydrophobicContact CB-CD1 4.23Å; K150-I152 HydrophobicContact CB-CG1 4.15Å; I152-G154 PolarHBondContact O-N 3.42Å; I152-A155 PolarHBondContact N-O 2.92Å; I152-A155 WeakPolarHBondContact O-CB 3.19Å; I152-A155 PolarHBondContact O-N 2.91Å; I152-V157 HydrophobicContact CD1-CB 4.35Å; I152-V157 HydrophobicContact CD1-CG2 4.05Å; I152-V157 HydrophobicContact CG1-CG2 4.49Å |
| 153 | D | 89.3 | Confident | 96.5 | Very high | 136 Ų | 136 | 41.6 Ų | 41.6 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38.8 | -179.9 | -150.9 | 5.9 | 0 | 0 | 0 | 112.6 | N67 A155 | N67-D153 WeakPolarHBondContact ND2-CB 3.21Å; N67-D153 PolarHBondContact ND2-OD2 3.44Å; N67-D153 VanDerWaalsContact ND2-OD2 3.1Å; D153-A155 PolarHBondContact O-N 2.76Å |
| 154 | G | 90.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 64% | 0.639 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 1.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | I152 | I152-G154 PolarHBondContact O-N 3.42Š|
| 155 | A | 92.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 35% | 0.347 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E151 I152 D153 | E151-A155 WeakPolarHBondContact CA-O 3.49Å; I152-A155 PolarHBondContact N-O 2.92Å; I152-A155 WeakPolarHBondContact O-CB 3.19Å; I152-A155 PolarHBondContact O-N 2.91Å; D153-A155 PolarHBondContact O-N 2.76Å |
| 156 | K | 95.8 | Very high | 95.9 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.6 | 171.4 | -64.7 | -170.1 | 177.5 | -170.6 | 0 | 110.7 | I149 I197 | I149-K156 HydrophobicContact CG2-CB 4.06Å; I149-K156 HydrophobicContact CG2-CD 4.2Å; I149-K156 HydrophobicContact CG2-CG 4.3Å; K156-I197 HydrophobicContact CB-CD1 3.92Å; K156-I197 HydrophobicContact CD-CD1 4.43Å |
| 157 | V | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | L2 I149 K150 I152 I199 I201 | L2-V157 HydrophobicContact CD2-CG2 4.48Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; K150-V157 PolarHBondContact N-O 2.52Å; K150-V157 PolarHBondContact O-N 3.21Å; I152-V157 HydrophobicContact CD1-CB 4.35Å; I152-V157 HydrophobicContact CD1-CG2 4.05Å; I152-V157 HydrophobicContact CG1-CG2 4.49Å; V157-I199 HydrophobicContact CG1-CB 4.48Å; V157-I199 HydrophobicContact CG1-CG2 4.02Å; V157-I199 HydrophobicContact CG2-CB 4.14Å; V157-I199 HydrophobicContact CG2-CD1 4.21Å; V157-I199 HydrophobicContact CG2-CG2 4.18Å; V157-I201 HydrophobicContact CG1-CD1 3.68Å; V157-I201 HydrophobicContact CG1-CG1 4.12Å |
| 158 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 140.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I148 I149 L192 I197 I199 I200 I201 | I148-A158 CarbonylContact O-C 3.59Å; I148-A158 VanDerWaalsContact O-CA 3.3Å; I148-A158 WeakPolarHBondContact O-CA 3.32Å; I149-A158 HydrophobicContact CD1-CB 3.64Å; A158-L192 HydrophobicContact CB-CD1 3.85Å; A158-L192 HydrophobicContact CB-CD2 4.1Å; A158-I197 HydrophobicContact CB-CG2 3.82Å; A158-I199 PolarHBondContact N-O 3.24Å; A158-I200 HydrophobicContact CB-CG1 4.29Å; A158-I200 WeakPolarHBondContact O-CA 3.27Å; A158-I201 PolarHBondContact O-N 2.65Å |
| 159 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.7 | 167.5 | -51.4 | 173.6 | 0 | 0 | 0 | 106.6 | L69 L71 A102 V129 E147 I148 K150 I201 L203 | L69-I159 HydrophobicContact CD1-CD1 4.43Å; L71-I159 HydrophobicContact CD2-CD1 3.94Å; A102-I159 HydrophobicContact CB-CD1 4.06Å; A102-I159 HydrophobicContact CB-CG2 4.37Å; V129-I159 HydrophobicContact CG1-CG2 4.07Å; E147-I159 WeakPolarHBondContact CA-O 3.43Å; I148-I159 HydrophobicContact CB-CB 4.35Å; I148-I159 PolarHBondContact N-O 3.23Å; I148-I159 PolarHBondContact O-N 3.41Å; K150-I159 HydrophobicContact CG-CD1 4.2Å; I159-I201 WeakPolarHBondContact CA-O 3.32Å; I159-L203 HydrophobicContact CG2-CD1 3.95Å; I159-L203 HydrophobicContact CG2-CD2 4.34Å; I159-L203 HydrophobicContact CG2-CG 3.82Å |
| 160 | L | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 164.5 | 167.1 | -66.4 | 176.9 | 0 | 0 | 0 | 109 | T131 E147 L185 H188 L192 I200 I201 L202 L203 | T131-L160 HydrophobicContact CG2-CD2 4.19Å; T131-L160 WeakPolarHBondContact OG1-CD2 3.38Å; E147-L160 HydrophobicContact CB-CD2 3.7Å; L160-L185 HydrophobicContact CB-CD2 4.19Å; L160-L185 HydrophobicContact CD1-CD2 3.97Å; L160-H188 HydrophobicContact CD1-CB 4.31Å; L160-H188 HydrophobicContact CD2-CB 3.99Å; L160-L192 HydrophobicContact CD1-CD1 4.16Å; L160-L192 HydrophobicContact CD2-CD1 3.76Å; L160-L192 HydrophobicContact CG-CD1 4.06Å; L160-I200 HydrophobicContact CD1-CG2 3.99Å; L160-I200 HydrophobicContact CG-CG2 4.3Å; L160-I201 PolarHBondContact N-O 2.66Å; L160-L202 HydrophobicContact CB-CD1 3.93Å; L160-L202 WeakPolarHBondContact O-CA 3.3Å; L160-L203 PolarHBondContact O-N 2.81Å |
| 161 | G | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V129 T131 L203 | V129-G161 WeakPolarHBondContact O-CA 3.19Å; T131-G161 WeakPolarHBondContact CA-O 3.34Å; T131-G161 WeakPolarHBondContact CB-O 3.05Å; T131-G161 PolarHBondContact N-O 2.86Å; T131-G161 PolarHBondContact OG1-N 2.77Å; T131-G161 PolarHBondContact OG1-O 2.71Å; G161-L203 CarbonylContact C-O 3.58Å; G161-L203 WeakPolarHBondContact CA-O 3.49Å |
| 162 | C | 98 | Very high | 94 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.5 | 162.9 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | N132 E181 L185 L202 L203 S204 H205 S206 | N132-C162 WeakPolarHBondContact OD1-CA 3.42Å; N132-C162 WeakPolarHBondContact OD1-CB 3.47Å; C162-E181 HydrophobicContact CB-CB 4.33Å; C162-L185 HydrophobicContact CB-CD1 4.32Å; C162-L202 HydrophobicContact CB-CD1 4.38Å; C162-L203 PolarHBondContact N-O 3.2Å; C162-S204 PolarHBondContact SG-OG 3.07Å; C162-H205 PolarHBondContact O-N 2.7Å; C162-S206 PolarHBondContact SG-OG 3.05Å |
| 163 | V | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.9 | 172.4 | 66.2 | 0 | 0 | 0 | 0 | 108.4 | V105 G106 T130 N132 I133 A165 T167 F178 H205 | V105-V163 HydrophobicContact CG2-CB 4.38Å; V105-V163 HydrophobicContact CG2-CG1 4.42Å; G106-V163 VanDerWaalsContact C-CG2 3.47Å; T130-V163 HydrophobicContact CG2-CB 4.33Å; T130-V163 HydrophobicContact CG2-CG1 4.01Å; N132-V163 PolarHBondContact ND2-O 3.06Å; N132-V163 PolarHBondContact OD1-N 2.93Å; I133-V163 HydrophobicContact CG2-CG1 3.55Å; V163-A165 PolarHBondContact O-N 2.79Å; V163-T167 WeakPolarHBondContact CG2-OG1 3.49Å; V163-F178 HydrophobicContact CG1-CD1 3.81Å; V163-F178 HydrophobicContact CG1-CE1 3.73Å; V163-H205 CarbonylContact C-O 3.54Å; V163-H205 HydrophobicContact CB-CB 4.39Å; V163-H205 HydrophobicContact CG2-CB 4.2Å |
| 164 | T | 95.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | trans | -49 | 132.5 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | N107 E166 T167 L170 H205 | N107-T164 HydrophobicContact CB-CG2 4.31Å; T164-E166 PolarHBondContact O-N 2.83Å; T164-E166 VanDerWaalsContact O-N 3.14Å; T164-E166 PolarHBondContact OG1-N 2.97Å; T164-T167 PolarHBondContact O-N 3.2Å; T164-T167 VanDerWaalsContact O-N 3.14Å; T164-T167 PolarHBondContact O-OG1 2.95Å; T164-L170 HydrophobicContact CG2-CD1 3.88Å; T164-H205 PolarHBondContact N-O 3Å | ||
| 165 | A | 95.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V163 T167 E181 | V163-A165 PolarHBondContact O-N 2.79Å; A165-T167 VanDerWaalsContact C-N 3.28Å; A165-T167 PolarHBondContact O-N 2.75Å; A165-E181 PolarHBondContact N-OE1 3.15Å |
| 166 | E | 92.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 0.2 | 173.7 | -56 | -173.3 | 152 | 0 | 0 | 113.1 | T164 P168 D169 L170 | T164-E166 PolarHBondContact O-N 2.83Å; T164-E166 VanDerWaalsContact O-N 3.14Å; T164-E166 PolarHBondContact OG1-N 2.97Å; E166-P168 VanDerWaalsContact C-CD 3.49Å; E166-D169 WeakPolarHBondContact O-CA 3.16Å; E166-D169 WeakPolarHBondContact O-CB 3.38Å; E166-D169 PolarHBondContact O-N 2.81Å; E166-L170 HydrophobicContact CB-CD1 3.81Å; E166-L170 HydrophobicContact CB-CG 4.17Å; E166-L170 WeakPolarHBondContact O-CG 3.5Å; E166-L170 PolarHBondContact O-N 3.05Å |
| 167 | T | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.8 | -38.8 | -178.7 | -65.4 | 0 | 0 | 0 | 0 | 115.5 | N107 F110 V163 T164 A165 D169 L170 S171 F178 | N107-T167 HydrophobicContact CB-CG2 4.11Å; F110-T167 HydrophobicContact CD2-CG2 3.71Å; F110-T167 HydrophobicContact CE2-CG2 4.13Å; F110-T167 HydrophobicContact CG-CG2 4.3Å; V163-T167 WeakPolarHBondContact CG2-OG1 3.49Å; T164-T167 PolarHBondContact O-N 3.2Å; T164-T167 VanDerWaalsContact O-N 3.14Å; T164-T167 PolarHBondContact O-OG1 2.95Å; A165-T167 VanDerWaalsContact C-N 3.28Å; A165-T167 PolarHBondContact O-N 2.75Å; T167-D169 PolarHBondContact O-N 3.36Å; T167-L170 PolarHBondContact O-N 2.86Å; T167-L170 VanDerWaalsContact O-N 3.12Å; T167-S171 PolarHBondContact O-N 2.8Å; T167-F178 VanDerWaalsContact CB-CE1 3.46Å; T167-F178 HydrophobicContact CG2-CD1 4.41Å; T167-F178 HydrophobicContact CG2-CE1 3.52Å; T167-F178 HydrophobicContact CG2-CE2 4.37Å; T167-F178 HydrophobicContact CG2-CZ 3.51Å |
| 168 | P | 92.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 36 Ų | 36 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -20.7 | 174 | -24.3 | 36.1 | 0 | 0 | 0 | 115 | E166 P173 F178 | E166-P168 VanDerWaalsContact C-CD 3.49Å; P168-P173 HydrophobicContact CB-CG 4.41Å; P168-P173 HydrophobicContact CG-CG 4.46Å; P168-F178 HydrophobicContact CG-CD2 3.44Å; P168-F178 VanDerWaalsContact CG-CD2 3.44Å; P168-F178 HydrophobicContact CG-CE2 3.85Å; P168-F178 HydrophobicContact CG-CG 4.1Å |
| 169 | D | 88.8 | Confident | 94.8 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -85.4 | -37.5 | 169.5 | -70.7 | -37.3 | 0 | 0 | 0 | 110.8 | E166 T167 Y489 G494 D495 H498 | E166-D169 WeakPolarHBondContact O-CA 3.16Å; E166-D169 WeakPolarHBondContact O-CB 3.38Å; E166-D169 PolarHBondContact O-N 2.81Å; T167-D169 PolarHBondContact O-N 3.36Å; D169-Y489 PolarHBondContact O-OH 2.66Å; D169-G494 CarbonylContact O-C 3.5Å; D169-G494 WeakPolarHBondContact O-CA 3.48Å; D169-D495 PolarHBondContact O-N 2.83Å; D169-H498 IonicContact OD1-CE1 2.71Å; D169-H498 PolarHBondContact OD1-CE1 2.83Å; D169-H498 IonicContact OD1-NE2 2.71Å |
| 170 | L | 87.7 | Confident | 94.8 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -87.6 | -11.8 | -169.4 | -64 | 172.7 | 0 | 0 | 0 | 115.2 | N107 T164 E166 T167 Y489 D495 | N107-L170 HydrophobicContact CB-CB 4.41Å; T164-L170 HydrophobicContact CG2-CD1 3.88Å; E166-L170 HydrophobicContact CB-CD1 3.81Å; E166-L170 HydrophobicContact CB-CG 4.17Å; E166-L170 WeakPolarHBondContact O-CG 3.5Å; E166-L170 PolarHBondContact O-N 3.05Å; T167-L170 PolarHBondContact O-N 2.86Å; T167-L170 VanDerWaalsContact O-N 3.12Å; L170-Y489 WeakPolarHBondContact CA-OH 3.28Å; L170-D495 WeakPolarHBondContact CD2-OD1 3.35Å |
| 171 | S | 89.5 | Confident | 94.7 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -155.6 | -168.2 | -171.8 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | N107 F110 D111 T167 P173 | N107-S171 VanDerWaalsContact O-CB 3.29Å; N107-S171 WeakPolarHBondContact O-CB 3.32Å; N107-S171 PolarHBondContact O-OG 3.01Å; N107-S171 VanDerWaalsContact O-OG 3.04Å; F110-S171 WeakPolarHBondContact CB-OG 2.96Å; F110-S171 PolarHBondContact O-OG 3.04Å; D111-S171 WeakPolarHBondContact CA-OG 3.22Å; D111-S171 PolarHBondContact N-OG 2.73Å; D111-S171 VanDerWaalsContact N-OG 3.1Å; D111-S171 WeakPolarHBondContact OD1-CB 3.36Å; D111-S171 PolarHBondContact OD1-OG 2.74Å; T167-S171 PolarHBondContact O-N 2.8Å; S171-P173 WeakPolarHBondContact O-CD 3.4Å |
| 172 | N | 90.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | trans | -119.2 | 50 | -171.4 | -52.1 | -51.1 | 0 | 0 | 0 | 114.5 | F110 D111 | F110-N172 CarbonylContact O-C 3.46Å; D111-N172 PolarHBondContact O-ND2 2.97Å | ||
| 173 | P | 94 | Very high | 94.7 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | trans | -64.7 | 138.8 | 176 | 29.5 | -34.9 | 0 | 0 | 0 | 111.7 | F110 P168 S171 F178 | F110-P173 HydrophobicContact CB-CB 4.21Å; F110-P173 HydrophobicContact CD1-CB 3.68Å; F110-P173 HydrophobicContact CE1-CB 4.29Å; F110-P173 HydrophobicContact CG-CB 4.1Å; P168-P173 HydrophobicContact CB-CG 4.41Å; P168-P173 HydrophobicContact CG-CG 4.46Å; S171-P173 WeakPolarHBondContact O-CD 3.4Å; P173-F178 HydrophobicContact CB-CE2 3.87Å; P173-F178 HydrophobicContact CB-CZ 4.04Å; P173-F178 HydrophobicContact CG-CE2 3.82Å; P173-F178 HydrophobicContact CG-CZ 4.16Å | ||
| 174 | D | 94 | Very high | 94.7 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -83.6 | -60 | -175.8 | -66.5 | -78.5 | 0 | 0 | 0 | 112.5 | D114 | D114-D174 HydrophobicContact CB-CB 4.18Å; D114-D174 WeakPolarHBondContact CB-OD2 3.23Å; D114-D174 PolarHBondContact N-OD2 3.1Å; D114-D174 PolarHBondContact OD1-N 3.07Å; D114-D174 WeakPolarHBondContact OD2-CB 3.12Å |
| 175 | N | 94.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 45.5 Ų | 45.5 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -133 | -8.2 | -173 | -69.8 | -96.8 | 0 | 0 | 0 | 113.4 | D114 T138 | D114-N175 PolarHBondContact OD2-N 2.9Å; T138-N175 HydrophobicContact CG2-CB 3.85Å |
| 176 | V | 97.2 | Very high | 95 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | trans | -64.6 | 135.8 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | F110 D114 I133 T135 T138 V140 F178 | F110-V176 HydrophobicContact CE1-CB 4.08Å; F110-V176 HydrophobicContact CE1-CG1 4.09Å; F110-V176 HydrophobicContact CE1-CG2 4.15Å; F110-V176 HydrophobicContact CZ-CG1 4.27Å; D114-V176 PolarHBondContact OD2-N 2.93Å; I133-V176 HydrophobicContact CB-CG1 3.73Å; I133-V176 HydrophobicContact CD1-CG1 4.27Å; I133-V176 HydrophobicContact CG1-CG1 4.42Å; I133-V176 HydrophobicContact CG2-CG1 4.26Å; T135-V176 HydrophobicContact CG2-CG1 4.45Å; T135-V176 HydrophobicContact CG2-CG2 4.22Å; T138-V176 HydrophobicContact CG2-CG2 4.04Å; V140-V176 HydrophobicContact CG2-CG2 3.5Å; V140-V176 VanDerWaalsContact CG2-CG2 3.5Å; V176-F178 HydrophobicContact CB-CE2 4.35Å; V176-F178 HydrophobicContact CG1-CE2 3.96Å; V176-F178 HydrophobicContact CG1-CZ 3.94Å; V176-F178 WeakPolarHBondContact O-CE2 3.17Å | ||
| 177 | T | 97.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.2 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 112 | I133 E134 | I133-T177 CarbonylContact C-O 3.56Å; I133-T177 VanDerWaalsContact CA-O 3.3Å; I133-T177 WeakPolarHBondContact CA-O 3.46Å; E134-T177 PolarHBondContact N-O 2.95Å; E134-T177 PolarHBondContact O-N 3.4Å |
| 178 | F | 97.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.9 | -165 | -60.3 | -105.4 | 0 | 0 | 0 | 111.2 | F110 I133 V163 T167 P168 P173 V176 | F110-F178 HydrophobicContact CD2-CZ 4.4Å; F110-F178 HydrophobicContact CE1-CZ 4.08Å; F110-F178 HydrophobicContact CE2-CE1 4.03Å; F110-F178 AromaticContact CE2-CZ 3.96Å; F110-F178 HydrophobicContact CE2-CZ 3.96Å; F110-F178 HydrophobicContact CZ-CE1 4.08Å; F110-F178 AromaticContact CZ-CZ 3.78Å; F110-F178 HydrophobicContact CZ-CZ 3.78Å; I133-F178 HydrophobicContact CG2-CD1 3.54Å; I133-F178 HydrophobicContact CG2-CE1 3.53Å; I133-F178 HydrophobicContact CG2-CG 4.35Å; I133-F178 HydrophobicContact CG2-CZ 4.35Å; V163-F178 HydrophobicContact CG1-CD1 3.81Å; V163-F178 HydrophobicContact CG1-CE1 3.73Å; T167-F178 VanDerWaalsContact CB-CE1 3.46Å; T167-F178 HydrophobicContact CG2-CD1 4.41Å; T167-F178 HydrophobicContact CG2-CE1 3.52Å; T167-F178 HydrophobicContact CG2-CE2 4.37Å; T167-F178 HydrophobicContact CG2-CZ 3.51Å; P168-F178 HydrophobicContact CG-CD2 3.44Å; P168-F178 VanDerWaalsContact CG-CD2 3.44Å; P168-F178 HydrophobicContact CG-CE2 3.85Å; P168-F178 HydrophobicContact CG-CG 4.1Å; P173-F178 HydrophobicContact CB-CE2 3.87Å; P173-F178 HydrophobicContact CB-CZ 4.04Å; P173-F178 HydrophobicContact CG-CE2 3.82Å; P173-F178 HydrophobicContact CG-CZ 4.16Å; V176-F178 HydrophobicContact CB-CE2 4.35Å; V176-F178 HydrophobicContact CG1-CE2 3.96Å; V176-F178 HydrophobicContact CG1-CZ 3.94Å; V176-F178 WeakPolarHBondContact O-CE2 3.17Å |
| 179 | E | 98 | Very high | 95.7 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | trans | -97 | 149.3 | 176.1 | -172.2 | -177.2 | -177.5 | 0 | 0 | 110.6 | N132 E181 A184 R187 | N132-E179 HydrophobicContact CB-CB 4.37Å; N132-E179 PolarHBondContact ND2-O 3.46Å; N132-E179 PolarHBondContact O-N 2.83Å; E179-E181 PolarHBondContact O-N 2.79Å; E179-A184 HydrophobicContact CB-CB 4.29Å; E179-A184 HydrophobicContact CG-CB 4.11Å; E179-A184 WeakPolarHBondContact OE2-CB 3.13Å; E179-R187 IonicContact OE1-NE 2.79Å; E179-R187 IonicContact OE1-NH2 2.68Å; E179-R187 IonicContact OE2-CZ 3.4Å; E179-R187 IonicContact OE2-NE 3.24Å; E179-R187 IonicContact OE2-NH2 2.78Å; E179-R187 PolarHBondContact OE2-NH2 3.47Å | ||
| 180 | D | 98 | Very high | 96.1 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | trans | -52.8 | 129.8 | 169.4 | 159.2 | -92.2 | 0 | 0 | 0 | 109.7 | V182 T183 A184 K213 | D180-V182 VanDerWaalsContact C-N 3.29Å; D180-V182 PolarHBondContact O-N 2.68Å; D180-V182 PolarHBondContact OD1-N 3.26Å; D180-T183 WeakPolarHBondContact O-CB 3.27Å; D180-T183 PolarHBondContact O-N 3.07Å; D180-T183 VanDerWaalsContact OD1-CB 3.3Å; D180-T183 WeakPolarHBondContact OD1-CB 3.47Å; D180-T183 PolarHBondContact OD1-N 2.72Å; D180-T183 PolarHBondContact OD1-OG1 3.4Å; D180-A184 PolarHBondContact O-N 3.31Å; D180-K213 IonicContact OD2-NZ 2.69Å; D180-K213 PolarHBondContact OD2-NZ 2.92Å | ||
| 181 | E | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -165.5 | -40.5 | 87 | 168.4 | 0 | 0 | 109.9 | C162 A165 E179 T183 L185 T210 K213 I214 | C162-E181 HydrophobicContact CB-CB 4.33Å; A165-E181 PolarHBondContact N-OE1 3.15Å; E179-E181 PolarHBondContact O-N 2.79Å; E181-T183 VanDerWaalsContact C-N 3.3Å; E181-T183 PolarHBondContact O-N 2.56Å; E181-L185 HydrophobicContact CB-CD1 4.36Å; E181-L185 WeakPolarHBondContact O-CB 3.24Å; E181-L185 WeakPolarHBondContact O-CD1 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.12Å; E181-L185 PolarHBondContact O-N 2.87Å; E181-T210 HydrophobicContact CG-CG2 4.38Å; E181-K213 IonicContact OE2-NZ 3.06Å; E181-K213 PolarHBondContact OE2-NZ 2.96Å; E181-K213 VanDerWaalsContact OE2-NZ 3.17Å; E181-I214 HydrophobicContact CB-CD1 4.25Å |
| 182 | V | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | D180 K186 K213 I214 | D180-V182 VanDerWaalsContact C-N 3.29Å; D180-V182 PolarHBondContact O-N 2.68Å; D180-V182 PolarHBondContact OD1-N 3.26Å; V182-K186 HydrophobicContact CG1-CD 3.91Å; V182-K186 VanDerWaalsContact CG1-CE 3.43Å; V182-K186 VanDerWaalsContact CG1-NZ 3.25Å; V182-K186 VanDerWaalsContact O-CB 3.25Å; V182-K186 WeakPolarHBondContact O-CB 3.29Å; V182-K186 WeakPolarHBondContact O-CD 3.15Å; V182-K186 WeakPolarHBondContact O-CG 3.01Å; V182-K186 PolarHBondContact O-N 2.89Å; V182-K213 HydrophobicContact CG2-CD 3.82Å; V182-K213 HydrophobicContact CG2-CG 3.92Å; V182-I214 HydrophobicContact CG2-CG1 3.76Å |
| 183 | T | 98 | Very high | 97.2 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.6 | -50 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | D180 E181 L185 K186 R187 | D180-T183 WeakPolarHBondContact O-CB 3.27Å; D180-T183 PolarHBondContact O-N 3.07Å; D180-T183 VanDerWaalsContact OD1-CB 3.3Å; D180-T183 WeakPolarHBondContact OD1-CB 3.47Å; D180-T183 PolarHBondContact OD1-N 2.72Å; D180-T183 PolarHBondContact OD1-OG1 3.4Å; E181-T183 VanDerWaalsContact C-N 3.3Å; E181-T183 PolarHBondContact O-N 2.56Å; T183-L185 PolarHBondContact O-N 3.5Å; T183-K186 PolarHBondContact O-N 2.89Å; T183-R187 WeakPolarHBondContact O-CB 3.24Å; T183-R187 PolarHBondContact O-N 3.46Å; T183-R187 VanDerWaalsContact O-N 3.08Å |
| 184 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N132 E179 D180 R187 H188 | N132-A184 HydrophobicContact CB-CB 3.45Å; N132-A184 VanDerWaalsContact CB-CB 3.45Å; E179-A184 HydrophobicContact CB-CB 4.29Å; E179-A184 HydrophobicContact CG-CB 4.11Å; E179-A184 WeakPolarHBondContact OE2-CB 3.13Å; D180-A184 PolarHBondContact O-N 3.31Å; A184-R187 WeakPolarHBondContact O-CB 3.37Å; A184-R187 PolarHBondContact O-N 3.5Å; A184-H188 PolarHBondContact O-N 3.41Å |
| 185 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | -178.1 | -68.1 | 169.7 | 0 | 0 | 0 | 112.3 | L160 C162 E181 T183 R187 T189 L202 I214 T218 I221 | L160-L185 HydrophobicContact CB-CD2 4.19Å; L160-L185 HydrophobicContact CD1-CD2 3.97Å; C162-L185 HydrophobicContact CB-CD1 4.32Å; E181-L185 HydrophobicContact CB-CD1 4.36Å; E181-L185 WeakPolarHBondContact O-CB 3.24Å; E181-L185 WeakPolarHBondContact O-CD1 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.12Å; E181-L185 PolarHBondContact O-N 2.87Å; T183-L185 PolarHBondContact O-N 3.5Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-T189 WeakPolarHBondContact O-CA 3.32Å; L185-T189 WeakPolarHBondContact O-CB 3.21Å; L185-T189 PolarHBondContact O-N 3.03Å; L185-T189 PolarHBondContact O-OG1 3.22Å; L185-L202 HydrophobicContact CD1-CD1 4.25Å; L185-L202 HydrophobicContact CD1-CD2 3.58Å; L185-L202 HydrophobicContact CD2-CD1 3.58Å; L185-L202 HydrophobicContact CD2-CD2 4.31Å; L185-I214 HydrophobicContact CD1-CD1 3.68Å; L185-I214 HydrophobicContact CD1-CG1 4.02Å; L185-I214 HydrophobicContact CD1-CG2 3.93Å; L185-T218 HydrophobicContact CB-CG2 4.19Å; L185-I221 HydrophobicContact CB-CD1 4.35Å; L185-I221 HydrophobicContact CD1-CD1 4.39Å |
| 186 | K | 97.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 170.3 | -81.4 | 167.6 | -179.3 | 167.7 | 0 | 111.2 | V182 T183 N190 S217 T218 | V182-K186 HydrophobicContact CG1-CD 3.91Å; V182-K186 VanDerWaalsContact CG1-CE 3.43Å; V182-K186 VanDerWaalsContact CG1-NZ 3.25Å; V182-K186 VanDerWaalsContact O-CB 3.25Å; V182-K186 WeakPolarHBondContact O-CB 3.29Å; V182-K186 WeakPolarHBondContact O-CD 3.15Å; V182-K186 WeakPolarHBondContact O-CG 3.01Å; V182-K186 PolarHBondContact O-N 2.89Å; T183-K186 PolarHBondContact O-N 2.89Å; K186-N190 VanDerWaalsContact O-CB 3.24Å; K186-N190 WeakPolarHBondContact O-CB 3.48Å; K186-N190 PolarHBondContact O-N 3.2Å; K186-N190 PolarHBondContact O-ND2 3.11Å; K186-N190 VanDerWaalsContact O-ND2 3.13Å; K186-S217 WeakPolarHBondContact CE-O 3.15Å; K186-T218 HydrophobicContact CG-CG2 3.98Å |
| 187 | R | 98.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 54.2 Ų | 54.2 | 48% | 0.475 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 179.9 | -179.5 | 162.9 | 65.7 | 100.1 | -7.6 | 111.5 | E179 T183 A184 L185 R191 | E179-R187 IonicContact OE1-NE 2.79Å; E179-R187 IonicContact OE1-NH2 2.68Å; E179-R187 IonicContact OE2-CZ 3.4Å; E179-R187 IonicContact OE2-NE 3.24Å; E179-R187 IonicContact OE2-NH2 2.78Å; E179-R187 PolarHBondContact OE2-NH2 3.47Å; T183-R187 WeakPolarHBondContact O-CB 3.24Å; T183-R187 PolarHBondContact O-N 3.46Å; T183-R187 VanDerWaalsContact O-N 3.08Å; A184-R187 WeakPolarHBondContact O-CB 3.37Å; A184-R187 PolarHBondContact O-N 3.5Å; L185-R187 VanDerWaalsContact C-N 3.35Å; R187-R191 PolarHBondContact O-N 3.32Å |
| 188 | H | 98.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.2 | -43.9 | 179.2 | -80.9 | -105.6 | 0 | 0 | 0 | 113.7 | T131 E147 L160 A184 N190 R191 L192 | T131-H188 HydrophobicContact CG2-CB 3.76Å; T131-H188 VanDerWaalsContact CG2-CD2 3.42Å; T131-H188 WeakPolarHBondContact CG2-CD2 3.46Å; E147-H188 IonicContact OE2-CE1 2.7Å; E147-H188 IonicContact OE2-CG 3.66Å; E147-H188 IonicContact OE2-ND1 2.73Å; E147-H188 PolarHBondContact OE2-ND1 2.57Å; L160-H188 HydrophobicContact CD1-CB 4.31Å; L160-H188 HydrophobicContact CD2-CB 3.99Å; A184-H188 PolarHBondContact O-N 3.41Å; H188-N190 VanDerWaalsContact C-N 3.33Å; H188-N190 PolarHBondContact O-N 3.28Å; H188-R191 PolarHBondContact ND1-NH2 2.76Å; H188-R191 PolarHBondContact O-N 2.86Å; H188-L192 WeakPolarHBondContact O-CG 3.27Å; H188-L192 PolarHBondContact O-N 3.36Å |
| 189 | T | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | L185 R191 L192 R193 I200 G220 I221 | L185-T189 WeakPolarHBondContact O-CA 3.32Å; L185-T189 WeakPolarHBondContact O-CB 3.21Å; L185-T189 PolarHBondContact O-N 3.03Å; L185-T189 PolarHBondContact O-OG1 3.22Å; T189-R191 PolarHBondContact O-N 2.72Å; T189-L192 PolarHBondContact O-N 3.26Å; T189-R193 HydrophobicContact CG2-CG 4.33Å; T189-R193 WeakPolarHBondContact O-CB 3.17Å; T189-R193 VanDerWaalsContact O-CG 3.26Å; T189-R193 WeakPolarHBondContact O-CG 3.32Å; T189-R193 PolarHBondContact O-N 3.12Å; T189-I200 HydrophobicContact CG2-CD1 4.09Å; T189-G220 VanDerWaalsContact CG2-C 3.48Å; T189-I221 HydrophobicContact CG2-CG1 4.33Å |
| 190 | N | 96.9 | Very high | 97.3 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 179.2 | -74.6 | -25.9 | 0 | 0 | 0 | 112.4 | K186 H188 H194 | K186-N190 VanDerWaalsContact O-CB 3.24Å; K186-N190 WeakPolarHBondContact O-CB 3.48Å; K186-N190 PolarHBondContact O-N 3.2Å; K186-N190 PolarHBondContact O-ND2 3.11Å; K186-N190 VanDerWaalsContact O-ND2 3.13Å; H188-N190 VanDerWaalsContact C-N 3.33Å; H188-N190 PolarHBondContact O-N 3.28Å; N190-H194 WeakPolarHBondContact O-CB 3.31Å; N190-H194 PolarHBondContact O-N 3.39Å |
| 191 | R | 98.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 48.9 Ų | 48.9 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -51.5 | 174.4 | -179.6 | 176.8 | 54.3 | 68.3 | 0.7 | 111.2 | E147 R187 H188 T189 R193 H194 D195 | E147-R191 IonicContact OE1-CZ 2.68Å; E147-R191 VanDerWaalsContact OE1-CZ 3.3Å; E147-R191 IonicContact OE1-NH1 2.75Å; E147-R191 PolarHBondContact OE1-NH1 3.32Å; E147-R191 IonicContact OE1-NH2 3.76Å; E147-R191 PolarHBondContact OE1-NH2 2.94Å; E147-R191 IonicContact OE2-CZ 3.35Å; E147-R191 IonicContact OE2-NH1 2.6Å; E147-R191 IonicContact OE2-NH2 3.66Å; E147-R191 PolarHBondContact OE2-NH2 2.84Å; R187-R191 PolarHBondContact O-N 3.32Å; H188-R191 PolarHBondContact ND1-NH2 2.76Å; H188-R191 PolarHBondContact O-N 2.86Å; T189-R191 PolarHBondContact O-N 2.72Å; R191-R193 PolarHBondContact O-N 2.88Å; R191-H194 CarbonylContact O-C 3.43Å; R191-H194 WeakPolarHBondContact O-CA 3.35Å; R191-H194 WeakPolarHBondContact O-CB 3.48Å; R191-H194 PolarHBondContact O-N 3.49Å; R191-D195 VanDerWaalsContact CG-OD2 3.29Å; R191-D195 WeakPolarHBondContact CG-OD2 3.47Å; R191-D195 IonicContact NH1-OD2 3.72Å; R191-D195 PolarHBondContact NH1-OD2 3.42Å; R191-D195 VanDerWaalsContact NH1-OD2 3.09Å; R191-D195 VanDerWaalsContact O-CG 3.25Å; R191-D195 PolarHBondContact O-N 2.9Å |
| 192 | L | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -38.2 | 179.7 | -73.4 | 168 | 0 | 0 | 0 | 112.3 | E147 I149 A158 L160 H188 T189 D195 G196 I197 I200 | E147-L192 WeakPolarHBondContact OE1-CD2 3.22Å; I149-L192 HydrophobicContact CD1-CD2 3.8Å; A158-L192 HydrophobicContact CB-CD1 3.85Å; A158-L192 HydrophobicContact CB-CD2 4.1Å; L160-L192 HydrophobicContact CD1-CD1 4.16Å; L160-L192 HydrophobicContact CD2-CD1 3.76Å; L160-L192 HydrophobicContact CG-CD1 4.06Å; H188-L192 WeakPolarHBondContact O-CG 3.27Å; H188-L192 PolarHBondContact O-N 3.36Å; T189-L192 PolarHBondContact O-N 3.26Å; L192-D195 PolarHBondContact O-N 3.33Å; L192-G196 PolarHBondContact O-N 2.83Å; L192-I197 HydrophobicContact CB-CB 4.29Å; L192-I197 HydrophobicContact CB-CG1 4.28Å; L192-I197 HydrophobicContact CD2-CG1 3.98Å; L192-I197 WeakPolarHBondContact O-CB 3.5Å; L192-I197 WeakPolarHBondContact O-CG1 3.47Å; L192-I197 PolarHBondContact O-N 3.47Å; L192-I200 HydrophobicContact CB-CD1 3.7Å; L192-I200 HydrophobicContact CD1-CD1 4.25Å |
| 193 | R | 95.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 48 Ų | 48 | 23% | 0.226 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -34.4 | 173.7 | -67.2 | -53.8 | -173.5 | 172.1 | 0.1 | 113.3 | T189 R191 G196 I197 K198 I200 G220 D222 | T189-R193 HydrophobicContact CG2-CG 4.33Å; T189-R193 WeakPolarHBondContact O-CB 3.17Å; T189-R193 VanDerWaalsContact O-CG 3.26Å; T189-R193 WeakPolarHBondContact O-CG 3.32Å; T189-R193 PolarHBondContact O-N 3.12Å; R191-R193 PolarHBondContact O-N 2.88Å; R193-G196 PolarHBondContact O-N 3.28Å; R193-I197 VanDerWaalsContact CD-O 3.29Å; R193-I197 WeakPolarHBondContact CD-O 3.45Å; R193-I197 PolarHBondContact NH1-O 2.68Å; R193-K198 PolarHBondContact NH1-O 3.23Å; R193-I200 HydrophobicContact CG-CD1 4Å; R193-G220 VanDerWaalsContact CZ-O 3.25Å; R193-G220 PolarHBondContact NE-O 3.19Å; R193-G220 PolarHBondContact NH2-O 3.16Å; R193-D222 IonicContact CZ-OD2 3.25Å; R193-D222 VanDerWaalsContact NH2-CG 3.29Å; R193-D222 IonicContact NH2-OD1 2.72Å; R193-D222 PolarHBondContact NH2-OD1 2.91Å; R193-D222 IonicContact NH2-OD2 2.77Å; R193-D222 PolarHBondContact NH2-OD2 2.84Å |
| 194 | H | 96.5 | Very high | 97.4 | Very high | 168 Ų | 168 | 44.4 Ų | 44.4 | 78% | 0.778 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.9 | -41.8 | 172.2 | -172 | 85 | 0 | 0 | 0 | 111.8 | N190 R191 G196 | N190-H194 WeakPolarHBondContact O-CB 3.31Å; N190-H194 PolarHBondContact O-N 3.39Å; R191-H194 CarbonylContact O-C 3.43Å; R191-H194 WeakPolarHBondContact O-CA 3.35Å; R191-H194 WeakPolarHBondContact O-CB 3.48Å; R191-H194 PolarHBondContact O-N 3.49Å; H194-G196 PolarHBondContact O-N 3.25Å |
| 195 | D | 96.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 3.3 | 175.4 | -59.5 | -15.6 | 0 | 0 | 0 | 112.9 | R191 L192 | R191-D195 VanDerWaalsContact CG-OD2 3.29Å; R191-D195 WeakPolarHBondContact CG-OD2 3.47Å; R191-D195 IonicContact NH1-OD2 3.72Å; R191-D195 PolarHBondContact NH1-OD2 3.42Å; R191-D195 VanDerWaalsContact NH1-OD2 3.09Å; R191-D195 VanDerWaalsContact O-CG 3.25Å; R191-D195 PolarHBondContact O-N 2.9Å; L192-D195 PolarHBondContact O-N 3.33Å |
| 196 | G | 95.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 8.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | L192 R193 H194 K198 | L192-G196 PolarHBondContact O-N 2.83Å; R193-G196 PolarHBondContact O-N 3.28Å; H194-G196 PolarHBondContact O-N 3.25Å; G196-K198 PolarHBondContact O-N 3.46Å |
| 197 | I | 97.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | trans | -66.3 | 125.9 | 179 | -58.1 | -61.3 | 0 | 0 | 0 | 110.8 | I149 K156 A158 L192 R193 I199 I200 | I149-I197 HydrophobicContact CD1-CD1 4.09Å; I149-I197 HydrophobicContact CD1-CG1 4.37Å; I149-I197 HydrophobicContact CG2-CD1 4.32Å; K156-I197 HydrophobicContact CB-CD1 3.92Å; K156-I197 HydrophobicContact CD-CD1 4.43Å; A158-I197 HydrophobicContact CB-CG2 3.82Å; L192-I197 HydrophobicContact CB-CB 4.29Å; L192-I197 HydrophobicContact CB-CG1 4.28Å; L192-I197 HydrophobicContact CD2-CG1 3.98Å; L192-I197 WeakPolarHBondContact O-CB 3.5Å; L192-I197 WeakPolarHBondContact O-CG1 3.47Å; L192-I197 PolarHBondContact O-N 3.47Å; R193-I197 VanDerWaalsContact CD-O 3.29Å; R193-I197 WeakPolarHBondContact CD-O 3.45Å; R193-I197 PolarHBondContact NH1-O 2.68Å; I197-I199 WeakPolarHBondContact CG2-O 3.41Å; I197-I200 HydrophobicContact CG2-CG1 3.91Å | ||
| 198 | K | 94.4 | Very high | 96.3 | Very high | 115 Ų | 115 | 35 Ų | 35 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | trans | -94.3 | -23.4 | -172.1 | -72.9 | -172 | -179.2 | 179.2 | 0 | 114.1 | R193 G196 R257 S280 G282 | R193-K198 PolarHBondContact NH1-O 3.23Å; G196-K198 PolarHBondContact O-N 3.46Å; K198-R257 PolarHBondContact O-NH2 3.43Å; K198-S280 PolarHBondContact NZ-O 2.81Å; K198-G282 WeakPolarHBondContact O-CA 3.46Å; K198-G282 VanDerWaalsContact O-O 3.1Å | ||
| 199 | I | 96.6 | Very high | 96 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128 | -179.3 | -58.1 | 174 | 0 | 0 | 0 | 108.4 | V157 A158 I197 D222 F278 | V157-I199 HydrophobicContact CG1-CB 4.48Å; V157-I199 HydrophobicContact CG1-CG2 4.02Å; V157-I199 HydrophobicContact CG2-CB 4.14Å; V157-I199 HydrophobicContact CG2-CD1 4.21Å; V157-I199 HydrophobicContact CG2-CG2 4.18Å; A158-I199 PolarHBondContact N-O 3.24Å; I197-I199 WeakPolarHBondContact CG2-O 3.41Å; I199-D222 WeakPolarHBondContact CA-OD2 3.37Å; I199-F278 HydrophobicContact CB-CE1 4.32Å; I199-F278 HydrophobicContact CD1-CB 4.1Å; I199-F278 HydrophobicContact CD1-CD1 3.86Å; I199-F278 HydrophobicContact CD1-CD2 3.82Å; I199-F278 HydrophobicContact CD1-CE1 4.13Å; I199-F278 HydrophobicContact CD1-CE2 4.14Å; I199-F278 HydrophobicContact CD1-CG 3.67Å; I199-F278 HydrophobicContact CD1-CZ 4.27Å; I199-F278 HydrophobicContact CG1-CD1 3.79Å; I199-F278 HydrophobicContact CG1-CE1 3.88Å; I199-F278 HydrophobicContact CG1-CG 4.14Å; I199-F278 HydrophobicContact CG1-CZ 4.35Å; I199-F278 HydrophobicContact CG2-CD1 4.41Å; I199-F278 HydrophobicContact CG2-CE1 3.64Å; I199-F278 HydrophobicContact CG2-CE2 4.19Å; I199-F278 HydrophobicContact CG2-CZ 3.52Å |
| 200 | I | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.8 | 177.6 | -56.6 | -175.6 | 0 | 0 | 0 | 109.6 | A158 L160 T189 L192 R193 I197 I221 D222 I223 | A158-I200 HydrophobicContact CB-CG1 4.29Å; A158-I200 WeakPolarHBondContact O-CA 3.27Å; L160-I200 HydrophobicContact CD1-CG2 3.99Å; L160-I200 HydrophobicContact CG-CG2 4.3Å; T189-I200 HydrophobicContact CG2-CD1 4.09Å; L192-I200 HydrophobicContact CB-CD1 3.7Å; L192-I200 HydrophobicContact CD1-CD1 4.25Å; R193-I200 HydrophobicContact CG-CD1 4Å; I197-I200 HydrophobicContact CG2-CG1 3.91Å; I200-I221 HydrophobicContact CG2-CG1 4.44Å; I200-D222 PolarHBondContact N-OD2 2.94Å; I200-D222 VanDerWaalsContact N-OD2 3.17Å; I200-D222 PolarHBondContact O-N 3.32Å; I200-I223 PolarHBondContact O-N 2.96Å |
| 201 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.3 | 173.8 | -57.6 | 169.9 | 0 | 0 | 0 | 108.2 | L2 L4 L69 L71 V157 A158 I159 L160 I223 V225 | L2-I201 HydrophobicContact CD2-CD1 4.09Å; L4-I201 HydrophobicContact CD1-CD1 4.11Å; L4-I201 HydrophobicContact CD1-CG2 4.37Å; L4-I201 HydrophobicContact CD2-CD1 3.73Å; L69-I201 HydrophobicContact CD1-CD1 3.92Å; L71-I201 HydrophobicContact CD1-CG2 4.31Å; V157-I201 HydrophobicContact CG1-CD1 3.68Å; V157-I201 HydrophobicContact CG1-CG1 4.12Å; A158-I201 PolarHBondContact O-N 2.65Å; I159-I201 WeakPolarHBondContact CA-O 3.32Å; L160-I201 PolarHBondContact N-O 2.66Å; I201-I223 CarbonylContact C-O 2.74Å; I201-I223 WeakPolarHBondContact CA-O 3.44Å; I201-V225 HydrophobicContact CG2-CG2 4.28Å |
| 202 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.8 | 168.8 | 175.8 | 61.4 | 0 | 0 | 0 | 110 | L160 C162 L185 I214 I221 I223 I224 V225 | L160-L202 HydrophobicContact CB-CD1 3.93Å; L160-L202 WeakPolarHBondContact O-CA 3.3Å; C162-L202 HydrophobicContact CB-CD1 4.38Å; L185-L202 HydrophobicContact CD1-CD1 4.25Å; L185-L202 HydrophobicContact CD1-CD2 3.58Å; L185-L202 HydrophobicContact CD2-CD1 3.58Å; L185-L202 HydrophobicContact CD2-CD2 4.31Å; L202-I214 HydrophobicContact CD2-CD1 4.19Å; L202-I214 HydrophobicContact CD2-CG2 4.08Å; L202-I221 HydrophobicContact CB-CG2 4.11Å; L202-I221 HydrophobicContact CD2-CD1 4.17Å; L202-I223 PolarHBondContact N-O 3.44Å; L202-I224 HydrophobicContact CB-CG1 4.23Å; L202-I224 HydrophobicContact CB-CG2 4.39Å; L202-I224 HydrophobicContact CD2-CD1 4.17Å; L202-I224 HydrophobicContact CD2-CG1 4.13Å; L202-I224 HydrophobicContact CD2-CG2 4.06Å; L202-I224 HydrophobicContact CG-CG2 4.26Å; L202-I224 CarbonylContact O-C 3.49Å; L202-I224 WeakPolarHBondContact O-CA 3.29Å; L202-V225 PolarHBondContact O-N 3.14Å |
| 203 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.7 | 160.5 | -48.7 | -178 | 0 | 0 | 0 | 107.2 | L71 A102 T104 V129 I159 L160 G161 C162 V225 | L71-L203 HydrophobicContact CB-CD2 3.8Å; L71-L203 HydrophobicContact CD1-CD2 4Å; L71-L203 HydrophobicContact CD2-CD2 4.3Å; L71-L203 HydrophobicContact CG-CD2 4.24Å; A102-L203 HydrophobicContact CB-CD1 4.07Å; T104-L203 HydrophobicContact CG2-CB 3.77Å; V129-L203 HydrophobicContact CG1-CD1 4.04Å; I159-L203 HydrophobicContact CG2-CD1 3.95Å; I159-L203 HydrophobicContact CG2-CD2 4.34Å; I159-L203 HydrophobicContact CG2-CG 3.82Å; L160-L203 PolarHBondContact O-N 2.81Å; G161-L203 CarbonylContact C-O 3.58Å; G161-L203 WeakPolarHBondContact CA-O 3.49Å; C162-L203 PolarHBondContact N-O 3.2Å; L203-V225 CarbonylContact C-O 3.52Å; L203-V225 HydrophobicContact CD2-CB 3.95Å; L203-V225 HydrophobicContact CD2-CG2 4.07Å |
| 204 | S | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.8 | -173.1 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | C162 S206 D211 V225 G226 G227 | C162-S204 PolarHBondContact SG-OG 3.07Å; S204-S206 WeakPolarHBondContact OG-CB 3.25Å; S204-S206 PolarHBondContact OG-N 3.29Å; S204-S206 PolarHBondContact OG-OG 2.96Å; S204-D211 WeakPolarHBondContact CB-OD1 3.15Å; S204-D211 PolarHBondContact OG-OD1 3.31Å; S204-V225 PolarHBondContact N-O 2.85Å; S204-G226 CarbonylContact O-C 3.49Å; S204-G226 WeakPolarHBondContact O-CA 3.01Å; S204-G227 PolarHBondContact O-N 3Å |
| 205 | H | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 44.4 | 166.3 | -153.3 | 98.1 | 0 | 0 | 0 | 110.9 | S9 A73 D75 T104 G106 C162 V163 T164 H228 | S9-H205 VanDerWaalsContact CB-CE1 3.47Å; S9-H205 WeakPolarHBondContact CB-CE1 3.34Å; S9-H205 PolarHBondContact OG-CE1 2.86Å; A73-H205 WeakPolarHBondContact O-CB 3.42Å; A73-H205 PolarHBondContact O-ND1 2.98Å; D75-H205 IonicContact OD1-CE1 3.22Å; D75-H205 PolarHBondContact OD1-CE1 3.38Å; D75-H205 IonicContact OD1-NE2 2.86Å; D75-H205 PolarHBondContact OD1-NE2 3.26Å; D75-H205 IonicContact OD2-CE1 2.8Å; D75-H205 PolarHBondContact OD2-CE1 3.01Å; D75-H205 IonicContact OD2-NE2 3.92Å; D75-H205 PolarHBondContact OD2-NE2 3.44Å; D75-H205 VanDerWaalsContact OD2-NE2 3.12Å; T104-H205 HydrophobicContact CG2-CB 4.26Å; G106-H205 WeakPolarHBondContact CA-CD2 3.5Å; G106-H205 WeakPolarHBondContact CA-ND1 3.3Å; C162-H205 PolarHBondContact O-N 2.7Å; V163-H205 CarbonylContact C-O 3.54Å; V163-H205 HydrophobicContact CB-CB 4.39Å; V163-H205 HydrophobicContact CG2-CB 4.2Å; T164-H205 PolarHBondContact N-O 3Å; H205-H228 VanDerWaalsContact CD2-CB 3.48Å; H205-H228 WeakPolarHBondContact CD2-CB 3.48Å; H205-H228 AromaticContact CD2-CG 3.75Å; H205-H228 AromaticContact CD2-ND1 3.44Å; H205-H228 PolarHBondContact CD2-ND1 2.75Å; H205-H228 AromaticContact NE2-CG 3.79Å; H205-H228 AromaticContact NE2-ND1 3.32Å; H205-H228 PolarHBondContact NE2-ND1 2.92Å |
| 206 | S | 95 | Very high | 95.3 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -115.2 | -5.1 | -176.1 | -48.2 | 0 | 0 | 0 | 0 | 113.5 | C162 S204 T210 | C162-S206 PolarHBondContact SG-OG 3.05Å; S204-S206 WeakPolarHBondContact OG-CB 3.25Å; S204-S206 PolarHBondContact OG-N 3.29Å; S204-S206 PolarHBondContact OG-OG 2.96Å; S206-T210 WeakPolarHBondContact O-CB 3.5Å; S206-T210 PolarHBondContact O-OG1 2.96Å |
| 207 | G | 90.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | 85.8 | 155.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E209 T210 D211 | G207-E209 VanDerWaalsContact C-N 3.34Å; G207-E209 PolarHBondContact O-N 2.99Å; G207-T210 CarbonylContact O-C 3.52Å; G207-T210 WeakPolarHBondContact O-CA 3.11Å; G207-T210 WeakPolarHBondContact O-CB 3.43Å; G207-T210 PolarHBondContact O-N 2.93Å; G207-D211 PolarHBondContact O-N 2.93Å | ||
| 208 | I | 88.9 | Confident | 95 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.2 | -40 | -168.3 | -169.8 | 63.6 | 0 | 0 | 0 | 113.9 | T210 D211 R212 T229 T231 L233 V261 T263 | I208-T210 VanDerWaalsContact C-N 3.31Å; I208-T210 PolarHBondContact O-N 2.83Å; I208-D211 PolarHBondContact O-N 2.77Å; I208-R212 HydrophobicContact CD1-CG 4.47Å; I208-R212 HydrophobicContact CG1-CG 4.33Å; I208-R212 VanDerWaalsContact O-CB 3.25Å; I208-R212 WeakPolarHBondContact O-CB 3.5Å; I208-R212 WeakPolarHBondContact O-CD 2.92Å; I208-R212 WeakPolarHBondContact O-CG 3.25Å; I208-R212 PolarHBondContact O-N 3.22Å; I208-T229 WeakPolarHBondContact CB-OG1 3.44Å; I208-T229 HydrophobicContact CG2-CG2 4.49Å; I208-T229 WeakPolarHBondContact CG2-OG1 3.37Å; I208-T229 PolarHBondContact N-OG1 2.78Å; I208-T231 HydrophobicContact CB-CG2 4.43Å; I208-T231 HydrophobicContact CG1-CG2 4.19Å; I208-T231 HydrophobicContact CG2-CG2 4.42Å; I208-T231 WeakPolarHBondContact CG2-OG1 3.42Å; I208-L233 HydrophobicContact CD1-CD1 4.19Å; I208-V261 HydrophobicContact CD1-CG1 3.89Å; I208-T263 HydrophobicContact CD1-CG2 4.31Å |
| 209 | E | 91.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 22.8 Ų | 22.8 | 40% | 0.397 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 176.9 | -80.5 | -56.6 | 113.2 | 0 | 0 | 112.4 | G207 R212 K213 | G207-E209 VanDerWaalsContact C-N 3.34Å; G207-E209 PolarHBondContact O-N 2.99Å; E209-R212 WeakPolarHBondContact OE1-CD 3.45Å; E209-R212 IonicContact OE1-CZ 3.67Å; E209-R212 IonicContact OE1-NE 3.74Å; E209-R212 IonicContact OE1-NH1 3.75Å; E209-R212 PolarHBondContact OE1-NH1 3.24Å; E209-K213 VanDerWaalsContact O-CB 3.28Å; E209-K213 WeakPolarHBondContact O-CB 3.45Å; E209-K213 PolarHBondContact O-N 3.06Å |
| 210 | T | 93.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 22.8 Ų | 22.8 | 17% | 0.172 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.4 | -36.7 | 173.8 | -47.5 | 0 | 0 | 0 | 0 | 111.1 | E181 S206 G207 I208 K213 I214 | E181-T210 HydrophobicContact CG-CG2 4.38Å; S206-T210 WeakPolarHBondContact O-CB 3.5Å; S206-T210 PolarHBondContact O-OG1 2.96Å; G207-T210 CarbonylContact O-C 3.52Å; G207-T210 WeakPolarHBondContact O-CA 3.11Å; G207-T210 WeakPolarHBondContact O-CB 3.43Å; G207-T210 PolarHBondContact O-N 2.93Å; I208-T210 VanDerWaalsContact C-N 3.31Å; I208-T210 PolarHBondContact O-N 2.83Å; T210-K213 HydrophobicContact CG2-CD 4.19Å; T210-K213 CarbonylContact O-C 3.08Å; T210-K213 WeakPolarHBondContact O-CA 3.38Å; T210-K213 WeakPolarHBondContact O-CB 3.48Å; T210-K213 PolarHBondContact O-N 2.8Å; T210-I214 HydrophobicContact CG2-CD1 4.03Å; T210-I214 HydrophobicContact CG2-CG1 4.45Å; T210-I214 WeakPolarHBondContact O-CB 3.47Å; T210-I214 WeakPolarHBondContact O-CD1 3.19Å; T210-I214 WeakPolarHBondContact O-CG1 3.32Å; T210-I214 PolarHBondContact O-N 3.18Å |
| 211 | D | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 174.2 | -67.5 | -14.9 | 0 | 0 | 0 | 111.7 | S204 G207 I208 I214 C215 I224 G226 V261 | S204-D211 WeakPolarHBondContact CB-OD1 3.15Å; S204-D211 PolarHBondContact OG-OD1 3.31Å; G207-D211 PolarHBondContact O-N 2.93Å; I208-D211 PolarHBondContact O-N 2.77Å; D211-I214 PolarHBondContact O-N 3.35Å; D211-C215 PolarHBondContact O-N 3.35Å; D211-I224 HydrophobicContact CB-CD1 4.26Å; D211-I224 HydrophobicContact CB-CG2 4.16Å; D211-G226 WeakPolarHBondContact OD2-CA 3.41Å; D211-V261 HydrophobicContact CB-CG1 3.88Å; D211-V261 HydrophobicContact CB-CG2 4.5Å |
| 212 | R | 94.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 23 Ų | 23 | 9% | 0.087 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 169.1 | -71.5 | 169.3 | 169.8 | 165.6 | 5.1 | 110.6 | I208 E209 R216 E250 Y252 | I208-R212 HydrophobicContact CD1-CG 4.47Å; I208-R212 HydrophobicContact CG1-CG 4.33Å; I208-R212 VanDerWaalsContact O-CB 3.25Å; I208-R212 WeakPolarHBondContact O-CB 3.5Å; I208-R212 WeakPolarHBondContact O-CD 2.92Å; I208-R212 WeakPolarHBondContact O-CG 3.25Å; I208-R212 PolarHBondContact O-N 3.22Å; E209-R212 WeakPolarHBondContact OE1-CD 3.45Å; E209-R212 IonicContact OE1-CZ 3.67Å; E209-R212 IonicContact OE1-NE 3.74Å; E209-R212 IonicContact OE1-NH1 3.75Å; E209-R212 PolarHBondContact OE1-NH1 3.24Å; R212-R216 VanDerWaalsContact O-CB 3.32Å; R212-R216 WeakPolarHBondContact O-CB 3.46Å; R212-R216 WeakPolarHBondContact O-CD 3.25Å; R212-R216 WeakPolarHBondContact O-CG 3.37Å; R212-R216 PolarHBondContact O-N 3.3Å; R212-R216 VanDerWaalsContact O-N 3.14Å; R212-R216 PolarHBondContact O-NE 2.77Å; R212-E250 WeakPolarHBondContact CG-OE2 3.41Å; R212-E250 IonicContact CZ-OE1 3.12Å; R212-E250 VanDerWaalsContact CZ-OE1 3.25Å; R212-E250 IonicContact NE-OE1 3.26Å; R212-E250 PolarHBondContact NE-OE1 3.32Å; R212-E250 IonicContact NE-OE2 2.72Å; R212-E250 PolarHBondContact NE-OE2 3.32Å; R212-E250 IonicContact NH2-OE1 2.73Å; R212-E250 PolarHBondContact NH2-OE1 3.23Å; R212-Y252 HydrophobicContact CG-CE2 4.11Å; R212-Y252 WeakPolarHBondContact CG-OH 3.35Å |
| 213 | K | 95.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 23 Ų | 23 | 34% | 0.339 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 172.7 | 172.5 | -154.3 | 175.5 | -162.8 | 0 | 111.3 | D180 E181 V182 E209 T210 R216 S217 | D180-K213 IonicContact OD2-NZ 2.69Å; D180-K213 PolarHBondContact OD2-NZ 2.92Å; E181-K213 IonicContact OE2-NZ 3.06Å; E181-K213 PolarHBondContact OE2-NZ 2.96Å; E181-K213 VanDerWaalsContact OE2-NZ 3.17Å; V182-K213 HydrophobicContact CG2-CD 3.82Å; V182-K213 HydrophobicContact CG2-CG 3.92Å; E209-K213 VanDerWaalsContact O-CB 3.28Å; E209-K213 WeakPolarHBondContact O-CB 3.45Å; E209-K213 PolarHBondContact O-N 3.06Å; T210-K213 HydrophobicContact CG2-CD 4.19Å; T210-K213 CarbonylContact O-C 3.08Å; T210-K213 WeakPolarHBondContact O-CA 3.38Å; T210-K213 WeakPolarHBondContact O-CB 3.48Å; T210-K213 PolarHBondContact O-N 2.8Å; K213-R216 PolarHBondContact O-N 2.96Å; K213-S217 WeakPolarHBondContact O-CB 3.47Å; K213-S217 PolarHBondContact O-N 3.22Å; K213-S217 PolarHBondContact O-OG 3.24Å |
| 214 | I | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -55.9 | -179.2 | -70.4 | 159.9 | 0 | 0 | 0 | 110.6 | E181 V182 L185 L202 T210 D211 R216 S217 T218 I221 I224 | E181-I214 HydrophobicContact CB-CD1 4.25Å; V182-I214 HydrophobicContact CG2-CG1 3.76Å; L185-I214 HydrophobicContact CD1-CD1 3.68Å; L185-I214 HydrophobicContact CD1-CG1 4.02Å; L185-I214 HydrophobicContact CD1-CG2 3.93Å; L202-I214 HydrophobicContact CD2-CD1 4.19Å; L202-I214 HydrophobicContact CD2-CG2 4.08Å; T210-I214 HydrophobicContact CG2-CD1 4.03Å; T210-I214 HydrophobicContact CG2-CG1 4.45Å; T210-I214 WeakPolarHBondContact O-CB 3.47Å; T210-I214 WeakPolarHBondContact O-CD1 3.19Å; T210-I214 WeakPolarHBondContact O-CG1 3.32Å; T210-I214 PolarHBondContact O-N 3.18Å; D211-I214 PolarHBondContact O-N 3.35Å; I214-R216 PolarHBondContact O-N 2.85Å; I214-S217 PolarHBondContact O-N 2.79Å; I214-T218 WeakPolarHBondContact O-CB 3.26Å; I214-T218 PolarHBondContact O-N 3.29Å; I214-I221 HydrophobicContact CG2-CD1 3.64Å; I214-I224 HydrophobicContact CB-CD1 4.03Å; I214-I224 HydrophobicContact CG2-CD1 3.72Å |
| 215 | C | 95.2 | Very high | 94.6 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -31.4 | 178.9 | -92.9 | 0 | 0 | 0 | 0 | 112.9 | D211 I224 Y252 C259 V261 | D211-C215 PolarHBondContact O-N 3.35Å; C215-I224 HydrophobicContact CB-CD1 4.27Å; C215-I224 WeakPolarHBondContact SG-CD1 3.22Å; C215-Y252 HydrophobicContact CB-CD2 3.74Å; C215-Y252 HydrophobicContact CB-CG 3.95Å; C215-C259 WeakPolarHBondContact CA-SG 3.46Å; C215-C259 HydrophobicContact CB-CB 3.76Å; C215-C259 WeakPolarHBondContact CB-SG 3.26Å; C215-C259 WeakPolarHBondContact SG-CB 3.17Å; C215-C259 CovalentContact SG-SG 2.04Å; C215-C259 PolarHBondContact SG-SG 2.93Å; C215-V261 HydrophobicContact CB-CG2 4.25Å; C215-V261 WeakPolarHBondContact SG-CG2 3.08Å |
| 216 | R | 94.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 23.1 Ų | 23.1 | 44% | 0.442 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -73.5 | -35.3 | 174.9 | -68.6 | 164.8 | -163.3 | 171.1 | 3 | 112.4 | R212 K213 I214 Y252 S254 | R212-R216 VanDerWaalsContact O-CB 3.32Å; R212-R216 WeakPolarHBondContact O-CB 3.46Å; R212-R216 WeakPolarHBondContact O-CD 3.25Å; R212-R216 WeakPolarHBondContact O-CG 3.37Å; R212-R216 PolarHBondContact O-N 3.3Å; R212-R216 VanDerWaalsContact O-N 3.14Å; R212-R216 PolarHBondContact O-NE 2.77Å; K213-R216 PolarHBondContact O-N 2.96Å; I214-R216 PolarHBondContact O-N 2.85Å; R216-Y252 HydrophobicContact CG-CD1 3.77Å; R216-Y252 HydrophobicContact CG-CE1 4.09Å; R216-Y252 HydrophobicContact CG-CG 4.4Å; R216-Y252 PolarHBondContact NH2-OH 2.87Å; R216-S254 PolarHBondContact O-OG 2.82Å |
| 217 | S | 93.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 23 Ų | 23 | 40% | 0.399 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -107.4 | -20.3 | -166.1 | -52.5 | 0 | 0 | 0 | 0 | 116.1 | K186 K213 I214 | K186-S217 WeakPolarHBondContact CE-O 3.15Å; K213-S217 WeakPolarHBondContact O-CB 3.47Å; K213-S217 PolarHBondContact O-N 3.22Å; K213-S217 PolarHBondContact O-OG 3.24Å; I214-S217 PolarHBondContact O-N 2.79Å |
| 218 | T | 93.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -116.5 | 88.1 | -170.9 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | L185 K186 I214 G220 I221 | L185-T218 HydrophobicContact CB-CG2 4.19Å; K186-T218 HydrophobicContact CG-CG2 3.98Å; I214-T218 WeakPolarHBondContact O-CB 3.26Å; I214-T218 PolarHBondContact O-N 3.29Å; T218-G220 PolarHBondContact O-N 2.78Å; T218-I221 HydrophobicContact CG2-CD1 3.76Å; T218-I221 HydrophobicContact CG2-CG1 4.26Å |
| 219 | S | 91.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 25.9 Ų | 25.9 | 44% | 0.441 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 122.5 | -179.5 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | S255 | S219-S255 WeakPolarHBondContact CB-OG 3.39Š|
| 220 | G | 93.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 12% | 0.124 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | 5.8 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | T189 R193 T218 | T189-G220 VanDerWaalsContact CG2-C 3.48Å; R193-G220 VanDerWaalsContact CZ-O 3.25Å; R193-G220 PolarHBondContact NE-O 3.19Å; R193-G220 PolarHBondContact NH2-O 3.16Å; T218-G220 PolarHBondContact O-N 2.78Å |
| 221 | I | 96.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | trans | -79.2 | 139.2 | 153 | -62.8 | 167.5 | 0 | 0 | 0 | 107.3 | L185 T189 I200 L202 I214 T218 I223 I224 | L185-I221 HydrophobicContact CB-CD1 4.35Å; L185-I221 HydrophobicContact CD1-CD1 4.39Å; T189-I221 HydrophobicContact CG2-CG1 4.33Å; I200-I221 HydrophobicContact CG2-CG1 4.44Å; L202-I221 HydrophobicContact CB-CG2 4.11Å; L202-I221 HydrophobicContact CD2-CD1 4.17Å; I214-I221 HydrophobicContact CG2-CD1 3.64Å; T218-I221 HydrophobicContact CG2-CD1 3.76Å; T218-I221 HydrophobicContact CG2-CG1 4.26Å; I221-I223 WeakPolarHBondContact CG2-O 3.39Å; I221-I224 HydrophobicContact CG2-CG1 3.92Å | ||
| 222 | D | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -104.2 | -32.9 | -179.7 | -63.2 | -54.4 | 0 | 0 | 0 | 112.6 | R193 I199 I200 R257 C259 L260 F278 V284 | R193-D222 IonicContact CZ-OD2 3.25Å; R193-D222 VanDerWaalsContact NH2-CG 3.29Å; R193-D222 IonicContact NH2-OD1 2.72Å; R193-D222 PolarHBondContact NH2-OD1 2.91Å; R193-D222 IonicContact NH2-OD2 2.77Å; R193-D222 PolarHBondContact NH2-OD2 2.84Å; I199-D222 WeakPolarHBondContact CA-OD2 3.37Å; I200-D222 PolarHBondContact N-OD2 2.94Å; I200-D222 VanDerWaalsContact N-OD2 3.17Å; I200-D222 PolarHBondContact O-N 3.32Å; D222-R257 IonicContact OD1-CZ 3.29Å; D222-R257 VanDerWaalsContact OD1-CZ 3.29Å; D222-R257 IonicContact OD1-NE 3.05Å; D222-R257 PolarHBondContact OD1-NE 2.83Å; D222-R257 IonicContact OD1-NH2 2.67Å; D222-R257 PolarHBondContact OD1-NH2 3.36Å; D222-R257 IonicContact OD2-NH2 3.04Å; D222-R257 PolarHBondContact OD2-NH2 3.15Å; D222-C259 WeakPolarHBondContact O-CA 3.27Å; D222-L260 PolarHBondContact O-N 3.42Å; D222-F278 HydrophobicContact CB-CE1 4.2Å; D222-V284 HydrophobicContact CB-CG2 4.28Å | ||
| 223 | I | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139 | 178.6 | -49.3 | 170.1 | 0 | 0 | 0 | 109.5 | L4 I200 I201 L202 I221 L260 I262 L274 V276 F278 | L4-I223 HydrophobicContact CD1-CB 4.34Å; L4-I223 HydrophobicContact CD1-CD1 3.68Å; L4-I223 HydrophobicContact CD1-CG2 3.82Å; L4-I223 HydrophobicContact CG-CD1 4.38Å; I200-I223 PolarHBondContact O-N 2.96Å; I201-I223 CarbonylContact C-O 2.74Å; I201-I223 WeakPolarHBondContact CA-O 3.44Å; L202-I223 PolarHBondContact N-O 3.44Å; I221-I223 WeakPolarHBondContact CG2-O 3.39Å; I223-L260 CarbonylContact C-O 3.58Å; I223-L260 VanDerWaalsContact CA-O 3.28Å; I223-L260 WeakPolarHBondContact CA-O 3.13Å; I223-L260 HydrophobicContact CG1-CB 4.45Å; I223-L260 HydrophobicContact CG2-CB 4.41Å; I223-I262 HydrophobicContact CG2-CG1 4.41Å; I223-L274 HydrophobicContact CD1-CD2 4.4Å; I223-L274 HydrophobicContact CG2-CD2 3.95Å; I223-V276 HydrophobicContact CD1-CB 4.34Å; I223-V276 HydrophobicContact CD1-CG1 4.35Å; I223-V276 HydrophobicContact CD1-CG2 3.81Å; I223-F278 HydrophobicContact CD1-CZ 3.97Å |
| 224 | I | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.1 | 167.8 | -52.7 | -176.9 | 0 | 0 | 0 | 108.7 | L202 D211 I214 C215 I221 L260 V261 I262 | L202-I224 HydrophobicContact CB-CG1 4.23Å; L202-I224 HydrophobicContact CB-CG2 4.39Å; L202-I224 HydrophobicContact CD2-CD1 4.17Å; L202-I224 HydrophobicContact CD2-CG1 4.13Å; L202-I224 HydrophobicContact CD2-CG2 4.06Å; L202-I224 HydrophobicContact CG-CG2 4.26Å; L202-I224 CarbonylContact O-C 3.49Å; L202-I224 WeakPolarHBondContact O-CA 3.29Å; D211-I224 HydrophobicContact CB-CD1 4.26Å; D211-I224 HydrophobicContact CB-CG2 4.16Å; I214-I224 HydrophobicContact CB-CD1 4.03Å; I214-I224 HydrophobicContact CG2-CD1 3.72Å; C215-I224 HydrophobicContact CB-CD1 4.27Å; C215-I224 WeakPolarHBondContact SG-CD1 3.22Å; I221-I224 HydrophobicContact CG2-CG1 3.92Å; I224-L260 PolarHBondContact N-O 2.99Å; I224-V261 HydrophobicContact CB-CG1 4.47Å; I224-V261 HydrophobicContact CB-CG2 4.44Å; I224-V261 HydrophobicContact CD1-CG2 4.34Å; I224-I262 VanDerWaalsContact O-CG1 3.3Å; I224-I262 WeakPolarHBondContact O-CG1 3.44Å; I224-I262 PolarHBondContact O-N 2.98Å |
| 225 | V | 97.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 103.8 | 169.2 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | L4 A6 L71 I201 L202 L203 S204 I262 | L4-V225 HydrophobicContact CD1-CG2 4.28Å; A6-V225 HydrophobicContact CB-CG1 3.55Å; L71-V225 HydrophobicContact CD1-CG2 4.35Å; I201-V225 HydrophobicContact CG2-CG2 4.28Å; L202-V225 PolarHBondContact O-N 3.14Å; L203-V225 CarbonylContact C-O 3.52Å; L203-V225 HydrophobicContact CD2-CB 3.95Å; L203-V225 HydrophobicContact CD2-CG2 4.07Å; S204-V225 PolarHBondContact N-O 2.85Å; V225-I262 HydrophobicContact CG2-CD1 4.13Å; V225-I262 HydrophobicContact CG2-CG1 4.28Å |
| 226 | G | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 150 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S204 D211 I262 T263 | S204-G226 CarbonylContact O-C 3.49Å; S204-G226 WeakPolarHBondContact O-CA 3.01Å; D211-G226 WeakPolarHBondContact OD2-CA 3.41Å; G226-I262 PolarHBondContact N-O 3.24Å; G226-T263 WeakPolarHBondContact O-CG2 3.27Å |
| 227 | G | 89.5 | Confident | 92.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -131.8 | -141.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S204 T229 N230 | S204-G227 PolarHBondContact O-N 3Å; G227-T229 PolarHBondContact O-N 3.1Å; G227-N230 VanDerWaalsContact C-OD1 3.3Å | ||
| 228 | H | 88.1 | Confident | 91.9 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 19% | 0.185 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 63.5 | -60.5 | 177 | -166.8 | 63.6 | 0 | 0 | 0 | 116.2 | S9 N107 H205 N230 | S9-H228 PolarHBondContact OG-N 3.33Å; N107-H228 PolarHBondContact OD1-CE1 3.02Å; N107-H228 PolarHBondContact OD1-ND1 3.44Å; H205-H228 VanDerWaalsContact CD2-CB 3.48Å; H205-H228 WeakPolarHBondContact CD2-CB 3.48Å; H205-H228 AromaticContact CD2-CG 3.75Å; H205-H228 AromaticContact CD2-ND1 3.44Å; H205-H228 PolarHBondContact CD2-ND1 2.75Å; H205-H228 AromaticContact NE2-CG 3.79Å; H205-H228 AromaticContact NE2-ND1 3.32Å; H205-H228 PolarHBondContact NE2-ND1 2.92Å; H228-N230 PolarHBondContact N-OD1 3.38Å; H228-N230 VanDerWaalsContact N-OD1 3.1Å; H228-N230 PolarHBondContact O-ND2 3.14Å; H228-N230 VanDerWaalsContact O-ND2 3.14Å |
| 229 | T | 83 | Confident | 91.7 | Very high | 27 Ų | 27 | 24.4 Ų | 24.4 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -86.9 | -19.9 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | V12 I208 G227 T231 | V12-T229 WeakPolarHBondContact CG2-O 3.47Å; I208-T229 WeakPolarHBondContact CB-OG1 3.44Å; I208-T229 HydrophobicContact CG2-CG2 4.49Å; I208-T229 WeakPolarHBondContact CG2-OG1 3.37Å; I208-T229 PolarHBondContact N-OG1 2.78Å; G227-T229 PolarHBondContact O-N 3.1Å; T229-T231 PolarHBondContact O-N 2.9Å; T229-T231 PolarHBondContact OG1-OG1 2.83Å; T229-T231 VanDerWaalsContact OG1-OG1 3.06Å |
| 230 | N | 80.3 | Confident | 91.4 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | 58.5 | 25.7 | 169.2 | -49.1 | -38.3 | 0 | 0 | 0 | 114.5 | S9 P10 W11 V12 G227 H228 F232 Y265 A266 | S9-N230 VanDerWaalsContact CA-OD1 3.23Å; S9-N230 WeakPolarHBondContact CA-OD1 3.1Å; S9-N230 WeakPolarHBondContact CB-OD1 3.38Å; S9-N230 PolarHBondContact N-OD1 3Å; S9-N230 WeakPolarHBondContact O-CB 3.43Å; S9-N230 PolarHBondContact O-ND2 2.84Å; S9-N230 PolarHBondContact O-OD1 3.09Å; S9-N230 VanDerWaalsContact O-OD1 3.09Å; S9-N230 PolarHBondContact OG-ND2 3.12Å; S9-N230 PolarHBondContact OG-OD1 3.33Å; P10-N230 VanDerWaalsContact N-ND2 3.16Å; W11-N230 HydrophobicContact CB-CB 4.09Å; W11-N230 PolarHBondContact N-ND2 2.84Å; W11-N230 VanDerWaalsContact O-CB 3.3Å; W11-N230 WeakPolarHBondContact O-CB 3.47Å; V12-N230 WeakPolarHBondContact CB-O 3.38Å; G227-N230 VanDerWaalsContact C-OD1 3.3Å; H228-N230 PolarHBondContact N-OD1 3.38Å; H228-N230 VanDerWaalsContact N-OD1 3.1Å; H228-N230 PolarHBondContact O-ND2 3.14Å; H228-N230 VanDerWaalsContact O-ND2 3.14Å; N230-F232 PolarHBondContact O-N 3.4Å; N230-Y265 CarbonylContact C-O 3.43Å; N230-Y265 WeakPolarHBondContact CA-O 3.32Å; N230-Y265 WeakPolarHBondContact CB-O 3.11Å; N230-Y265 CarbonylContact O-C 3.52Å; N230-Y265 WeakPolarHBondContact O-CA 3.34Å; N230-Y265 WeakPolarHBondContact O-CD2 3.45Å; N230-Y265 VanDerWaalsContact O-O 3.07Å; N230-A266 HydrophobicContact CB-CB 4.12Å | ||
| 231 | T | 84.2 | Confident | 90.6 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | trans | -46.3 | 126.8 | 171.4 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | I208 T229 L233 E245 T263 | I208-T231 HydrophobicContact CB-CG2 4.43Å; I208-T231 HydrophobicContact CG1-CG2 4.19Å; I208-T231 HydrophobicContact CG2-CG2 4.42Å; I208-T231 WeakPolarHBondContact CG2-OG1 3.42Å; T229-T231 PolarHBondContact O-N 2.9Å; T229-T231 PolarHBondContact OG1-OG1 2.83Å; T229-T231 VanDerWaalsContact OG1-OG1 3.06Å; T231-L233 HydrophobicContact CG2-CD2 4.37Å; T231-L233 HydrophobicContact CG2-CG 4.49Å; T231-L233 PolarHBondContact O-N 3.22Å; T231-E245 HydrophobicContact CG2-CB 3.65Å; T231-E245 HydrophobicContact CG2-CG 4.09Å; T231-T263 VanDerWaalsContact O-CB 3.28Å; T231-T263 WeakPolarHBondContact O-CB 3.49Å; T231-T263 PolarHBondContact O-OG1 3.38Å | ||
| 232 | F | 87.2 | Confident | 89.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -80.6 | 109 | 172.9 | -176.7 | -146.4 | 0 | 0 | 0 | 109.5 | N230 Y234 A238 E242 P244 E245 Y265 Y270 P291 | N230-F232 PolarHBondContact O-N 3.4Å; F232-Y234 HydrophobicContact CE1-CG 4.48Å; F232-Y234 AromaticContact CE2-CD2 3.72Å; F232-Y234 HydrophobicContact CE2-CD2 3.72Å; F232-Y234 HydrophobicContact CE2-CG 4.23Å; F232-Y234 AromaticContact CZ-CD2 3.5Å; F232-Y234 HydrophobicContact CZ-CD2 3.5Å; F232-Y234 HydrophobicContact CZ-CE2 4.43Å; F232-Y234 AromaticContact CZ-CG 3.84Å; F232-Y234 HydrophobicContact CZ-CG 3.84Å; F232-A238 HydrophobicContact CE1-CB 3.86Å; F232-A238 HydrophobicContact CZ-CB 4.28Å; F232-E242 HydrophobicContact CD1-CB 3.43Å; F232-E242 VanDerWaalsContact CD1-CB 3.43Å; F232-E242 HydrophobicContact CD1-CG 4.49Å; F232-E242 HydrophobicContact CE1-CB 3.67Å; F232-E242 WeakPolarHBondContact CE1-O 3.32Å; F232-E242 HydrophobicContact CG-CB 4.23Å; F232-P244 HydrophobicContact CD1-CB 4.47Å; F232-P244 HydrophobicContact CD1-CG 4.19Å; F232-P244 HydrophobicContact CE1-CG 4.02Å; F232-P244 CarbonylContact O-C 3.08Å; F232-P244 WeakPolarHBondContact O-CA 3.39Å; F232-E245 PolarHBondContact O-N 3.46Å; F232-Y265 HydrophobicContact CB-CD2 4.08Å; F232-Y265 HydrophobicContact CB-CG 4.26Å; F232-Y270 HydrophobicContact CE2-CD1 4.29Å; F232-Y270 HydrophobicContact CE2-CD2 4.26Å; F232-Y270 AromaticContact CE2-CE1 3.96Å; F232-Y270 HydrophobicContact CE2-CE1 3.96Å; F232-Y270 AromaticContact CE2-CE2 3.95Å; F232-Y270 HydrophobicContact CE2-CE2 3.95Å; F232-Y270 HydrophobicContact CE2-CG 4.45Å; F232-Y270 AromaticContact CE2-CZ 3.8Å; F232-Y270 AromaticContact CZ-CE1 3.8Å; F232-Y270 HydrophobicContact CZ-CE1 3.8Å; F232-Y270 HydrophobicContact CZ-CE2 4.06Å; F232-Y270 AromaticContact CZ-CZ 3.52Å; F232-P291 HydrophobicContact CD2-CG 4.45Å; F232-P291 HydrophobicContact CE2-CB 4.13Å; F232-P291 HydrophobicContact CE2-CG 4.03Å |
| 233 | L | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 130.6 | 166.8 | -66.8 | 176.9 | 0 | 0 | 0 | 108.6 | I208 T231 G246 Y248 E250 T263 P291 | I208-L233 HydrophobicContact CD1-CD1 4.19Å; T231-L233 HydrophobicContact CG2-CD2 4.37Å; T231-L233 HydrophobicContact CG2-CG 4.49Å; T231-L233 PolarHBondContact O-N 3.22Å; L233-G246 WeakPolarHBondContact CA-O 3.23Å; L233-G246 VanDerWaalsContact CD2-C 3.49Å; L233-G246 VanDerWaalsContact CD2-CA 3.44Å; L233-Y248 HydrophobicContact CB-CD2 3.98Å; L233-Y248 WeakPolarHBondContact O-CD2 3.42Å; L233-E250 HydrophobicContact CD1-CG 4.21Å; L233-E250 HydrophobicContact CD2-CG 4.14Å; L233-T263 WeakPolarHBondContact CD1-OG1 3.36Å; L233-T263 VanDerWaalsContact CG-OG1 3.3Å; L233-T263 WeakPolarHBondContact CG-OG1 3.11Å; L233-T263 PolarHBondContact N-O 3.45Å; L233-P291 WeakPolarHBondContact O-CG 3.46Å |
| 234 | Y | 94.7 | Very high | 88 | Confident | 36 Ų | 36 | 26.6 Ų | 26.6 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | trans | -153 | 136.9 | 177.4 | -162.9 | -82.8 | 0 | 0 | 0 | 111.6 | F232 S237 P239 G246 N290 P291 | F232-Y234 HydrophobicContact CE1-CG 4.48Å; F232-Y234 AromaticContact CE2-CD2 3.72Å; F232-Y234 HydrophobicContact CE2-CD2 3.72Å; F232-Y234 HydrophobicContact CE2-CG 4.23Å; F232-Y234 AromaticContact CZ-CD2 3.5Å; F232-Y234 HydrophobicContact CZ-CD2 3.5Å; F232-Y234 HydrophobicContact CZ-CE2 4.43Å; F232-Y234 AromaticContact CZ-CG 3.84Å; F232-Y234 HydrophobicContact CZ-CG 3.84Å; Y234-S237 WeakPolarHBondContact CE1-O 3.49Å; Y234-P239 HydrophobicContact CE2-CG 4.14Å; Y234-G246 PolarHBondContact N-O 2.92Å; Y234-N290 HydrophobicContact CD2-CB 4.11Å; Y234-N290 VanDerWaalsContact CE1-ND2 3.34Å; Y234-N290 WeakPolarHBondContact CE1-ND2 3.3Å; Y234-N290 HydrophobicContact CE2-CB 3.62Å; Y234-N290 VanDerWaalsContact CZ-ND2 3.3Å; Y234-P291 HydrophobicContact CD2-CG 4.32Å | ||
| 235 | S | 96 | Very high | 87.4 | Confident | 51 Ų | 51 | 26.9 Ų | 26.9 | 36% | 0.357 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -99.6 | 106.8 | 177.4 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | Y248 N290 | S235-Y248 PolarHBondContact OG-N 3.16Å; S235-Y248 PolarHBondContact OG-O 2.81Å; S235-N290 PolarHBondContact N-OD1 2.78Å; S235-N290 PolarHBondContact O-ND2 2.74Å |
| 236 | G | 93.9 | Very high | 87.1 | Confident | 64 Ų | 64 | 27.4 Ų | 27.4 | 66% | 0.66 | 18% | 0.184 | S | C | * | . | S | Bend | trans | 105.1 | -155.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A238 | G236-A238 PolarHBondContact O-N 2.91Š|
| 237 | S | 92.3 | Very high | 87.1 | Confident | 113 Ų | 113 | 30.7 Ų | 30.7 | 79% | 0.79 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -71.4 | 122.4 | 175 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | Y234 | Y234-S237 WeakPolarHBondContact CE1-O 3.49Š|
| 238 | A | 89.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 31 Ų | 31 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | trans | -56.2 | 142.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F232 G236 P244 | F232-A238 HydrophobicContact CE1-CB 3.86Å; F232-A238 HydrophobicContact CZ-CB 4.28Å; G236-A238 PolarHBondContact O-N 2.91Å; A238-P244 HydrophobicContact CB-CG 4.21Å | ||
| 239 | P | 89.5 | Confident | 87.8 | Confident | 66 Ų | 66 | 29.4 Ų | 29.4 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -87.2 | -14.5 | -177.8 | 36.9 | -36.9 | 0 | 0 | 0 | 112.3 | Y234 Y270 L293 | Y234-P239 HydrophobicContact CE2-CG 4.14Å; P239-Y270 HydrophobicContact CG-CE1 3.69Å; P239-L293 HydrophobicContact CB-CB 4.45Å; P239-L293 HydrophobicContact CB-CD2 4.44Å; P239-L293 HydrophobicContact CG-CB 3.93Å; P239-L293 HydrophobicContact CG-CD2 4.48Å |
| 240 | S | 85.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 28.7 Ų | 28.7 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -125.9 | -153.1 | 166.9 | -160.8 | 0 | 0 | 0 | 0 | 108.4 | K269 Y270 | S240-K269 PolarHBondContact OG-NZ 2.6Å; S240-Y270 WeakPolarHBondContact CB-OH 3.38Å |
| 241 | R | 76.4 | Confident | 89.2 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -97.7 | -19.6 | -156.7 | 77.7 | 169.2 | -165.5 | 64.6 | 0.3 | 114.6 | L15 V20 E21 | L15-R241 VanDerWaalsContact N-NH1 3.15Å; L15-R241 CarbonylContact O-C 3.53Å; L15-R241 WeakPolarHBondContact O-CB 3.28Å; L15-R241 WeakPolarHBondContact O-CD 3.49Å; L15-R241 WeakPolarHBondContact O-CG 2.91Å; L15-R241 PolarHBondContact O-NH1 3.06Å; L15-R241 VanDerWaalsContact O-O 3.07Å; V20-R241 PolarHBondContact O-NE 3.11Å; V20-R241 PolarHBondContact O-NH2 3.07Å; E21-R241 VanDerWaalsContact CD-NH1 3.27Å; E21-R241 IonicContact OE1-CZ 3.71Å; E21-R241 IonicContact OE1-NE 3.54Å; E21-R241 IonicContact OE1-NH1 3.53Å; E21-R241 PolarHBondContact OE1-NH1 3.04Å; E21-R241 IonicContact OE1-NH2 3.71Å; E21-R241 PolarHBondContact OE1-NH2 2.67Å; E21-R241 VanDerWaalsContact OE1-NH2 3.07Å; E21-R241 IonicContact OE2-CZ 2.74Å; E21-R241 IonicContact OE2-NH1 2.75Å; E21-R241 PolarHBondContact OE2-NH1 2.71Å; E21-R241 IonicContact OE2-NH2 3.39Å; E21-R241 PolarHBondContact OE2-NH2 3.26Å |
| 242 | E | 74.5 | Confident | 89.8 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 143.9 | 177.9 | -66.1 | 66.9 | -147.4 | 0 | 0 | 112.4 | E21 F232 Y265 K269 Y270 | E21-E242 HydrophobicContact CG-CG 4.42Å; E21-E242 VanDerWaalsContact CG-OE1 3.27Å; E21-E242 WeakPolarHBondContact CG-OE1 3.35Å; E21-E242 WeakPolarHBondContact OE1-CG 3.44Å; F232-E242 HydrophobicContact CD1-CB 3.43Å; F232-E242 VanDerWaalsContact CD1-CB 3.43Å; F232-E242 HydrophobicContact CD1-CG 4.49Å; F232-E242 HydrophobicContact CE1-CB 3.67Å; F232-E242 WeakPolarHBondContact CE1-O 3.32Å; F232-E242 HydrophobicContact CG-CB 4.23Å; E242-Y265 HydrophobicContact CG-CD1 3.84Å; E242-Y265 HydrophobicContact CG-CD2 4.37Å; E242-Y265 HydrophobicContact CG-CE1 3.58Å; E242-Y265 HydrophobicContact CG-CE2 4.16Å; E242-Y265 HydrophobicContact CG-CG 4.21Å; E242-K269 VanDerWaalsContact OE1-CD 3.32Å; E242-K269 WeakPolarHBondContact OE1-CD 3.42Å; E242-K269 WeakPolarHBondContact OE1-CE 3.18Å; E242-K269 IonicContact OE1-NZ 3.48Å; E242-K269 PolarHBondContact OE1-NZ 3.27Å; E242-K269 IonicContact OE2-NZ 2.76Å; E242-K269 PolarHBondContact OE2-NZ 3.45Å; E242-Y270 HydrophobicContact CG-CE2 4.34Å; E242-Y270 PolarHBondContact OE2-OH 2.89Å |
| 243 | I | 76.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 128.3 | 173.9 | -76 | -170.7 | 0 | 0 | 0 | 111.8 | E13 W14 E245 Q557 | E13-I243 PolarHBondContact O-N 3.42Å; W14-I243 HydrophobicContact CE3-CD1 3.49Å; W14-I243 VanDerWaalsContact CE3-CD1 3.49Å; W14-I243 HydrophobicContact CE3-CG1 4.11Å; W14-I243 HydrophobicContact CZ3-CD1 3.72Å; I243-E245 PolarHBondContact O-N 2.98Å; I243-Q557 HydrophobicContact CD1-CB 4.44Å; I243-Q557 WeakPolarHBondContact CD1-O 3.19Å; I243-Q557 HydrophobicContact CG2-CB 3.98Å |
| 244 | P | 86.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 116.1 | 171 | -19.7 | 34.2 | 0 | 0 | 0 | 111.6 | F232 A238 G246 | F232-P244 HydrophobicContact CD1-CB 4.47Å; F232-P244 HydrophobicContact CD1-CG 4.19Å; F232-P244 HydrophobicContact CE1-CG 4.02Å; F232-P244 CarbonylContact O-C 3.08Å; F232-P244 WeakPolarHBondContact O-CA 3.39Å; A238-P244 HydrophobicContact CB-CG 4.21Å; P244-G246 PolarHBondContact O-N 2.76Å |
| 245 | E | 85.1 | Confident | 88 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -80.1 | -1.7 | 178.3 | -53.4 | -157.5 | -107.7 | 0 | 0 | 113.3 | V12 T231 F232 I243 R434 Y554 Y558 | V12-E245 WeakPolarHBondContact CG1-OE1 3.02Å; T231-E245 HydrophobicContact CG2-CB 3.65Å; T231-E245 HydrophobicContact CG2-CG 4.09Å; F232-E245 PolarHBondContact O-N 3.46Å; I243-E245 PolarHBondContact O-N 2.98Å; E245-R434 IonicContact OE1-CZ 3.42Å; E245-R434 IonicContact OE1-NH1 3.85Å; E245-R434 PolarHBondContact OE1-NH1 3.06Å; E245-R434 IonicContact OE1-NH2 3.28Å; E245-R434 IonicContact OE2-CZ 3.15Å; E245-R434 IonicContact OE2-NH1 3.65Å; E245-R434 PolarHBondContact OE2-NH1 3.13Å; E245-R434 IonicContact OE2-NH2 3.4Å; E245-R434 PolarHBondContact OE2-NH2 3.02Å; E245-Y554 WeakPolarHBondContact O-CE2 3.31Å; E245-Y554 PolarHBondContact O-OH 3.2Å; E245-Y558 PolarHBondContact OE2-OH 3.05Å; E245-Y558 VanDerWaalsContact OE2-OH 3.09Å |
| 246 | G | 90 | Very high | 87.3 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | 177 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L233 Y234 P244 | L233-G246 WeakPolarHBondContact CA-O 3.23Å; L233-G246 VanDerWaalsContact CD2-C 3.49Å; L233-G246 VanDerWaalsContact CD2-CA 3.44Å; Y234-G246 PolarHBondContact N-O 2.92Å; P244-G246 PolarHBondContact O-N 2.76Å |
| 247 | P | 95.8 | Very high | 87 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | trans | -71.2 | 150.7 | 177.3 | 31.7 | -35.6 | 0 | 0 | 0 | 111.5 | P249 E250 | P247-P249 CarbonylContact O-C 3.48Å; P247-E250 HydrophobicContact CG-CG 4.32Å; P247-E250 PolarHBondContact O-N 2.89Å; P247-E250 VanDerWaalsContact O-N 3.14Å | ||
| 248 | Y | 94.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -104.2 | 118.8 | 169.9 | -169.7 | -81.4 | 0 | 0 | 0 | 110 | L233 S235 I262 R273 L274 P291 | L233-Y248 HydrophobicContact CB-CD2 3.98Å; L233-Y248 WeakPolarHBondContact O-CD2 3.42Å; S235-Y248 PolarHBondContact OG-N 3.16Å; S235-Y248 PolarHBondContact OG-O 2.81Å; Y248-I262 HydrophobicContact CD1-CG2 3.99Å; Y248-I262 HydrophobicContact CD2-CB 4.16Å; Y248-I262 HydrophobicContact CD2-CG2 3.97Å; Y248-I262 HydrophobicContact CE1-CB 4.34Å; Y248-I262 HydrophobicContact CE1-CG2 3.61Å; Y248-I262 HydrophobicContact CE2-CB 3.53Å; Y248-I262 HydrophobicContact CE2-CG2 3.62Å; Y248-I262 HydrophobicContact CG-CG2 4.16Å; Y248-I262 VanDerWaalsContact CZ-CG2 3.42Å; Y248-R273 VanDerWaalsContact CE1-O 3.25Å; Y248-R273 WeakPolarHBondContact CE1-O 3.42Å; Y248-R273 PolarHBondContact OH-N 3.15Å; Y248-R273 PolarHBondContact OH-O 3.07Å; Y248-L274 HydrophobicContact CD1-CD1 4.35Å; Y248-L274 HydrophobicContact CE1-CB 4.04Å; Y248-L274 HydrophobicContact CE1-CD1 3.93Å; Y248-P291 HydrophobicContact CD2-CG 3.73Å; Y248-P291 HydrophobicContact CE2-CG 3.7Å; Y248-P291 HydrophobicContact CG-CG 4.46Å |
| 249 | P | 96.8 | Very high | 87.5 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | S | Bend | cis | -75 | 162.5 | -15.4 | 34.4 | -36.8 | 0 | 0 | 0 | 112.8 | P247 V251 L260 V261 I262 L274 W287 | P247-P249 CarbonylContact O-C 3.48Å; P249-V251 HydrophobicContact CG-CG2 4.21Å; P249-L260 HydrophobicContact CB-CB 3.93Å; P249-L260 HydrophobicContact CB-CD2 4.41Å; P249-L260 HydrophobicContact CG-CB 4.22Å; P249-L260 HydrophobicContact CG-CD1 4.3Å; P249-L260 HydrophobicContact CG-CD2 3.9Å; P249-L260 HydrophobicContact CG-CG 4.36Å; P249-V261 CarbonylContact C-O 3.48Å; P249-V261 WeakPolarHBondContact CA-O 3.24Å; P249-V261 VanDerWaalsContact CB-O 3.29Å; P249-V261 WeakPolarHBondContact CB-O 3.09Å; P249-I262 HydrophobicContact CB-CG2 3.65Å; P249-L274 HydrophobicContact CB-CD1 4.34Å; P249-L274 HydrophobicContact CG-CD1 4.06Å; P249-W287 VanDerWaalsContact CD-CD1 3.46Å; P249-W287 VanDerWaalsContact CG-CD1 3.42Å; P249-W287 HydrophobicContact CG-CG 4.15Å |
| 250 | E | 96.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 144.5 | 155.9 | -69.9 | -169.6 | -172.3 | 0 | 0 | 110 | R212 L233 P247 Y252 L260 V261 | R212-E250 WeakPolarHBondContact CG-OE2 3.41Å; R212-E250 IonicContact CZ-OE1 3.12Å; R212-E250 VanDerWaalsContact CZ-OE1 3.25Å; R212-E250 IonicContact NE-OE1 3.26Å; R212-E250 PolarHBondContact NE-OE1 3.32Å; R212-E250 IonicContact NE-OE2 2.72Å; R212-E250 PolarHBondContact NE-OE2 3.32Å; R212-E250 IonicContact NH2-OE1 2.73Å; R212-E250 PolarHBondContact NH2-OE1 3.23Å; L233-E250 HydrophobicContact CD1-CG 4.21Å; L233-E250 HydrophobicContact CD2-CG 4.14Å; P247-E250 HydrophobicContact CG-CG 4.32Å; P247-E250 PolarHBondContact O-N 2.89Å; P247-E250 VanDerWaalsContact O-N 3.14Å; E250-Y252 HydrophobicContact CB-CD2 4.5Å; E250-Y252 HydrophobicContact CB-CE2 3.82Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.19Å; E250-Y252 VanDerWaalsContact OE2-CZ 3.28Å; E250-Y252 PolarHBondContact OE2-OH 2.84Å; E250-L260 CarbonylContact O-C 3.54Å; E250-L260 WeakPolarHBondContact O-CA 3.3Å; E250-V261 HydrophobicContact CB-CB 4.24Å; E250-V261 PolarHBondContact N-O 2.92Å; E250-V261 PolarHBondContact O-N 2.77Å |
| 251 | V | 96.6 | Very high | 88.4 | Confident | 66 Ų | 66 | 32.3 Ų | 32.3 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 105.9 | -170 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | P249 P258 L260 W287 | P249-V251 HydrophobicContact CG-CG2 4.21Å; V251-P258 HydrophobicContact CG1-CB 4.02Å; V251-L260 HydrophobicContact CB-CD2 4.43Å; V251-L260 HydrophobicContact CG1-CD2 4.11Å; V251-L260 HydrophobicContact CG2-CD2 3.93Å; V251-W287 HydrophobicContact CB-CZ2 4.45Å; V251-W287 HydrophobicContact CG1-CH2 4.01Å; V251-W287 HydrophobicContact CG1-CZ2 3.9Å; V251-W287 HydrophobicContact CG2-CZ2 3.67Å |
| 252 | Y | 95.6 | Very high | 89.4 | Confident | 47 Ų | 47 | 30.8 Ų | 30.8 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.7 | 178.3 | -69 | -74.9 | 0 | 0 | 0 | 111.2 | R212 C215 R216 E250 P258 C259 V261 | R212-Y252 HydrophobicContact CG-CE2 4.11Å; R212-Y252 WeakPolarHBondContact CG-OH 3.35Å; C215-Y252 HydrophobicContact CB-CD2 3.74Å; C215-Y252 HydrophobicContact CB-CG 3.95Å; R216-Y252 HydrophobicContact CG-CD1 3.77Å; R216-Y252 HydrophobicContact CG-CE1 4.09Å; R216-Y252 HydrophobicContact CG-CG 4.4Å; R216-Y252 PolarHBondContact NH2-OH 2.87Å; E250-Y252 HydrophobicContact CB-CD2 4.5Å; E250-Y252 HydrophobicContact CB-CE2 3.82Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.19Å; E250-Y252 VanDerWaalsContact OE2-CZ 3.28Å; E250-Y252 PolarHBondContact OE2-OH 2.84Å; Y252-P258 CarbonylContact O-C 3.52Å; Y252-P258 WeakPolarHBondContact O-CA 3.31Å; Y252-C259 PolarHBondContact N-O 2.98Å; Y252-C259 PolarHBondContact O-N 3.3Å; Y252-V261 HydrophobicContact CD2-CG2 4.11Å; Y252-V261 HydrophobicContact CE2-CG2 4.2Å |
| 253 | N | 89.4 | Confident | 90.3 | Very high | 94 Ų | 94 | 30.8 Ų | 30.8 | 50% | 0.503 | 19% | 0.19 | S | C | . | . | trans | -123.9 | 35.8 | -174.4 | -169.6 | 29.6 | 0 | 0 | 0 | 112.7 | S255 G256 R257 | N253-S255 PolarHBondContact O-N 2.54Å; N253-G256 PolarHBondContact O-N 2.95Å; N253-G256 WeakPolarHBondContact OD1-CA 2.99Å; N253-R257 VanDerWaalsContact OD1-C 3.23Å; N253-R257 PolarHBondContact OD1-N 3.02Å; N253-R257 PolarHBondContact OD1-O 2.82Å | ||
| 254 | S | 75 | Confident | 91 | Very high | 80 Ų | 80 | 29.4 Ų | 29.4 | 56% | 0.559 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.5 | -180 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | R216 | R216-S254 PolarHBondContact O-OG 2.82Š|
| 255 | S | 71 | Confident | 91 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 44% | 0.441 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 12.2 | -172.7 | -57.9 | 0 | 0 | 0 | 0 | 113.9 | S219 N253 R257 | S219-S255 WeakPolarHBondContact CB-OG 3.39Å; N253-S255 PolarHBondContact O-N 2.54Å; S255-R257 PolarHBondContact O-N 3.5Å |
| 256 | G | 81.9 | Confident | 90.7 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 46% | 0.464 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 68.7 | -0.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N253 K283 | N253-G256 PolarHBondContact O-N 2.95Å; N253-G256 WeakPolarHBondContact OD1-CA 2.99Å; G256-K283 PolarHBondContact O-NZ 2.64Å |
| 257 | R | 88.9 | Confident | 90 | Very high | 58 Ų | 58 | 27.2 Ų | 27.2 | 22% | 0.219 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -109.7 | 134.4 | 158.1 | -65.9 | 178.6 | 68.3 | 105.2 | -6 | 106.9 | K198 D222 N253 S255 R281 G282 K283 | K198-R257 PolarHBondContact O-NH2 3.43Å; D222-R257 IonicContact OD1-CZ 3.29Å; D222-R257 VanDerWaalsContact OD1-CZ 3.29Å; D222-R257 IonicContact OD1-NE 3.05Å; D222-R257 PolarHBondContact OD1-NE 2.83Å; D222-R257 IonicContact OD1-NH2 2.67Å; D222-R257 PolarHBondContact OD1-NH2 3.36Å; D222-R257 IonicContact OD2-NH2 3.04Å; D222-R257 PolarHBondContact OD2-NH2 3.15Å; N253-R257 VanDerWaalsContact OD1-C 3.23Å; N253-R257 PolarHBondContact OD1-N 3.02Å; N253-R257 PolarHBondContact OD1-O 2.82Å; S255-R257 PolarHBondContact O-N 3.5Å; R257-R281 PolarHBondContact NH1-O 3.39Å; R257-G282 PolarHBondContact NH2-O 3.02Å; R257-K283 HydrophobicContact CG-CD 4.43Å |
| 258 | P | 94.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | trans | -73.4 | 136.7 | 170.6 | 31.9 | -33.4 | 0 | 0 | 0 | 109.9 | V251 Y252 L260 V284 W287 | V251-P258 HydrophobicContact CG1-CB 4.02Å; Y252-P258 CarbonylContact O-C 3.52Å; Y252-P258 WeakPolarHBondContact O-CA 3.31Å; P258-L260 HydrophobicContact CB-CD2 4.49Å; P258-V284 HydrophobicContact CG-CB 4Å; P258-V284 HydrophobicContact CG-CG1 4.21Å; P258-W287 HydrophobicContact CG-CZ3 4.33Å | ||
| 259 | C | 97 | Very high | 88.9 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.1 | 168 | -175.4 | 0 | 0 | 0 | 0 | 106.2 | C215 D222 Y252 | C215-C259 WeakPolarHBondContact CA-SG 3.46Å; C215-C259 HydrophobicContact CB-CB 3.76Å; C215-C259 WeakPolarHBondContact CB-SG 3.26Å; C215-C259 WeakPolarHBondContact SG-CB 3.17Å; C215-C259 CovalentContact SG-SG 2.04Å; C215-C259 PolarHBondContact SG-SG 2.93Å; D222-C259 WeakPolarHBondContact O-CA 3.27Å; Y252-C259 PolarHBondContact N-O 2.98Å; Y252-C259 PolarHBondContact O-N 3.3Å |
| 260 | L | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.4 | -176.6 | -56.2 | -176.7 | 0 | 0 | 0 | 109.7 | D222 I223 I224 P249 E250 V251 P258 L274 V276 V284 W287 | D222-L260 PolarHBondContact O-N 3.42Å; I223-L260 CarbonylContact C-O 3.58Å; I223-L260 VanDerWaalsContact CA-O 3.28Å; I223-L260 WeakPolarHBondContact CA-O 3.13Å; I223-L260 HydrophobicContact CG1-CB 4.45Å; I223-L260 HydrophobicContact CG2-CB 4.41Å; I224-L260 PolarHBondContact N-O 2.99Å; P249-L260 HydrophobicContact CB-CB 3.93Å; P249-L260 HydrophobicContact CB-CD2 4.41Å; P249-L260 HydrophobicContact CG-CB 4.22Å; P249-L260 HydrophobicContact CG-CD1 4.3Å; P249-L260 HydrophobicContact CG-CD2 3.9Å; P249-L260 HydrophobicContact CG-CG 4.36Å; E250-L260 CarbonylContact O-C 3.54Å; E250-L260 WeakPolarHBondContact O-CA 3.3Å; V251-L260 HydrophobicContact CB-CD2 4.43Å; V251-L260 HydrophobicContact CG1-CD2 4.11Å; V251-L260 HydrophobicContact CG2-CD2 3.93Å; P258-L260 HydrophobicContact CB-CD2 4.49Å; L260-L274 HydrophobicContact CD1-CD2 4.11Å; L260-V276 HydrophobicContact CD1-CG2 4.32Å; L260-V284 HydrophobicContact CD1-CG1 4.12Å; L260-W287 HydrophobicContact CD1-CB 3.92Å; L260-W287 HydrophobicContact CD1-CD2 4.06Å; L260-W287 HydrophobicContact CD1-CE3 4.21Å; L260-W287 HydrophobicContact CD1-CG 3.94Å; L260-W287 HydrophobicContact CD2-CD2 3.92Å; L260-W287 HydrophobicContact CD2-CE3 4.1Å; L260-W287 HydrophobicContact CD2-CG 4.41Å; L260-W287 HydrophobicContact CD2-CH2 4.46Å; L260-W287 HydrophobicContact CD2-CZ2 4.3Å; L260-W287 HydrophobicContact CD2-CZ3 4.37Å |
| 261 | V | 96.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.9 | 172.1 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | I208 D211 C215 I224 P249 E250 Y252 | I208-V261 HydrophobicContact CD1-CG1 3.89Å; D211-V261 HydrophobicContact CB-CG1 3.88Å; D211-V261 HydrophobicContact CB-CG2 4.5Å; C215-V261 HydrophobicContact CB-CG2 4.25Å; C215-V261 WeakPolarHBondContact SG-CG2 3.08Å; I224-V261 HydrophobicContact CB-CG1 4.47Å; I224-V261 HydrophobicContact CB-CG2 4.44Å; I224-V261 HydrophobicContact CD1-CG2 4.34Å; P249-V261 CarbonylContact C-O 3.48Å; P249-V261 WeakPolarHBondContact CA-O 3.24Å; P249-V261 VanDerWaalsContact CB-O 3.29Å; P249-V261 WeakPolarHBondContact CB-O 3.09Å; E250-V261 HydrophobicContact CB-CB 4.24Å; E250-V261 PolarHBondContact N-O 2.92Å; E250-V261 PolarHBondContact O-N 2.77Å; Y252-V261 HydrophobicContact CD2-CG2 4.11Å; Y252-V261 HydrophobicContact CE2-CG2 4.2Å |
| 262 | I | 96.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136 | 173.5 | 52.4 | 167 | 0 | 0 | 0 | 111.3 | I223 I224 V225 G226 Y248 P249 L274 | I223-I262 HydrophobicContact CG2-CG1 4.41Å; I224-I262 VanDerWaalsContact O-CG1 3.3Å; I224-I262 WeakPolarHBondContact O-CG1 3.44Å; I224-I262 PolarHBondContact O-N 2.98Å; V225-I262 HydrophobicContact CG2-CD1 4.13Å; V225-I262 HydrophobicContact CG2-CG1 4.28Å; G226-I262 PolarHBondContact N-O 3.24Å; Y248-I262 HydrophobicContact CD1-CG2 3.99Å; Y248-I262 HydrophobicContact CD2-CB 4.16Å; Y248-I262 HydrophobicContact CD2-CG2 3.97Å; Y248-I262 HydrophobicContact CE1-CB 4.34Å; Y248-I262 HydrophobicContact CE1-CG2 3.61Å; Y248-I262 HydrophobicContact CE2-CB 3.53Å; Y248-I262 HydrophobicContact CE2-CG2 3.62Å; Y248-I262 HydrophobicContact CG-CG2 4.16Å; Y248-I262 VanDerWaalsContact CZ-CG2 3.42Å; P249-I262 HydrophobicContact CB-CG2 3.65Å; I262-L274 HydrophobicContact CD1-CB 3.79Å; I262-L274 HydrophobicContact CD1-CD2 4Å; I262-L274 HydrophobicContact CD1-CG 4.5Å; I262-L274 HydrophobicContact CG1-CD2 4.47Å; I262-L274 HydrophobicContact CG2-CB 4.36Å; I262-L274 HydrophobicContact CG2-CD1 4.07Å; I262-L274 HydrophobicContact CG2-CD2 3.91Å; I262-L274 HydrophobicContact CG2-CG 4.32Å |
| 263 | T | 94.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | trans | -139.7 | 133.4 | 170.3 | 58.3 | 0 | 0 | 0 | 0 | 106.5 | I208 G226 T231 L233 Y265 | I208-T263 HydrophobicContact CD1-CG2 4.31Å; G226-T263 WeakPolarHBondContact O-CG2 3.27Å; T231-T263 VanDerWaalsContact O-CB 3.28Å; T231-T263 WeakPolarHBondContact O-CB 3.49Å; T231-T263 PolarHBondContact O-OG1 3.38Å; L233-T263 WeakPolarHBondContact CD1-OG1 3.36Å; L233-T263 VanDerWaalsContact CG-OG1 3.3Å; L233-T263 WeakPolarHBondContact CG-OG1 3.11Å; L233-T263 PolarHBondContact N-O 3.45Å; T263-Y265 PolarHBondContact O-N 3.38Å | ||
| 264 | D | 90.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 43.3 | -169 | 65.3 | -37.7 | 0 | 0 | 0 | 112.7 | A6 G8 A266 G272 P291 | A6-D264 VanDerWaalsContact O-OD2 3.12Å; G8-D264 VanDerWaalsContact CA-OD1 3.28Å; G8-D264 WeakPolarHBondContact CA-OD1 3.35Å; G8-D264 PolarHBondContact N-OD1 2.82Å; D264-A266 PolarHBondContact O-N 2.65Å; D264-G272 PolarHBondContact OD2-N 2.74Å; D264-P291 HydrophobicContact CB-CB 3.99Å; D264-P291 HydrophobicContact CB-CG 3.99Å |
| 265 | Y | 86.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | trans | 58 | -107.2 | -164 | 175.9 | -133.9 | 0 | 0 | 0 | 109.1 | W11 V12 E21 N230 F232 E242 T263 Y267 K269 Y270 | W11-Y265 WeakPolarHBondContact O-CE2 3.43Å; V12-Y265 VanDerWaalsContact C-CE2 3.48Å; V12-Y265 HydrophobicContact CB-CD2 3.9Å; V12-Y265 HydrophobicContact CB-CE2 3.53Å; V12-Y265 HydrophobicContact CG1-CD2 3.99Å; V12-Y265 HydrophobicContact CG1-CE2 3.86Å; V12-Y265 PolarHBondContact O-OH 2.96Å; E21-Y265 WeakPolarHBondContact CB-OH 3.33Å; E21-Y265 HydrophobicContact CG-CE1 4.3Å; E21-Y265 WeakPolarHBondContact CG-OH 3.3Å; N230-Y265 CarbonylContact C-O 3.43Å; N230-Y265 WeakPolarHBondContact CA-O 3.32Å; N230-Y265 WeakPolarHBondContact CB-O 3.11Å; N230-Y265 CarbonylContact O-C 3.52Å; N230-Y265 WeakPolarHBondContact O-CA 3.34Å; N230-Y265 WeakPolarHBondContact O-CD2 3.45Å; N230-Y265 VanDerWaalsContact O-O 3.07Å; F232-Y265 HydrophobicContact CB-CD2 4.08Å; F232-Y265 HydrophobicContact CB-CG 4.26Å; E242-Y265 HydrophobicContact CG-CD1 3.84Å; E242-Y265 HydrophobicContact CG-CD2 4.37Å; E242-Y265 HydrophobicContact CG-CE1 3.58Å; E242-Y265 HydrophobicContact CG-CE2 4.16Å; E242-Y265 HydrophobicContact CG-CG 4.21Å; T263-Y265 PolarHBondContact O-N 3.38Å; Y265-Y267 HydrophobicContact CD1-CD2 4.42Å; Y265-Y267 AromaticContact CE1-CD2 3.6Å; Y265-Y267 HydrophobicContact CE1-CD2 3.6Å; Y265-Y267 AromaticContact CE1-CE2 3.91Å; Y265-Y267 HydrophobicContact CE1-CE2 3.91Å; Y265-Y267 HydrophobicContact CE2-CE2 4.45Å; Y265-Y267 AromaticContact CZ-CD2 3.8Å; Y265-Y267 AromaticContact CZ-CE2 3.61Å; Y265-Y267 WeakPolarHBondContact OH-CE2 3.28Å; Y265-K269 HydrophobicContact CD1-CB 4.18Å; Y265-K269 HydrophobicContact CD1-CD 4.35Å; Y265-K269 HydrophobicContact CE1-CB 4.35Å; Y265-K269 HydrophobicContact CE1-CD 4.08Å; Y265-Y270 AromaticContact CD1-CD2 3.77Å; Y265-Y270 HydrophobicContact CD1-CD2 3.77Å; Y265-Y270 AromaticContact CD1-CE2 3.71Å; Y265-Y270 HydrophobicContact CD1-CE2 3.71Å; Y265-Y270 HydrophobicContact CG-CD2 4.28Å; Y265-Y270 HydrophobicContact CG-CE2 4.29Å | ||
| 266 | A | 79.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -161.9 | 175.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S9 W11 N230 D264 G268 K269 | S9-A266 WeakPolarHBondContact O-CA 3.47Å; S9-A266 VanDerWaalsContact O-CB 3.31Å; S9-A266 WeakPolarHBondContact O-CB 3.31Å; W11-A266 WeakPolarHBondContact O-CB 3.45Å; N230-A266 HydrophobicContact CB-CB 4.12Å; D264-A266 PolarHBondContact O-N 2.65Å; A266-G268 PolarHBondContact O-N 2.77Å; A266-K269 PolarHBondContact O-N 3.2Å |
| 267 | Y | 74.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -4.7 | 153.2 | -55.7 | -30.2 | 0 | 0 | 0 | 116.3 | P10 W11 E21 A22 H23 A24 Y265 K269 D384 | P10-Y267 VanDerWaalsContact CA-CD1 3.41Å; P10-Y267 VanDerWaalsContact CA-CE1 3.43Å; P10-Y267 HydrophobicContact CB-CD1 3.47Å; P10-Y267 VanDerWaalsContact CB-CD1 3.47Å; P10-Y267 HydrophobicContact CB-CE1 3.59Å; P10-Y267 VanDerWaalsContact O-CE1 3.24Å; P10-Y267 WeakPolarHBondContact O-CE1 3.18Å; W11-Y267 WeakPolarHBondContact CA-OH 3.49Å; E21-Y267 VanDerWaalsContact C-CE2 3.42Å; E21-Y267 HydrophobicContact CB-CE2 4.1Å; A22-Y267 WeakPolarHBondContact O-CB 3.49Å; A22-Y267 WeakPolarHBondContact O-CD2 3.15Å; H23-Y267 VanDerWaalsContact C-CD1 3.42Å; H23-Y267 HydrophobicContact CB-CD1 4.43Å; H23-Y267 HydrophobicContact CB-CE1 4.41Å; H23-Y267 AromaticContact ND1-CE1 3.65Å; A24-Y267 VanDerWaalsContact CA-CA 3.45Å; Y265-Y267 HydrophobicContact CD1-CD2 4.42Å; Y265-Y267 AromaticContact CE1-CD2 3.6Å; Y265-Y267 HydrophobicContact CE1-CD2 3.6Å; Y265-Y267 AromaticContact CE1-CE2 3.91Å; Y265-Y267 HydrophobicContact CE1-CE2 3.91Å; Y265-Y267 HydrophobicContact CE2-CE2 4.45Å; Y265-Y267 AromaticContact CZ-CD2 3.8Å; Y265-Y267 AromaticContact CZ-CE2 3.61Å; Y265-Y267 WeakPolarHBondContact OH-CE2 3.28Å; Y267-K269 PolarHBondContact O-N 2.03Å; Y267-D384 VanDerWaalsContact OH-CB 3.26Å; Y267-D384 WeakPolarHBondContact OH-CB 3.44Å; Y267-D384 PolarHBondContact OH-OD2 2.82Å |
| 268 | G | 81.8 | Confident | 92 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 20.8 | -154.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G49 A266 Y270 L294 | G49-G268 WeakPolarHBondContact CA-O 3.32Å; A266-G268 PolarHBondContact O-N 2.77Å; G268-Y270 CarbonylContact C-O 3.57Å; G268-Y270 VanDerWaalsContact CA-O 3.24Å; G268-Y270 WeakPolarHBondContact CA-O 3.32Å; G268-Y270 PolarHBondContact O-N 2.67Å; G268-L294 WeakPolarHBondContact O-CD1 3.45Å |
| 269 | K | 86.6 | Confident | 92 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40.5 | 169.2 | -162.8 | -167.9 | 176.7 | -164.7 | 0 | 108.6 | F30 W48 S240 E242 Y265 A266 Y267 L293 L294 | F30-K269 HydrophobicContact CE2-CB 4.15Å; F30-K269 HydrophobicContact CE2-CD 4.4Å; F30-K269 HydrophobicContact CE2-CG 3.85Å; F30-K269 HydrophobicContact CZ-CB 3.67Å; F30-K269 HydrophobicContact CZ-CG 3.84Å; W48-K269 HydrophobicContact CB-CD 4.44Å; W48-K269 HydrophobicContact CB-CG 3.69Å; W48-K269 HydrophobicContact CG-CG 4.27Å; S240-K269 PolarHBondContact OG-NZ 2.6Å; E242-K269 VanDerWaalsContact OE1-CD 3.32Å; E242-K269 WeakPolarHBondContact OE1-CD 3.42Å; E242-K269 WeakPolarHBondContact OE1-CE 3.18Å; E242-K269 IonicContact OE1-NZ 3.48Å; E242-K269 PolarHBondContact OE1-NZ 3.27Å; E242-K269 IonicContact OE2-NZ 2.76Å; E242-K269 PolarHBondContact OE2-NZ 3.45Å; Y265-K269 HydrophobicContact CD1-CB 4.18Å; Y265-K269 HydrophobicContact CD1-CD 4.35Å; Y265-K269 HydrophobicContact CE1-CB 4.35Å; Y265-K269 HydrophobicContact CE1-CD 4.08Å; A266-K269 PolarHBondContact O-N 3.2Å; Y267-K269 PolarHBondContact O-N 2.03Å; K269-L293 HydrophobicContact CD-CD1 4.29Å; K269-L293 HydrophobicContact CG-CD1 4.17Å; K269-L294 PolarHBondContact O-N 3.32Å |
| 270 | Y | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 168.2 | 166.7 | -57.4 | -98.8 | 0 | 0 | 0 | 110.4 | F232 P239 S240 E242 Y265 G268 P291 I292 L293 | F232-Y270 HydrophobicContact CE2-CD1 4.29Å; F232-Y270 HydrophobicContact CE2-CD2 4.26Å; F232-Y270 AromaticContact CE2-CE1 3.96Å; F232-Y270 HydrophobicContact CE2-CE1 3.96Å; F232-Y270 AromaticContact CE2-CE2 3.95Å; F232-Y270 HydrophobicContact CE2-CE2 3.95Å; F232-Y270 HydrophobicContact CE2-CG 4.45Å; F232-Y270 AromaticContact CE2-CZ 3.8Å; F232-Y270 AromaticContact CZ-CE1 3.8Å; F232-Y270 HydrophobicContact CZ-CE1 3.8Å; F232-Y270 HydrophobicContact CZ-CE2 4.06Å; F232-Y270 AromaticContact CZ-CZ 3.52Å; P239-Y270 HydrophobicContact CG-CE1 3.69Å; S240-Y270 WeakPolarHBondContact CB-OH 3.38Å; E242-Y270 HydrophobicContact CG-CE2 4.34Å; E242-Y270 PolarHBondContact OE2-OH 2.89Å; Y265-Y270 AromaticContact CD1-CD2 3.77Å; Y265-Y270 HydrophobicContact CD1-CD2 3.77Å; Y265-Y270 AromaticContact CD1-CE2 3.71Å; Y265-Y270 HydrophobicContact CD1-CE2 3.71Å; Y265-Y270 HydrophobicContact CG-CD2 4.28Å; Y265-Y270 HydrophobicContact CG-CE2 4.29Å; G268-Y270 CarbonylContact C-O 3.57Å; G268-Y270 VanDerWaalsContact CA-O 3.24Å; G268-Y270 WeakPolarHBondContact CA-O 3.32Å; G268-Y270 PolarHBondContact O-N 2.67Å; Y270-P291 HydrophobicContact CD1-CB 3.69Å; Y270-P291 HydrophobicContact CG-CB 3.78Å; Y270-I292 CarbonylContact C-O 3.58Å; Y270-I292 WeakPolarHBondContact CA-O 3.11Å; Y270-L293 HydrophobicContact CD1-CB 4.02Å; Y270-L293 HydrophobicContact CD1-CD1 4.26Å; Y270-L293 HydrophobicContact CE1-CB 3.93Å; Y270-L293 HydrophobicContact CE1-CD1 3.86Å; Y270-L293 HydrophobicContact CE1-CG 4.5Å; Y270-L293 HydrophobicContact CE2-CD1 4.37Å |
| 271 | L | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 110.4 | 166.5 | -179.7 | 69.5 | 0 | 0 | 0 | 106.9 | V5 T7 R54 A57 V58 I61 R273 I292 L294 | V5-L271 HydrophobicContact CG1-CD1 3.56Å; V5-L271 HydrophobicContact CG1-CD2 3.73Å; V5-L271 HydrophobicContact CG1-CG 3.56Å; T7-L271 HydrophobicContact CG2-CD1 3.79Å; R54-L271 HydrophobicContact CG-CD1 3.94Å; A57-L271 HydrophobicContact CB-CD2 3.73Å; V58-L271 HydrophobicContact CG2-CD1 4.25Å; V58-L271 HydrophobicContact CG2-CD2 3.91Å; I61-L271 HydrophobicContact CD1-CD2 4.21Å; L271-R273 PolarHBondContact O-N 2.98Å; L271-I292 HydrophobicContact CB-CB 4.46Å; L271-I292 PolarHBondContact N-O 2.73Å; L271-I292 PolarHBondContact O-N 3.42Å; L271-L294 HydrophobicContact CB-CD1 4.33Å; L271-L294 HydrophobicContact CB-CD2 4.1Å; L271-L294 HydrophobicContact CB-CG 4.3Å |
| 272 | G | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 125.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V5 A6 D264 | V5-G272 CarbonylContact C-O 3.47Å; V5-G272 VanDerWaalsContact CA-O 3.24Å; V5-G272 WeakPolarHBondContact CA-O 3.37Å; A6-G272 PolarHBondContact N-O 3.5Å; A6-G272 PolarHBondContact O-N 2.99Å; D264-G272 PolarHBondContact OD2-N 2.74Å |
| 273 | R | 96.5 | Very high | 90.8 | Very high | 40 Ų | 40 | 28.8 Ų | 28.8 | 15% | 0.151 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118 | 171.7 | 176.5 | 176.8 | 167.8 | 154.8 | -1.4 | 110.2 | L4 E65 Y248 L271 D275 G289 N290 I292 | L4-R273 WeakPolarHBondContact O-CA 3.36Å; E65-R273 IonicContact OE1-CZ 2.67Å; E65-R273 IonicContact OE1-NH1 3.79Å; E65-R273 IonicContact OE1-NH2 3.45Å; E65-R273 PolarHBondContact OE1-NH2 3.32Å; Y248-R273 VanDerWaalsContact CE1-O 3.25Å; Y248-R273 WeakPolarHBondContact CE1-O 3.42Å; Y248-R273 PolarHBondContact OH-N 3.15Å; Y248-R273 PolarHBondContact OH-O 3.07Å; L271-R273 PolarHBondContact O-N 2.98Å; R273-D275 WeakPolarHBondContact CG-OD1 3.42Å; R273-D275 IonicContact CZ-OD1 3.67Å; R273-D275 IonicContact CZ-OD2 2.77Å; R273-D275 IonicContact NE-OD1 3.48Å; R273-D275 PolarHBondContact NE-OD1 2.83Å; R273-D275 IonicContact NE-OD2 3.19Å; R273-D275 PolarHBondContact NE-OD2 3.25Å; R273-D275 IonicContact NH2-OD1 3.64Å; R273-D275 PolarHBondContact NH2-OD1 2.7Å; R273-D275 IonicContact NH2-OD2 3.53Å; R273-D275 PolarHBondContact NH2-OD2 3.19Å; R273-G289 CarbonylContact O-C 3.59Å; R273-G289 WeakPolarHBondContact O-CA 3.45Å; R273-N290 PolarHBondContact N-O 3.22Å; R273-N290 PolarHBondContact O-N 3.12Å; R273-N290 VanDerWaalsContact O-N 3.11Å; R273-I292 HydrophobicContact CB-CD1 3.81Å; R273-I292 HydrophobicContact CB-CG1 4.09Å; R273-I292 HydrophobicContact CG-CD1 4.42Å |
| 274 | L | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.5 | 172.2 | -175.1 | 76.9 | 0 | 0 | 0 | 110.5 | L4 I223 Y248 P249 L260 I262 V276 W287 | L4-L274 PolarHBondContact N-O 2.72Å; L4-L274 PolarHBondContact O-N 3.06Å; I223-L274 HydrophobicContact CD1-CD2 4.4Å; I223-L274 HydrophobicContact CG2-CD2 3.95Å; Y248-L274 HydrophobicContact CD1-CD1 4.35Å; Y248-L274 HydrophobicContact CE1-CB 4.04Å; Y248-L274 HydrophobicContact CE1-CD1 3.93Å; P249-L274 HydrophobicContact CB-CD1 4.34Å; P249-L274 HydrophobicContact CG-CD1 4.06Å; L260-L274 HydrophobicContact CD1-CD2 4.11Å; I262-L274 HydrophobicContact CD1-CB 3.79Å; I262-L274 HydrophobicContact CD1-CD2 4Å; I262-L274 HydrophobicContact CD1-CG 4.5Å; I262-L274 HydrophobicContact CG1-CD2 4.47Å; I262-L274 HydrophobicContact CG2-CB 4.36Å; I262-L274 HydrophobicContact CG2-CD1 4.07Å; I262-L274 HydrophobicContact CG2-CD2 3.91Å; I262-L274 HydrophobicContact CG2-CG 4.32Å; L274-V276 HydrophobicContact CD2-CG2 3.56Å; L274-V276 HydrophobicContact CG-CG2 3.6Å; L274-W287 HydrophobicContact CD1-CB 4.37Å |
| 275 | D | 96.3 | Very high | 91 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.4 | 178.1 | -55 | -14.5 | 0 | 0 | 0 | 108.9 | M1 I3 R273 W287 S288 | M1-D275 HydrophobicContact CE-CB 3.75Å; I3-D275 HydrophobicContact CG1-CB 4.14Å; R273-D275 WeakPolarHBondContact CG-OD1 3.42Å; R273-D275 IonicContact CZ-OD1 3.67Å; R273-D275 IonicContact CZ-OD2 2.77Å; R273-D275 IonicContact NE-OD1 3.48Å; R273-D275 PolarHBondContact NE-OD1 2.83Å; R273-D275 IonicContact NE-OD2 3.19Å; R273-D275 PolarHBondContact NE-OD2 3.25Å; R273-D275 IonicContact NH2-OD1 3.64Å; R273-D275 PolarHBondContact NH2-OD1 2.7Å; R273-D275 IonicContact NH2-OD2 3.53Å; R273-D275 PolarHBondContact NH2-OD2 3.19Å; D275-W287 CarbonylContact O-C 3.55Å; D275-W287 WeakPolarHBondContact O-CA 3.3Å; D275-S288 PolarHBondContact N-O 2.98Å; D275-S288 PolarHBondContact O-N 2.73Å |
| 276 | V | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.2 | -172.4 | -171 | 0 | 0 | 0 | 0 | 112.4 | M1 L2 I223 L260 L274 F278 V284 W287 | M1-V276 WeakPolarHBondContact CA-O 3.48Å; L2-V276 PolarHBondContact N-O 3.47Å; L2-V276 PolarHBondContact O-N 3.14Å; I223-V276 HydrophobicContact CD1-CB 4.34Å; I223-V276 HydrophobicContact CD1-CG1 4.35Å; I223-V276 HydrophobicContact CD1-CG2 3.81Å; L260-V276 HydrophobicContact CD1-CG2 4.32Å; L274-V276 HydrophobicContact CD2-CG2 3.56Å; L274-V276 HydrophobicContact CG-CG2 3.6Å; V276-F278 HydrophobicContact CB-CD2 4.49Å; V276-F278 HydrophobicContact CB-CE2 3.89Å; V276-F278 HydrophobicContact CB-CZ 4.45Å; V276-F278 HydrophobicContact CG1-CD2 3.99Å; V276-F278 HydrophobicContact CG1-CE1 4.42Å; V276-F278 HydrophobicContact CG1-CE2 3.5Å; V276-F278 VanDerWaalsContact CG1-CE2 3.5Å; V276-F278 HydrophobicContact CG1-CZ 3.76Å; V276-V284 HydrophobicContact CG1-CB 4.46Å; V276-V284 HydrophobicContact CG1-CG1 3.95Å; V276-V284 HydrophobicContact CG1-CG2 3.9Å; V276-W287 HydrophobicContact CG2-CB 4.45Å |
| 277 | Q | 95.5 | Very high | 92.2 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.3 | 173.3 | -57.8 | -168.2 | 17.6 | 0 | 0 | 110.7 | M1 V284 I285 A286 | M1-Q277 HydrophobicContact CG-CG 4.3Å; Q277-V284 WeakPolarHBondContact O-CA 3.45Å; Q277-I285 HydrophobicContact CB-CG1 4.08Å; Q277-I285 VanDerWaalsContact O-CG1 3.26Å; Q277-I285 WeakPolarHBondContact O-CG1 3.42Å; Q277-I285 PolarHBondContact O-N 3.03Å; Q277-A286 HydrophobicContact CB-CB 4.24Å; Q277-A286 HydrophobicContact CG-CB 4.49Å; Q277-A286 PolarHBondContact N-O 3.1Å |
| 278 | F | 94.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.6 | 176.9 | -64.3 | -92.3 | 0 | 0 | 0 | 110.2 | L2 I199 D222 I223 V276 G282 K283 V284 | L2-F278 HydrophobicContact CB-CD2 4.34Å; L2-F278 HydrophobicContact CB-CE2 4.05Å; L2-F278 HydrophobicContact CD2-CE2 3.89Å; I199-F278 HydrophobicContact CB-CE1 4.32Å; I199-F278 HydrophobicContact CD1-CB 4.1Å; I199-F278 HydrophobicContact CD1-CD1 3.86Å; I199-F278 HydrophobicContact CD1-CD2 3.82Å; I199-F278 HydrophobicContact CD1-CE1 4.13Å; I199-F278 HydrophobicContact CD1-CE2 4.14Å; I199-F278 HydrophobicContact CD1-CG 3.67Å; I199-F278 HydrophobicContact CD1-CZ 4.27Å; I199-F278 HydrophobicContact CG1-CD1 3.79Å; I199-F278 HydrophobicContact CG1-CE1 3.88Å; I199-F278 HydrophobicContact CG1-CG 4.14Å; I199-F278 HydrophobicContact CG1-CZ 4.35Å; I199-F278 HydrophobicContact CG2-CD1 4.41Å; I199-F278 HydrophobicContact CG2-CE1 3.64Å; I199-F278 HydrophobicContact CG2-CE2 4.19Å; I199-F278 HydrophobicContact CG2-CZ 3.52Å; D222-F278 HydrophobicContact CB-CE1 4.2Å; I223-F278 HydrophobicContact CD1-CZ 3.97Å; V276-F278 HydrophobicContact CB-CD2 4.49Å; V276-F278 HydrophobicContact CB-CE2 3.89Å; V276-F278 HydrophobicContact CB-CZ 4.45Å; V276-F278 HydrophobicContact CG1-CD2 3.99Å; V276-F278 HydrophobicContact CG1-CE1 4.42Å; V276-F278 HydrophobicContact CG1-CE2 3.5Å; V276-F278 VanDerWaalsContact CG1-CE2 3.5Å; V276-F278 HydrophobicContact CG1-CZ 3.76Å; F278-G282 VanDerWaalsContact CD1-O 3.31Å; F278-G282 WeakPolarHBondContact CD1-O 3.46Å; F278-K283 WeakPolarHBondContact CA-O 3.03Å; F278-V284 HydrophobicContact CD1-CG2 3.75Å; F278-V284 HydrophobicContact CE1-CB 4.48Å; F278-V284 HydrophobicContact CE1-CG2 3.3Å; F278-V284 HydrophobicContact CZ-CG2 3.89Å |
| 279 | N | 93.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 44 Ų | 44 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | trans | -84.9 | 176.4 | 169.5 | 65.3 | 44.6 | 0 | 0 | 0 | 112.2 | R281 G282 K283 I285 | N279-R281 PolarHBondContact O-N 2.89Å; N279-R281 WeakPolarHBondContact OD1-CA 3.21Å; N279-R281 WeakPolarHBondContact OD1-CB 3.33Å; N279-R281 PolarHBondContact OD1-N 3.01Å; N279-G282 WeakPolarHBondContact O-CA 2.98Å; N279-G282 PolarHBondContact O-N 2.77Å; N279-K283 PolarHBondContact N-O 2.96Å; N279-K283 PolarHBondContact ND2-O 3.14Å; N279-K283 PolarHBondContact OD1-N 2.93Å; N279-I285 HydrophobicContact CB-CD1 4.39Å; N279-I285 HydrophobicContact CB-CG2 4.04Å; N279-I285 VanDerWaalsContact ND2-CG2 3.26Å; N279-I285 WeakPolarHBondContact ND2-CG2 3.26Å | ||
| 280 | S | 89.8 | Confident | 94.3 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 76% | 0.755 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.8 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 115.9 | K198 G282 | K198-S280 PolarHBondContact NZ-O 2.81Å; S280-G282 VanDerWaalsContact C-N 3.34Å |
| 281 | R | 90.6 | Very high | 94.5 | Very high | 188 Ų | 188 | 45.7 Ų | 45.7 | 71% | 0.709 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 11.1 | 170.2 | -59.8 | -177.9 | -71.6 | -176.8 | -4.6 | 112.4 | R257 N279 K283 | R257-R281 PolarHBondContact NH1-O 3.39Å; N279-R281 PolarHBondContact O-N 2.89Å; N279-R281 WeakPolarHBondContact OD1-CA 3.21Å; N279-R281 WeakPolarHBondContact OD1-CB 3.33Å; N279-R281 PolarHBondContact OD1-N 3.01Å; R281-K283 PolarHBondContact O-N 3.35Å; R281-K283 VanDerWaalsContact O-N 3.16Å |
| 282 | G | 91.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 61.5 | 16.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K198 R257 F278 N279 S280 | K198-G282 WeakPolarHBondContact O-CA 3.46Å; K198-G282 VanDerWaalsContact O-O 3.1Å; R257-G282 PolarHBondContact NH2-O 3.02Å; F278-G282 VanDerWaalsContact CD1-O 3.31Å; F278-G282 WeakPolarHBondContact CD1-O 3.46Å; N279-G282 WeakPolarHBondContact O-CA 2.98Å; N279-G282 PolarHBondContact O-N 2.77Å; S280-G282 VanDerWaalsContact C-N 3.34Å |
| 283 | K | 92.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 30% | 0.3 | 25% | 0.253 | S | S | . | . | trans | -84.3 | 131.5 | 173.7 | 165.5 | 168.5 | 177 | 173.6 | 0 | 108.9 | G256 R257 F278 N279 R281 | G256-K283 PolarHBondContact O-NZ 2.64Å; R257-K283 HydrophobicContact CG-CD 4.43Å; F278-K283 WeakPolarHBondContact CA-O 3.03Å; N279-K283 PolarHBondContact N-O 2.96Å; N279-K283 PolarHBondContact ND2-O 3.14Å; N279-K283 PolarHBondContact OD1-N 2.93Å; R281-K283 PolarHBondContact O-N 3.35Å; R281-K283 VanDerWaalsContact O-N 3.16Å | ||
| 284 | V | 94.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 131.8 | 167.6 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | D222 P258 L260 V276 Q277 F278 W287 | D222-V284 HydrophobicContact CB-CG2 4.28Å; P258-V284 HydrophobicContact CG-CB 4Å; P258-V284 HydrophobicContact CG-CG1 4.21Å; L260-V284 HydrophobicContact CD1-CG1 4.12Å; V276-V284 HydrophobicContact CG1-CB 4.46Å; V276-V284 HydrophobicContact CG1-CG1 3.95Å; V276-V284 HydrophobicContact CG1-CG2 3.9Å; Q277-V284 WeakPolarHBondContact O-CA 3.45Å; F278-V284 HydrophobicContact CD1-CG2 3.75Å; F278-V284 HydrophobicContact CE1-CB 4.48Å; F278-V284 HydrophobicContact CE1-CG2 3.3Å; F278-V284 HydrophobicContact CZ-CG2 3.89Å; V284-W287 HydrophobicContact CG1-CE3 3.45Å; V284-W287 VanDerWaalsContact CG1-CE3 3.45Å; V284-W287 HydrophobicContact CG1-CZ3 3.8Å |
| 285 | I | 94.5 | Very high | 94 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -24.1 | 180 | 53.1 | 166.4 | 0 | 0 | 0 | 114 | Q277 N279 | Q277-I285 HydrophobicContact CB-CG1 4.08Å; Q277-I285 VanDerWaalsContact O-CG1 3.26Å; Q277-I285 WeakPolarHBondContact O-CG1 3.42Å; Q277-I285 PolarHBondContact O-N 3.03Å; N279-I285 HydrophobicContact CB-CD1 4.39Å; N279-I285 HydrophobicContact CB-CG2 4.04Å; N279-I285 VanDerWaalsContact ND2-CG2 3.26Å; N279-I285 WeakPolarHBondContact ND2-CG2 3.26Å |
| 286 | A | 95.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 154.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q277 | Q277-A286 HydrophobicContact CB-CB 4.24Å; Q277-A286 HydrophobicContact CG-CB 4.49Å; Q277-A286 PolarHBondContact N-O 3.1Å |
| 287 | W | 96.1 | Very high | 93.4 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 153.4 | 174.8 | 54.4 | 90.2 | 0 | 0 | 0 | 110.3 | P249 V251 P258 L260 L274 D275 V276 V284 | P249-W287 VanDerWaalsContact CD-CD1 3.46Å; P249-W287 VanDerWaalsContact CG-CD1 3.42Å; P249-W287 HydrophobicContact CG-CG 4.15Å; V251-W287 HydrophobicContact CB-CZ2 4.45Å; V251-W287 HydrophobicContact CG1-CH2 4.01Å; V251-W287 HydrophobicContact CG1-CZ2 3.9Å; V251-W287 HydrophobicContact CG2-CZ2 3.67Å; P258-W287 HydrophobicContact CG-CZ3 4.33Å; L260-W287 HydrophobicContact CD1-CB 3.92Å; L260-W287 HydrophobicContact CD1-CD2 4.06Å; L260-W287 HydrophobicContact CD1-CE3 4.21Å; L260-W287 HydrophobicContact CD1-CG 3.94Å; L260-W287 HydrophobicContact CD2-CD2 3.92Å; L260-W287 HydrophobicContact CD2-CE3 4.1Å; L260-W287 HydrophobicContact CD2-CG 4.41Å; L260-W287 HydrophobicContact CD2-CH2 4.46Å; L260-W287 HydrophobicContact CD2-CZ2 4.3Å; L260-W287 HydrophobicContact CD2-CZ3 4.37Å; L274-W287 HydrophobicContact CD1-CB 4.37Å; D275-W287 CarbonylContact O-C 3.55Å; D275-W287 WeakPolarHBondContact O-CA 3.3Å; V276-W287 HydrophobicContact CG2-CB 4.45Å; V284-W287 HydrophobicContact CG1-CE3 3.45Å; V284-W287 VanDerWaalsContact CG1-CE3 3.45Å; V284-W287 HydrophobicContact CG1-CZ3 3.8Å |
| 288 | S | 96.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 167.1 | 173.9 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | D275 | D275-S288 PolarHBondContact N-O 2.98Å; D275-S288 PolarHBondContact O-N 2.73Å |
| 289 | G | 93.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.4 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R273 | R273-G289 CarbonylContact O-C 3.59Å; R273-G289 WeakPolarHBondContact O-CA 3.45Å |
| 290 | N | 96.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | trans | -164 | 162.9 | 179.7 | -96.6 | -31.2 | 0 | 0 | 0 | 107.3 | Y234 S235 R273 I292 | Y234-N290 HydrophobicContact CD2-CB 4.11Å; Y234-N290 VanDerWaalsContact CE1-ND2 3.34Å; Y234-N290 WeakPolarHBondContact CE1-ND2 3.3Å; Y234-N290 HydrophobicContact CE2-CB 3.62Å; Y234-N290 VanDerWaalsContact CZ-ND2 3.3Å; S235-N290 PolarHBondContact N-OD1 2.78Å; S235-N290 PolarHBondContact O-ND2 2.74Å; R273-N290 PolarHBondContact N-O 3.22Å; R273-N290 PolarHBondContact O-N 3.12Å; R273-N290 VanDerWaalsContact O-N 3.11Å; N290-I292 PolarHBondContact O-N 3.1Å | ||
| 291 | P | 95.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | trans | -57 | 127 | 165 | -24.5 | 36.1 | 0 | 0 | 0 | 111.7 | F232 L233 Y234 Y248 D264 Y270 | F232-P291 HydrophobicContact CD2-CG 4.45Å; F232-P291 HydrophobicContact CE2-CB 4.13Å; F232-P291 HydrophobicContact CE2-CG 4.03Å; L233-P291 WeakPolarHBondContact O-CG 3.46Å; Y234-P291 HydrophobicContact CD2-CG 4.32Å; Y248-P291 HydrophobicContact CD2-CG 3.73Å; Y248-P291 HydrophobicContact CE2-CG 3.7Å; Y248-P291 HydrophobicContact CG-CG 4.46Å; D264-P291 HydrophobicContact CB-CB 3.99Å; D264-P291 HydrophobicContact CB-CG 3.99Å; Y270-P291 HydrophobicContact CD1-CB 3.69Å; Y270-P291 HydrophobicContact CG-CB 3.78Å | ||
| 292 | I | 94.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.8 | -179.9 | -58.8 | 172.2 | 0 | 0 | 0 | 109 | I61 Y270 L271 R273 N290 L294 F298 | I61-I292 HydrophobicContact CD1-CD1 3.9Å; Y270-I292 CarbonylContact C-O 3.58Å; Y270-I292 WeakPolarHBondContact CA-O 3.11Å; L271-I292 HydrophobicContact CB-CB 4.46Å; L271-I292 PolarHBondContact N-O 2.73Å; L271-I292 PolarHBondContact O-N 3.42Å; R273-I292 HydrophobicContact CB-CD1 3.81Å; R273-I292 HydrophobicContact CB-CG1 4.09Å; R273-I292 HydrophobicContact CG-CD1 4.42Å; N290-I292 PolarHBondContact O-N 3.1Å; I292-L294 PolarHBondContact O-N 2.82Å; I292-F298 HydrophobicContact CG2-CE2 3.79Å; I292-F298 HydrophobicContact CG2-CZ 3.72Å |
| 293 | L | 94.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 125.3 | 176.1 | -176.5 | 71.7 | 0 | 0 | 0 | 111 | W48 P239 K269 Y270 D295 | W48-L293 HydrophobicContact CG-CD1 4.39Å; P239-L293 HydrophobicContact CB-CB 4.45Å; P239-L293 HydrophobicContact CB-CD2 4.44Å; P239-L293 HydrophobicContact CG-CB 3.93Å; P239-L293 HydrophobicContact CG-CD2 4.48Å; K269-L293 HydrophobicContact CD-CD1 4.29Å; K269-L293 HydrophobicContact CG-CD1 4.17Å; Y270-L293 HydrophobicContact CD1-CB 4.02Å; Y270-L293 HydrophobicContact CD1-CD1 4.26Å; Y270-L293 HydrophobicContact CE1-CB 3.93Å; Y270-L293 HydrophobicContact CE1-CD1 3.86Å; Y270-L293 HydrophobicContact CE1-CG 4.5Å; Y270-L293 HydrophobicContact CE2-CD1 4.37Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 HydrophobicContact CD2-CB 3.9Å; L293-D295 HydrophobicContact CG-CB 4.05Å; L293-D295 PolarHBondContact O-N 3.29Å; L293-D295 VanDerWaalsContact O-N 3.15Å |
| 294 | L | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -89.3 | 65 | 177.5 | -60.8 | -170.7 | 0 | 0 | 0 | 111.1 | W48 G49 R53 R54 A57 G268 K269 L271 I292 F298 | W48-L294 CarbonylContact C-O 3.49Å; W48-L294 WeakPolarHBondContact CA-O 3.49Å; G49-L294 PolarHBondContact N-O 2.66Å; R53-L294 HydrophobicContact CB-CB 4.37Å; R53-L294 WeakPolarHBondContact CD-O 3.24Å; R53-L294 PolarHBondContact NH1-O 3.42Å; R54-L294 HydrophobicContact CB-CD1 3.81Å; R54-L294 HydrophobicContact CG-CD1 3.97Å; A57-L294 HydrophobicContact CB-CD2 3.69Å; G268-L294 WeakPolarHBondContact O-CD1 3.45Å; K269-L294 PolarHBondContact O-N 3.32Å; L271-L294 HydrophobicContact CB-CD1 4.33Å; L271-L294 HydrophobicContact CB-CD2 4.1Å; L271-L294 HydrophobicContact CB-CG 4.3Å; I292-L294 PolarHBondContact O-N 2.82Å; L294-F298 HydrophobicContact CD2-CD2 4.11Å; L294-F298 HydrophobicContact CD2-CE2 4.16Å | ||
| 295 | D | 91.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -88.9 | -168.7 | 177.3 | 84.2 | -16.9 | 0 | 0 | 0 | 112.4 | N45 R53 L293 T297 F298 | N45-D295 PolarHBondContact ND2-OD2 2.93Å; N45-D295 WeakPolarHBondContact OD1-CB 3.25Å; R53-D295 VanDerWaalsContact CD-O 3.31Å; R53-D295 WeakPolarHBondContact CD-O 3.39Å; R53-D295 VanDerWaalsContact CZ-C 3.45Å; R53-D295 VanDerWaalsContact CZ-O 3.29Å; R53-D295 PolarHBondContact NE-O 3.29Å; R53-D295 PolarHBondContact NH1-O 2.89Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 HydrophobicContact CD2-CB 3.9Å; L293-D295 HydrophobicContact CG-CB 4.05Å; L293-D295 PolarHBondContact O-N 3.29Å; L293-D295 VanDerWaalsContact O-N 3.15Å; D295-T297 PolarHBondContact O-N 2.94Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CB 3.44Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.37Å; D295-T297 PolarHBondContact OD1-N 3.43Å; D295-T297 PolarHBondContact OD1-OG1 2.91Å; D295-F298 PolarHBondContact O-N 3.19Å |
| 296 | N | 89.7 | Confident | 93.1 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 2.6 | -178.8 | 81 | 2 | 0 | 0 | 0 | 115.5 | V42 N45 F298 | V42-N296 PolarHBondContact O-ND2 3.35Å; N45-N296 WeakPolarHBondContact CB-ND2 3.4Å; N45-N296 VanDerWaalsContact CG-CG 3.4Å; N45-N296 VanDerWaalsContact CG-OD1 3.24Å; N45-N296 WeakPolarHBondContact OD1-CB 3.21Å; N45-N296 PolarHBondContact OD1-N 2.92Å; N45-N296 PolarHBondContact OD1-OD1 2.59Å; N296-F298 PolarHBondContact O-N 3.05Å |
| 297 | T | 91.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.5 | 166.6 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | D295 | D295-T297 PolarHBondContact O-N 2.94Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CB 3.44Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.37Å; D295-T297 PolarHBondContact OD1-N 3.43Å; D295-T297 PolarHBondContact OD1-OG1 2.91Å |
| 298 | F | 91.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 54 Ų | 54 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -103 | 117.3 | 166.9 | -63.6 | -86.7 | 0 | 0 | 0 | 110 | R53 T56 A57 I292 L294 D295 N296 | R53-F298 HydrophobicContact CB-CB 4.1Å; R53-F298 WeakPolarHBondContact CD-O 3.38Å; R53-F298 HydrophobicContact CG-CB 4.27Å; R53-F298 PolarHBondContact NE-O 2.86Å; T56-F298 HydrophobicContact CG2-CD1 4.4Å; A57-F298 HydrophobicContact CB-CD1 3.69Å; A57-F298 HydrophobicContact CB-CE1 3.51Å; A57-F298 HydrophobicContact CB-CG 4.4Å; A57-F298 HydrophobicContact CB-CZ 4.08Å; I292-F298 HydrophobicContact CG2-CE2 3.79Å; I292-F298 HydrophobicContact CG2-CZ 3.72Å; L294-F298 HydrophobicContact CD2-CD2 4.11Å; L294-F298 HydrophobicContact CD2-CE2 4.16Å; D295-F298 PolarHBondContact O-N 3.19Å; N296-F298 PolarHBondContact O-N 3.05Å |
| 299 | E | 92.5 | Very high | 91.8 | Very high | 166 Ų | 166 | 56.7 Ų | 56.7 | 78% | 0.776 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 147.4 | 166 | -64.4 | -174.7 | 159.5 | 0 | 0 | 109.9 | T56 | T56-E299 WeakPolarHBondContact CB-O 3.22Å; T56-E299 WeakPolarHBondContact CG2-O 3.37Å; T56-E299 PolarHBondContact OG1-O 3.26Å |
| 300 | D | 91.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 129.7 | 176.5 | -67.5 | -76.3 | 0 | 0 | 0 | 110.6 | R29 A52 R53 A305 | R29-D300 WeakPolarHBondContact CD-OD1 3.08Å; R29-D300 WeakPolarHBondContact CD-OD2 3.47Å; R29-D300 IonicContact CZ-OD2 2.86Å; R29-D300 IonicContact NE-OD2 3.3Å; R29-D300 IonicContact NH1-OD2 3.09Å; R29-D300 PolarHBondContact NH1-OD2 2.82Å; A52-D300 HydrophobicContact CB-CB 3.73Å; R53-D300 VanDerWaalsContact CG-OD1 3.27Å; R53-D300 WeakPolarHBondContact CG-OD1 3.39Å; D300-A305 HydrophobicContact CB-CB 4.21Å |
| 301 | D | 94.9 | Very high | 91 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 124.5 | 170.9 | -178.6 | -66.1 | 0 | 0 | 0 | 110.2 | A52 M55 T56 E303 V304 A305 | A52-D301 WeakPolarHBondContact O-CB 3.35Å; A52-D301 PolarHBondContact O-N 2.74Å; M55-D301 HydrophobicContact CB-CB 3.91Å; M55-D301 HydrophobicContact CG-CB 3.83Å; M55-D301 VanDerWaalsContact CG-OD2 3.32Å; M55-D301 WeakPolarHBondContact CG-OD2 3.38Å; T56-D301 PolarHBondContact OG1-N 3.28Å; D301-E303 VanDerWaalsContact C-N 3.35Å; D301-E303 PolarHBondContact O-N 3.48Å; D301-E303 PolarHBondContact OD1-N 3.43Å; D301-V304 HydrophobicContact CB-CB 4.15Å; D301-V304 HydrophobicContact CB-CG2 4.13Å; D301-V304 PolarHBondContact O-N 2.76Å; D301-V304 PolarHBondContact OD1-N 3.03Å; D301-V304 VanDerWaalsContact OD1-N 3.15Å; D301-A305 WeakPolarHBondContact O-CB 3.41Å; D301-A305 PolarHBondContact O-N 3.12Å |
| 302 | P | 94.5 | Very high | 90.3 | Very high | 110 Ų | 110 | 62.9 Ų | 62.9 | 71% | 0.714 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.4 | -19.2 | -167.7 | 30 | -36.7 | 0 | 0 | 0 | 114.2 | ||
| 303 | E | 92 | Very high | 89.8 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -79 | -47.9 | 173.2 | -175 | 166 | -157.3 | 0 | 0 | 109.3 | D301 A305 K306 D307 | D301-E303 VanDerWaalsContact C-N 3.35Å; D301-E303 PolarHBondContact O-N 3.48Å; D301-E303 PolarHBondContact OD1-N 3.43Å; E303-A305 PolarHBondContact O-N 3.31Å; E303-K306 PolarHBondContact O-N 2.85Å; E303-D307 PolarHBondContact O-N 3.18Å |
| 304 | V | 90.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | V51 A52 M55 L97 D301 K306 D307 V308 | V51-V304 HydrophobicContact CG1-CG1 3.53Å; A52-V304 HydrophobicContact CB-CB 4.01Å; A52-V304 HydrophobicContact CB-CG1 3.88Å; M55-V304 HydrophobicContact CB-CG2 4Å; M55-V304 HydrophobicContact CG-CG2 3.86Å; L97-V304 HydrophobicContact CD1-CG2 4.11Å; D301-V304 HydrophobicContact CB-CB 4.15Å; D301-V304 HydrophobicContact CB-CG2 4.13Å; D301-V304 PolarHBondContact O-N 2.76Å; D301-V304 PolarHBondContact OD1-N 3.03Å; D301-V304 VanDerWaalsContact OD1-N 3.15Å; V304-K306 VanDerWaalsContact C-N 3.29Å; V304-K306 PolarHBondContact O-N 2.82Å; V304-D307 PolarHBondContact O-N 2.9Å; V304-V308 HydrophobicContact CG1-CG2 4.42Å; V304-V308 WeakPolarHBondContact O-CG2 3.37Å; V304-V308 PolarHBondContact O-N 2.8Å |
| 305 | A | 90.2 | Very high | 89 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A52 D300 D301 E303 V308 E309 | A52-A305 HydrophobicContact CB-CB 4.13Å; D300-A305 HydrophobicContact CB-CB 4.21Å; D301-A305 WeakPolarHBondContact O-CB 3.41Å; D301-A305 PolarHBondContact O-N 3.12Å; E303-A305 PolarHBondContact O-N 3.31Å; A305-V308 WeakPolarHBondContact O-CB 3.49Å; A305-V308 PolarHBondContact O-N 3.02Å; A305-E309 PolarHBondContact O-N 2.83Å |
| 306 | K | 90.9 | Very high | 88.6 | Confident | 148 Ų | 148 | 74.3 Ų | 74.3 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.1 | -39.6 | 177.6 | -178 | -172.2 | 173.6 | -167.6 | 0 | 112.4 | E303 V304 V308 K310 | E303-K306 PolarHBondContact O-N 2.85Å; V304-K306 VanDerWaalsContact C-N 3.29Å; V304-K306 PolarHBondContact O-N 2.82Å; K306-V308 VanDerWaalsContact C-N 3.27Å; K306-K310 PolarHBondContact O-N 2.9Å |
| 307 | D | 87.5 | Confident | 88.3 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 171.7 | -86.4 | -22.2 | 0 | 0 | 0 | 111.1 | H93 E303 V304 Y311 | H93-D307 IonicContact CD2-OD2 3.68Å; H93-D307 IonicContact CE1-OD2 3.49Å; H93-D307 IonicContact NE2-OD2 3.94Å; H93-D307 PolarHBondContact NE2-OD2 3.11Å; E303-D307 PolarHBondContact O-N 3.18Å; V304-D307 PolarHBondContact O-N 2.9Å; D307-Y311 WeakPolarHBondContact O-CD2 3.43Å |
| 308 | V | 85.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | C27 W28 V51 W82 V304 A305 K306 K310 Y311 E312 | C27-V308 HydrophobicContact CB-CG2 4Å; W28-V308 HydrophobicContact CB-CG1 4.12Å; V51-V308 HydrophobicContact CG1-CG2 3.94Å; W82-V308 HydrophobicContact CH2-CB 4.3Å; W82-V308 HydrophobicContact CH2-CG1 4.03Å; W82-V308 HydrophobicContact CH2-CG2 4.28Å; W82-V308 HydrophobicContact CZ2-CG1 3.95Å; V304-V308 HydrophobicContact CG1-CG2 4.42Å; V304-V308 WeakPolarHBondContact O-CG2 3.37Å; V304-V308 PolarHBondContact O-N 2.8Å; A305-V308 WeakPolarHBondContact O-CB 3.49Å; A305-V308 PolarHBondContact O-N 3.02Å; K306-V308 VanDerWaalsContact C-N 3.27Å; V308-K310 VanDerWaalsContact C-N 3.31Å; V308-K310 PolarHBondContact O-N 2.65Å; V308-Y311 PolarHBondContact O-N 3.08Å; V308-Y311 VanDerWaalsContact O-N 3.08Å; V308-E312 HydrophobicContact CG1-CG 4.28Å; V308-E312 PolarHBondContact O-N 3.35Å |
| 309 | E | 86.8 | Confident | 87.4 | Confident | 123 Ų | 123 | 75.1 Ų | 75.1 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -52.8 | -45.2 | 178.7 | -175.9 | 173 | -136.2 | 0 | 0 | 112.3 | A305 Y311 E312 E313 | A305-E309 PolarHBondContact O-N 2.83Å; E309-Y311 VanDerWaalsContact C-N 3.29Å; E309-Y311 PolarHBondContact O-N 3.09Å; E309-E312 WeakPolarHBondContact O-CB 3.47Å; E309-E312 PolarHBondContact O-N 3.02Å; E309-E313 PolarHBondContact O-N 2.98Å |
| 310 | K | 88 | Confident | 87 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 48% | 0.478 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.5 | -33.8 | 177.4 | 175.3 | -168.2 | 166.5 | -157.8 | 0 | 114.2 | K306 V308 Q314 | K306-K310 PolarHBondContact O-N 2.9Å; V308-K310 VanDerWaalsContact C-N 3.31Å; V308-K310 PolarHBondContact O-N 2.65Å; K310-Q314 PolarHBondContact O-NE2 3.16Å |
| 311 | Y | 84.7 | Confident | 87.1 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -82.9 | -35.7 | 174.1 | -70.3 | -77.7 | 0 | 0 | 0 | 111.1 | W82 F86 P90 D307 V308 E309 E313 Q314 L315 | W82-Y311 HydrophobicContact CE3-CG 4.43Å; W82-Y311 AromaticContact CH2-CD2 3.93Å; W82-Y311 HydrophobicContact CH2-CD2 3.93Å; W82-Y311 AromaticContact CH2-CG 3.95Å; W82-Y311 HydrophobicContact CH2-CG 3.95Å; W82-Y311 AromaticContact CZ3-CD2 3.65Å; W82-Y311 HydrophobicContact CZ3-CD2 3.65Å; W82-Y311 AromaticContact CZ3-CG 3.68Å; W82-Y311 HydrophobicContact CZ3-CG 3.68Å; F86-Y311 HydrophobicContact CD1-CD1 4.06Å; F86-Y311 HydrophobicContact CD1-CE1 4.46Å; F86-Y311 AromaticContact CD2-CD1 3.82Å; F86-Y311 HydrophobicContact CD2-CD1 3.82Å; F86-Y311 HydrophobicContact CD2-CG 4.49Å; F86-Y311 HydrophobicContact CE1-CD1 4.05Å; F86-Y311 AromaticContact CE2-CD1 3.8Å; F86-Y311 HydrophobicContact CE2-CD1 3.8Å; F86-Y311 HydrophobicContact CE2-CG 4.26Å; F86-Y311 AromaticContact CG-CD1 3.96Å; F86-Y311 HydrophobicContact CG-CD1 3.96Å; F86-Y311 HydrophobicContact CG-CE1 4.35Å; F86-Y311 AromaticContact CZ-CD1 3.94Å; F86-Y311 HydrophobicContact CZ-CD1 3.94Å; P90-Y311 HydrophobicContact CB-CD1 4.28Å; P90-Y311 HydrophobicContact CB-CD2 4.16Å; P90-Y311 HydrophobicContact CB-CE1 3.95Å; P90-Y311 HydrophobicContact CB-CE2 3.85Å; P90-Y311 HydrophobicContact CB-CG 4.4Å; P90-Y311 HydrophobicContact CG-CE1 4.28Å; D307-Y311 WeakPolarHBondContact O-CD2 3.43Å; V308-Y311 PolarHBondContact O-N 3.08Å; V308-Y311 VanDerWaalsContact O-N 3.08Å; E309-Y311 VanDerWaalsContact C-N 3.29Å; E309-Y311 PolarHBondContact O-N 3.09Å; Y311-E313 VanDerWaalsContact C-N 3.33Å; Y311-E313 PolarHBondContact O-N 3Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.33Å; Y311-Q314 VanDerWaalsContact O-N 3.12Å; Y311-L315 PolarHBondContact O-N 3.42Å |
| 312 | E | 81 | Confident | 87.1 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.5 | -79.2 | -149 | -130.6 | 0 | 0 | 114.2 | W28 W82 V308 E309 Q314 L315 E316 K319 | W28-E312 VanDerWaalsContact CB-OE1 3.28Å; W28-E312 WeakPolarHBondContact CB-OE1 3.49Å; W28-E312 VanDerWaalsContact CE3-CD 3.46Å; W28-E312 HydrophobicContact CE3-CG 4.34Å; W28-E312 VanDerWaalsContact CE3-OE2 3.25Å; W82-E312 HydrophobicContact CZ2-CG 4.14Å; V308-E312 HydrophobicContact CG1-CG 4.28Å; V308-E312 PolarHBondContact O-N 3.35Å; E309-E312 WeakPolarHBondContact O-CB 3.47Å; E309-E312 PolarHBondContact O-N 3.02Å; E312-Q314 PolarHBondContact O-N 3.16Å; E312-L315 PolarHBondContact O-N 2.94Å; E312-L315 VanDerWaalsContact O-N 3.13Å; E312-E316 PolarHBondContact O-N 3.1Å; E312-K319 PolarHBondContact O-NZ 3.29Å; E312-K319 IonicContact OE2-NZ 2.66Å; E312-K319 PolarHBondContact OE2-NZ 2.03Å |
| 313 | E | 85.1 | Confident | 87.1 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -57.1 | -36.1 | 173 | -73.1 | -173.6 | 142.1 | 0 | 0 | 112.2 | E309 Y311 E316 | E309-E313 PolarHBondContact O-N 2.98Å; Y311-E313 VanDerWaalsContact C-N 3.33Å; Y311-E313 PolarHBondContact O-N 3Å; E313-E316 VanDerWaalsContact O-CB 3.24Å; E313-E316 WeakPolarHBondContact O-CB 3.24Å |
| 314 | Q | 85.2 | Confident | 87.3 | Confident | 110 Ų | 110 | 65.7 Ų | 65.7 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -80.5 | -16.5 | -179.7 | -67.7 | 166.8 | 83.9 | 0 | 0 | 112.7 | F86 K310 Y311 E312 | F86-Q314 HydrophobicContact CE1-CB 4.03Å; F86-Q314 HydrophobicContact CZ-CB 3.83Å; K310-Q314 PolarHBondContact O-NE2 3.16Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 3.33Å; Y311-Q314 VanDerWaalsContact O-N 3.12Å; E312-Q314 PolarHBondContact O-N 3.16Å |
| 315 | L | 83.2 | Confident | 87.6 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -91.6 | 0.3 | 174.5 | -59 | -172.8 | 0 | 0 | 0 | 113.1 | L81 W82 V85 F86 Y311 E312 E317 F318 K319 | L81-L315 HydrophobicContact CB-CD1 4.47Å; L81-L315 HydrophobicContact CD2-CB 4.06Å; L81-L315 HydrophobicContact CD2-CD1 4.06Å; L81-L315 HydrophobicContact CD2-CD2 3.92Å; L81-L315 HydrophobicContact CD2-CG 4.22Å; L81-L315 HydrophobicContact CG-CD1 4.2Å; L81-L315 HydrophobicContact CG-CD2 3.88Å; W82-L315 HydrophobicContact CG-CD1 4.27Å; V85-L315 HydrophobicContact CB-CD2 3.93Å; V85-L315 HydrophobicContact CG1-CD2 4.05Å; V85-L315 HydrophobicContact CG2-CD2 3.83Å; F86-L315 HydrophobicContact CE2-CD1 4.04Å; F86-L315 HydrophobicContact CE2-CD2 3.62Å; F86-L315 HydrophobicContact CE2-CG 3.82Å; F86-L315 HydrophobicContact CZ-CD2 3.6Å; F86-L315 HydrophobicContact CZ-CG 3.94Å; Y311-L315 PolarHBondContact O-N 3.42Å; E312-L315 PolarHBondContact O-N 2.94Å; E312-L315 VanDerWaalsContact O-N 3.13Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.68Å; L315-F318 HydrophobicContact CD2-CD2 4.46Å; L315-F318 PolarHBondContact O-N 3.48Å; L315-F318 VanDerWaalsContact O-N 3.14Å; L315-K319 PolarHBondContact O-N 2.82Å |
| 316 | E | 83.4 | Confident | 87.8 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -24.9 | -170 | -169.3 | 60.2 | -162.4 | 0 | 0 | 114.2 | E312 E313 K319 K320 | E312-E316 PolarHBondContact O-N 3.1Å; E313-E316 VanDerWaalsContact O-CB 3.24Å; E313-E316 WeakPolarHBondContact O-CB 3.24Å; E316-K319 WeakPolarHBondContact OE2-CD 3.48Å; E316-K319 IonicContact OE2-NZ 3.59Å; E316-K319 PolarHBondContact OE2-NZ 3.22Å; E316-K320 HydrophobicContact CG-CD 4.16Å; E316-K320 VanDerWaalsContact CG-NZ 3.34Å; E316-K320 WeakPolarHBondContact O-CB 3.35Å; E316-K320 WeakPolarHBondContact O-CG 3.24Å; E316-K320 PolarHBondContact O-N 3.38Å; E316-K320 WeakPolarHBondContact OE1-CE 3.34Å; E316-K320 IonicContact OE1-NZ 2.66Å; E316-K320 PolarHBondContact OE1-NZ 2.93Å |
| 317 | E | 84.5 | Confident | 88 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 171 | -176.7 | 171.6 | 174.6 | 0 | 0 | 111.5 | L315 K319 K320 V321 | L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.68Å; E317-K319 VanDerWaalsContact C-N 3.28Å; E317-K319 PolarHBondContact O-N 2.83Å; E317-K320 PolarHBondContact O-N 2.76Å; E317-V321 HydrophobicContact CG-CG2 3.86Å; E317-V321 WeakPolarHBondContact O-CG2 3.38Å; E317-V321 PolarHBondContact O-N 3.15Å |
| 318 | F | 82.8 | Confident | 88.1 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | -179.1 | -59.9 | -98.1 | 0 | 0 | 0 | 112.3 | L81 V85 L315 L395 Q396 Y399 | L81-F318 HydrophobicContact CD1-CD1 3.61Å; L81-F318 HydrophobicContact CD1-CD2 4.43Å; L81-F318 HydrophobicContact CD1-CE1 3.8Å; L81-F318 HydrophobicContact CD1-CG 3.95Å; L81-F318 HydrophobicContact CD1-CZ 4.3Å; L81-F318 HydrophobicContact CD2-CB 3.47Å; L81-F318 VanDerWaalsContact CD2-CB 3.47Å; L81-F318 HydrophobicContact CD2-CD1 4.12Å; L81-F318 HydrophobicContact CD2-CD2 4.01Å; L81-F318 HydrophobicContact CD2-CG 3.62Å; L81-F318 HydrophobicContact CG-CD1 4.49Å; L81-F318 HydrophobicContact CG-CG 4.37Å; V85-F318 HydrophobicContact CG2-CE1 4.39Å; V85-F318 HydrophobicContact CG2-CE2 3.94Å; V85-F318 HydrophobicContact CG2-CZ 3.73Å; L315-F318 HydrophobicContact CD2-CD2 4.46Å; L315-F318 PolarHBondContact O-N 3.48Å; L315-F318 VanDerWaalsContact O-N 3.14Å; F318-L395 HydrophobicContact CD1-CD2 3.69Å; F318-L395 HydrophobicContact CD1-CG 3.89Å; F318-L395 HydrophobicContact CE1-CD2 4.16Å; F318-L395 HydrophobicContact CG-CD2 4.33Å; F318-L395 PolarHBondContact O-N 3.3Å; F318-Q396 HydrophobicContact CB-CB 4.33Å; F318-Q396 PolarHBondContact O-N 3.04Å; F318-Y399 AromaticContact CD1-CD2 3.8Å; F318-Y399 HydrophobicContact CD1-CD2 3.8Å; F318-Y399 AromaticContact CD1-CE2 3.85Å; F318-Y399 HydrophobicContact CD1-CE2 3.85Å; F318-Y399 HydrophobicContact CE1-CD2 4.02Å; F318-Y399 AromaticContact CE1-CE2 3.71Å; F318-Y399 HydrophobicContact CE1-CE2 3.71Å |
| 319 | K | 79.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 173.6 | -65.9 | 169 | -173.5 | 173.6 | 0 | 112.6 | E312 L315 E316 E317 | E312-K319 PolarHBondContact O-NZ 3.29Å; E312-K319 IonicContact OE2-NZ 2.66Å; E312-K319 PolarHBondContact OE2-NZ 2.03Å; L315-K319 PolarHBondContact O-N 2.82Å; E316-K319 WeakPolarHBondContact OE2-CD 3.48Å; E316-K319 IonicContact OE2-NZ 3.59Å; E316-K319 PolarHBondContact OE2-NZ 3.22Å; E317-K319 VanDerWaalsContact C-N 3.28Å; E317-K319 PolarHBondContact O-N 2.83Å |
| 320 | K | 85.4 | Confident | 88.3 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -91.6 | -33.3 | -172.1 | -80.1 | 172.8 | 166.9 | 138 | 0 | 114.7 | E316 E317 T322 | E316-K320 HydrophobicContact CG-CD 4.16Å; E316-K320 VanDerWaalsContact CG-NZ 3.34Å; E316-K320 WeakPolarHBondContact O-CB 3.35Å; E316-K320 WeakPolarHBondContact O-CG 3.24Å; E316-K320 PolarHBondContact O-N 3.38Å; E316-K320 WeakPolarHBondContact OE1-CE 3.34Å; E316-K320 IonicContact OE1-NZ 2.66Å; E316-K320 PolarHBondContact OE1-NZ 2.93Å; E317-K320 PolarHBondContact O-N 2.76Å; K320-T322 PolarHBondContact O-N 3.43Å |
| 321 | V | 92.6 | Very high | 88.1 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | trans | -68.6 | 106.1 | -178.9 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | E317 I323 T394 L395 | E317-V321 HydrophobicContact CG-CG2 3.86Å; E317-V321 WeakPolarHBondContact O-CG2 3.38Å; E317-V321 PolarHBondContact O-N 3.15Å; V321-I323 HydrophobicContact CG1-CG2 4.25Å; V321-T394 CarbonylContact O-C 3.54Å; V321-T394 VanDerWaalsContact O-CA 3.26Å; V321-T394 WeakPolarHBondContact O-CA 3.26Å; V321-L395 HydrophobicContact CB-CB 4.02Å; V321-L395 HydrophobicContact CB-CD2 4.44Å; V321-L395 HydrophobicContact CG1-CB 4.11Å; V321-L395 HydrophobicContact CG1-CD2 4.46Å; V321-L395 PolarHBondContact O-N 3.32Å | ||
| 322 | T | 94.8 | Very high | 88.1 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.4 | 170.7 | -64.5 | 0 | 0 | 0 | 0 | 109 | K320 G324 N392 L393 | K320-T322 PolarHBondContact O-N 3.43Å; T322-G324 VanDerWaalsContact CG2-O 3.31Å; T322-G324 WeakPolarHBondContact CG2-O 3.43Å; T322-N392 HydrophobicContact CG2-CB 4.05Å; T322-N392 PolarHBondContact OG1-ND2 2.95Å; T322-L393 CarbonylContact C-O 3.52Å; T322-L393 WeakPolarHBondContact CA-O 3.09Å |
| 323 | I | 95 | Very high | 88 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -16.8 | 177.7 | 61.5 | 172.8 | 0 | 0 | 0 | 112.5 | V321 L393 T394 L395 A398 I518 F521 Q522 | V321-I323 HydrophobicContact CG1-CG2 4.25Å; I323-L393 HydrophobicContact CG1-CB 4.09Å; I323-L393 WeakPolarHBondContact CG1-O 3.39Å; I323-L393 PolarHBondContact N-O 3.06Å; I323-T394 VanDerWaalsContact CD1-O 3.28Å; I323-T394 WeakPolarHBondContact CD1-O 3.11Å; I323-L395 HydrophobicContact CG2-CB 4.07Å; I323-L395 HydrophobicContact CG2-CD1 4.13Å; I323-A398 HydrophobicContact CD1-CB 3.61Å; I323-I518 HydrophobicContact CB-CG2 4.48Å; I323-I518 HydrophobicContact CD1-CG1 4.29Å; I323-I518 HydrophobicContact CG2-CG2 4.11Å; I323-F521 HydrophobicContact CD1-CB 4.14Å; I323-F521 HydrophobicContact CD1-CD2 3.83Å; I323-F521 HydrophobicContact CD1-CG 4.44Å; I323-F521 HydrophobicContact CG1-CB 4.33Å; I323-F521 CarbonylContact O-C 3.59Å; I323-Q522 HydrophobicContact CB-CG 4.25Å; I323-Q522 VanDerWaalsContact O-CA 3.26Å; I323-Q522 WeakPolarHBondContact O-CA 3.28Å; I323-Q522 WeakPolarHBondContact O-CG 3.39Å; I323-Q522 PolarHBondContact O-N 2.96Å |
| 324 | G | 96.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -157.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T322 N392 L393 | T322-G324 VanDerWaalsContact CG2-O 3.31Å; T322-G324 WeakPolarHBondContact CG2-O 3.43Å; G324-N392 WeakPolarHBondContact O-CA 3.22Å; G324-L393 PolarHBondContact N-O 2.86Å; G324-L393 PolarHBondContact O-N 3.43Å |
| 325 | S | 96.3 | Very high | 87.1 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 164.9 | 175.1 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | G391 S525 P526 V527 | S325-G391 CarbonylContact C-O 3.51Å; S325-G391 VanDerWaalsContact CA-O 3.3Å; S325-G391 WeakPolarHBondContact CA-O 3.39Å; S325-S525 PolarHBondContact N-OG 3.32Å; S325-S525 VanDerWaalsContact N-OG 3.09Å; S325-S525 PolarHBondContact OG-OG 3.19Å; S325-P526 CarbonylContact O-C 3.59Å; S325-P526 WeakPolarHBondContact O-CA 3.25Å; S325-P526 WeakPolarHBondContact OG-CA 3.29Å; S325-P526 WeakPolarHBondContact OG-CB 3.5Å; S325-V527 WeakPolarHBondContact O-CG2 3.02Å; S325-V527 PolarHBondContact O-N 3.12Å |
| 326 | T | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.1 | 172.6 | -175 | 0 | 0 | 0 | 0 | 111.3 | V328 L330 K387 P390 G391 L393 V527 | T326-V328 VanDerWaalsContact CG2-O 3.26Å; T326-V328 WeakPolarHBondContact CG2-O 3.07Å; T326-V328 WeakPolarHBondContact OG1-CG2 3.49Å; T326-V328 PolarHBondContact OG1-N 3.36Å; T326-V328 VanDerWaalsContact OG1-N 3.17Å; T326-V328 PolarHBondContact OG1-O 2.92Å; T326-L330 HydrophobicContact CG2-CD1 4.38Å; T326-L330 HydrophobicContact CG2-CG 4.38Å; T326-K387 HydrophobicContact CG2-CD 3.73Å; T326-P390 CarbonylContact O-C 3.46Å; T326-P390 VanDerWaalsContact O-CA 3.28Å; T326-P390 WeakPolarHBondContact O-CA 3.41Å; T326-P390 WeakPolarHBondContact O-CB 2.95Å; T326-G391 PolarHBondContact N-O 2.82Å; T326-G391 PolarHBondContact O-N 3.46Å; T326-L393 HydrophobicContact CG2-CD2 4.29Å; T326-V527 PolarHBondContact OG1-O 3.02Å |
| 327 | Y | 94.5 | Very high | 87.3 | Confident | 161 Ų | 161 | 40 Ų | 40 | 63% | 0.631 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -103.6 | -4 | 169.6 | -74.3 | -12.9 | 0 | 0 | 0 | 112.9 | P526 V527 I528 | Y327-P526 HydrophobicContact CD1-CB 3.79Å; Y327-P526 HydrophobicContact CD1-CG 4.32Å; Y327-P526 HydrophobicContact CD2-CB 3.84Å; Y327-P526 HydrophobicContact CD2-CG 4.23Å; Y327-P526 HydrophobicContact CE1-CB 3.85Å; Y327-P526 HydrophobicContact CE1-CG 3.86Å; Y327-P526 HydrophobicContact CE2-CB 3.91Å; Y327-P526 HydrophobicContact CE2-CG 3.76Å; Y327-P526 HydrophobicContact CG-CB 3.79Å; Y327-P526 HydrophobicContact CG-CG 4.5Å; Y327-V527 PolarHBondContact N-O 3.29Å; Y327-I528 HydrophobicContact CD2-CG2 4.42Å |
| 328 | V | 90.6 | Very high | 87.5 | Confident | 43 Ų | 43 | 35.1 Ų | 35.1 | 26% | 0.261 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -117.4 | 160.3 | 175 | -66.5 | 0 | 0 | 0 | 0 | 109.7 | T326 L330 M529 | T326-V328 VanDerWaalsContact CG2-O 3.26Å; T326-V328 WeakPolarHBondContact CG2-O 3.07Å; T326-V328 WeakPolarHBondContact OG1-CG2 3.49Å; T326-V328 PolarHBondContact OG1-N 3.36Å; T326-V328 VanDerWaalsContact OG1-N 3.17Å; T326-V328 PolarHBondContact OG1-O 2.92Å; V328-L330 HydrophobicContact CG2-CD2 4.37Å; V328-M529 WeakPolarHBondContact CG2-O 3.39Å |
| 329 | S | 87.6 | Confident | 87.7 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 43% | 0.434 | 17% | 0.173 | S | C | . | . | trans | -61.4 | 148.2 | 163.8 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | N343 K387 E388 | S329-N343 PolarHBondContact O-ND2 2.89Å; S329-K387 CarbonylContact C-O 3.57Å; S329-K387 WeakPolarHBondContact CA-O 3.2Å; S329-K387 WeakPolarHBondContact CB-O 3.49Å; S329-E388 WeakPolarHBondContact CB-O 3.41Å | ||
| 330 | L | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.2 | 168.6 | -65.9 | 178.8 | 0 | 0 | 0 | 108.4 | T326 V328 F385 S386 K387 L393 F521 V527 | T326-L330 HydrophobicContact CG2-CD1 4.38Å; T326-L330 HydrophobicContact CG2-CG 4.38Å; V328-L330 HydrophobicContact CG2-CD2 4.37Å; L330-F385 HydrophobicContact CB-CE1 4.32Å; L330-S386 CarbonylContact O-C 3.57Å; L330-S386 VanDerWaalsContact O-CA 3.3Å; L330-S386 WeakPolarHBondContact O-CA 3.5Å; L330-K387 PolarHBondContact N-O 3.02Å; L330-K387 PolarHBondContact O-N 2.84Å; L330-L393 HydrophobicContact CD1-CD1 4.03Å; L330-L393 HydrophobicContact CD1-CD2 3.93Å; L330-F521 HydrophobicContact CD1-CE1 4.26Å; L330-V527 HydrophobicContact CD2-CG1 4.1Å |
| 331 | D | 84.2 | Confident | 88.5 | Confident | 18 Ų | 18 | 25.4 Ų | 25.4 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 106.4 | -178.6 | -176.4 | 0.6 | 0 | 0 | 0 | 109.5 | T333 S336 C342 N343 L344 Y560 | D331-T333 VanDerWaalsContact OD1-CB 3.32Å; D331-T333 WeakPolarHBondContact OD1-CB 3.47Å; D331-T333 WeakPolarHBondContact OD1-CG2 3.35Å; D331-T333 PolarHBondContact OD1-N 3.11Å; D331-T333 PolarHBondContact OD1-OG1 3.26Å; D331-S336 VanDerWaalsContact CG-CB 3.5Å; D331-S336 WeakPolarHBondContact OD2-CB 3.07Å; D331-S336 PolarHBondContact OD2-OG 2.72Å; D331-C342 WeakPolarHBondContact O-CB 3.42Å; D331-N343 PolarHBondContact N-OD1 3.11Å; D331-L344 WeakPolarHBondContact O-CB 3.29Å; D331-Y560 PolarHBondContact OD2-OH 2.72Å |
| 332 | G | 83.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -97.4 | 1.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C337 R383 F385 | G332-C337 VanDerWaalsContact C-SG 3.51Å; G332-C337 PolarHBondContact O-SG 2.82Å; G332-C337 VanDerWaalsContact O-SG 3.38Å; G332-R383 CarbonylContact C-O 3.59Å; G332-R383 VanDerWaalsContact O-O 3.12Å; G332-F385 WeakPolarHBondContact CA-O 3.24Å; G332-F385 PolarHBondContact N-O 2.87Å | ||
| 333 | T | 79.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 20 Ų | 20 | 11% | 0.11 | 10% | 0.103 | C | C | . | . | trans | -62.3 | 149.6 | -168.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | D331 L335 S336 C337 D384 | D331-T333 VanDerWaalsContact OD1-CB 3.32Å; D331-T333 WeakPolarHBondContact OD1-CB 3.47Å; D331-T333 WeakPolarHBondContact OD1-CG2 3.35Å; D331-T333 PolarHBondContact OD1-N 3.11Å; D331-T333 PolarHBondContact OD1-OG1 3.26Å; T333-L335 PolarHBondContact O-N 3.13Å; T333-S336 PolarHBondContact O-N 2.9Å; T333-C337 PolarHBondContact O-N 2.79Å; T333-D384 VanDerWaalsContact CA-OD1 3.27Å; T333-D384 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 334 | S | 76.4 | Confident | 88.3 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -19.8 | 171.9 | 47 | 0 | 0 | 0 | 0 | 114 | R338 D384 | S334-R338 WeakPolarHBondContact O-CA 2.98Å; S334-R338 VanDerWaalsContact O-CB 3.28Å; S334-R338 WeakPolarHBondContact O-CB 3.19Å; S334-R338 PolarHBondContact O-N 2.98Å; S334-R338 VanDerWaalsContact O-N 3.13Å; S334-D384 PolarHBondContact N-OD1 3.14Å; S334-D384 PolarHBondContact OG-OD1 3.11Å |
| 335 | L | 75 | Confident | 88.3 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -28.4 | 179.8 | -47.9 | 174.1 | 0 | 0 | 0 | 114.7 | E13 W14 T333 I339 | E13-L335 HydrophobicContact CB-CD1 3.69Å; E13-L335 HydrophobicContact CB-CD2 3.87Å; E13-L335 HydrophobicContact CB-CG 4.22Å; E13-L335 HydrophobicContact CG-CD1 3.36Å; E13-L335 HydrophobicContact CG-CD2 3.83Å; E13-L335 HydrophobicContact CG-CG 4.14Å; E13-L335 WeakPolarHBondContact OE2-CD2 3.38Å; W14-L335 HydrophobicContact CB-CD1 3.76Å; W14-L335 HydrophobicContact CG-CD1 4.43Å; T333-L335 PolarHBondContact O-N 3.13Å; L335-I339 WeakPolarHBondContact O-CD1 3.25Å; L335-I339 WeakPolarHBondContact O-CG1 3.39Å |
| 336 | S | 81.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -45 | 172.7 | -89.8 | 0 | 0 | 0 | 0 | 110 | D331 T333 G340 E341 K564 | D331-S336 VanDerWaalsContact CG-CB 3.5Å; D331-S336 WeakPolarHBondContact OD2-CB 3.07Å; D331-S336 PolarHBondContact OD2-OG 2.72Å; T333-S336 PolarHBondContact O-N 2.9Å; S336-G340 CarbonylContact O-C 3.49Å; S336-G340 PolarHBondContact O-N 3.26Å; S336-E341 CarbonylContact O-C 3.49Å; S336-K564 PolarHBondContact OG-NZ 2.68Å |
| 337 | C | 89 | Confident | 88.4 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -83 | -56.2 | -174.5 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | G332 T333 I339 G340 C342 S379 L382 F438 Q440 | G332-C337 VanDerWaalsContact C-SG 3.51Å; G332-C337 PolarHBondContact O-SG 2.82Å; G332-C337 VanDerWaalsContact O-SG 3.38Å; T333-C337 PolarHBondContact O-N 2.79Å; C337-I339 PolarHBondContact O-N 3.49Å; C337-I339 VanDerWaalsContact O-N 3.12Å; C337-G340 PolarHBondContact O-N 3.35Å; C337-C342 WeakPolarHBondContact CA-SG 3.15Å; C337-C342 HydrophobicContact CB-CB 3.91Å; C337-C342 WeakPolarHBondContact CB-SG 3.31Å; C337-C342 WeakPolarHBondContact SG-CB 3.45Å; C337-C342 CovalentContact SG-SG 2.03Å; C337-C342 PolarHBondContact SG-SG 2.82Å; C337-S379 PolarHBondContact O-OG 3.1Å; C337-S379 VanDerWaalsContact O-OG 3.09Å; C337-L382 HydrophobicContact CB-CD1 4.31Å; C337-F438 WeakPolarHBondContact O-CD1 3.34Å; C337-Q440 PolarHBondContact O-NE2 3.45Å |
| 338 | R | 88.9 | Confident | 88.5 | Confident | 37 Ų | 37 | 10.6 Ų | 10.6 | 14% | 0.14 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5 | -170.4 | -56.5 | -174.6 | -175.8 | -167.9 | -1.1 | 115 | S334 R434 F438 | S334-R338 WeakPolarHBondContact O-CA 2.98Å; S334-R338 VanDerWaalsContact O-CB 3.28Å; S334-R338 WeakPolarHBondContact O-CB 3.19Å; S334-R338 PolarHBondContact O-N 2.98Å; S334-R338 VanDerWaalsContact O-N 3.13Å; R338-R434 HydrophobicContact CB-CB 4.3Å; R338-R434 WeakPolarHBondContact CD-O 3.44Å; R338-R434 PolarHBondContact NH1-O 3.24Å; R338-F438 WeakPolarHBondContact O-CB 3.39Å; R338-F438 WeakPolarHBondContact O-CG 3.37Å |
| 339 | I | 87.6 | Confident | 88.8 | Confident | 10 Ų | 10 | 8.6 Ų | 8.6 | 5% | 0.051 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 11.6 | 176.9 | 61.1 | 163.5 | 0 | 0 | 0 | 113.9 | L335 C337 F429 Y431 R434 F537 | L335-I339 WeakPolarHBondContact O-CD1 3.25Å; L335-I339 WeakPolarHBondContact O-CG1 3.39Å; C337-I339 PolarHBondContact O-N 3.49Å; C337-I339 VanDerWaalsContact O-N 3.12Å; I339-F429 HydrophobicContact CB-CE2 4.28Å; I339-F429 HydrophobicContact CB-CZ 3.99Å; I339-F429 HydrophobicContact CG2-CE2 4.39Å; I339-F429 HydrophobicContact CG2-CZ 4.25Å; I339-Y431 HydrophobicContact CB-CD1 4.19Å; I339-Y431 HydrophobicContact CB-CE1 4.45Å; I339-Y431 HydrophobicContact CD1-CD1 3.73Å; I339-Y431 HydrophobicContact CD1-CE1 4.29Å; I339-Y431 HydrophobicContact CG2-CD1 4.4Å; I339-R434 HydrophobicContact CG2-CG 4.21Å; I339-F537 VanDerWaalsContact O-CE2 3.32Å; I339-F537 WeakPolarHBondContact O-CE2 3.45Å; I339-F537 WeakPolarHBondContact O-CZ 3.36Å |
| 340 | G | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 172.1 | -160.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S336 C337 F438 Q440 | S336-G340 CarbonylContact O-C 3.49Å; S336-G340 PolarHBondContact O-N 3.26Å; C337-G340 PolarHBondContact O-N 3.35Å; G340-F438 VanDerWaalsContact O-CE1 3.25Å; G340-F438 WeakPolarHBondContact O-CE1 3.49Å; G340-Q440 PolarHBondContact O-NE2 2.92Å |
| 341 | E | 91.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 7.2 Ų | 7.2 | 3% | 0.028 | 4% | 0.037 | C | C | . | . | trans | -80.7 | 130.4 | 176.2 | -159.2 | 176.7 | 142.4 | 0 | 0 | 111.2 | S336 N346 I531 Q532 N533 R534 I535 K564 | S336-E341 CarbonylContact O-C 3.49Å; E341-N346 PolarHBondContact OE1-ND2 3.4Å; E341-I531 HydrophobicContact CB-CD1 4.26Å; E341-I531 HydrophobicContact CB-CG2 4.3Å; E341-I531 HydrophobicContact CG-CD1 4.16Å; E341-I531 HydrophobicContact CG-CG2 4.29Å; E341-I531 VanDerWaalsContact O-CD1 3.31Å; E341-I531 WeakPolarHBondContact O-CD1 3.43Å; E341-Q532 PolarHBondContact OE1-N 3.28Å; E341-N533 PolarHBondContact OE1-N 2.92Å; E341-N533 VanDerWaalsContact OE2-C 3.31Å; E341-N533 WeakPolarHBondContact OE2-CA 3.37Å; E341-N533 PolarHBondContact OE2-N 3.33Å; E341-N533 VanDerWaalsContact OE2-N 3.11Å; E341-R534 WeakPolarHBondContact OE2-CA 3.38Å; E341-R534 PolarHBondContact OE2-N 3.3Å; E341-I535 HydrophobicContact CB-CB 4.1Å; E341-I535 HydrophobicContact CB-CD1 4.5Å; E341-I535 PolarHBondContact OE2-N 3Å; E341-K564 PolarHBondContact O-NZ 3.33Å | ||
| 342 | C | 91.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.007 | 3% | 0.033 | C | C | . | . | trans | -122 | 146.3 | 170.4 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | D331 C337 G345 N346 Q440 | D331-C342 WeakPolarHBondContact O-CB 3.42Å; C337-C342 WeakPolarHBondContact CA-SG 3.15Å; C337-C342 HydrophobicContact CB-CB 3.91Å; C337-C342 WeakPolarHBondContact CB-SG 3.31Å; C337-C342 WeakPolarHBondContact SG-CB 3.45Å; C337-C342 CovalentContact SG-SG 2.03Å; C337-C342 PolarHBondContact SG-SG 2.82Å; C342-G345 WeakPolarHBondContact O-CA 3.48Å; C342-G345 PolarHBondContact O-N 3.04Å; C342-G345 VanDerWaalsContact O-N 3.13Å; C342-G345 VanDerWaalsContact SG-CA 3.54Å; C342-G345 PolarHBondContact SG-N 2.87Å; C342-N346 PolarHBondContact O-N 2.73Å; C342-Q440 VanDerWaalsContact N-OE1 3.14Å; C342-Q440 VanDerWaalsContact SG-CD 3.55Å; C342-Q440 PolarHBondContact SG-OE1 2.96Å | ||
| 343 | N | 93.6 | Very high | 91 | Very high | 13 Ų | 13 | 7.3 Ų | 7.3 | 7% | 0.07 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -77.3 | -26.2 | -174 | 72.7 | -34.3 | 0 | 0 | 0 | 112.7 | S329 D331 G345 N346 A347 M529 I531 | S329-N343 PolarHBondContact O-ND2 2.89Å; D331-N343 PolarHBondContact N-OD1 3.11Å; N343-G345 VanDerWaalsContact C-N 3.31Å; N343-N346 PolarHBondContact O-N 3.19Å; N343-A347 PolarHBondContact O-N 3.19Å; N343-M529 HydrophobicContact CB-CG 4.36Å; N343-M529 WeakPolarHBondContact CB-O 3.42Å; N343-M529 PolarHBondContact ND2-O 3.29Å; N343-M529 WeakPolarHBondContact O-CG 3.42Å; N343-I531 HydrophobicContact CB-CD1 4.18Å |
| 344 | L | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 164.5 | -177.3 | 60.9 | 0 | 0 | 0 | 110.4 | D331 N346 A347 I348 L382 M401 F521 | D331-L344 WeakPolarHBondContact O-CB 3.29Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 3.28Å; L344-A347 WeakPolarHBondContact O-CB 3.41Å; L344-A347 PolarHBondContact O-N 3.37Å; L344-A347 VanDerWaalsContact O-N 3.09Å; L344-I348 HydrophobicContact CD1-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CG1 3.99Å; L344-I348 HydrophobicContact CG-CG1 4.27Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.36Å; L344-L382 HydrophobicContact CD2-CD2 4.32Å; L344-L382 HydrophobicContact CG-CD2 4.23Å; L344-M401 HydrophobicContact CD1-CG 4.4Å; L344-M401 HydrophobicContact CD1-SD 3.42Å; L344-M401 WeakPolarHBondContact CD1-SD 3.31Å; L344-M401 HydrophobicContact CD2-CB 4.16Å; L344-M401 HydrophobicContact CD2-CG 3.82Å; L344-M401 HydrophobicContact CD2-SD 3.88Å; L344-M401 HydrophobicContact CG-SD 4.32Å; L344-F521 HydrophobicContact CD1-CZ 3.81Å |
| 345 | G | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.4 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C342 N343 S349 | C342-G345 WeakPolarHBondContact O-CA 3.48Å; C342-G345 PolarHBondContact O-N 3.04Å; C342-G345 VanDerWaalsContact O-N 3.13Å; C342-G345 VanDerWaalsContact SG-CA 3.54Å; C342-G345 PolarHBondContact SG-N 2.87Å; N343-G345 VanDerWaalsContact C-N 3.31Å; G345-S349 VanDerWaalsContact O-CB 3.27Å; G345-S349 WeakPolarHBondContact O-CB 3.42Å; G345-S349 PolarHBondContact O-N 2.99Å; G345-S349 PolarHBondContact O-OG 3.27Å |
| 346 | N | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.1 | -71.7 | -12.7 | 0 | 0 | 0 | 112 | E341 C342 N343 L344 D350 M529 G530 R534 | E341-N346 PolarHBondContact OE1-ND2 3.4Å; C342-N346 PolarHBondContact O-N 2.73Å; N343-N346 PolarHBondContact O-N 3.19Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 3.28Å; N346-D350 VanDerWaalsContact O-CB 3.29Å; N346-D350 WeakPolarHBondContact O-CB 3.28Å; N346-D350 PolarHBondContact O-N 2.82Å; N346-M529 HydrophobicContact CB-CE 4.46Å; N346-M529 HydrophobicContact CB-CG 3.77Å; N346-M529 HydrophobicContact CB-SD 3.62Å; N346-G530 PolarHBondContact ND2-O 2.93Å; N346-R534 PolarHBondContact O-NH1 2.91Å; N346-R534 WeakPolarHBondContact OD1-CD 3.4Å |
| 347 | A | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N343 L344 D350 G351 Y520 M529 | N343-A347 PolarHBondContact O-N 3.19Å; L344-A347 WeakPolarHBondContact O-CB 3.41Å; L344-A347 PolarHBondContact O-N 3.37Å; L344-A347 VanDerWaalsContact O-N 3.09Å; A347-D350 PolarHBondContact O-N 2.8Å; A347-G351 PolarHBondContact O-N 3.5Å; A347-Y520 HydrophobicContact CB-CD1 3.97Å; A347-Y520 HydrophobicContact CB-CE1 3.42Å; A347-Y520 VanDerWaalsContact CB-CE1 3.42Å; A347-Y520 WeakPolarHBondContact O-CD2 3.37Å; A347-Y520 WeakPolarHBondContact O-CE2 3.32Å; A347-M529 HydrophobicContact CB-CB 4.32Å; A347-M529 HydrophobicContact CB-CG 4.1Å |
| 348 | I | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.8 | -35.4 | -177.2 | -56.9 | -45.9 | 0 | 0 | 0 | 111.9 | L344 G351 S352 L382 I402 F521 | L344-I348 HydrophobicContact CD1-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CG1 3.99Å; L344-I348 HydrophobicContact CG-CG1 4.27Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.36Å; I348-G351 PolarHBondContact O-N 2.69Å; I348-S352 WeakPolarHBondContact O-CB 3.08Å; I348-S352 PolarHBondContact O-N 3.17Å; I348-S352 PolarHBondContact O-OG 3.15Å; I348-L382 HydrophobicContact CB-CD2 4.14Å; I348-L382 HydrophobicContact CG1-CD2 3.81Å; I348-L382 HydrophobicContact CG2-CD2 4.33Å; I348-I402 HydrophobicContact CB-CD1 4.44Å; I348-I402 HydrophobicContact CD1-CD1 3.52Å; I348-I402 HydrophobicContact CG1-CD1 3.68Å; I348-I402 HydrophobicContact CG2-CD1 3.86Å; I348-F521 HydrophobicContact CD1-CE2 4.48Å; I348-F521 HydrophobicContact CD1-CZ 4.13Å |
| 349 | S | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | 173 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | G345 S352 T353 S375 V441 S442 | G345-S349 VanDerWaalsContact O-CB 3.27Å; G345-S349 WeakPolarHBondContact O-CB 3.42Å; G345-S349 PolarHBondContact O-N 2.99Å; G345-S349 PolarHBondContact O-OG 3.27Å; S349-S352 WeakPolarHBondContact O-CB 3.3Å; S349-S352 PolarHBondContact O-N 2.91Å; S349-T353 PolarHBondContact O-N 2.92Å; S349-S375 WeakPolarHBondContact O-CB 3.47Å; S349-V441 PolarHBondContact OG-N 3.2Å; S349-S442 WeakPolarHBondContact O-CB 3.4Å |
| 350 | D | 97.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 26 Ų | 26 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -45.5 | 174.8 | -74.1 | -0.4 | 0 | 0 | 0 | 111 | N346 A347 S352 T353 H354 S442 Y520 M529 R534 | N346-D350 VanDerWaalsContact O-CB 3.29Å; N346-D350 WeakPolarHBondContact O-CB 3.28Å; N346-D350 PolarHBondContact O-N 2.82Å; A347-D350 PolarHBondContact O-N 2.8Å; D350-S352 PolarHBondContact O-N 3.22Å; D350-T353 CarbonylContact O-C 3.58Å; D350-T353 PolarHBondContact O-N 3.1Å; D350-T353 VanDerWaalsContact O-N 3.09Å; D350-T353 PolarHBondContact O-OG1 3.45Å; D350-H354 PolarHBondContact O-N 3.38Å; D350-S442 WeakPolarHBondContact OD1-CB 3.48Å; D350-S442 PolarHBondContact OD1-OG 3.19Å; D350-Y520 HydrophobicContact CB-CE2 3.98Å; D350-M529 WeakPolarHBondContact OD2-CE 3.48Å; D350-R534 IonicContact OD1-CZ 3.07Å; D350-R534 IonicContact OD1-NH1 3.63Å; D350-R534 PolarHBondContact OD1-NH1 3.44Å; D350-R534 IonicContact OD1-NH2 3.83Å; D350-R534 PolarHBondContact OD1-NH2 2.87Å; D350-R534 IonicContact OD2-CZ 2.99Å; D350-R534 IonicContact OD2-NH1 2.56Å; D350-R534 IonicContact OD2-NH2 2.72Å; D350-R534 PolarHBondContact OD2-NH2 3.15Å |
| 351 | G | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.4 | -42.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | A347 I348 T353 H354 L355 | A347-G351 PolarHBondContact O-N 3.5Å; I348-G351 PolarHBondContact O-N 2.69Å; G351-T353 VanDerWaalsContact C-N 3.34Å; G351-T353 PolarHBondContact O-N 3.05Å; G351-H354 WeakPolarHBondContact O-CA 3.37Å; G351-H354 VanDerWaalsContact O-CB 3.3Å; G351-H354 WeakPolarHBondContact O-CB 3.34Å; G351-H354 PolarHBondContact O-N 3.48Å; G351-L355 PolarHBondContact O-N 3.29Å |
| 352 | S | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | I348 S349 D350 F356 S375 A485 C516 | I348-S352 WeakPolarHBondContact O-CB 3.08Å; I348-S352 PolarHBondContact O-N 3.17Å; I348-S352 PolarHBondContact O-OG 3.15Å; S349-S352 WeakPolarHBondContact O-CB 3.3Å; S349-S352 PolarHBondContact O-N 2.91Å; D350-S352 PolarHBondContact O-N 3.22Å; S352-F356 WeakPolarHBondContact O-CD2 3.26Å; S352-S375 VanDerWaalsContact CB-OG 3.29Å; S352-S375 WeakPolarHBondContact CB-OG 3.47Å; S352-A485 WeakPolarHBondContact O-CB 3.25Å; S352-C516 PolarHBondContact N-SG 2.95Å |
| 353 | T | 97.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | 169 | 67.9 | 0 | 0 | 0 | 0 | 113 | S349 D350 G351 L355 F356 Q357 | S349-T353 PolarHBondContact O-N 2.92Å; D350-T353 CarbonylContact O-C 3.58Å; D350-T353 PolarHBondContact O-N 3.1Å; D350-T353 VanDerWaalsContact O-N 3.09Å; D350-T353 PolarHBondContact O-OG1 3.45Å; G351-T353 VanDerWaalsContact C-N 3.34Å; G351-T353 PolarHBondContact O-N 3.05Å; T353-L355 VanDerWaalsContact C-N 3.32Å; T353-L355 PolarHBondContact O-N 2.9Å; T353-F356 PolarHBondContact O-N 3.17Å; T353-Q357 PolarHBondContact O-NE2 3.3Å |
| 354 | H | 96 | Very high | 94 | Very high | 88 Ų | 88 | 42 Ų | 42 | 41% | 0.407 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -39.5 | -177 | -162.9 | 72.8 | 0 | 0 | 0 | 112 | D350 G351 F356 Q357 E523 | D350-H354 PolarHBondContact O-N 3.38Å; G351-H354 WeakPolarHBondContact O-CA 3.37Å; G351-H354 VanDerWaalsContact O-CB 3.3Å; G351-H354 WeakPolarHBondContact O-CB 3.34Å; G351-H354 PolarHBondContact O-N 3.48Å; H354-F356 PolarHBondContact O-N 3.37Å; H354-Q357 WeakPolarHBondContact O-CG 3.39Å; H354-Q357 PolarHBondContact O-N 2.92Å; H354-E523 IonicContact CD2-OE2 3.31Å; H354-E523 PolarHBondContact CD2-OE2 2.92Å; H354-E523 VanDerWaalsContact CD2-OE2 3.25Å; H354-E523 IonicContact NE2-OE2 2.85Å |
| 355 | L | 96.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.3 | 180 | -64.9 | -177.5 | 0 | 0 | 0 | 114.6 | G351 T353 I408 V511 C516 | G351-L355 PolarHBondContact O-N 3.29Å; T353-L355 VanDerWaalsContact C-N 3.32Å; T353-L355 PolarHBondContact O-N 2.9Å; L355-I408 HydrophobicContact CD1-CB 3.83Å; L355-I408 HydrophobicContact CD1-CG1 4.09Å; L355-I408 HydrophobicContact CD1-CG2 3.92Å; L355-V511 HydrophobicContact CD1-CB 3.76Å; L355-V511 HydrophobicContact CD1-CG1 3.93Å; L355-V511 HydrophobicContact CD1-CG2 4.08Å; L355-V511 HydrophobicContact CD2-CB 4.4Å; L355-V511 HydrophobicContact CD2-CG1 4.18Å; L355-V511 HydrophobicContact CD2-CG2 4.02Å; L355-C516 HydrophobicContact CD1-CB 4.11Å |
| 356 | F | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 1.5 | -178.9 | -57.1 | -69.2 | 0 | 0 | 0 | 114.2 | S352 T353 H354 T371 C372 I408 L410 A485 K507 | S352-F356 WeakPolarHBondContact O-CD2 3.26Å; T353-F356 PolarHBondContact O-N 3.17Å; H354-F356 PolarHBondContact O-N 3.37Å; F356-T371 WeakPolarHBondContact O-CB 3.42Å; F356-T371 PolarHBondContact O-OG1 3Å; F356-C372 HydrophobicContact CB-CB 3.71Å; F356-C372 HydrophobicContact CD2-CB 4.36Å; F356-C372 HydrophobicContact CG-CB 4.39Å; F356-I408 HydrophobicContact CE2-CG2 3.77Å; F356-I408 HydrophobicContact CZ-CG2 4.11Å; F356-L410 HydrophobicContact CD1-CB 3.93Å; F356-L410 HydrophobicContact CD1-CD2 4.25Å; F356-L410 HydrophobicContact CD2-CB 4.32Å; F356-L410 HydrophobicContact CD2-CD1 4.26Å; F356-L410 HydrophobicContact CE1-CB 3.68Å; F356-L410 HydrophobicContact CE2-CB 4.07Å; F356-L410 HydrophobicContact CG-CB 4.25Å; F356-L410 HydrophobicContact CG-CD1 4.38Å; F356-L410 HydrophobicContact CG-CD2 4.37Å; F356-L410 HydrophobicContact CZ-CB 3.75Å; F356-A485 HydrophobicContact CD2-CB 3.83Å; F356-A485 HydrophobicContact CE2-CB 3.7Å; F356-K507 HydrophobicContact CD1-CD 4.22Å; F356-K507 HydrophobicContact CE1-CD 4.36Å; F356-K507 HydrophobicContact CE1-CG 4.19Å |
| 357 | Q | 94 | Very high | 92.7 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -64 | 142.8 | -178.7 | -61.3 | -55.9 | -54.1 | 0 | 0 | 111.9 | T353 H354 K359 T370 C372 | T353-Q357 PolarHBondContact O-NE2 3.3Å; H354-Q357 WeakPolarHBondContact O-CG 3.39Å; H354-Q357 PolarHBondContact O-N 2.92Å; Q357-K359 PolarHBondContact O-N 3.05Å; Q357-T370 PolarHBondContact NE2-OG1 2.95Å; Q357-T370 VanDerWaalsContact NE2-OG1 3.15Å; Q357-T370 PolarHBondContact OE1-OG1 3.12Å; Q357-C372 PolarHBondContact NE2-O 2.91Å |
| 358 | P | 92 | Very high | 92.3 | Very high | 32 Ų | 32 | 59 Ų | 59 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | trans | -64.3 | 124.6 | 176.4 | 27.2 | -34.3 | 0 | 0 | 0 | 110 | D363 L364 | P358-D363 HydrophobicContact CB-CB 3.64Å; P358-L364 HydrophobicContact CB-CD2 4.25Å; P358-L364 HydrophobicContact CB-CG 4.25Å; P358-L364 HydrophobicContact CG-CD2 3.73Å; P358-L364 HydrophobicContact CG-CG 4.25Å | ||
| 359 | K | 90.2 | Very high | 92.2 | Very high | 193 Ų | 193 | 62.8 Ų | 62.8 | 84% | 0.839 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -85.2 | -23.5 | -176.6 | -64.2 | -171.2 | 176.7 | -171.7 | 0 | 112.4 | Q357 D363 | Q357-K359 PolarHBondContact O-N 3.05Å; K359-D363 PolarHBondContact N-OD2 3.22Å |
| 360 | T | 91.2 | Very high | 92 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -134 | 162.7 | 178.7 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | S362 D363 | T360-S362 PolarHBondContact O-N 3.3Å; T360-S362 VanDerWaalsContact O-N 3.16Å; T360-S362 PolarHBondContact OG1-N 2.93Å; T360-S362 PolarHBondContact OG1-OG 3.05Å; T360-D363 WeakPolarHBondContact CA-OD2 3.48Å; T360-D363 WeakPolarHBondContact CB-OD2 3.28Å; T360-D363 PolarHBondContact N-OD2 3.45Å; T360-D363 PolarHBondContact O-N 2.75Å; T360-D363 PolarHBondContact OG1-N 3.11Å; T360-D363 PolarHBondContact OG1-OD2 2.97Å |
| 361 | A | 86.9 | Confident | 91.9 | Very high | 86 Ų | 86 | 63 Ų | 63 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L364 | A361-L364 HydrophobicContact CB-CD1 4.49Š|
| 362 | S | 89.3 | Confident | 91.8 | Very high | 110 Ų | 110 | 63 Ų | 63 | 77% | 0.769 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.6 | 172.8 | 29.1 | 0 | 0 | 0 | 0 | 114.4 | T360 | T360-S362 PolarHBondContact O-N 3.3Å; T360-S362 VanDerWaalsContact O-N 3.16Å; T360-S362 PolarHBondContact OG1-N 2.93Å; T360-S362 PolarHBondContact OG1-OG 3.05Å |
| 363 | D | 87.9 | Confident | 91.7 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -91.3 | -6.5 | 174.6 | -54.4 | -56 | 0 | 0 | 0 | 112.5 | P358 K359 T360 | P358-D363 HydrophobicContact CB-CB 3.64Å; K359-D363 PolarHBondContact N-OD2 3.22Å; T360-D363 WeakPolarHBondContact CA-OD2 3.48Å; T360-D363 WeakPolarHBondContact CB-OD2 3.28Å; T360-D363 PolarHBondContact N-OD2 3.45Å; T360-D363 PolarHBondContact O-N 2.75Å; T360-D363 PolarHBondContact OG1-N 3.11Å; T360-D363 PolarHBondContact OG1-OD2 2.97Å |
| 364 | L | 87.9 | Confident | 91.8 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.4 | 131 | 179.1 | -79.8 | 165.1 | 0 | 0 | 0 | 111.2 | P358 A361 W369 | P358-L364 HydrophobicContact CB-CD2 4.25Å; P358-L364 HydrophobicContact CB-CG 4.25Å; P358-L364 HydrophobicContact CG-CD2 3.73Å; P358-L364 HydrophobicContact CG-CG 4.25Å; A361-L364 HydrophobicContact CB-CD1 4.49Å; L364-W369 WeakPolarHBondContact CD2-O 3.35Å |
| 365 | P | 87 | Confident | 91.9 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 24% | 0.24 | 32% | 0.319 | C | S | . | . | trans | -60.2 | 141 | 167.2 | -22.4 | 34.3 | 0 | 0 | 0 | 111.4 | D367 G368 | P365-D367 PolarHBondContact O-N 2.73Å; P365-G368 PolarHBondContact O-N 3.02Å; P365-G368 VanDerWaalsContact O-N 3.12Å; P365-G368 VanDerWaalsContact O-O 3.1Å | ||
| 366 | E | 85.2 | Confident | 92 | Very high | 218 Ų | 218 | 56.8 Ų | 56.8 | 100% | 1.019 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.2 | -178.3 | -61.6 | -172 | 155.9 | 0 | 0 | 113.7 | ||
| 367 | D | 84.9 | Confident | 92.1 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 3.3 | -177.8 | 68.5 | -3.5 | 0 | 0 | 0 | 114.6 | P365 R467 | P365-D367 PolarHBondContact O-N 2.73Å; D367-R467 HydrophobicContact CB-CG 4.49Å; D367-R467 CarbonylContact O-C 3.49Å; D367-R467 WeakPolarHBondContact O-CA 3.35Å; D367-R467 WeakPolarHBondContact O-CB 3.48Å; D367-R467 IonicContact OD1-NE 2.74Å; D367-R467 PolarHBondContact OD1-NE 3.45Å; D367-R467 WeakPolarHBondContact OD2-CD 3.27Å; D367-R467 IonicContact OD2-CZ 3.07Å; D367-R467 IonicContact OD2-NE 3.44Å; D367-R467 PolarHBondContact OD2-NE 3.11Å |
| 368 | G | 90 | Very high | 92.2 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | trans | -142.7 | 157.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P365 Q466 | P365-G368 PolarHBondContact O-N 3.02Å; P365-G368 VanDerWaalsContact O-N 3.12Å; P365-G368 VanDerWaalsContact O-O 3.1Å; G368-Q466 VanDerWaalsContact CA-O 3.23Å; G368-Q466 WeakPolarHBondContact CA-O 3.17Å | ||
| 369 | W | 93.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 31% | 0.311 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -89 | -7.5 | 177 | 61.5 | -88.6 | 0 | 0 | 0 | 113.4 | L364 A373 L464 C465 Q466 C468 P471 | L364-W369 WeakPolarHBondContact CD2-O 3.35Å; W369-A373 HydrophobicContact CH2-CB 4.25Å; W369-A373 HydrophobicContact CZ2-CB 3.87Å; W369-L464 HydrophobicContact CH2-CD2 3.88Å; W369-L464 HydrophobicContact CZ2-CD2 3.82Å; W369-L464 HydrophobicContact CZ2-CG 4.02Å; W369-C465 PolarHBondContact NE1-O 2.99Å; W369-Q466 PolarHBondContact N-O 3.17Å; W369-Q466 PolarHBondContact NE1-O 3.39Å; W369-C468 VanDerWaalsContact CD1-O 3.26Å; W369-P471 HydrophobicContact CD2-CG 3.81Å; W369-P471 HydrophobicContact CE3-CG 4.28Å; W369-P471 HydrophobicContact CG-CG 4.22Å; W369-P471 HydrophobicContact CH2-CG 4.43Å; W369-P471 HydrophobicContact CZ2-CB 3.89Å; W369-P471 HydrophobicContact CZ2-CG 3.97Å |
| 370 | T | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -157.1 | 156.5 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | Q357 C372 A373 Q466 | Q357-T370 PolarHBondContact NE2-OG1 2.95Å; Q357-T370 VanDerWaalsContact NE2-OG1 3.15Å; Q357-T370 PolarHBondContact OE1-OG1 3.12Å; T370-C372 VanDerWaalsContact C-N 3.31Å; T370-C372 WeakPolarHBondContact CG2-O 3.45Å; T370-C372 PolarHBondContact OG1-N 3.29Å; T370-C372 PolarHBondContact OG1-O 3.39Å; T370-A373 HydrophobicContact CG2-CB 3.92Å; T370-Q466 HydrophobicContact CG2-CG 4.1Å; T370-Q466 WeakPolarHBondContact O-CG 3.29Å; T370-Q466 PolarHBondContact O-NE2 2.98Å | ||
| 371 | T | 93.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -69.9 | -25.5 | 168.5 | -23.7 | 0 | 0 | 0 | 0 | 113 | F356 L410 Q466 | F356-T371 WeakPolarHBondContact O-CB 3.42Å; F356-T371 PolarHBondContact O-OG1 3Å; T371-L410 HydrophobicContact CG2-CD2 4.14Å; T371-Q466 PolarHBondContact O-NE2 3.22Å; T371-Q466 VanDerWaalsContact O-NE2 3.09Å |
| 372 | C | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -152.8 | 118.2 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | F356 Q357 T370 I374 L410 A485 | F356-C372 HydrophobicContact CB-CB 3.71Å; F356-C372 HydrophobicContact CD2-CB 4.36Å; F356-C372 HydrophobicContact CG-CB 4.39Å; Q357-C372 PolarHBondContact NE2-O 2.91Å; T370-C372 VanDerWaalsContact C-N 3.31Å; T370-C372 WeakPolarHBondContact CG2-O 3.45Å; T370-C372 PolarHBondContact OG1-N 3.29Å; T370-C372 PolarHBondContact OG1-O 3.39Å; C372-I374 PolarHBondContact SG-O 3.13Å; C372-L410 HydrophobicContact CB-CD1 3.7Å; C372-L410 VanDerWaalsContact SG-CD1 3.52Å; C372-A485 PolarHBondContact SG-N 2.97Å; C372-A485 VanDerWaalsContact SG-N 3.45Å | ||
| 373 | A | 97.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | -102.9 | -14.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | W369 T370 G443 L464 Q466 | W369-A373 HydrophobicContact CH2-CB 4.25Å; W369-A373 HydrophobicContact CZ2-CB 3.87Å; T370-A373 HydrophobicContact CG2-CB 3.92Å; A373-G443 WeakPolarHBondContact O-CA 3.43Å; A373-L464 HydrophobicContact CB-CB 4.47Å; A373-L464 HydrophobicContact CB-CD2 4.48Å; A373-L464 WeakPolarHBondContact CB-O 3.21Å; A373-Q466 HydrophobicContact CB-CB 3.92Å; A373-Q466 HydrophobicContact CB-CG 4.44Å | ||
| 374 | I | 98.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.6 | -167 | -57.6 | 160.5 | 0 | 0 | 0 | 109.8 | C372 S442 L463 Y482 V484 A485 | C372-I374 PolarHBondContact SG-O 3.13Å; I374-S442 CarbonylContact C-O 3.21Å; I374-S442 WeakPolarHBondContact CA-O 3.37Å; I374-L463 HydrophobicContact CD1-CB 4.01Å; I374-L463 HydrophobicContact CD1-CD1 4.35Å; I374-L463 HydrophobicContact CD1-CD2 4.24Å; I374-L463 HydrophobicContact CD1-CG 4.42Å; I374-Y482 HydrophobicContact CD1-CD1 3.81Å; I374-Y482 HydrophobicContact CD1-CG 4.42Å; I374-V484 HydrophobicContact CB-CG2 4.3Å; I374-V484 HydrophobicContact CG2-CG1 4.22Å; I374-V484 HydrophobicContact CG2-CG2 4.15Å; I374-A485 PolarHBondContact O-N 3.31Å |
| 375 | S | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.6 | 166.4 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | S349 S352 V441 S442 A485 | S349-S375 WeakPolarHBondContact O-CB 3.47Å; S352-S375 VanDerWaalsContact CB-OG 3.29Å; S352-S375 WeakPolarHBondContact CB-OG 3.47Å; S375-V441 CarbonylContact O-C 3.41Å; S375-V441 VanDerWaalsContact O-CA 3.25Å; S375-V441 WeakPolarHBondContact O-CA 3.39Å; S375-S442 PolarHBondContact N-O 3.25Å; S375-S442 PolarHBondContact O-N 2.9Å; S375-A485 CarbonylContact C-O 3.57Å; S375-A485 WeakPolarHBondContact CA-O 3.33Å; S375-A485 WeakPolarHBondContact CB-O 3.38Å; S375-A485 PolarHBondContact OG-O 3.22Å |
| 376 | I | 98.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.7 | 170.4 | 66.2 | -177.4 | 0 | 0 | 0 | 109.8 | L418 F422 L439 V441 V484 A485 T486 L500 | I376-L418 HydrophobicContact CD1-CD1 4.1Å; I376-L418 HydrophobicContact CG2-CD1 4.48Å; I376-F422 HydrophobicContact CG2-CE2 4.15Å; I376-F422 HydrophobicContact CG2-CZ 4.11Å; I376-L439 HydrophobicContact CB-CD1 4.09Å; I376-L439 HydrophobicContact CB-CD2 4.11Å; I376-L439 HydrophobicContact CD1-CD1 4.49Å; I376-L439 HydrophobicContact CG2-CD1 4.21Å; I376-V441 HydrophobicContact CG2-CG1 4.15Å; I376-V484 HydrophobicContact CD1-CG1 4.25Å; I376-V484 HydrophobicContact CG1-CG1 3.94Å; I376-V484 HydrophobicContact CG2-CG1 4.4Å; I376-A485 PolarHBondContact N-O 3.02Å; I376-T486 WeakPolarHBondContact O-CA 3.47Å; I376-T486 WeakPolarHBondContact O-CB 3.37Å; I376-T486 PolarHBondContact O-OG1 2.89Å; I376-L500 HydrophobicContact CD1-CD1 4.04Å; I376-L500 HydrophobicContact CD1-CD2 4.11Å |
| 377 | I | 97.8 | Very high | 90 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134 | 178.6 | -60.4 | -65.7 | 0 | 0 | 0 | 108.2 | T381 I408 L439 Q440 | I377-T381 HydrophobicContact CG2-CG2 4.01Å; I377-I408 HydrophobicContact CD1-CD1 3.98Å; I377-L439 CarbonylContact O-C 3.53Å; I377-L439 WeakPolarHBondContact O-CA 3.27Å; I377-Q440 PolarHBondContact N-O 3.42Å; I377-Q440 PolarHBondContact O-N 3.25Å |
| 378 | N | 96.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 139.3 | 178.1 | 66.8 | -49 | 0 | 0 | 0 | 110.7 | G380 T381 K487 L490 D495 | N378-G380 PolarHBondContact O-N 2.72Å; N378-T381 VanDerWaalsContact O-CB 3.23Å; N378-T381 WeakPolarHBondContact O-CB 3.29Å; N378-T381 PolarHBondContact O-N 3.04Å; N378-T381 PolarHBondContact O-OG1 3.29Å; N378-T381 PolarHBondContact OD1-OG1 3.11Å; N378-K487 WeakPolarHBondContact OD1-CE 3.44Å; N378-K487 PolarHBondContact OD1-NZ 3.07Å; N378-L490 HydrophobicContact CB-CD1 4.08Å; N378-L490 HydrophobicContact CB-CD2 4.03Å; N378-D495 PolarHBondContact ND2-OD2 3.05Å |
| 379 | S | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -7.6 | -178.8 | -61 | 0 | 0 | 0 | 0 | 113.3 | C337 T381 L382 G436 F438 Q440 | C337-S379 PolarHBondContact O-OG 3.1Å; C337-S379 VanDerWaalsContact O-OG 3.09Å; S379-T381 VanDerWaalsContact C-N 3.27Å; S379-L382 PolarHBondContact O-N 3Å; S379-G436 CarbonylContact C-O 3.45Å; S379-G436 PolarHBondContact N-O 3.38Å; S379-F438 WeakPolarHBondContact CB-O 3.39Å; S379-F438 PolarHBondContact N-O 2.81Å; S379-F438 PolarHBondContact OG-O 2.59Å; S379-Q440 WeakPolarHBondContact OG-CG 3.43Å; S379-Q440 PolarHBondContact OG-NE2 3.24Å; S379-Q440 VanDerWaalsContact OG-NE2 3.08Å |
| 380 | G | 89.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 18.8 Ų | 18.8 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N378 L382 F404 G436 | N378-G380 PolarHBondContact O-N 2.72Å; G380-L382 VanDerWaalsContact C-N 3.28Å; G380-L382 PolarHBondContact O-N 2.57Å; G380-F404 VanDerWaalsContact O-CE2 3.26Å; G380-F404 WeakPolarHBondContact O-CE2 3.34Å; G380-G436 PolarHBondContact N-O 3.26Å |
| 381 | T | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -58.2 | -39.9 | 171.9 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | I377 N378 S379 R383 I402 F404 K487 E513 | I377-T381 HydrophobicContact CG2-CG2 4.01Å; N378-T381 VanDerWaalsContact O-CB 3.23Å; N378-T381 WeakPolarHBondContact O-CB 3.29Å; N378-T381 PolarHBondContact O-N 3.04Å; N378-T381 PolarHBondContact O-OG1 3.29Å; N378-T381 PolarHBondContact OD1-OG1 3.11Å; S379-T381 VanDerWaalsContact C-N 3.27Å; T381-R383 PolarHBondContact O-N 3.1Å; T381-I402 HydrophobicContact CG2-CG1 4.46Å; T381-I402 HydrophobicContact CG2-CG2 3.77Å; T381-F404 WeakPolarHBondContact O-CD2 3.45Å; T381-F404 WeakPolarHBondContact O-CE2 3.32Å; T381-K487 PolarHBondContact OG1-NZ 3.14Å; T381-E513 WeakPolarHBondContact CB-OE1 3.47Å; T381-E513 HydrophobicContact CG2-CB 4.4Å; T381-E513 WeakPolarHBondContact CG2-OE1 3.31Å; T381-E513 PolarHBondContact OG1-OE1 3.41Å |
| 382 | L | 89.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -92.5 | 104.7 | -169.6 | -54.4 | 173.5 | 0 | 0 | 0 | 108.7 | W11 C337 L344 I348 S379 G380 I402 Q440 | W11-L382 WeakPolarHBondContact CH2-O 3.42Å; C337-L382 HydrophobicContact CB-CD1 4.31Å; L344-L382 HydrophobicContact CD2-CD2 4.32Å; L344-L382 HydrophobicContact CG-CD2 4.23Å; I348-L382 HydrophobicContact CB-CD2 4.14Å; I348-L382 HydrophobicContact CG1-CD2 3.81Å; I348-L382 HydrophobicContact CG2-CD2 4.33Å; S379-L382 PolarHBondContact O-N 3Å; G380-L382 VanDerWaalsContact C-N 3.28Å; G380-L382 PolarHBondContact O-N 2.57Å; L382-I402 HydrophobicContact CD2-CG1 4.33Å; L382-Q440 HydrophobicContact CD1-CB 4.45Å; L382-Q440 HydrophobicContact CD1-CG 3.65Å |
| 383 | R | 80.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | trans | -74 | 167.9 | 178.5 | -46.6 | -63 | -74.2 | -162.4 | -2.1 | 111.1 | W11 H23 H108 G332 T381 F385 T400 M401 P403 | W11-R383 HydrophobicContact CH2-CB 4.35Å; W11-R383 VanDerWaalsContact CZ2-CZ 3.47Å; H23-R383 WeakPolarHBondContact NE2-CB 3.25Å; H108-R383 PolarHBondContact NE2-NH1 3.19Å; G332-R383 CarbonylContact C-O 3.59Å; G332-R383 VanDerWaalsContact O-O 3.12Å; T381-R383 PolarHBondContact O-N 3.1Å; R383-F385 PolarHBondContact O-N 3.19Å; R383-T400 WeakPolarHBondContact CB-O 3.41Å; R383-M401 PolarHBondContact N-O 3.4Å; R383-P403 HydrophobicContact CG-CG 3.73Å | ||
| 384 | D | 71.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -64.1 | 31.8 | 179.4 | -80 | -27.5 | 0 | 0 | 0 | 115 | W11 V12 Y267 T333 S334 | W11-D384 WeakPolarHBondContact CA-OD2 3.43Å; W11-D384 WeakPolarHBondContact CB-OD2 3.34Å; W11-D384 HydrophobicContact CE3-CB 4.28Å; V12-D384 PolarHBondContact N-OD2 2.97Å; Y267-D384 VanDerWaalsContact OH-CB 3.26Å; Y267-D384 WeakPolarHBondContact OH-CB 3.44Å; Y267-D384 PolarHBondContact OH-OD2 2.82Å; T333-D384 VanDerWaalsContact CA-OD1 3.27Å; T333-D384 WeakPolarHBondContact CA-OD1 3.37Å; S334-D384 PolarHBondContact N-OD1 3.14Å; S334-D384 PolarHBondContact OG-OD1 3.11Å |
| 385 | F | 79.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | trans | -63.1 | 136.3 | 165.5 | 179.4 | -91 | 0 | 0 | 0 | 110.5 | L330 G332 R383 K387 D397 T400 M401 | L330-F385 HydrophobicContact CB-CE1 4.32Å; G332-F385 WeakPolarHBondContact CA-O 3.24Å; G332-F385 PolarHBondContact N-O 2.87Å; R383-F385 PolarHBondContact O-N 3.19Å; F385-K387 HydrophobicContact CE1-CB 3.78Å; F385-K387 HydrophobicContact CZ-CB 3.9Å; F385-D397 HydrophobicContact CE2-CB 3.82Å; F385-D397 HydrophobicContact CZ-CB 4.02Å; F385-T400 HydrophobicContact CD2-CG2 4.41Å; F385-M401 HydrophobicContact CB-CB 4.34Å; F385-M401 HydrophobicContact CB-CG 3.51Å; F385-M401 HydrophobicContact CD1-CE 4.38Å; F385-M401 HydrophobicContact CD1-CG 3.26Å; F385-M401 HydrophobicContact CD1-SD 3.6Å; F385-M401 HydrophobicContact CD2-CG 3.86Å; F385-M401 HydrophobicContact CE1-CE 3.98Å; F385-M401 HydrophobicContact CE1-CG 3.85Å; F385-M401 HydrophobicContact CE1-SD 3.67Å; F385-M401 HydrophobicContact CE2-CG 4.38Å; F385-M401 HydrophobicContact CG-CB 4.46Å; F385-M401 HydrophobicContact CG-CG 3.25Å; F385-M401 HydrophobicContact CG-SD 4.21Å; F385-M401 HydrophobicContact CZ-CE 4.06Å; F385-M401 HydrophobicContact CZ-CG 4.37Å; F385-M401 HydrophobicContact CZ-SD 4.32Å | ||
| 386 | S | 76.5 | Confident | 86.8 | Confident | 17 Ų | 17 | 25 Ų | 25 | 12% | 0.119 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.4 | 165.9 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | V20 L330 | V20-S386 WeakPolarHBondContact CG1-O 3.34Å; V20-S386 WeakPolarHBondContact CG2-O 3.26Å; L330-S386 CarbonylContact O-C 3.57Å; L330-S386 VanDerWaalsContact O-CA 3.3Å; L330-S386 WeakPolarHBondContact O-CA 3.5Å |
| 387 | K | 81.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 25 Ų | 25 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 102.5 | 176.3 | -175.9 | -173.6 | 176.2 | 84.2 | 0 | 106.9 | T326 S329 L330 F385 E389 N392 L393 | T326-K387 HydrophobicContact CG2-CD 3.73Å; S329-K387 CarbonylContact C-O 3.57Å; S329-K387 WeakPolarHBondContact CA-O 3.2Å; S329-K387 WeakPolarHBondContact CB-O 3.49Å; L330-K387 PolarHBondContact N-O 3.02Å; L330-K387 PolarHBondContact O-N 2.84Å; F385-K387 HydrophobicContact CE1-CB 3.78Å; F385-K387 HydrophobicContact CZ-CB 3.9Å; K387-E389 WeakPolarHBondContact CE-O 3.31Å; K387-N392 WeakPolarHBondContact CE-O 3.19Å; K387-N392 PolarHBondContact NZ-O 2.77Å; K387-L393 HydrophobicContact CD-CD2 3.68Å |
| 388 | E | 73.9 | Confident | 85.8 | Confident | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.341 | 14% | 0.14 | S | C | . | . | trans | -72 | -44.7 | -177 | -56.1 | -162.2 | 107.2 | 0 | 0 | 112 | N19 V20 S329 | N19-E388 HydrophobicContact CB-CG 4.35Å; N19-E388 VanDerWaalsContact CB-OE2 3.32Å; N19-E388 WeakPolarHBondContact CB-OE2 3.3Å; N19-E388 PolarHBondContact N-OE2 2.97Å; N19-E388 PolarHBondContact ND2-OE1 3.26Å; V20-E388 HydrophobicContact CG2-CG 4.38Å; S329-E388 WeakPolarHBondContact CB-O 3.41Å | ||
| 389 | E | 78.1 | Confident | 85.2 | Confident | 143 Ų | 143 | 27 Ų | 27 | 67% | 0.668 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -93.9 | 145 | -172.3 | -65.7 | -60.7 | 151.9 | 0 | 0 | 113.2 | K387 | K387-E389 WeakPolarHBondContact CE-O 3.31Š|
| 390 | P | 85.8 | Confident | 84.6 | Confident | 72 Ų | 72 | 27.4 Ų | 27.4 | 47% | 0.468 | 15% | 0.15 | S | C | . | . | trans | -51.7 | 150 | 169.3 | -29.1 | 37.4 | 0 | 0 | 0 | 114 | T326 | T326-P390 CarbonylContact O-C 3.46Å; T326-P390 VanDerWaalsContact O-CA 3.28Å; T326-P390 WeakPolarHBondContact O-CA 3.41Å; T326-P390 WeakPolarHBondContact O-CB 2.95Å | ||
| 391 | G | 90.5 | Very high | 84.4 | Confident | 25 Ų | 25 | 27 Ų | 27 | 26% | 0.258 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.8 | -170 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | S325 T326 | S325-G391 CarbonylContact C-O 3.51Å; S325-G391 VanDerWaalsContact CA-O 3.3Å; S325-G391 WeakPolarHBondContact CA-O 3.39Å; T326-G391 PolarHBondContact N-O 2.82Å; T326-G391 PolarHBondContact O-N 3.46Å |
| 392 | N | 93.4 | Very high | 84.3 | Confident | 95 Ų | 95 | 27 Ų | 27 | 51% | 0.508 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 150.5 | -174.7 | -65.6 | 18.5 | 0 | 0 | 0 | 113.1 | T322 G324 K387 | T322-N392 HydrophobicContact CG2-CB 4.05Å; T322-N392 PolarHBondContact OG1-ND2 2.95Å; G324-N392 WeakPolarHBondContact O-CA 3.22Å; K387-N392 WeakPolarHBondContact CE-O 3.19Å; K387-N392 PolarHBondContact NZ-O 2.77Å |
| 393 | L | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.4 | 166.3 | -60 | 173.3 | 0 | 0 | 0 | 107.6 | T322 I323 G324 T326 L330 K387 F521 V527 | T322-L393 CarbonylContact C-O 3.52Å; T322-L393 WeakPolarHBondContact CA-O 3.09Å; I323-L393 HydrophobicContact CG1-CB 4.09Å; I323-L393 WeakPolarHBondContact CG1-O 3.39Å; I323-L393 PolarHBondContact N-O 3.06Å; G324-L393 PolarHBondContact N-O 2.86Å; G324-L393 PolarHBondContact O-N 3.43Å; T326-L393 HydrophobicContact CG2-CD2 4.29Å; L330-L393 HydrophobicContact CD1-CD1 4.03Å; L330-L393 HydrophobicContact CD1-CD2 3.93Å; K387-L393 HydrophobicContact CD-CD2 3.68Å; L393-F521 HydrophobicContact CD1-CB 4.21Å; L393-F521 HydrophobicContact CD1-CD1 3.69Å; L393-F521 HydrophobicContact CD1-CD2 4.39Å; L393-F521 HydrophobicContact CD1-CE1 4.11Å; L393-F521 HydrophobicContact CD1-CG 3.85Å; L393-V527 HydrophobicContact CD1-CG2 4.19Å |
| 394 | T | 91 | Very high | 84.1 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 166.5 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | V321 I323 Q396 D397 A398 | V321-T394 CarbonylContact O-C 3.54Å; V321-T394 VanDerWaalsContact O-CA 3.26Å; V321-T394 WeakPolarHBondContact O-CA 3.26Å; I323-T394 VanDerWaalsContact CD1-O 3.28Å; I323-T394 WeakPolarHBondContact CD1-O 3.11Å; T394-Q396 VanDerWaalsContact C-N 3.25Å; T394-Q396 PolarHBondContact O-N 3.21Å; T394-D397 WeakPolarHBondContact CB-OD2 3.49Å; T394-D397 PolarHBondContact N-OD2 2.86Å; T394-D397 WeakPolarHBondContact O-CB 3.23Å; T394-D397 PolarHBondContact O-N 3.26Å; T394-D397 VanDerWaalsContact O-N 3.11Å; T394-D397 PolarHBondContact OG1-N 3.21Å; T394-D397 VanDerWaalsContact OG1-N 3.11Å; T394-D397 PolarHBondContact OG1-OD2 2.95Å; T394-A398 PolarHBondContact O-N 3.35Å |
| 395 | L | 89.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | 173.6 | -174.5 | 64.5 | 0 | 0 | 0 | 111.1 | F318 V321 I323 A398 Y399 I518 | F318-L395 HydrophobicContact CD1-CD2 3.69Å; F318-L395 HydrophobicContact CD1-CG 3.89Å; F318-L395 HydrophobicContact CE1-CD2 4.16Å; F318-L395 HydrophobicContact CG-CD2 4.33Å; F318-L395 PolarHBondContact O-N 3.3Å; V321-L395 HydrophobicContact CB-CB 4.02Å; V321-L395 HydrophobicContact CB-CD2 4.44Å; V321-L395 HydrophobicContact CG1-CB 4.11Å; V321-L395 HydrophobicContact CG1-CD2 4.46Å; V321-L395 PolarHBondContact O-N 3.32Å; I323-L395 HydrophobicContact CG2-CB 4.07Å; I323-L395 HydrophobicContact CG2-CD1 4.13Å; L395-A398 PolarHBondContact O-N 2.8Å; L395-Y399 HydrophobicContact CD1-CD2 4.23Å; L395-Y399 HydrophobicContact CD1-CE2 3.7Å; L395-Y399 HydrophobicContact CD2-CE2 4.35Å; L395-Y399 HydrophobicContact CG-CD2 4.07Å; L395-Y399 HydrophobicContact CG-CE2 3.8Å; L395-Y399 VanDerWaalsContact O-CD2 3.25Å; L395-Y399 WeakPolarHBondContact O-CD2 3.32Å; L395-Y399 PolarHBondContact O-N 3.27Å; L395-I518 HydrophobicContact CD1-CD1 3.46Å; L395-I518 VanDerWaalsContact CD1-CD1 3.46Å; L395-I518 HydrophobicContact CD1-CG1 4Å |
| 396 | Q | 84.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 168.2 | -177.8 | -172.1 | -38.3 | 0 | 0 | 111.1 | L81 F318 T394 A398 Y399 T400 | L81-Q396 HydrophobicContact CD2-CG 4.34Å; F318-Q396 HydrophobicContact CB-CB 4.33Å; F318-Q396 PolarHBondContact O-N 3.04Å; T394-Q396 VanDerWaalsContact C-N 3.25Å; T394-Q396 PolarHBondContact O-N 3.21Å; Q396-A398 PolarHBondContact O-N 2.76Å; Q396-Y399 PolarHBondContact O-N 3.49Å; Q396-Y399 VanDerWaalsContact O-N 3.08Å; Q396-T400 PolarHBondContact O-N 2.98Å; Q396-T400 PolarHBondContact O-OG1 3.08Å |
| 397 | D | 85.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -38.5 | -177.9 | -62.3 | -44.4 | 0 | 0 | 0 | 111.8 | Q35 F385 T394 T400 M401 | Q35-D397 PolarHBondContact NE2-OD1 3.29Å; F385-D397 HydrophobicContact CE2-CB 3.82Å; F385-D397 HydrophobicContact CZ-CB 4.02Å; T394-D397 WeakPolarHBondContact CB-OD2 3.49Å; T394-D397 PolarHBondContact N-OD2 2.86Å; T394-D397 WeakPolarHBondContact O-CB 3.23Å; T394-D397 PolarHBondContact O-N 3.26Å; T394-D397 VanDerWaalsContact O-N 3.11Å; T394-D397 PolarHBondContact OG1-N 3.21Å; T394-D397 VanDerWaalsContact OG1-N 3.11Å; T394-D397 PolarHBondContact OG1-OD2 2.95Å; D397-T400 PolarHBondContact O-N 3.04Å; D397-M401 VanDerWaalsContact C-CE 3.48Å; D397-M401 HydrophobicContact CB-CE 3.88Å; D397-M401 WeakPolarHBondContact O-CB 3.45Å; D397-M401 WeakPolarHBondContact O-CE 3.49Å; D397-M401 VanDerWaalsContact O-CG 3.28Å; D397-M401 WeakPolarHBondContact O-CG 3.27Å; D397-M401 PolarHBondContact O-N 3.16Å |
| 398 | A | 88.2 | Confident | 86.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I323 T394 L395 Q396 T400 M401 I402 I518 | I323-A398 HydrophobicContact CD1-CB 3.61Å; T394-A398 PolarHBondContact O-N 3.35Å; L395-A398 PolarHBondContact O-N 2.8Å; Q396-A398 PolarHBondContact O-N 2.76Å; A398-T400 VanDerWaalsContact C-N 3.29Å; A398-T400 PolarHBondContact O-N 2.92Å; A398-M401 PolarHBondContact O-N 3.14Å; A398-I402 PolarHBondContact O-N 3.28Å; A398-I518 HydrophobicContact CB-CD1 4.26Å; A398-I518 HydrophobicContact CB-CG1 3.47Å; A398-I518 VanDerWaalsContact CB-CG1 3.47Å |
| 399 | Y | 84.7 | Confident | 88.1 | Confident | 46 Ų | 46 | 31 Ų | 31 | 18% | 0.18 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.4 | -24.2 | 177.7 | -75.1 | -62.5 | 0 | 0 | 0 | 113.4 | L81 I84 F318 L395 Q396 I402 P403 I518 | L81-Y399 HydrophobicContact CD1-CD2 4.16Å; L81-Y399 HydrophobicContact CD1-CG 4.28Å; I84-Y399 HydrophobicContact CD1-CD1 4.01Å; I84-Y399 HydrophobicContact CD1-CG 4.25Å; I84-Y399 HydrophobicContact CG2-CD1 4.39Å; F318-Y399 AromaticContact CD1-CD2 3.8Å; F318-Y399 HydrophobicContact CD1-CD2 3.8Å; F318-Y399 AromaticContact CD1-CE2 3.85Å; F318-Y399 HydrophobicContact CD1-CE2 3.85Å; F318-Y399 HydrophobicContact CE1-CD2 4.02Å; F318-Y399 AromaticContact CE1-CE2 3.71Å; F318-Y399 HydrophobicContact CE1-CE2 3.71Å; L395-Y399 HydrophobicContact CD1-CD2 4.23Å; L395-Y399 HydrophobicContact CD1-CE2 3.7Å; L395-Y399 HydrophobicContact CD2-CE2 4.35Å; L395-Y399 HydrophobicContact CG-CD2 4.07Å; L395-Y399 HydrophobicContact CG-CE2 3.8Å; L395-Y399 VanDerWaalsContact O-CD2 3.25Å; L395-Y399 WeakPolarHBondContact O-CD2 3.32Å; L395-Y399 PolarHBondContact O-N 3.27Å; Q396-Y399 PolarHBondContact O-N 3.49Å; Q396-Y399 VanDerWaalsContact O-N 3.08Å; Y399-I402 CarbonylContact O-C 3.59Å; Y399-P403 VanDerWaalsContact O-CA 3.31Å; Y399-P403 WeakPolarHBondContact O-CA 3.44Å; Y399-I518 HydrophobicContact CE2-CD1 4.28Å |
| 400 | T | 80.7 | Confident | 89 | Confident | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -78.3 | -39.7 | 170.9 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | T34 R383 F385 Q396 D397 A398 | T34-T400 VanDerWaalsContact OG1-CG2 3.26Å; T34-T400 WeakPolarHBondContact OG1-CG2 3.37Å; R383-T400 WeakPolarHBondContact CB-O 3.41Å; F385-T400 HydrophobicContact CD2-CG2 4.41Å; Q396-T400 PolarHBondContact O-N 2.98Å; Q396-T400 PolarHBondContact O-OG1 3.08Å; D397-T400 PolarHBondContact O-N 3.04Å; A398-T400 VanDerWaalsContact C-N 3.29Å; A398-T400 PolarHBondContact O-N 2.92Å |
| 401 | M | 86.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 171.3 | -79.7 | -177.4 | -88.6 | 0 | 0 | 112.3 | L344 R383 F385 D397 A398 F521 | L344-M401 HydrophobicContact CD1-CG 4.4Å; L344-M401 HydrophobicContact CD1-SD 3.42Å; L344-M401 WeakPolarHBondContact CD1-SD 3.31Å; L344-M401 HydrophobicContact CD2-CB 4.16Å; L344-M401 HydrophobicContact CD2-CG 3.82Å; L344-M401 HydrophobicContact CD2-SD 3.88Å; L344-M401 HydrophobicContact CG-SD 4.32Å; R383-M401 PolarHBondContact N-O 3.4Å; F385-M401 HydrophobicContact CB-CB 4.34Å; F385-M401 HydrophobicContact CB-CG 3.51Å; F385-M401 HydrophobicContact CD1-CE 4.38Å; F385-M401 HydrophobicContact CD1-CG 3.26Å; F385-M401 HydrophobicContact CD1-SD 3.6Å; F385-M401 HydrophobicContact CD2-CG 3.86Å; F385-M401 HydrophobicContact CE1-CE 3.98Å; F385-M401 HydrophobicContact CE1-CG 3.85Å; F385-M401 HydrophobicContact CE1-SD 3.67Å; F385-M401 HydrophobicContact CE2-CG 4.38Å; F385-M401 HydrophobicContact CG-CB 4.46Å; F385-M401 HydrophobicContact CG-CG 3.25Å; F385-M401 HydrophobicContact CG-SD 4.21Å; F385-M401 HydrophobicContact CZ-CE 4.06Å; F385-M401 HydrophobicContact CZ-CG 4.37Å; F385-M401 HydrophobicContact CZ-SD 4.32Å; D397-M401 VanDerWaalsContact C-CE 3.48Å; D397-M401 HydrophobicContact CB-CE 3.88Å; D397-M401 WeakPolarHBondContact O-CB 3.45Å; D397-M401 WeakPolarHBondContact O-CE 3.49Å; D397-M401 VanDerWaalsContact O-CG 3.28Å; D397-M401 WeakPolarHBondContact O-CG 3.27Å; D397-M401 PolarHBondContact O-N 3.16Å; A398-M401 PolarHBondContact O-N 3.14Å; M401-F521 HydrophobicContact CE-CD2 4.25Å; M401-F521 HydrophobicContact CE-CE2 3.4Å; M401-F521 VanDerWaalsContact CE-CE2 3.4Å; M401-F521 HydrophobicContact CE-CZ 3.74Å; M401-F521 HydrophobicContact SD-CE2 3.85Å; M401-F521 HydrophobicContact SD-CZ 3.66Å |
| 402 | I | 87.2 | Confident | 90 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -141.9 | 91.3 | -171.8 | -49.1 | 168.2 | 0 | 0 | 0 | 109.3 | I348 T381 L382 A398 Y399 F404 E513 S514 | I348-I402 HydrophobicContact CB-CD1 4.44Å; I348-I402 HydrophobicContact CD1-CD1 3.52Å; I348-I402 HydrophobicContact CG1-CD1 3.68Å; I348-I402 HydrophobicContact CG2-CD1 3.86Å; T381-I402 HydrophobicContact CG2-CG1 4.46Å; T381-I402 HydrophobicContact CG2-CG2 3.77Å; L382-I402 HydrophobicContact CD2-CG1 4.33Å; A398-I402 PolarHBondContact O-N 3.28Å; Y399-I402 CarbonylContact O-C 3.59Å; I402-F404 VanDerWaalsContact C-N 3.26Å; I402-F404 PolarHBondContact O-N 2.73Å; I402-E513 HydrophobicContact CG2-CB 3.48Å; I402-E513 VanDerWaalsContact CG2-CB 3.48Å; I402-S514 WeakPolarHBondContact O-CB 3.14Å; I402-S514 PolarHBondContact O-OG 2.77Å | ||
| 403 | P | 82.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | trans | -80.2 | -6.8 | 179.6 | 32.6 | -37.4 | 0 | 0 | 0 | 113.6 | I84 R383 Y399 | I84-P403 HydrophobicContact CD1-CB 3.69Å; I84-P403 HydrophobicContact CG1-CB 4.3Å; R383-P403 HydrophobicContact CG-CG 3.73Å; Y399-P403 VanDerWaalsContact O-CA 3.31Å; Y399-P403 WeakPolarHBondContact O-CA 3.44Å | ||
| 404 | F | 81.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 13% | 0.127 | 11% | 0.107 | C | C | . | . | trans | -89.2 | 132.9 | -165.3 | -60.6 | -75.8 | 0 | 0 | 0 | 113.9 | G380 T381 I402 E513 S514 | G380-F404 VanDerWaalsContact O-CE2 3.26Å; G380-F404 WeakPolarHBondContact O-CE2 3.34Å; T381-F404 WeakPolarHBondContact O-CD2 3.45Å; T381-F404 WeakPolarHBondContact O-CE2 3.32Å; I402-F404 VanDerWaalsContact C-N 3.26Å; I402-F404 PolarHBondContact O-N 2.73Å; F404-E513 WeakPolarHBondContact CB-OE2 3.3Å; F404-S514 PolarHBondContact O-N 3.09Å; F404-S514 PolarHBondContact O-OG 2.92Å | ||
| 405 | T | 84.7 | Confident | 90.9 | Very high | 96 Ų | 96 | 20 Ų | 20 | 59% | 0.589 | 10% | 0.1 | S | C | * | . | trans | -94.5 | 14.9 | -179.2 | 52 | 0 | 0 | 0 | 0 | 113.9 | T512 | T405-T512 WeakPolarHBondContact O-CG2 3.37Š| ||
| 406 | S | 89.9 | Confident | 91.4 | Very high | 27 Ų | 27 | 22.6 Ų | 22.6 | 19% | 0.189 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 142.4 | 174.1 | -159 | 0 | 0 | 0 | 0 | 110.1 | Y489 T512 E513 | S406-Y489 WeakPolarHBondContact OG-CB 3.01Å; S406-Y489 PolarHBondContact OG-N 3.13Å; S406-T512 CarbonylContact O-C 3.55Å; S406-T512 VanDerWaalsContact O-CA 3.29Å; S406-T512 WeakPolarHBondContact O-CA 3.39Å; S406-E513 WeakPolarHBondContact O-CG 3.18Å; S406-E513 PolarHBondContact O-N 3.03Å |
| 407 | E | 95.6 | Very high | 92 | Very high | 46 Ų | 46 | 23.5 Ų | 23.5 | 22% | 0.215 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 139.2 | -178.7 | -157.6 | -155 | 141.3 | 0 | 0 | 111.2 | K487 A488 H508 S509 G510 V511 | E407-K487 CarbonylContact O-C 3.6Å; E407-K487 VanDerWaalsContact O-CA 3.28Å; E407-K487 WeakPolarHBondContact O-CA 3.32Å; E407-A488 PolarHBondContact O-N 3.28Å; E407-H508 VanDerWaalsContact OE1-C 3.23Å; E407-H508 WeakPolarHBondContact OE1-CA 3.33Å; E407-H508 WeakPolarHBondContact OE1-CB 3.26Å; E407-H508 IonicContact OE1-CG 2.8Å; E407-H508 IonicContact OE1-ND1 3.76Å; E407-H508 IonicContact OE2-CE1 3.14Å; E407-H508 IonicContact OE2-CG 2.79Å; E407-H508 IonicContact OE2-ND1 3.83Å; E407-H508 PolarHBondContact OE2-ND1 3.44Å; E407-S509 PolarHBondContact OE1-N 2.91Å; E407-G510 PolarHBondContact OE1-N 3.39Å; E407-V511 WeakPolarHBondContact CA-O 3.28Å; E407-V511 WeakPolarHBondContact CG-O 3.42Å |
| 408 | I | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.8 | 166.8 | -57.9 | -57.9 | 0 | 0 | 0 | 109.5 | L355 F356 I377 T486 K487 S509 V511 E513 C516 | L355-I408 HydrophobicContact CD1-CB 3.83Å; L355-I408 HydrophobicContact CD1-CG1 4.09Å; L355-I408 HydrophobicContact CD1-CG2 3.92Å; F356-I408 HydrophobicContact CE2-CG2 3.77Å; F356-I408 HydrophobicContact CZ-CG2 4.11Å; I377-I408 HydrophobicContact CD1-CD1 3.98Å; I408-T486 CarbonylContact C-O 3.37Å; I408-T486 WeakPolarHBondContact CA-O 3.44Å; I408-K487 HydrophobicContact CD1-CB 4.25Å; I408-S509 WeakPolarHBondContact O-CB 3.17Å; I408-S509 PolarHBondContact O-N 2.84Å; I408-S509 PolarHBondContact O-OG 3.35Å; I408-V511 PolarHBondContact N-O 2.93Å; I408-E513 HydrophobicContact CD1-CG 4.09Å; I408-C516 HydrophobicContact CG1-CB 4.04Å |
| 409 | V | 98.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.6 | -176.6 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | I411 A485 T486 A488 L505 | V409-I411 HydrophobicContact CG2-CG2 4.09Å; V409-A485 WeakPolarHBondContact O-CA 3.44Å; V409-T486 HydrophobicContact CG2-CG2 4.25Å; V409-T486 PolarHBondContact N-O 3.45Å; V409-T486 PolarHBondContact O-N 3.41Å; V409-T486 VanDerWaalsContact O-O 3.1Å; V409-A488 HydrophobicContact CG1-CB 4.33Å; V409-L505 HydrophobicContact CB-CD1 3.76Å; V409-L505 HydrophobicContact CG1-CD1 4.13Å; V409-L505 HydrophobicContact CG2-CD1 4.35Å |
| 410 | L | 98.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.1 | 171.9 | -174.8 | 66.5 | 0 | 0 | 0 | 109.4 | F356 T371 C372 D483 L506 K507 | F356-L410 HydrophobicContact CD1-CB 3.93Å; F356-L410 HydrophobicContact CD1-CD2 4.25Å; F356-L410 HydrophobicContact CD2-CB 4.32Å; F356-L410 HydrophobicContact CD2-CD1 4.26Å; F356-L410 HydrophobicContact CE1-CB 3.68Å; F356-L410 HydrophobicContact CE2-CB 4.07Å; F356-L410 HydrophobicContact CG-CB 4.25Å; F356-L410 HydrophobicContact CG-CD1 4.38Å; F356-L410 HydrophobicContact CG-CD2 4.37Å; F356-L410 HydrophobicContact CZ-CB 3.75Å; T371-L410 HydrophobicContact CG2-CD2 4.14Å; C372-L410 HydrophobicContact CB-CD1 3.7Å; C372-L410 VanDerWaalsContact SG-CD1 3.52Å; L410-D483 HydrophobicContact CD1-CB 4.2Å; L410-L506 HydrophobicContact CD2-CB 4.35Å; L410-L506 HydrophobicContact CD2-CD1 4.16Å; L410-L506 HydrophobicContact CG-CB 4.32Å; L410-L506 HydrophobicContact CG-CD1 4.26Å; L410-L506 WeakPolarHBondContact O-CB 3.46Å; L410-L506 PolarHBondContact O-N 3.45Å; L410-K507 HydrophobicContact CB-CB 4.2Å; L410-K507 PolarHBondContact N-O 2.85Å; L410-K507 PolarHBondContact O-N 3.46Å |
| 411 | I | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.1 | 178.8 | 67.4 | 172.7 | 0 | 0 | 0 | 110.9 | V409 D483 V484 T486 Y491 A503 L505 | V409-I411 HydrophobicContact CG2-CG2 4.09Å; I411-D483 WeakPolarHBondContact O-CA 3.22Å; I411-V484 HydrophobicContact CG1-CB 4.25Å; I411-V484 WeakPolarHBondContact CG1-O 3.44Å; I411-V484 PolarHBondContact N-O 2.84Å; I411-V484 PolarHBondContact O-N 3.2Å; I411-T486 HydrophobicContact CD1-CG2 3.73Å; I411-T486 HydrophobicContact CG1-CG2 4.15Å; I411-T486 HydrophobicContact CG2-CG2 4.46Å; I411-Y491 HydrophobicContact CB-CD2 4.48Å; I411-Y491 HydrophobicContact CD1-CD2 4.47Å; I411-Y491 HydrophobicContact CG2-CD2 3.65Å; I411-Y491 HydrophobicContact CG2-CE2 4.24Å; I411-Y491 HydrophobicContact CG2-CG 3.88Å; I411-A503 HydrophobicContact CB-CB 3.92Å; I411-A503 HydrophobicContact CD1-CB 3.83Å; I411-A503 HydrophobicContact CG1-CB 4.18Å; I411-L505 HydrophobicContact CG2-CD1 4.19Å |
| 412 | R | 98.3 | Very high | 95.3 | Very high | 79 Ų | 79 | 26.9 Ų | 26.9 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112 | 172.9 | 175.8 | 164.4 | -72.3 | 162.6 | 3.7 | 109.9 | M481 Y482 D483 A503 T504 L506 | R412-M481 HydrophobicContact CG-CB 4.13Å; R412-M481 HydrophobicContact CG-CE 3.77Å; R412-Y482 WeakPolarHBondContact CA-O 3.46Å; R412-D483 IonicContact CZ-OD1 3.71Å; R412-D483 IonicContact CZ-OD2 3.06Å; R412-D483 IonicContact NE-OD1 3.65Å; R412-D483 PolarHBondContact NE-OD1 3.23Å; R412-D483 IonicContact NH2-OD1 3.25Å; R412-D483 PolarHBondContact NH2-OD1 3.08Å; R412-D483 IonicContact NH2-OD2 3.38Å; R412-D483 PolarHBondContact NH2-OD2 3.36Å; R412-A503 CarbonylContact O-C 3.58Å; R412-A503 WeakPolarHBondContact O-CA 3.47Å; R412-T504 PolarHBondContact N-O 2.81Å; R412-T504 PolarHBondContact O-N 3.32Å; R412-L506 HydrophobicContact CB-CD1 3.93Å; R412-L506 HydrophobicContact CB-CD2 3.83Å; R412-L506 HydrophobicContact CB-CG 3.8Å |
| 413 | I | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.6 | -171.3 | -165.5 | 168.3 | 0 | 0 | 0 | 111.6 | H417 L418 M481 Y482 V484 L500 A503 | I413-H417 HydrophobicContact CD1-CB 3.76Å; I413-H417 HydrophobicContact CG1-CB 3.8Å; I413-L418 HydrophobicContact CG2-CB 4.17Å; I413-M481 WeakPolarHBondContact O-CA 3.38Å; I413-Y482 PolarHBondContact N-O 2.89Å; I413-Y482 PolarHBondContact O-N 2.72Å; I413-V484 HydrophobicContact CG2-CG2 3.98Å; I413-L500 HydrophobicContact CD1-CD2 3.41Å; I413-L500 VanDerWaalsContact CD1-CD2 3.41Å; I413-A503 HydrophobicContact CB-CB 3.77Å; I413-A503 HydrophobicContact CD1-CB 4.2Å; I413-A503 HydrophobicContact CG1-CB 3.98Å |
| 414 | Q | 98.5 | Very high | 96.6 | Very high | 43 Ų | 43 | 28.7 Ų | 28.7 | 20% | 0.201 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 140.8 | 174.1 | -169.1 | 168.4 | 48 | 0 | 0 | 110.6 | K416 H417 L418 L478 D479 A480 M481 | Q414-K416 HydrophobicContact CG-CG 4.39Å; Q414-K416 PolarHBondContact O-N 3.05Å; Q414-K416 VanDerWaalsContact O-N 3.09Å; Q414-H417 PolarHBondContact O-N 3.25Å; Q414-L418 PolarHBondContact O-N 3.08Å; Q414-L478 VanDerWaalsContact CG-O 3.3Å; Q414-L478 WeakPolarHBondContact CG-O 3.29Å; Q414-D479 PolarHBondContact NE2-O 3.11Å; Q414-A480 CarbonylContact C-O 3.55Å; Q414-A480 WeakPolarHBondContact CA-O 3.38Å; Q414-M481 HydrophobicContact CB-CE 4.3Å; Q414-M481 HydrophobicContact CB-SD 3.63Å; Q414-M481 HydrophobicContact CG-SD 4.03Å |
| 415 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.1 | -31.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L418 L419 D477 A480 | G415-L418 PolarHBondContact O-N 3.11Å; G415-L419 PolarHBondContact O-N 3.22Å; G415-D477 WeakPolarHBondContact CA-O 3.08Å; G415-A480 PolarHBondContact N-O 3.48Å |
| 416 | K | 98.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 23 Ų | 23 | 35% | 0.352 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | 172.3 | 78.3 | -166.8 | -170.1 | -151.9 | 0 | 113.4 | Q414 L419 E420 L478 | Q414-K416 HydrophobicContact CG-CG 4.39Å; Q414-K416 PolarHBondContact O-N 3.05Å; Q414-K416 VanDerWaalsContact O-N 3.09Å; K416-L419 WeakPolarHBondContact O-CB 3.3Å; K416-L419 PolarHBondContact O-N 3.31Å; K416-E420 WeakPolarHBondContact O-CG 3.46Å; K416-E420 PolarHBondContact O-N 3.49Å; K416-L478 HydrophobicContact CB-CB 4.3Å; K416-L478 PolarHBondContact N-O 3.02Å |
| 417 | H | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 26.8 Ų | 26.8 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -76.5 | -28.1 | -179.9 | -64 | -52.4 | 0 | 0 | 0 | 111.7 | I413 Q414 E420 A421 M499 | I413-H417 HydrophobicContact CD1-CB 3.76Å; I413-H417 HydrophobicContact CG1-CB 3.8Å; Q414-H417 PolarHBondContact O-N 3.25Å; H417-E420 IonicContact CE1-OE2 3.19Å; H417-E420 IonicContact CG-OE2 2.89Å; H417-E420 IonicContact ND1-OE1 2.68Å; H417-E420 IonicContact ND1-OE2 2.62Å; H417-E420 PolarHBondContact ND1-OE2 2.87Å; H417-E420 PolarHBondContact O-N 3.26Å; H417-A421 PolarHBondContact O-N 2.77Å; H417-M499 WeakPolarHBondContact O-CG 3.47Å |
| 418 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 167.9 | -174.6 | 56.4 | 0 | 0 | 0 | 111 | I376 I413 Q414 G415 A421 F422 L463 Y482 V484 | I376-L418 HydrophobicContact CD1-CD1 4.1Å; I376-L418 HydrophobicContact CG2-CD1 4.48Å; I413-L418 HydrophobicContact CG2-CB 4.17Å; Q414-L418 PolarHBondContact O-N 3.08Å; G415-L418 PolarHBondContact O-N 3.11Å; L418-A421 WeakPolarHBondContact O-CB 3.2Å; L418-A421 PolarHBondContact O-N 2.73Å; L418-F422 HydrophobicContact CD1-CD2 4.24Å; L418-F422 HydrophobicContact CD1-CE2 3.95Å; L418-F422 HydrophobicContact CG-CD2 4.33Å; L418-F422 HydrophobicContact CG-CE2 4.21Å; L418-F422 WeakPolarHBondContact O-CD2 3.23Å; L418-F422 PolarHBondContact O-N 2.86Å; L418-F422 VanDerWaalsContact O-N 3.1Å; L418-L463 HydrophobicContact CD2-CD1 3.65Å; L418-L463 HydrophobicContact CD2-CD2 4.28Å; L418-Y482 HydrophobicContact CD2-CD2 4.43Å; L418-Y482 HydrophobicContact CD2-CG 4.36Å; L418-V484 HydrophobicContact CD1-CG2 4.43Å; L418-V484 HydrophobicContact CD2-CG2 4.2Å |
| 419 | L | 98.8 | Very high | 97.4 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 24% | 0.236 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 172.9 | 178.8 | 62.3 | 0 | 0 | 0 | 112.2 | G415 K416 A421 F422 E423 V458 L461 L478 | G415-L419 PolarHBondContact O-N 3.22Å; K416-L419 WeakPolarHBondContact O-CB 3.3Å; K416-L419 PolarHBondContact O-N 3.31Å; L419-A421 VanDerWaalsContact C-N 3.27Å; L419-A421 PolarHBondContact O-N 3.35Å; L419-F422 PolarHBondContact O-N 2.97Å; L419-E423 PolarHBondContact O-N 2.76Å; L419-V458 HydrophobicContact CD1-CB 3.79Å; L419-V458 HydrophobicContact CD1-CG1 3.57Å; L419-V458 HydrophobicContact CD1-CG2 4.08Å; L419-L461 HydrophobicContact CD1-CD2 4.37Å; L419-L478 HydrophobicContact CB-CD2 4.42Å; L419-L478 HydrophobicContact CD2-CD2 3.71Å |
| 420 | E | 98.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 29.1 Ų | 29.1 | 39% | 0.393 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.9 | -37.4 | 173.1 | -72 | 160.3 | -162.6 | 0 | 0 | 112.2 | K416 H417 E423 H424 M499 | K416-E420 WeakPolarHBondContact O-CG 3.46Å; K416-E420 PolarHBondContact O-N 3.49Å; H417-E420 IonicContact CE1-OE2 3.19Å; H417-E420 IonicContact CG-OE2 2.89Å; H417-E420 IonicContact ND1-OE1 2.68Å; H417-E420 IonicContact ND1-OE2 2.62Å; H417-E420 PolarHBondContact ND1-OE2 2.87Å; H417-E420 PolarHBondContact O-N 3.26Å; E420-E423 PolarHBondContact O-N 2.74Å; E420-H424 WeakPolarHBondContact O-CB 3.33Å; E420-H424 PolarHBondContact O-N 3.39Å; E420-M499 HydrophobicContact CB-CB 4.08Å; E420-M499 HydrophobicContact CB-CG 3.85Å |
| 421 | A | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | H417 L418 L419 E423 H424 S425 Y497 M499 L500 | H417-A421 PolarHBondContact O-N 2.77Å; L418-A421 WeakPolarHBondContact O-CB 3.2Å; L418-A421 PolarHBondContact O-N 2.73Å; L419-A421 VanDerWaalsContact C-N 3.27Å; L419-A421 PolarHBondContact O-N 3.35Å; A421-E423 VanDerWaalsContact C-N 3.32Å; A421-E423 PolarHBondContact O-N 3.39Å; A421-H424 PolarHBondContact O-N 3.38Å; A421-S425 PolarHBondContact O-N 3.2Å; A421-Y497 HydrophobicContact CB-CD1 3.91Å; A421-Y497 HydrophobicContact CB-CE1 3.8Å; A421-Y497 WeakPolarHBondContact O-CE1 3.36Å; A421-M499 HydrophobicContact CB-CG 4.01Å; A421-M499 HydrophobicContact CB-SD 3.95Å; A421-L500 HydrophobicContact CB-CD2 3.84Å |
| 422 | F | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -30.8 | 173.6 | -83.5 | -85.3 | 0 | 0 | 0 | 113.1 | I376 L418 L419 S425 L439 V441 A444 V446 Y448 V458 L461 | I376-F422 HydrophobicContact CG2-CE2 4.15Å; I376-F422 HydrophobicContact CG2-CZ 4.11Å; L418-F422 HydrophobicContact CD1-CD2 4.24Å; L418-F422 HydrophobicContact CD1-CE2 3.95Å; L418-F422 HydrophobicContact CG-CD2 4.33Å; L418-F422 HydrophobicContact CG-CE2 4.21Å; L418-F422 WeakPolarHBondContact O-CD2 3.23Å; L418-F422 PolarHBondContact O-N 2.86Å; L418-F422 VanDerWaalsContact O-N 3.1Å; L419-F422 PolarHBondContact O-N 2.97Å; F422-S425 WeakPolarHBondContact O-CB 3.43Å; F422-L439 HydrophobicContact CD1-CD1 4.43Å; F422-V441 HydrophobicContact CE1-CG1 3.78Å; F422-V441 HydrophobicContact CZ-CG1 3.79Å; F422-A444 HydrophobicContact CZ-CB 3.78Å; F422-V446 HydrophobicContact CD1-CB 3.92Å; F422-V446 HydrophobicContact CD1-CG1 4.17Å; F422-V446 HydrophobicContact CD1-CG2 3.7Å; F422-V446 HydrophobicContact CE1-CB 3.89Å; F422-V446 HydrophobicContact CE1-CG1 4.05Å; F422-V446 HydrophobicContact CE1-CG2 4.21Å; F422-V446 HydrophobicContact CG-CG2 4.43Å; F422-Y448 WeakPolarHBondContact O-CE1 3.25Å; F422-Y448 PolarHBondContact O-OH 3.48Å; F422-V458 HydrophobicContact CB-CG2 3.78Å; F422-L461 HydrophobicContact CB-CD2 4.42Å; F422-L461 HydrophobicContact CD1-CD1 4.1Å; F422-L461 HydrophobicContact CD2-CD1 3.86Å; F422-L461 HydrophobicContact CD2-CD2 3.44Å; F422-L461 VanDerWaalsContact CD2-CD2 3.44Å; F422-L461 HydrophobicContact CD2-CG 4.31Å; F422-L461 HydrophobicContact CE1-CD1 3.88Å; F422-L461 HydrophobicContact CE2-CD1 3.66Å; F422-L461 HydrophobicContact CE2-CD2 3.84Å; F422-L461 HydrophobicContact CE2-CG 4.41Å; F422-L461 HydrophobicContact CG-CD1 4.09Å; F422-L461 HydrophobicContact CG-CD2 4Å; F422-L461 HydrophobicContact CZ-CD1 3.67Å |
| 423 | E | 98.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.4 | -44.3 | 170.7 | -77.2 | -68.9 | 170.4 | 0 | 0 | 112.1 | L419 E420 A421 S425 V426 K427 G455 Q456 R457 V458 | L419-E423 PolarHBondContact O-N 2.76Å; E420-E423 PolarHBondContact O-N 2.74Å; A421-E423 VanDerWaalsContact C-N 3.32Å; A421-E423 PolarHBondContact O-N 3.39Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.93Å; E423-V426 CarbonylContact O-C 3.6Å; E423-V426 WeakPolarHBondContact O-CG2 3.36Å; E423-V426 PolarHBondContact O-N 2.88Å; E423-V426 VanDerWaalsContact O-N 3.1Å; E423-K427 PolarHBondContact O-N 2.74Å; E423-K427 VanDerWaalsContact O-N 3.1Å; E423-G455 VanDerWaalsContact OE2-CA 3.24Å; E423-G455 WeakPolarHBondContact OE2-CA 3.26Å; E423-G455 PolarHBondContact OE2-N 3.05Å; E423-Q456 VanDerWaalsContact CD-N 3.34Å; E423-Q456 VanDerWaalsContact OE1-CA 3.25Å; E423-Q456 WeakPolarHBondContact OE1-CA 3.18Å; E423-Q456 PolarHBondContact OE1-N 3.24Å; E423-Q456 PolarHBondContact OE2-N 2.82Å; E423-R457 VanDerWaalsContact CD-N 3.26Å; E423-R457 PolarHBondContact OE1-N 2.93Å; E423-R457 PolarHBondContact OE2-N 3.33Å; E423-V458 HydrophobicContact CG-CB 4.44Å; E423-V458 HydrophobicContact CG-CG2 3.9Å; E423-V458 WeakPolarHBondContact OE1-CB 3.37Å; E423-V458 PolarHBondContact OE1-N 2.65Å |
| 424 | H | 98.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 9% | 0.088 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 178.1 | 179.7 | 67.6 | 0 | 0 | 0 | 112.7 | E420 A421 V426 K427 D495 G496 Y497 M499 | E420-H424 WeakPolarHBondContact O-CB 3.33Å; E420-H424 PolarHBondContact O-N 3.39Å; A421-H424 PolarHBondContact O-N 3.38Å; H424-V426 PolarHBondContact O-N 3.1Å; H424-K427 WeakPolarHBondContact O-CB 3.49Å; H424-K427 PolarHBondContact O-N 2.75Å; H424-D495 PolarHBondContact NE2-O 2.83Å; H424-G496 VanDerWaalsContact NE2-C 3.29Å; H424-G496 PolarHBondContact NE2-O 3.26Å; H424-Y497 AromaticContact CD2-CD1 3.98Å; H424-Y497 AromaticContact CD2-CD2 3.81Å; H424-Y497 AromaticContact CD2-CE1 3.83Å; H424-Y497 AromaticContact CD2-CE2 3.7Å; H424-Y497 AromaticContact CD2-CG 3.95Å; H424-Y497 AromaticContact CD2-CZ 3.68Å; H424-M499 HydrophobicContact CB-CE 3.61Å |
| 425 | S | 97.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -24 | 170.4 | 178.8 | 0 | 0 | 0 | 0 | 114.4 | A421 F422 E423 F438 L439 Y448 Y497 | A421-S425 PolarHBondContact O-N 3.2Å; F422-S425 WeakPolarHBondContact O-CB 3.43Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.93Å; S425-F438 WeakPolarHBondContact O-CD2 3.42Å; S425-F438 WeakPolarHBondContact OG-CA 3.48Å; S425-L439 PolarHBondContact OG-N 3.31Å; S425-Y448 PolarHBondContact OG-OH 3.4Å; S425-Y497 VanDerWaalsContact CA-OH 3.24Å; S425-Y497 WeakPolarHBondContact CA-OH 3.33Å; S425-Y497 WeakPolarHBondContact CB-OH 3.46Å; S425-Y497 PolarHBondContact N-OH 3.04Å |
| 426 | V | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 13.7 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | E423 H424 G428 F429 F438 Y448 R457 | E423-V426 CarbonylContact O-C 3.6Å; E423-V426 WeakPolarHBondContact O-CG2 3.36Å; E423-V426 PolarHBondContact O-N 2.88Å; E423-V426 VanDerWaalsContact O-N 3.1Å; H424-V426 PolarHBondContact O-N 3.1Å; V426-G428 PolarHBondContact O-N 2.66Å; V426-F429 HydrophobicContact CB-CB 4.13Å; V426-F429 HydrophobicContact CB-CD2 4.45Å; V426-F429 HydrophobicContact CG1-CD2 4.08Å; V426-F429 WeakPolarHBondContact O-CB 3.49Å; V426-F429 PolarHBondContact O-N 3.34Å; V426-F438 HydrophobicContact CG1-CD2 4.09Å; V426-F438 HydrophobicContact CG1-CE2 3.78Å; V426-Y448 HydrophobicContact CB-CD1 4.41Å; V426-Y448 HydrophobicContact CB-CE1 4.32Å; V426-Y448 HydrophobicContact CG1-CD1 3.86Å; V426-Y448 HydrophobicContact CG1-CD2 3.93Å; V426-Y448 HydrophobicContact CG1-CE1 3.66Å; V426-Y448 HydrophobicContact CG1-CE2 3.72Å; V426-Y448 HydrophobicContact CG1-CG 3.99Å; V426-Y448 HydrophobicContact CG2-CD1 3.73Å; V426-Y448 HydrophobicContact CG2-CE1 3.66Å; V426-R457 HydrophobicContact CG2-CB 3.58Å; V426-R457 HydrophobicContact CG2-CG 4.36Å; V426-R457 WeakPolarHBondContact O-CD 3.48Å; V426-R457 PolarHBondContact O-NH1 2.78Å |
| 427 | K | 95.2 | Very high | 90.6 | Very high | 107 Ų | 107 | 27.4 Ų | 27.4 | 47% | 0.465 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 120.3 | 172.8 | 177.5 | -170.4 | 174.7 | -167.8 | 0 | 110.2 | E423 H424 F429 K437 D454 | E423-K427 PolarHBondContact O-N 2.74Å; E423-K427 VanDerWaalsContact O-N 3.1Å; H424-K427 WeakPolarHBondContact O-CB 3.49Å; H424-K427 PolarHBondContact O-N 2.75Å; K427-F429 PolarHBondContact O-N 3.07Å; K427-K437 WeakPolarHBondContact O-CE 3.4Å; K427-K437 PolarHBondContact O-NZ 2.92Å; K427-D454 WeakPolarHBondContact CA-OD1 3.47Å; K427-D454 HydrophobicContact CG-CB 4.24Å |
| 428 | G | 89.8 | Confident | 90.5 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 42% | 0.423 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 8.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V426 S430 D454 | V426-G428 PolarHBondContact O-N 2.66Å; G428-S430 PolarHBondContact O-N 3.2Å; G428-D454 VanDerWaalsContact N-CG 3.28Å; G428-D454 PolarHBondContact N-OD1 2.86Å; G428-D454 PolarHBondContact N-OD2 3.43Å |
| 429 | F | 87.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | trans | -49.6 | 126.5 | -177.5 | -177.9 | -79.9 | 0 | 0 | 0 | 113.2 | I339 V426 K427 Y431 F438 I450 F537 | I339-F429 HydrophobicContact CB-CE2 4.28Å; I339-F429 HydrophobicContact CB-CZ 3.99Å; I339-F429 HydrophobicContact CG2-CE2 4.39Å; I339-F429 HydrophobicContact CG2-CZ 4.25Å; V426-F429 HydrophobicContact CB-CB 4.13Å; V426-F429 HydrophobicContact CB-CD2 4.45Å; V426-F429 HydrophobicContact CG1-CD2 4.08Å; V426-F429 WeakPolarHBondContact O-CB 3.49Å; V426-F429 PolarHBondContact O-N 3.34Å; K427-F429 PolarHBondContact O-N 3.07Å; F429-Y431 HydrophobicContact CE1-CD1 4.47Å; F429-Y431 HydrophobicContact CE1-CD2 4.37Å; F429-Y431 HydrophobicContact CE1-CE1 4.11Å; F429-Y431 AromaticContact CE1-CE2 3.98Å; F429-Y431 HydrophobicContact CE1-CE2 3.98Å; F429-Y431 AromaticContact CE1-CZ 3.85Å; F429-Y431 HydrophobicContact CZ-CE1 4.17Å; F429-F438 AromaticContact CD2-CD2 3.92Å; F429-F438 HydrophobicContact CD2-CD2 3.92Å; F429-F438 HydrophobicContact CD2-CE2 4.04Å; F429-F438 AromaticContact CE2-CD2 3.71Å; F429-F438 HydrophobicContact CE2-CD2 3.71Å; F429-F438 AromaticContact CE2-CE2 3.57Å; F429-F438 HydrophobicContact CE2-CE2 3.57Å; F429-I450 HydrophobicContact CD1-CD1 4.05Å; F429-I450 HydrophobicContact CD1-CG2 3.89Å; F429-I450 HydrophobicContact CE1-CD1 3.94Å; F429-I450 HydrophobicContact CE1-CG2 4.3Å; F429-I450 HydrophobicContact CG-CG2 4.32Å; F429-F537 HydrophobicContact CE1-CE1 4.24Å; F429-F537 HydrophobicContact CE1-CZ 4.49Å; F429-F537 HydrophobicContact CE2-CE1 4.11Å; F429-F537 AromaticContact CE2-CZ 3.87Å; F429-F537 HydrophobicContact CE2-CZ 3.87Å; F429-F537 AromaticContact CZ-CE1 3.82Å; F429-F537 HydrophobicContact CZ-CE1 3.82Å; F429-F537 AromaticContact CZ-CZ 3.66Å; F429-F537 HydrophobicContact CZ-CZ 3.66Å | ||
| 430 | S | 78.5 | Confident | 90.4 | Very high | 35 Ų | 35 | 24.2 Ų | 24.2 | 25% | 0.245 | 13% | 0.131 | C | C | . | . | trans | -140.4 | 163.5 | 164.5 | 76.1 | 0 | 0 | 0 | 0 | 109.5 | G428 E432 A433 | G428-S430 PolarHBondContact O-N 3.2Å; S430-E432 VanDerWaalsContact C-N 3.28Å; S430-E432 VanDerWaalsContact CB-OE2 3.31Å; S430-E432 WeakPolarHBondContact CB-OE2 3.37Å; S430-E432 PolarHBondContact OG-OE2 2.91Å; S430-A433 WeakPolarHBondContact OG-CB 3.39Å; S430-A433 PolarHBondContact OG-N 2.99Å | ||
| 431 | Y | 74.9 | Confident | 90.4 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 6% | 0.059 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -21.3 | -179.1 | -70 | -81.9 | 0 | 0 | 0 | 112 | I339 F429 R434 I450 Y542 | I339-Y431 HydrophobicContact CB-CD1 4.19Å; I339-Y431 HydrophobicContact CB-CE1 4.45Å; I339-Y431 HydrophobicContact CD1-CD1 3.73Å; I339-Y431 HydrophobicContact CD1-CE1 4.29Å; I339-Y431 HydrophobicContact CG2-CD1 4.4Å; F429-Y431 HydrophobicContact CE1-CD1 4.47Å; F429-Y431 HydrophobicContact CE1-CD2 4.37Å; F429-Y431 HydrophobicContact CE1-CE1 4.11Å; F429-Y431 AromaticContact CE1-CE2 3.98Å; F429-Y431 HydrophobicContact CE1-CE2 3.98Å; F429-Y431 AromaticContact CE1-CZ 3.85Å; F429-Y431 HydrophobicContact CZ-CE1 4.17Å; Y431-R434 WeakPolarHBondContact O-CG 3.41Å; Y431-R434 PolarHBondContact O-NE 3.35Å; Y431-I450 HydrophobicContact CE2-CD1 3.87Å; Y431-Y542 HydrophobicContact CD1-CD1 4.17Å; Y431-Y542 AromaticContact CD1-CE1 3.87Å; Y431-Y542 HydrophobicContact CD1-CE1 3.87Å; Y431-Y542 AromaticContact CD2-CD1 3.88Å; Y431-Y542 HydrophobicContact CD2-CD1 3.88Å; Y431-Y542 AromaticContact CD2-CD2 3.53Å; Y431-Y542 HydrophobicContact CD2-CD2 3.53Å; Y431-Y542 AromaticContact CD2-CE1 3.99Å; Y431-Y542 HydrophobicContact CD2-CE1 3.99Å; Y431-Y542 AromaticContact CD2-CE2 3.65Å; Y431-Y542 HydrophobicContact CD2-CE2 3.65Å; Y431-Y542 AromaticContact CD2-CG 3.64Å; Y431-Y542 HydrophobicContact CD2-CG 3.64Å; Y431-Y542 AromaticContact CD2-CZ 3.89Å; Y431-Y542 AromaticContact CE1-CD1 3.86Å; Y431-Y542 HydrophobicContact CE1-CD1 3.86Å; Y431-Y542 AromaticContact CE1-CE1 3.98Å; Y431-Y542 HydrophobicContact CE1-CE1 3.98Å; Y431-Y542 HydrophobicContact CE1-CG 4.46Å; Y431-Y542 VanDerWaalsContact CE2-CB 3.48Å; Y431-Y542 AromaticContact CE2-CD1 3.54Å; Y431-Y542 HydrophobicContact CE2-CD1 3.54Å; Y431-Y542 AromaticContact CE2-CD2 3.66Å; Y431-Y542 HydrophobicContact CE2-CD2 3.66Å; Y431-Y542 HydrophobicContact CE2-CE1 4.1Å; Y431-Y542 HydrophobicContact CE2-CE2 4.21Å; Y431-Y542 AromaticContact CE2-CG 3.29Å; Y431-Y542 HydrophobicContact CE2-CG 3.29Å; Y431-Y542 HydrophobicContact CG-CD1 4.19Å; Y431-Y542 HydrophobicContact CG-CD2 4.27Å; Y431-Y542 AromaticContact CG-CE1 3.88Å; Y431-Y542 HydrophobicContact CG-CE1 3.88Å; Y431-Y542 AromaticContact CG-CE2 3.97Å; Y431-Y542 HydrophobicContact CG-CE2 3.97Å; Y431-Y542 HydrophobicContact CG-CG 4.37Å; Y431-Y542 AromaticContact CG-CZ 3.77Å; Y431-Y542 AromaticContact CZ-CD1 3.51Å; Y431-Y542 AromaticContact CZ-CG 3.75Å |
| 432 | E | 70.2 | Confident | 90.4 | Very high | 46 Ų | 46 | 20.8 Ų | 20.8 | 22% | 0.215 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -36.1 | -177.1 | -55.1 | 83.6 | 170 | 0 | 0 | 112.1 | S430 | S430-E432 VanDerWaalsContact C-N 3.28Å; S430-E432 VanDerWaalsContact CB-OE2 3.31Å; S430-E432 WeakPolarHBondContact CB-OE2 3.37Å; S430-E432 PolarHBondContact OG-OE2 2.91Å |
| 433 | A | 72.9 | Confident | 90.4 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -26.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S430 H435 | S430-A433 WeakPolarHBondContact OG-CB 3.39Å; S430-A433 PolarHBondContact OG-N 2.99Å; A433-H435 PolarHBondContact O-N 2.9Å; A433-H435 VanDerWaalsContact O-N 3.16Å |
| 434 | R | 79.3 | Confident | 90.4 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 4% | 0.038 | 11% | 0.113 | C | C | . | . | trans | 42 | 55.6 | 172 | -52.2 | 179.6 | -172.2 | 107 | 2.7 | 112.9 | E13 E245 R338 I339 Y431 | E13-R434 IonicContact OE2-CZ 3.25Å; E13-R434 IonicContact OE2-NE 3.59Å; E13-R434 IonicContact OE2-NH2 2.78Å; E13-R434 PolarHBondContact OE2-NH2 3.09Å; E245-R434 IonicContact OE1-CZ 3.42Å; E245-R434 IonicContact OE1-NH1 3.85Å; E245-R434 PolarHBondContact OE1-NH1 3.06Å; E245-R434 IonicContact OE1-NH2 3.28Å; E245-R434 IonicContact OE2-CZ 3.15Å; E245-R434 IonicContact OE2-NH1 3.65Å; E245-R434 PolarHBondContact OE2-NH1 3.13Å; E245-R434 IonicContact OE2-NH2 3.4Å; E245-R434 PolarHBondContact OE2-NH2 3.02Å; R338-R434 HydrophobicContact CB-CB 4.3Å; R338-R434 WeakPolarHBondContact CD-O 3.44Å; R338-R434 PolarHBondContact NH1-O 3.24Å; I339-R434 HydrophobicContact CG2-CG 4.21Å; Y431-R434 WeakPolarHBondContact O-CG 3.41Å; Y431-R434 PolarHBondContact O-NE 3.35Å | ||
| 435 | H | 86.5 | Confident | 90.4 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 25% | 0.245 | 13% | 0.13 | C | C | . | . | trans | -64.8 | 145.1 | -174 | -65.6 | -80.2 | 0 | 0 | 0 | 113.3 | A433 K437 | A433-H435 PolarHBondContact O-N 2.9Å; A433-H435 VanDerWaalsContact O-N 3.16Å; H435-K437 VanDerWaalsContact C-N 3.31Å; H435-K437 HydrophobicContact CB-CD 4.27Å; H435-K437 HydrophobicContact CB-CG 3.97Å; H435-K437 PolarHBondContact O-N 3.21Å | ||
| 436 | G | 90.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S379 G380 F438 | S379-G436 CarbonylContact C-O 3.45Å; S379-G436 PolarHBondContact N-O 3.38Å; G380-G436 PolarHBondContact N-O 3.26Å; G436-F438 PolarHBondContact O-N 3.18Å |
| 437 | K | 94.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 26 Ų | 26 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14.6 | -176.3 | 66.9 | -159.3 | 179.7 | -156.7 | 0 | 117 | K427 H435 L439 D495 Y497 | K427-K437 WeakPolarHBondContact O-CE 3.4Å; K427-K437 PolarHBondContact O-NZ 2.92Å; H435-K437 VanDerWaalsContact C-N 3.31Å; H435-K437 HydrophobicContact CB-CD 4.27Å; H435-K437 HydrophobicContact CB-CG 3.97Å; H435-K437 PolarHBondContact O-N 3.21Å; K437-L439 PolarHBondContact O-N 3.48Å; K437-D495 VanDerWaalsContact CA-CG 3.44Å; K437-D495 VanDerWaalsContact CA-OD2 3.24Å; K437-D495 WeakPolarHBondContact CA-OD2 3.41Å; K437-D495 HydrophobicContact CB-CB 4.19Å; K437-D495 WeakPolarHBondContact CB-OD1 3.35Å; K437-D495 VanDerWaalsContact N-CG 3.3Å; K437-D495 PolarHBondContact N-OD1 2.93Å; K437-D495 PolarHBondContact N-OD2 2.89Å; K437-Y497 HydrophobicContact CB-CE2 3.78Å; K437-Y497 PolarHBondContact O-OH 3.47Å |
| 438 | F | 96 | Very high | 90.4 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 123.2 | -177.8 | -169.3 | -86.5 | 0 | 0 | 0 | 111.6 | C337 R338 G340 S379 S425 V426 F429 G436 Y448 I535 F537 | C337-F438 WeakPolarHBondContact O-CD1 3.34Å; R338-F438 WeakPolarHBondContact O-CB 3.39Å; R338-F438 WeakPolarHBondContact O-CG 3.37Å; G340-F438 VanDerWaalsContact O-CE1 3.25Å; G340-F438 WeakPolarHBondContact O-CE1 3.49Å; S379-F438 WeakPolarHBondContact CB-O 3.39Å; S379-F438 PolarHBondContact N-O 2.81Å; S379-F438 PolarHBondContact OG-O 2.59Å; S425-F438 WeakPolarHBondContact O-CD2 3.42Å; S425-F438 WeakPolarHBondContact OG-CA 3.48Å; V426-F438 HydrophobicContact CG1-CD2 4.09Å; V426-F438 HydrophobicContact CG1-CE2 3.78Å; F429-F438 AromaticContact CD2-CD2 3.92Å; F429-F438 HydrophobicContact CD2-CD2 3.92Å; F429-F438 HydrophobicContact CD2-CE2 4.04Å; F429-F438 AromaticContact CE2-CD2 3.71Å; F429-F438 HydrophobicContact CE2-CD2 3.71Å; F429-F438 AromaticContact CE2-CE2 3.57Å; F429-F438 HydrophobicContact CE2-CE2 3.57Å; G436-F438 PolarHBondContact O-N 3.18Å; F438-Y448 HydrophobicContact CE2-CE2 4.01Å; F438-Y448 AromaticContact CZ-CE2 3.99Å; F438-Y448 HydrophobicContact CZ-CE2 3.99Å; F438-I535 HydrophobicContact CE1-CD1 4.02Å; F438-I535 HydrophobicContact CE1-CG2 4.17Å; F438-I535 HydrophobicContact CZ-CG2 3.78Å; F438-F537 HydrophobicContact CE2-CE1 4.5Å; F438-F537 AromaticContact CE2-CZ 3.82Å; F438-F537 HydrophobicContact CE2-CZ 3.82Å; F438-F537 HydrophobicContact CZ-CE2 4.41Å; F438-F537 AromaticContact CZ-CZ 3.84Å; F438-F537 HydrophobicContact CZ-CZ 3.84Å |
| 439 | L | 98.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.2 | -173.9 | -64.4 | 175.5 | 0 | 0 | 0 | 112.8 | I376 I377 F422 S425 K437 V441 Y497 I535 | I376-L439 HydrophobicContact CB-CD1 4.09Å; I376-L439 HydrophobicContact CB-CD2 4.11Å; I376-L439 HydrophobicContact CD1-CD1 4.49Å; I376-L439 HydrophobicContact CG2-CD1 4.21Å; I377-L439 CarbonylContact O-C 3.53Å; I377-L439 WeakPolarHBondContact O-CA 3.27Å; F422-L439 HydrophobicContact CD1-CD1 4.43Å; S425-L439 PolarHBondContact OG-N 3.31Å; K437-L439 PolarHBondContact O-N 3.48Å; L439-V441 HydrophobicContact CB-CG1 3.98Å; L439-Y497 HydrophobicContact CD1-CE1 4.2Å; L439-Y497 HydrophobicContact CD2-CE1 4.17Å; L439-Y497 HydrophobicContact CD2-CE2 4.38Å; L439-Y497 WeakPolarHBondContact CD2-OH 3.45Å; L439-Y497 HydrophobicContact CG-CE1 4.39Å; L439-Y497 VanDerWaalsContact CG-OH 3.25Å; L439-Y497 WeakPolarHBondContact CG-OH 3.08Å; L439-I535 WeakPolarHBondContact O-CD1 3.23Å |
| 440 | Q | 98.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 148.8 | 149.9 | -57.4 | -56.2 | -53.7 | 0 | 0 | 108.8 | C337 G340 C342 I377 S379 L382 | C337-Q440 PolarHBondContact O-NE2 3.45Å; G340-Q440 PolarHBondContact O-NE2 2.92Å; C342-Q440 VanDerWaalsContact N-OE1 3.14Å; C342-Q440 VanDerWaalsContact SG-CD 3.55Å; C342-Q440 PolarHBondContact SG-OE1 2.96Å; I377-Q440 PolarHBondContact N-O 3.42Å; I377-Q440 PolarHBondContact O-N 3.25Å; S379-Q440 WeakPolarHBondContact OG-CG 3.43Å; S379-Q440 PolarHBondContact OG-NE2 3.24Å; S379-Q440 VanDerWaalsContact OG-NE2 3.08Å; L382-Q440 HydrophobicContact CD1-CB 4.45Å; L382-Q440 HydrophobicContact CD1-CG 3.65Å |
| 441 | V | 98.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.6 | -168 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | S349 S375 I376 F422 L439 A444 R534 I535 | S349-V441 PolarHBondContact OG-N 3.2Å; S375-V441 CarbonylContact O-C 3.41Å; S375-V441 VanDerWaalsContact O-CA 3.25Å; S375-V441 WeakPolarHBondContact O-CA 3.39Å; I376-V441 HydrophobicContact CG2-CG1 4.15Å; F422-V441 HydrophobicContact CE1-CG1 3.78Å; F422-V441 HydrophobicContact CZ-CG1 3.79Å; L439-V441 HydrophobicContact CB-CG1 3.98Å; V441-A444 HydrophobicContact CB-CB 4.13Å; V441-A444 HydrophobicContact CG2-CB 4.04Å; V441-R534 HydrophobicContact CG2-CB 3.86Å; V441-R534 WeakPolarHBondContact O-CD 3.37Å; V441-R534 PolarHBondContact O-NH1 2.78Å; V441-I535 HydrophobicContact CG2-CD1 4.38Å; V441-I535 HydrophobicContact CG2-CG1 4.08Å |
| 442 | S | 98.4 | Very high | 92 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 8% | 0.077 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.6 | 161 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | S349 D350 I374 S375 A444 | S349-S442 WeakPolarHBondContact O-CB 3.4Å; D350-S442 WeakPolarHBondContact OD1-CB 3.48Å; D350-S442 PolarHBondContact OD1-OG 3.19Å; I374-S442 CarbonylContact C-O 3.21Å; I374-S442 WeakPolarHBondContact CA-O 3.37Å; S375-S442 PolarHBondContact N-O 3.25Å; S375-S442 PolarHBondContact O-N 2.9Å; S442-A444 PolarHBondContact O-N 3.25Å |
| 443 | G | 98.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 63.2 | 4.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A373 L463 L464 Y473 | A373-G443 WeakPolarHBondContact O-CA 3.43Å; G443-L463 CarbonylContact O-C 3.56Å; G443-L464 VanDerWaalsContact O-CB 3.26Å; G443-L464 WeakPolarHBondContact O-CB 3.47Å; G443-L464 PolarHBondContact O-N 3.44Å; G443-Y473 WeakPolarHBondContact O-CE1 3.36Å |
| 444 | A | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F422 V441 S442 L461 M462 L463 | F422-A444 HydrophobicContact CZ-CB 3.78Å; V441-A444 HydrophobicContact CB-CB 4.13Å; V441-A444 HydrophobicContact CG2-CB 4.04Å; S442-A444 PolarHBondContact O-N 3.25Å; A444-L461 HydrophobicContact CB-CD1 4.38Å; A444-M462 CarbonylContact C-O 3.43Å; A444-M462 WeakPolarHBondContact CA-O 3.42Å; A444-L463 HydrophobicContact CB-CD2 3.83Å |
| 445 | R | 98.4 | Very high | 95.1 | Very high | 116 Ų | 116 | 32.1 Ų | 32.1 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 110.7 | 169.5 | -75.6 | 175 | 174.8 | -173.1 | -3.4 | 108.6 | M462 Y473 R534 | R445-M462 HydrophobicContact CB-CB 4.25Å; R445-M462 PolarHBondContact N-O 2.66Å; R445-M462 PolarHBondContact O-N 2.69Å; R445-Y473 HydrophobicContact CB-CD1 4.29Å; R445-Y473 HydrophobicContact CB-CE1 4.27Å; R445-Y473 HydrophobicContact CG-CD1 4.05Å; R445-Y473 HydrophobicContact CG-CE1 3.7Å; R445-R534 CarbonylContact C-O 3.58Å; R445-R534 VanDerWaalsContact CA-O 3.27Å; R445-R534 WeakPolarHBondContact CA-O 3.4Å |
| 446 | V | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.6 | -178.1 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | F422 Y448 V458 S460 L461 R534 I535 T536 | F422-V446 HydrophobicContact CD1-CB 3.92Å; F422-V446 HydrophobicContact CD1-CG1 4.17Å; F422-V446 HydrophobicContact CD1-CG2 3.7Å; F422-V446 HydrophobicContact CE1-CB 3.89Å; F422-V446 HydrophobicContact CE1-CG1 4.05Å; F422-V446 HydrophobicContact CE1-CG2 4.21Å; F422-V446 HydrophobicContact CG-CG2 4.43Å; V446-Y448 HydrophobicContact CG1-CD2 4.2Å; V446-Y448 HydrophobicContact CG1-CE1 4.48Å; V446-Y448 HydrophobicContact CG1-CE2 3.64Å; V446-Y448 HydrophobicContact CG2-CD1 4.12Å; V446-Y448 HydrophobicContact CG2-CE1 3.71Å; V446-Y448 HydrophobicContact CG2-CE2 4.34Å; V446-V458 HydrophobicContact CG2-CG1 4.1Å; V446-V458 HydrophobicContact CG2-CG2 4.47Å; V446-S460 WeakPolarHBondContact CA-O 3.49Å; V446-L461 HydrophobicContact CB-CD1 4.12Å; V446-L461 HydrophobicContact CG2-CD1 4.26Å; V446-R534 PolarHBondContact N-O 3.41Å; V446-I535 HydrophobicContact CG1-CB 4.2Å; V446-I535 HydrophobicContact CG1-CG1 4.09Å; V446-I535 HydrophobicContact CG1-CG2 3.88Å; V446-T536 PolarHBondContact O-N 2.85Å; V446-T536 PolarHBondContact O-OG1 2.84Å |
| 447 | V | 96.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 36 Ų | 36 | 21% | 0.212 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 113.4 | 175 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | K459 S460 T536 V538 | V447-K459 HydrophobicContact CG1-CB 4.46Å; V447-K459 HydrophobicContact CG1-CD 4.42Å; V447-K459 WeakPolarHBondContact O-CA 3.22Å; V447-K459 WeakPolarHBondContact O-CB 3.16Å; V447-K459 PolarHBondContact O-N 2.8Å; V447-S460 PolarHBondContact N-O 2.68Å; V447-S460 PolarHBondContact O-N 3.06Å; V447-T536 CarbonylContact C-O 3.51Å; V447-T536 WeakPolarHBondContact CA-O 3.3Å; V447-V538 HydrophobicContact CG1-CB 4.45Å; V447-V538 HydrophobicContact CG1-CG1 3.54Å; V447-V538 HydrophobicContact CG1-CG2 4.2Å |
| 448 | Y | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 145 | -179.9 | -65.9 | -58.7 | 0 | 0 | 0 | 112.7 | F422 S425 V426 F438 V446 R457 V458 I535 T536 F537 V538 | F422-Y448 WeakPolarHBondContact O-CE1 3.25Å; F422-Y448 PolarHBondContact O-OH 3.48Å; S425-Y448 PolarHBondContact OG-OH 3.4Å; V426-Y448 HydrophobicContact CB-CD1 4.41Å; V426-Y448 HydrophobicContact CB-CE1 4.32Å; V426-Y448 HydrophobicContact CG1-CD1 3.86Å; V426-Y448 HydrophobicContact CG1-CD2 3.93Å; V426-Y448 HydrophobicContact CG1-CE1 3.66Å; V426-Y448 HydrophobicContact CG1-CE2 3.72Å; V426-Y448 HydrophobicContact CG1-CG 3.99Å; V426-Y448 HydrophobicContact CG2-CD1 3.73Å; V426-Y448 HydrophobicContact CG2-CE1 3.66Å; F438-Y448 HydrophobicContact CE2-CE2 4.01Å; F438-Y448 AromaticContact CZ-CE2 3.99Å; F438-Y448 HydrophobicContact CZ-CE2 3.99Å; V446-Y448 HydrophobicContact CG1-CD2 4.2Å; V446-Y448 HydrophobicContact CG1-CE1 4.48Å; V446-Y448 HydrophobicContact CG1-CE2 3.64Å; V446-Y448 HydrophobicContact CG2-CD1 4.12Å; V446-Y448 HydrophobicContact CG2-CE1 3.71Å; V446-Y448 HydrophobicContact CG2-CE2 4.34Å; Y448-R457 CarbonylContact C-O 3.59Å; Y448-R457 VanDerWaalsContact CA-O 3.29Å; Y448-R457 WeakPolarHBondContact CA-O 2.96Å; Y448-V458 HydrophobicContact CD1-CG2 4.16Å; Y448-V458 HydrophobicContact CE1-CG2 3.85Å; Y448-I535 HydrophobicContact CD2-CG2 4.05Å; Y448-I535 HydrophobicContact CE2-CG2 3.77Å; Y448-T536 PolarHBondContact N-O 3.5Å; Y448-F537 HydrophobicContact CD2-CD1 4.27Å; Y448-F537 AromaticContact CD2-CE1 3.83Å; Y448-F537 HydrophobicContact CD2-CE1 3.83Å; Y448-F537 HydrophobicContact CD2-CZ 4.14Å; Y448-F537 HydrophobicContact CG-CD1 4.42Å; Y448-F537 HydrophobicContact CG-CE1 4.24Å; Y448-F537 CarbonylContact O-C 3.44Å; Y448-F537 WeakPolarHBondContact O-CA 3.43Å; Y448-V538 WeakPolarHBondContact O-CG2 3.4Å; Y448-V538 PolarHBondContact O-N 3.4Å |
| 449 | D | 92.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -125 | 86.1 | 168.9 | -170.3 | -20 | 0 | 0 | 0 | 109.2 | S451 R452 R457 K459 V538 | D449-S451 PolarHBondContact O-N 3.44Å; D449-S451 WeakPolarHBondContact OD1-CB 3.12Å; D449-S451 PolarHBondContact OD1-N 3.48Å; D449-S451 PolarHBondContact OD1-OG 3.25Å; D449-R452 HydrophobicContact CB-CG 4.36Å; D449-R452 WeakPolarHBondContact O-CB 3.36Å; D449-R452 PolarHBondContact O-N 2.97Å; D449-R452 VanDerWaalsContact O-N 3.12Å; D449-R457 PolarHBondContact N-O 2.81Å; D449-K459 HydrophobicContact CB-CB 4.44Å; D449-V538 HydrophobicContact CB-CG2 3.83Å | ||
| 450 | I | 89.5 | Confident | 96.1 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.138 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.1 | -178.1 | 63.5 | 170.8 | 0 | 0 | 0 | 113.9 | F429 Y431 R452 R457 F537 | F429-I450 HydrophobicContact CD1-CD1 4.05Å; F429-I450 HydrophobicContact CD1-CG2 3.89Å; F429-I450 HydrophobicContact CE1-CD1 3.94Å; F429-I450 HydrophobicContact CE1-CG2 4.3Å; F429-I450 HydrophobicContact CG-CG2 4.32Å; Y431-I450 HydrophobicContact CE2-CD1 3.87Å; I450-R452 PolarHBondContact O-N 3.18Å; I450-R457 PolarHBondContact O-NH2 3.48Å; I450-F537 HydrophobicContact CG2-CD1 3.96Å; I450-F537 HydrophobicContact CG2-CE1 3.92Å |
| 451 | S | 88 | Confident | 96.2 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11.6 | 171.1 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | D449 | D449-S451 PolarHBondContact O-N 3.44Å; D449-S451 WeakPolarHBondContact OD1-CB 3.12Å; D449-S451 PolarHBondContact OD1-N 3.48Å; D449-S451 PolarHBondContact OD1-OG 3.25Å |
| 452 | R | 92.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -86.3 | 157.7 | 175.7 | -67.7 | -175.5 | 165.8 | -161.2 | -8.8 | 112.8 | D449 I450 Q456 R457 | D449-R452 HydrophobicContact CB-CG 4.36Å; D449-R452 WeakPolarHBondContact O-CB 3.36Å; D449-R452 PolarHBondContact O-N 2.97Å; D449-R452 VanDerWaalsContact O-N 3.12Å; I450-R452 PolarHBondContact O-N 3.18Å; R452-Q456 WeakPolarHBondContact CD-O 3.04Å; R452-Q456 PolarHBondContact NH1-O 2.77Å; R452-R457 HydrophobicContact CB-CG 4.31Å; R452-R457 PolarHBondContact O-NE 2.96Å; R452-R457 PolarHBondContact O-NH2 2.61Å |
| 453 | P | 95.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 154.6 | 168.8 | 28.4 | -36.8 | 0 | 0 | 0 | 111.5 | Q456 R457 | P453-Q456 HydrophobicContact CG-CB 4.44Å; P453-Q456 HydrophobicContact CG-CG 4.45Å; P453-Q456 PolarHBondContact O-N 2.98Å; P453-R457 WeakPolarHBondContact O-CG 3.4Å |
| 454 | D | 95.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 141.6 | 172.4 | -69 | -20.4 | 0 | 0 | 0 | 111.3 | K427 G428 Q456 R457 | K427-D454 WeakPolarHBondContact CA-OD1 3.47Å; K427-D454 HydrophobicContact CG-CB 4.24Å; G428-D454 VanDerWaalsContact N-CG 3.28Å; G428-D454 PolarHBondContact N-OD1 2.86Å; G428-D454 PolarHBondContact N-OD2 3.43Å; D454-Q456 VanDerWaalsContact C-N 3.32Å; D454-R457 IonicContact OD1-CZ 3.41Å; D454-R457 IonicContact OD1-NE 3.72Å; D454-R457 PolarHBondContact OD1-NE 2.77Å; D454-R457 IonicContact OD1-NH1 2.69Å; D454-R457 PolarHBondContact OD1-NH1 3.24Å; D454-R457 IonicContact OD1-NH2 2.66Å |
| 455 | G | 97 | Very high | 96 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E423 | E423-G455 VanDerWaalsContact OE2-CA 3.24Å; E423-G455 WeakPolarHBondContact OE2-CA 3.26Å; E423-G455 PolarHBondContact OE2-N 3.05Å |
| 456 | Q | 97.4 | Very high | 95.8 | Very high | 112 Ų | 112 | 43.8 Ų | 43.8 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -138.5 | 10.4 | 171.2 | -56.2 | -176.8 | 21.8 | 0 | 0 | 113.4 | E423 R452 P453 D454 | E423-Q456 VanDerWaalsContact CD-N 3.34Å; E423-Q456 VanDerWaalsContact OE1-CA 3.25Å; E423-Q456 WeakPolarHBondContact OE1-CA 3.18Å; E423-Q456 PolarHBondContact OE1-N 3.24Å; E423-Q456 PolarHBondContact OE2-N 2.82Å; R452-Q456 WeakPolarHBondContact CD-O 3.04Å; R452-Q456 PolarHBondContact NH1-O 2.77Å; P453-Q456 HydrophobicContact CG-CB 4.44Å; P453-Q456 HydrophobicContact CG-CG 4.45Å; P453-Q456 PolarHBondContact O-N 2.98Å; D454-Q456 VanDerWaalsContact C-N 3.32Å |
| 457 | R | 96.6 | Very high | 95.5 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | trans | -78.3 | -21 | -172.6 | -69 | -178.6 | 164.3 | -173 | -5.8 | 113.1 | E423 V426 Y448 D449 I450 R452 P453 D454 K459 | E423-R457 VanDerWaalsContact CD-N 3.26Å; E423-R457 PolarHBondContact OE1-N 2.93Å; E423-R457 PolarHBondContact OE2-N 3.33Å; V426-R457 HydrophobicContact CG2-CB 3.58Å; V426-R457 HydrophobicContact CG2-CG 4.36Å; V426-R457 WeakPolarHBondContact O-CD 3.48Å; V426-R457 PolarHBondContact O-NH1 2.78Å; Y448-R457 CarbonylContact C-O 3.59Å; Y448-R457 VanDerWaalsContact CA-O 3.29Å; Y448-R457 WeakPolarHBondContact CA-O 2.96Å; D449-R457 PolarHBondContact N-O 2.81Å; I450-R457 PolarHBondContact O-NH2 3.48Å; R452-R457 HydrophobicContact CB-CG 4.31Å; R452-R457 PolarHBondContact O-NE 2.96Å; R452-R457 PolarHBondContact O-NH2 2.61Å; P453-R457 WeakPolarHBondContact O-CG 3.4Å; D454-R457 IonicContact OD1-CZ 3.41Å; D454-R457 IonicContact OD1-NE 3.72Å; D454-R457 PolarHBondContact OD1-NE 2.77Å; D454-R457 IonicContact OD1-NH1 2.69Å; D454-R457 PolarHBondContact OD1-NH1 3.24Å; D454-R457 IonicContact OD1-NH2 2.66Å; R457-K459 PolarHBondContact O-N 3.02Å | ||
| 458 | V | 98.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 104.9 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | L419 F422 E423 V446 Y448 L461 | L419-V458 HydrophobicContact CD1-CB 3.79Å; L419-V458 HydrophobicContact CD1-CG1 3.57Å; L419-V458 HydrophobicContact CD1-CG2 4.08Å; F422-V458 HydrophobicContact CB-CG2 3.78Å; E423-V458 HydrophobicContact CG-CB 4.44Å; E423-V458 HydrophobicContact CG-CG2 3.9Å; E423-V458 WeakPolarHBondContact OE1-CB 3.37Å; E423-V458 PolarHBondContact OE1-N 2.65Å; V446-V458 HydrophobicContact CG2-CG1 4.1Å; V446-V458 HydrophobicContact CG2-CG2 4.47Å; Y448-V458 HydrophobicContact CD1-CG2 4.16Å; Y448-V458 HydrophobicContact CE1-CG2 3.85Å; V458-L461 HydrophobicContact CG1-CB 3.95Å |
| 459 | K | 96.8 | Very high | 94.8 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -31.6 | 174.9 | 178.9 | 178.4 | 174.5 | -178.8 | 0 | 112.1 | V447 D449 R457 V538 | V447-K459 HydrophobicContact CG1-CB 4.46Å; V447-K459 HydrophobicContact CG1-CD 4.42Å; V447-K459 WeakPolarHBondContact O-CA 3.22Å; V447-K459 WeakPolarHBondContact O-CB 3.16Å; V447-K459 PolarHBondContact O-N 2.8Å; D449-K459 HydrophobicContact CB-CB 4.44Å; R457-K459 PolarHBondContact O-N 3.02Å; K459-V538 HydrophobicContact CD-CG2 3.47Å; K459-V538 VanDerWaalsContact CD-CG2 3.47Å |
| 460 | S | 98.2 | Very high | 94.8 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 137.2 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | V446 V447 | V446-S460 WeakPolarHBondContact CA-O 3.49Å; V447-S460 PolarHBondContact N-O 2.68Å; V447-S460 PolarHBondContact O-N 3.06Å |
| 461 | L | 98.7 | Very high | 95 | Very high | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.2 | 168.8 | 176.2 | 61 | 0 | 0 | 0 | 107.6 | L419 F422 A444 V446 V458 L463 V476 | L419-L461 HydrophobicContact CD1-CD2 4.37Å; F422-L461 HydrophobicContact CB-CD2 4.42Å; F422-L461 HydrophobicContact CD1-CD1 4.1Å; F422-L461 HydrophobicContact CD2-CD1 3.86Å; F422-L461 HydrophobicContact CD2-CD2 3.44Å; F422-L461 VanDerWaalsContact CD2-CD2 3.44Å; F422-L461 HydrophobicContact CD2-CG 4.31Å; F422-L461 HydrophobicContact CE1-CD1 3.88Å; F422-L461 HydrophobicContact CE2-CD1 3.66Å; F422-L461 HydrophobicContact CE2-CD2 3.84Å; F422-L461 HydrophobicContact CE2-CG 4.41Å; F422-L461 HydrophobicContact CG-CD1 4.09Å; F422-L461 HydrophobicContact CG-CD2 4Å; F422-L461 HydrophobicContact CZ-CD1 3.67Å; A444-L461 HydrophobicContact CB-CD1 4.38Å; V446-L461 HydrophobicContact CB-CD1 4.12Å; V446-L461 HydrophobicContact CG2-CD1 4.26Å; V458-L461 HydrophobicContact CG1-CB 3.95Å; L461-L463 HydrophobicContact CD1-CD2 3.88Å; L461-L463 HydrophobicContact CD2-CD2 4.39Å; L461-L463 HydrophobicContact CG-CD2 4.02Å; L461-L463 HydrophobicContact CG-CG 4.28Å; L461-V476 HydrophobicContact CB-CG1 4Å; L461-V476 HydrophobicContact CD2-CB 4.21Å; L461-V476 HydrophobicContact CD2-CG1 4.15Å; L461-V476 HydrophobicContact CD2-CG2 4.48Å; L461-V476 HydrophobicContact CG-CB 4.29Å; L461-V476 HydrophobicContact CG-CG1 4.26Å; L461-V476 PolarHBondContact O-N 2.79Å |
| 462 | M | 98.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.9 | 177 | -54.5 | -74.3 | -67.3 | 0 | 0 | 108.6 | A444 R445 Y473 E474 P475 | A444-M462 CarbonylContact C-O 3.43Å; A444-M462 WeakPolarHBondContact CA-O 3.42Å; R445-M462 HydrophobicContact CB-CB 4.25Å; R445-M462 PolarHBondContact N-O 2.66Å; R445-M462 PolarHBondContact O-N 2.69Å; M462-Y473 HydrophobicContact CB-CD1 4.28Å; M462-E474 CarbonylContact C-O 3.54Å; M462-E474 VanDerWaalsContact CA-O 3.22Å; M462-E474 WeakPolarHBondContact CA-O 3.23Å; M462-P475 HydrophobicContact CE-CG 4.12Å; M462-P475 HydrophobicContact SD-CB 4.09Å; M462-P475 HydrophobicContact SD-CG 3.82Å |
| 463 | L | 98.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.4 | -174.4 | -59.1 | 175.9 | 0 | 0 | 0 | 110.4 | I374 L418 G443 A444 L461 C465 Y473 E474 V476 Y482 | I374-L463 HydrophobicContact CD1-CB 4.01Å; I374-L463 HydrophobicContact CD1-CD1 4.35Å; I374-L463 HydrophobicContact CD1-CD2 4.24Å; I374-L463 HydrophobicContact CD1-CG 4.42Å; L418-L463 HydrophobicContact CD2-CD1 3.65Å; L418-L463 HydrophobicContact CD2-CD2 4.28Å; G443-L463 CarbonylContact O-C 3.56Å; A444-L463 HydrophobicContact CB-CD2 3.83Å; L461-L463 HydrophobicContact CD1-CD2 3.88Å; L461-L463 HydrophobicContact CD2-CD2 4.39Å; L461-L463 HydrophobicContact CG-CD2 4.02Å; L461-L463 HydrophobicContact CG-CG 4.28Å; L463-C465 PolarHBondContact O-N 3.27Å; L463-Y473 WeakPolarHBondContact O-CA 3.26Å; L463-E474 PolarHBondContact N-O 2.9Å; L463-E474 PolarHBondContact O-N 2.88Å; L463-V476 HydrophobicContact CD1-CB 3.91Å; L463-V476 HydrophobicContact CD1-CG2 3.81Å; L463-V476 HydrophobicContact CG-CB 4.43Å; L463-Y482 HydrophobicContact CB-CE1 4.15Å; L463-Y482 HydrophobicContact CD1-CD1 3.85Å; L463-Y482 HydrophobicContact CD1-CD2 4.31Å; L463-Y482 HydrophobicContact CD1-CE1 3.57Å; L463-Y482 HydrophobicContact CD1-CE2 4.06Å; L463-Y482 HydrophobicContact CD1-CG 4.21Å |
| 464 | L | 97.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 111.9 | -179.3 | -173.7 | 65.8 | 0 | 0 | 0 | 109.8 | W369 A373 G443 Q466 P471 Y473 | W369-L464 HydrophobicContact CH2-CD2 3.88Å; W369-L464 HydrophobicContact CZ2-CD2 3.82Å; W369-L464 HydrophobicContact CZ2-CG 4.02Å; A373-L464 HydrophobicContact CB-CB 4.47Å; A373-L464 HydrophobicContact CB-CD2 4.48Å; A373-L464 WeakPolarHBondContact CB-O 3.21Å; G443-L464 VanDerWaalsContact O-CB 3.26Å; G443-L464 WeakPolarHBondContact O-CB 3.47Å; G443-L464 PolarHBondContact O-N 3.44Å; L464-Q466 PolarHBondContact O-N 2.78Å; L464-P471 HydrophobicContact CD1-CB 3.91Å; L464-P471 HydrophobicContact CG-CB 4.49Å; L464-Y473 HydrophobicContact CB-CD1 4.49Å; L464-Y473 HydrophobicContact CB-CE1 4.16Å; L464-Y473 HydrophobicContact CD1-CD2 4.18Å; L464-Y473 HydrophobicContact CD1-CE2 4Å |
| 465 | C | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 14% | 0.142 | 33% | 0.333 | C | S | . | . | trans | -63.9 | 106.7 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | W369 L463 C468 K472 | W369-C465 PolarHBondContact NE1-O 2.99Å; L463-C465 PolarHBondContact O-N 3.27Å; C465-C468 HydrophobicContact CB-CB 3.76Å; C465-C468 WeakPolarHBondContact CB-SG 3.35Å; C465-C468 WeakPolarHBondContact SG-CB 3.43Å; C465-C468 PolarHBondContact SG-N 2.89Å; C465-C468 VanDerWaalsContact SG-N 3.35Å; C465-C468 CovalentContact SG-SG 2.03Å; C465-C468 PolarHBondContact SG-SG 2.7Å; C465-K472 HydrophobicContact CB-CG 4.32Å; C465-K472 PolarHBondContact N-O 3.37Å | ||
| 466 | Q | 94.1 | Very high | 96 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.7 | 173.9 | -176.1 | -175.5 | -5.1 | 0 | 0 | 112.9 | G368 W369 T370 T371 A373 L464 C468 D483 | G368-Q466 VanDerWaalsContact CA-O 3.23Å; G368-Q466 WeakPolarHBondContact CA-O 3.17Å; W369-Q466 PolarHBondContact N-O 3.17Å; W369-Q466 PolarHBondContact NE1-O 3.39Å; T370-Q466 HydrophobicContact CG2-CG 4.1Å; T370-Q466 WeakPolarHBondContact O-CG 3.29Å; T370-Q466 PolarHBondContact O-NE2 2.98Å; T371-Q466 PolarHBondContact O-NE2 3.22Å; T371-Q466 VanDerWaalsContact O-NE2 3.09Å; A373-Q466 HydrophobicContact CB-CB 3.92Å; A373-Q466 HydrophobicContact CB-CG 4.44Å; L464-Q466 PolarHBondContact O-N 2.78Å; Q466-C468 VanDerWaalsContact C-N 3.35Å; Q466-C468 PolarHBondContact O-N 3.43Å; Q466-D483 PolarHBondContact NE2-OD2 3.43Å; Q466-D483 VanDerWaalsContact NE2-OD2 3.08Å; Q466-D483 PolarHBondContact OE1-OD2 2.66Å |
| 467 | R | 91 | Very high | 96 | Very high | 113 Ų | 113 | 62.3 Ų | 62.3 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 26.6 | -174.2 | -66.8 | -179.6 | 174.8 | 138.4 | 12.9 | 114.5 | D367 | D367-R467 HydrophobicContact CB-CG 4.49Å; D367-R467 CarbonylContact O-C 3.49Å; D367-R467 WeakPolarHBondContact O-CA 3.35Å; D367-R467 WeakPolarHBondContact O-CB 3.48Å; D367-R467 IonicContact OD1-NE 2.74Å; D367-R467 PolarHBondContact OD1-NE 3.45Å; D367-R467 WeakPolarHBondContact OD2-CD 3.27Å; D367-R467 IonicContact OD2-CZ 3.07Å; D367-R467 IonicContact OD2-NE 3.44Å; D367-R467 PolarHBondContact OD2-NE 3.11Å |
| 468 | C | 90.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -109.8 | 137.4 | -179 | -73 | 0 | 0 | 0 | 0 | 111.1 | W369 C465 Q466 T470 K472 E474 | W369-C468 VanDerWaalsContact CD1-O 3.26Å; C465-C468 HydrophobicContact CB-CB 3.76Å; C465-C468 WeakPolarHBondContact CB-SG 3.35Å; C465-C468 WeakPolarHBondContact SG-CB 3.43Å; C465-C468 PolarHBondContact SG-N 2.89Å; C465-C468 VanDerWaalsContact SG-N 3.35Å; C465-C468 CovalentContact SG-SG 2.03Å; C465-C468 PolarHBondContact SG-SG 2.7Å; Q466-C468 VanDerWaalsContact C-N 3.35Å; Q466-C468 PolarHBondContact O-N 3.43Å; C468-T470 VanDerWaalsContact CB-O 3.31Å; C468-T470 WeakPolarHBondContact CB-O 3.31Å; C468-T470 PolarHBondContact O-N 3.35Å; C468-K472 HydrophobicContact CB-CG 4.46Å; C468-K472 WeakPolarHBondContact SG-CE 3.14Å; C468-E474 PolarHBondContact SG-OE2 2.91Å; C468-E474 VanDerWaalsContact SG-OE2 3.41Å |
| 469 | K | 87.1 | Confident | 96.1 | Very high | 221 Ų | 221 | 69.9 Ų | 69.9 | 96% | 0.961 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -58 | -13.3 | 175.1 | -66.8 | -172.4 | 176.6 | -175.6 | 0 | 114.6 | ||
| 470 | T | 91.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 65.7 Ų | 65.7 | 64% | 0.644 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -145.6 | 130.7 | 170.7 | -53.9 | 0 | 0 | 0 | 0 | 106.8 | C468 K472 | C468-T470 VanDerWaalsContact CB-O 3.31Å; C468-T470 WeakPolarHBondContact CB-O 3.31Å; C468-T470 PolarHBondContact O-N 3.35Å; T470-K472 PolarHBondContact O-N 2.95Å |
| 471 | P | 94.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | trans | -60.2 | 129.2 | -180 | -21.2 | 31.2 | 0 | 0 | 0 | 111.1 | W369 L464 | W369-P471 HydrophobicContact CD2-CG 3.81Å; W369-P471 HydrophobicContact CE3-CG 4.28Å; W369-P471 HydrophobicContact CG-CG 4.22Å; W369-P471 HydrophobicContact CH2-CG 4.43Å; W369-P471 HydrophobicContact CZ2-CB 3.89Å; W369-P471 HydrophobicContact CZ2-CG 3.97Å; L464-P471 HydrophobicContact CD1-CB 3.91Å; L464-P471 HydrophobicContact CG-CB 4.49Å | ||
| 472 | K | 96.4 | Very high | 96.1 | Very high | 97 Ų | 97 | 68.5 Ų | 68.5 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | trans | -147.6 | 151.8 | 177.4 | 53.6 | 165.4 | 176.1 | 159.4 | 0 | 110.1 | C465 C468 T470 E474 | C465-K472 HydrophobicContact CB-CG 4.32Å; C465-K472 PolarHBondContact N-O 3.37Å; C468-K472 HydrophobicContact CB-CG 4.46Å; C468-K472 WeakPolarHBondContact SG-CE 3.14Å; T470-K472 PolarHBondContact O-N 2.95Å; K472-E474 HydrophobicContact CD-CG 4Å; K472-E474 WeakPolarHBondContact CE-OE1 3.48Å; K472-E474 WeakPolarHBondContact CE-OE2 3.4Å; K472-E474 HydrophobicContact CG-CG 4.17Å; K472-E474 IonicContact NZ-OE1 3.66Å; K472-E474 PolarHBondContact NZ-OE1 2.79Å; K472-E474 IonicContact NZ-OE2 2.68Å; K472-E474 PolarHBondContact NZ-OE2 2.58Å | ||
| 473 | Y | 98.1 | Very high | 96 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.4 | 172.2 | -76.7 | -87.7 | 0 | 0 | 0 | 110 | G443 R445 M462 L463 L464 | G443-Y473 WeakPolarHBondContact O-CE1 3.36Å; R445-Y473 HydrophobicContact CB-CD1 4.29Å; R445-Y473 HydrophobicContact CB-CE1 4.27Å; R445-Y473 HydrophobicContact CG-CD1 4.05Å; R445-Y473 HydrophobicContact CG-CE1 3.7Å; M462-Y473 HydrophobicContact CB-CD1 4.28Å; L463-Y473 WeakPolarHBondContact O-CA 3.26Å; L464-Y473 HydrophobicContact CB-CD1 4.49Å; L464-Y473 HydrophobicContact CB-CE1 4.16Å; L464-Y473 HydrophobicContact CD1-CD2 4.18Å; L464-Y473 HydrophobicContact CD1-CE2 4Å |
| 474 | E | 98.2 | Very high | 96 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.7 | 175.6 | -59.3 | -165.3 | 101.5 | 0 | 0 | 109.7 | M462 L463 C468 K472 | M462-E474 CarbonylContact C-O 3.54Å; M462-E474 VanDerWaalsContact CA-O 3.22Å; M462-E474 WeakPolarHBondContact CA-O 3.23Å; L463-E474 PolarHBondContact N-O 2.9Å; L463-E474 PolarHBondContact O-N 2.88Å; C468-E474 PolarHBondContact SG-OE2 2.91Å; C468-E474 VanDerWaalsContact SG-OE2 3.41Å; K472-E474 HydrophobicContact CD-CG 4Å; K472-E474 WeakPolarHBondContact CE-OE1 3.48Å; K472-E474 WeakPolarHBondContact CE-OE2 3.4Å; K472-E474 HydrophobicContact CG-CG 4.17Å; K472-E474 IonicContact NZ-OE1 3.66Å; K472-E474 PolarHBondContact NZ-OE1 2.79Å; K472-E474 IonicContact NZ-OE2 2.68Å; K472-E474 PolarHBondContact NZ-OE2 2.58Å |
| 475 | P | 98.4 | Very high | 96 | Very high | 89 Ų | 89 | 64.9 Ų | 64.9 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 150 | 174.2 | -20.6 | 32.6 | 0 | 0 | 0 | 111.2 | M462 D477 | M462-P475 HydrophobicContact CE-CG 4.12Å; M462-P475 HydrophobicContact SD-CB 4.09Å; M462-P475 HydrophobicContact SD-CG 3.82Å; P475-D477 PolarHBondContact O-N 2.71Å |
| 476 | V | 98.4 | Very high | 96.1 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 123.6 | 169.6 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | L461 L463 L478 Y482 | L461-V476 HydrophobicContact CB-CG1 4Å; L461-V476 HydrophobicContact CD2-CB 4.21Å; L461-V476 HydrophobicContact CD2-CG1 4.15Å; L461-V476 HydrophobicContact CD2-CG2 4.48Å; L461-V476 HydrophobicContact CG-CB 4.29Å; L461-V476 HydrophobicContact CG-CG1 4.26Å; L461-V476 PolarHBondContact O-N 2.79Å; L463-V476 HydrophobicContact CD1-CB 3.91Å; L463-V476 HydrophobicContact CD1-CG2 3.81Å; L463-V476 HydrophobicContact CG-CB 4.43Å; V476-L478 HydrophobicContact CG1-CD2 4.36Å; V476-Y482 HydrophobicContact CG2-CE2 4.14Å |
| 477 | D | 98.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 122.6 | 166.3 | 177.9 | -28.3 | 0 | 0 | 0 | 107 | G415 P475 D479 A480 Y482 | G415-D477 WeakPolarHBondContact CA-O 3.08Å; P475-D477 PolarHBondContact O-N 2.71Å; D477-D479 VanDerWaalsContact C-N 3.28Å; D477-D479 PolarHBondContact O-N 2.92Å; D477-D479 PolarHBondContact OD1-N 3.34Å; D477-A480 HydrophobicContact CB-CB 3.69Å; D477-A480 PolarHBondContact OD1-N 2.93Å; D477-A480 VanDerWaalsContact OD1-N 3.14Å; D477-Y482 PolarHBondContact N-OH 3.39Å |
| 478 | L | 98.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -71.8 | -23.5 | -172.6 | -58.7 | -178.2 | 0 | 0 | 0 | 113.1 | Q414 K416 L419 V476 | Q414-L478 VanDerWaalsContact CG-O 3.3Å; Q414-L478 WeakPolarHBondContact CG-O 3.29Å; K416-L478 HydrophobicContact CB-CB 4.3Å; K416-L478 PolarHBondContact N-O 3.02Å; L419-L478 HydrophobicContact CB-CD2 4.42Å; L419-L478 HydrophobicContact CD2-CD2 3.71Å; V476-L478 HydrophobicContact CG1-CD2 4.36Å |
| 479 | D | 98.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 59.4 Ų | 59.4 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -96 | -22.2 | -179.1 | -73.2 | -52.8 | 0 | 0 | 0 | 112.5 | Q414 D477 | Q414-D479 PolarHBondContact NE2-O 3.11Å; D477-D479 VanDerWaalsContact C-N 3.28Å; D477-D479 PolarHBondContact O-N 2.92Å; D477-D479 PolarHBondContact OD1-N 3.34Å |
| 480 | A | 97.6 | Very high | 97 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -66.3 | 155.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q414 G415 D477 Y482 | Q414-A480 CarbonylContact C-O 3.55Å; Q414-A480 WeakPolarHBondContact CA-O 3.38Å; G415-A480 PolarHBondContact N-O 3.48Å; D477-A480 HydrophobicContact CB-CB 3.69Å; D477-A480 PolarHBondContact OD1-N 2.93Å; D477-A480 VanDerWaalsContact OD1-N 3.14Å; A480-Y482 HydrophobicContact CB-CE2 3.97Å |
| 481 | M | 97.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.8 | 175 | -58.3 | -58.7 | -63.9 | 0 | 0 | 110.9 | R412 I413 Q414 | R412-M481 HydrophobicContact CG-CB 4.13Å; R412-M481 HydrophobicContact CG-CE 3.77Å; I413-M481 WeakPolarHBondContact O-CA 3.38Å; Q414-M481 HydrophobicContact CB-CE 4.3Å; Q414-M481 HydrophobicContact CB-SD 3.63Å; Q414-M481 HydrophobicContact CG-SD 4.03Å |
| 482 | Y | 97.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.6 | -179 | -65 | -87.9 | 0 | 0 | 0 | 111.2 | I374 R412 I413 L418 L463 V476 D477 A480 | I374-Y482 HydrophobicContact CD1-CD1 3.81Å; I374-Y482 HydrophobicContact CD1-CG 4.42Å; R412-Y482 WeakPolarHBondContact CA-O 3.46Å; I413-Y482 PolarHBondContact N-O 2.89Å; I413-Y482 PolarHBondContact O-N 2.72Å; L418-Y482 HydrophobicContact CD2-CD2 4.43Å; L418-Y482 HydrophobicContact CD2-CG 4.36Å; L463-Y482 HydrophobicContact CB-CE1 4.15Å; L463-Y482 HydrophobicContact CD1-CD1 3.85Å; L463-Y482 HydrophobicContact CD1-CD2 4.31Å; L463-Y482 HydrophobicContact CD1-CE1 3.57Å; L463-Y482 HydrophobicContact CD1-CE2 4.06Å; L463-Y482 HydrophobicContact CD1-CG 4.21Å; V476-Y482 HydrophobicContact CG2-CE2 4.14Å; D477-Y482 PolarHBondContact N-OH 3.39Å; A480-Y482 HydrophobicContact CB-CE2 3.97Å |
| 483 | D | 97.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120 | 171.1 | -58.2 | -22 | 0 | 0 | 0 | 109 | L410 I411 R412 Q466 | L410-D483 HydrophobicContact CD1-CB 4.2Å; I411-D483 WeakPolarHBondContact O-CA 3.22Å; R412-D483 IonicContact CZ-OD1 3.71Å; R412-D483 IonicContact CZ-OD2 3.06Å; R412-D483 IonicContact NE-OD1 3.65Å; R412-D483 PolarHBondContact NE-OD1 3.23Å; R412-D483 IonicContact NH2-OD1 3.25Å; R412-D483 PolarHBondContact NH2-OD1 3.08Å; R412-D483 IonicContact NH2-OD2 3.38Å; R412-D483 PolarHBondContact NH2-OD2 3.36Å; Q466-D483 PolarHBondContact NE2-OD2 3.43Å; Q466-D483 VanDerWaalsContact NE2-OD2 3.08Å; Q466-D483 PolarHBondContact OE1-OD2 2.66Å |
| 484 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.9 | -170.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | I374 I376 I411 I413 L418 | I374-V484 HydrophobicContact CB-CG2 4.3Å; I374-V484 HydrophobicContact CG2-CG1 4.22Å; I374-V484 HydrophobicContact CG2-CG2 4.15Å; I376-V484 HydrophobicContact CD1-CG1 4.25Å; I376-V484 HydrophobicContact CG1-CG1 3.94Å; I376-V484 HydrophobicContact CG2-CG1 4.4Å; I411-V484 HydrophobicContact CG1-CB 4.25Å; I411-V484 WeakPolarHBondContact CG1-O 3.44Å; I411-V484 PolarHBondContact N-O 2.84Å; I411-V484 PolarHBondContact O-N 3.2Å; I413-V484 HydrophobicContact CG2-CG2 3.98Å; L418-V484 HydrophobicContact CD1-CG2 4.43Å; L418-V484 HydrophobicContact CD2-CG2 4.2Å |
| 485 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S352 F356 C372 I374 S375 I376 V409 | S352-A485 WeakPolarHBondContact O-CB 3.25Å; F356-A485 HydrophobicContact CD2-CB 3.83Å; F356-A485 HydrophobicContact CE2-CB 3.7Å; C372-A485 PolarHBondContact SG-N 2.97Å; C372-A485 VanDerWaalsContact SG-N 3.45Å; I374-A485 PolarHBondContact O-N 3.31Å; S375-A485 CarbonylContact C-O 3.57Å; S375-A485 WeakPolarHBondContact CA-O 3.33Å; S375-A485 WeakPolarHBondContact CB-O 3.38Å; S375-A485 PolarHBondContact OG-O 3.22Å; I376-A485 PolarHBondContact N-O 3.02Å; V409-A485 WeakPolarHBondContact O-CA 3.44Å |
| 486 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -170.2 | 172.9 | -164.9 | 0 | 0 | 0 | 0 | 109.3 | I376 I408 V409 I411 | I376-T486 WeakPolarHBondContact O-CA 3.47Å; I376-T486 WeakPolarHBondContact O-CB 3.37Å; I376-T486 PolarHBondContact O-OG1 2.89Å; I408-T486 CarbonylContact C-O 3.37Å; I408-T486 WeakPolarHBondContact CA-O 3.44Å; V409-T486 HydrophobicContact CG2-CG2 4.25Å; V409-T486 PolarHBondContact N-O 3.45Å; V409-T486 PolarHBondContact O-N 3.41Å; V409-T486 VanDerWaalsContact O-O 3.1Å; I411-T486 HydrophobicContact CD1-CG2 3.73Å; I411-T486 HydrophobicContact CG1-CG2 4.15Å; I411-T486 HydrophobicContact CG2-CG2 4.46Å |
| 487 | K | 95.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152 | 174.5 | 70.5 | -172.4 | -156.1 | 174.5 | 0 | 112.2 | N378 T381 E407 I408 Y489 L490 Y491 E513 | N378-K487 WeakPolarHBondContact OD1-CE 3.44Å; N378-K487 PolarHBondContact OD1-NZ 3.07Å; T381-K487 PolarHBondContact OG1-NZ 3.14Å; E407-K487 CarbonylContact O-C 3.6Å; E407-K487 VanDerWaalsContact O-CA 3.28Å; E407-K487 WeakPolarHBondContact O-CA 3.32Å; I408-K487 HydrophobicContact CD1-CB 4.25Å; K487-Y489 VanDerWaalsContact C-N 3.28Å; K487-Y489 HydrophobicContact CD-CD1 4.38Å; K487-Y489 HydrophobicContact CG-CD1 4.5Å; K487-Y489 PolarHBondContact O-N 3.32Å; K487-L490 HydrophobicContact CD-CD1 4.45Å; K487-L490 HydrophobicContact CD-CG 4.24Å; K487-L490 HydrophobicContact CG-CB 4.05Å; K487-L490 HydrophobicContact CG-CD1 4.03Å; K487-L490 HydrophobicContact CG-CG 3.69Å; K487-L490 PolarHBondContact O-N 3.36Å; K487-Y491 PolarHBondContact O-N 3.4Å; K487-Y491 VanDerWaalsContact O-N 3.12Å; K487-E513 HydrophobicContact CB-CG 4.4Å; K487-E513 HydrophobicContact CD-CG 4.25Å; K487-E513 WeakPolarHBondContact CD-OE1 3.4Å; K487-E513 VanDerWaalsContact CD-OE2 3.26Å; K487-E513 WeakPolarHBondContact CD-OE2 3.44Å; K487-E513 IonicContact NZ-OE1 3.62Å; K487-E513 PolarHBondContact NZ-OE1 2.62Å; K487-E513 IonicContact NZ-OE2 2.74Å; K487-E513 PolarHBondContact NZ-OE2 2.03Å |
| 488 | A | 96.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -49.3 | -49.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E407 V409 L490 Y491 E492 | E407-A488 PolarHBondContact O-N 3.28Å; V409-A488 HydrophobicContact CG1-CB 4.33Å; A488-L490 VanDerWaalsContact C-N 3.3Å; A488-L490 PolarHBondContact O-N 3.34Å; A488-Y491 CarbonylContact O-C 3.49Å; A488-Y491 WeakPolarHBondContact O-CA 3.3Å; A488-Y491 WeakPolarHBondContact O-CB 3.28Å; A488-Y491 PolarHBondContact O-N 3.36Å; A488-E492 VanDerWaalsContact C-OE2 3.27Å; A488-E492 WeakPolarHBondContact O-CB 3.5Å; A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 2.85Å |
| 489 | Y | 93.5 | Very high | 96.5 | Very high | 37 Ų | 37 | 33 Ų | 33 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.6 | -39.4 | 176.9 | 162.9 | -83.4 | 0 | 0 | 0 | 114 | D169 L170 S406 K487 G493 G494 D495 | D169-Y489 PolarHBondContact O-OH 2.66Å; L170-Y489 WeakPolarHBondContact CA-OH 3.28Å; S406-Y489 WeakPolarHBondContact OG-CB 3.01Å; S406-Y489 PolarHBondContact OG-N 3.13Å; K487-Y489 VanDerWaalsContact C-N 3.28Å; K487-Y489 HydrophobicContact CD-CD1 4.38Å; K487-Y489 HydrophobicContact CG-CD1 4.5Å; K487-Y489 PolarHBondContact O-N 3.32Å; Y489-G493 PolarHBondContact O-N 3.06Å; Y489-G494 WeakPolarHBondContact O-CA 3.42Å; Y489-G494 PolarHBondContact O-N 3.25Å; Y489-D495 HydrophobicContact CE1-CB 4.05Å; Y489-D495 PolarHBondContact OH-N 3.49Å; Y489-D495 VanDerWaalsContact OH-N 3.11Å |
| 490 | L | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.2 | -39.4 | 178.1 | -70 | -179.2 | 0 | 0 | 0 | 111.7 | N378 K487 A488 E492 G493 D495 Y497 L500 | N378-L490 HydrophobicContact CB-CD1 4.08Å; N378-L490 HydrophobicContact CB-CD2 4.03Å; K487-L490 HydrophobicContact CD-CD1 4.45Å; K487-L490 HydrophobicContact CD-CG 4.24Å; K487-L490 HydrophobicContact CG-CB 4.05Å; K487-L490 HydrophobicContact CG-CD1 4.03Å; K487-L490 HydrophobicContact CG-CG 3.69Å; K487-L490 PolarHBondContact O-N 3.36Å; A488-L490 VanDerWaalsContact C-N 3.3Å; A488-L490 PolarHBondContact O-N 3.34Å; L490-E492 VanDerWaalsContact C-N 3.3Å; L490-E492 PolarHBondContact O-N 3.12Å; L490-G493 PolarHBondContact O-N 3.4Å; L490-D495 HydrophobicContact CD2-CB 4.19Å; L490-Y497 HydrophobicContact CD2-CD2 3.52Å; L490-Y497 HydrophobicContact CD2-CE2 4.09Å; L490-Y497 HydrophobicContact CD2-CG 4.09Å; L490-L500 HydrophobicContact CB-CD1 4.03Å |
| 491 | Y | 97.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 20% | 0.204 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 174 | 160.5 | -111.2 | 0 | 0 | 0 | 112.2 | I411 K487 A488 G493 T501 A503 L505 | I411-Y491 HydrophobicContact CB-CD2 4.48Å; I411-Y491 HydrophobicContact CD1-CD2 4.47Å; I411-Y491 HydrophobicContact CG2-CD2 3.65Å; I411-Y491 HydrophobicContact CG2-CE2 4.24Å; I411-Y491 HydrophobicContact CG2-CG 3.88Å; K487-Y491 PolarHBondContact O-N 3.4Å; K487-Y491 VanDerWaalsContact O-N 3.12Å; A488-Y491 CarbonylContact O-C 3.49Å; A488-Y491 WeakPolarHBondContact O-CA 3.3Å; A488-Y491 WeakPolarHBondContact O-CB 3.28Å; A488-Y491 PolarHBondContact O-N 3.36Å; Y491-G493 PolarHBondContact O-N 2.81Å; Y491-T501 WeakPolarHBondContact O-CG2 3.43Å; Y491-T501 PolarHBondContact O-N 2.91Å; Y491-A503 HydrophobicContact CD2-CB 4.43Å; Y491-A503 HydrophobicContact CE2-CB 4.41Å; Y491-L505 HydrophobicContact CE1-CB 4.14Å; Y491-L505 HydrophobicContact CE1-CD2 4.14Å; Y491-L505 HydrophobicContact CE2-CB 4.41Å |
| 492 | E | 95.1 | Very high | 96.6 | Very high | 135 Ų | 135 | 30.1 Ų | 30.1 | 63% | 0.631 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -12.1 | 177.2 | -71.5 | 155.8 | 174.4 | 0 | 0 | 112.8 | A488 L490 | A488-E492 VanDerWaalsContact C-OE2 3.27Å; A488-E492 WeakPolarHBondContact O-CB 3.5Å; A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 2.85Å; L490-E492 VanDerWaalsContact C-N 3.3Å; L490-E492 PolarHBondContact O-N 3.12Å |
| 493 | G | 94.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112 | 5.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y489 L490 Y491 G496 Y497 H498 | Y489-G493 PolarHBondContact O-N 3.06Å; L490-G493 PolarHBondContact O-N 3.4Å; Y491-G493 PolarHBondContact O-N 2.81Å; G493-G496 CarbonylContact O-C 3.09Å; G493-G496 PolarHBondContact O-N 2.89Å; G493-Y497 PolarHBondContact O-N 2.96Å; G493-H498 PolarHBondContact O-ND1 3.15Å |
| 494 | G | 92.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -63.4 | 163 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D169 Y489 G496 Y497 | D169-G494 CarbonylContact O-C 3.5Å; D169-G494 WeakPolarHBondContact O-CA 3.48Å; Y489-G494 WeakPolarHBondContact O-CA 3.42Å; Y489-G494 PolarHBondContact O-N 3.25Å; G494-G496 PolarHBondContact O-N 3.05Å; G494-G496 VanDerWaalsContact O-N 3.11Å; G494-Y497 WeakPolarHBondContact O-CB 3.4Å; G494-Y497 WeakPolarHBondContact O-CD2 3.27Å; G494-Y497 PolarHBondContact O-N 3.09Å |
| 495 | D | 93.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 50.3 | 24.5 | -163.7 | -135.2 | -27.3 | 0 | 0 | 0 | 112.2 | D169 L170 N378 H424 K437 Y489 L490 Y497 | D169-D495 PolarHBondContact O-N 2.83Å; L170-D495 WeakPolarHBondContact CD2-OD1 3.35Å; N378-D495 PolarHBondContact ND2-OD2 3.05Å; H424-D495 PolarHBondContact NE2-O 2.83Å; K437-D495 VanDerWaalsContact CA-CG 3.44Å; K437-D495 VanDerWaalsContact CA-OD2 3.24Å; K437-D495 WeakPolarHBondContact CA-OD2 3.41Å; K437-D495 HydrophobicContact CB-CB 4.19Å; K437-D495 WeakPolarHBondContact CB-OD1 3.35Å; K437-D495 VanDerWaalsContact N-CG 3.3Å; K437-D495 PolarHBondContact N-OD1 2.93Å; K437-D495 PolarHBondContact N-OD2 2.89Å; Y489-D495 HydrophobicContact CE1-CB 4.05Å; Y489-D495 PolarHBondContact OH-N 3.49Å; Y489-D495 VanDerWaalsContact OH-N 3.11Å; L490-D495 HydrophobicContact CD2-CB 4.19Å; D495-Y497 HydrophobicContact CB-CD2 4.01Å; D495-Y497 HydrophobicContact CB-CE2 4.26Å |
| 496 | G | 94.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | 78.1 | 13.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H424 G493 G494 H498 | H424-G496 VanDerWaalsContact NE2-C 3.29Å; H424-G496 PolarHBondContact NE2-O 3.26Å; G493-G496 CarbonylContact O-C 3.09Å; G493-G496 PolarHBondContact O-N 2.89Å; G494-G496 PolarHBondContact O-N 3.05Å; G494-G496 VanDerWaalsContact O-N 3.11Å; G496-H498 PolarHBondContact O-N 3.33Å |
| 497 | Y | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 35.3 | -176.6 | -82.9 | -85.9 | 0 | 0 | 0 | 115.2 | A421 H424 S425 K437 L439 L490 G493 G494 D495 M499 L500 | A421-Y497 HydrophobicContact CB-CD1 3.91Å; A421-Y497 HydrophobicContact CB-CE1 3.8Å; A421-Y497 WeakPolarHBondContact O-CE1 3.36Å; H424-Y497 AromaticContact CD2-CD1 3.98Å; H424-Y497 AromaticContact CD2-CD2 3.81Å; H424-Y497 AromaticContact CD2-CE1 3.83Å; H424-Y497 AromaticContact CD2-CE2 3.7Å; H424-Y497 AromaticContact CD2-CG 3.95Å; H424-Y497 AromaticContact CD2-CZ 3.68Å; S425-Y497 VanDerWaalsContact CA-OH 3.24Å; S425-Y497 WeakPolarHBondContact CA-OH 3.33Å; S425-Y497 WeakPolarHBondContact CB-OH 3.46Å; S425-Y497 PolarHBondContact N-OH 3.04Å; K437-Y497 HydrophobicContact CB-CE2 3.78Å; K437-Y497 PolarHBondContact O-OH 3.47Å; L439-Y497 HydrophobicContact CD1-CE1 4.2Å; L439-Y497 HydrophobicContact CD2-CE1 4.17Å; L439-Y497 HydrophobicContact CD2-CE2 4.38Å; L439-Y497 WeakPolarHBondContact CD2-OH 3.45Å; L439-Y497 HydrophobicContact CG-CE1 4.39Å; L439-Y497 VanDerWaalsContact CG-OH 3.25Å; L439-Y497 WeakPolarHBondContact CG-OH 3.08Å; L490-Y497 HydrophobicContact CD2-CD2 3.52Å; L490-Y497 HydrophobicContact CD2-CE2 4.09Å; L490-Y497 HydrophobicContact CD2-CG 4.09Å; G493-Y497 PolarHBondContact O-N 2.96Å; G494-Y497 WeakPolarHBondContact O-CB 3.4Å; G494-Y497 WeakPolarHBondContact O-CD2 3.27Å; G494-Y497 PolarHBondContact O-N 3.09Å; D495-Y497 HydrophobicContact CB-CD2 4.01Å; D495-Y497 HydrophobicContact CB-CE2 4.26Å; Y497-M499 VanDerWaalsContact CA-SD 3.59Å; Y497-M499 HydrophobicContact CD1-SD 3.64Å; Y497-M499 HydrophobicContact CE1-SD 4.48Å; Y497-M499 HydrophobicContact CG-SD 4.27Å; Y497-M499 PolarHBondContact O-N 3.24Å; Y497-L500 HydrophobicContact CD1-CD1 3.93Å; Y497-L500 HydrophobicContact CD1-CG 4.18Å; Y497-L500 HydrophobicContact CG-CD1 4.19Å; Y497-L500 WeakPolarHBondContact O-CB 3.26Å; Y497-L500 PolarHBondContact O-N 3.14Å |
| 498 | H | 96.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 49 Ų | 49 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -55.3 | -22.8 | -176 | -45.5 | -34 | 0 | 0 | 0 | 114.5 | D169 G493 G496 L500 T501 | D169-H498 IonicContact OD1-CE1 2.71Å; D169-H498 PolarHBondContact OD1-CE1 2.83Å; D169-H498 IonicContact OD1-NE2 2.71Å; G493-H498 PolarHBondContact O-ND1 3.15Å; G496-H498 PolarHBondContact O-N 3.33Å; H498-L500 PolarHBondContact O-N 2.64Å; H498-T501 WeakPolarHBondContact O-CB 3.47Å; H498-T501 WeakPolarHBondContact O-CG2 3.44Å; H498-T501 PolarHBondContact O-N 2.88Å; H498-T501 PolarHBondContact O-OG1 2.94Å |
| 499 | M | 98.2 | Very high | 96.5 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 14% | 0.138 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -63.3 | -28.1 | 174.8 | 71 | -62.7 | -64.8 | 0 | 0 | 112.8 | H417 E420 A421 H424 Y497 T501 N502 | H417-M499 WeakPolarHBondContact O-CG 3.47Å; E420-M499 HydrophobicContact CB-CB 4.08Å; E420-M499 HydrophobicContact CB-CG 3.85Å; A421-M499 HydrophobicContact CB-CG 4.01Å; A421-M499 HydrophobicContact CB-SD 3.95Å; H424-M499 HydrophobicContact CB-CE 3.61Å; Y497-M499 VanDerWaalsContact CA-SD 3.59Å; Y497-M499 HydrophobicContact CD1-SD 3.64Å; Y497-M499 HydrophobicContact CE1-SD 4.48Å; Y497-M499 HydrophobicContact CG-SD 4.27Å; Y497-M499 PolarHBondContact O-N 3.24Å; M499-T501 PolarHBondContact O-N 3.45Å; M499-N502 WeakPolarHBondContact O-CB 3.45Å; M499-N502 PolarHBondContact O-N 2.86Å; M499-N502 PolarHBondContact O-ND2 3.35Å |
| 500 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -69 | -20 | 177.1 | -58.6 | -174.2 | 0 | 0 | 0 | 112.9 | I376 I413 A421 L490 Y497 H498 N502 A503 | I376-L500 HydrophobicContact CD1-CD1 4.04Å; I376-L500 HydrophobicContact CD1-CD2 4.11Å; I413-L500 HydrophobicContact CD1-CD2 3.41Å; I413-L500 VanDerWaalsContact CD1-CD2 3.41Å; A421-L500 HydrophobicContact CB-CD2 3.84Å; L490-L500 HydrophobicContact CB-CD1 4.03Å; Y497-L500 HydrophobicContact CD1-CD1 3.93Å; Y497-L500 HydrophobicContact CD1-CG 4.18Å; Y497-L500 HydrophobicContact CG-CD1 4.19Å; Y497-L500 WeakPolarHBondContact O-CB 3.26Å; Y497-L500 PolarHBondContact O-N 3.14Å; H498-L500 PolarHBondContact O-N 2.64Å; L500-N502 PolarHBondContact O-N 2.95Å; L500-N502 VanDerWaalsContact O-N 3.15Å; L500-A503 WeakPolarHBondContact O-CB 3.24Å; L500-A503 PolarHBondContact O-N 3.46Å |
| 501 | T | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -64.9 | -14.7 | 173.7 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | Y491 H498 M499 A503 | Y491-T501 WeakPolarHBondContact O-CG2 3.43Å; Y491-T501 PolarHBondContact O-N 2.91Å; H498-T501 WeakPolarHBondContact O-CB 3.47Å; H498-T501 WeakPolarHBondContact O-CG2 3.44Å; H498-T501 PolarHBondContact O-N 2.88Å; H498-T501 PolarHBondContact O-OG1 2.94Å; M499-T501 PolarHBondContact O-N 3.45Å; T501-A503 PolarHBondContact O-N 3.41Å |
| 502 | N | 98.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -78.5 | -3.7 | 171.6 | -61 | -88.1 | 0 | 0 | 0 | 113 | M499 L500 | M499-N502 WeakPolarHBondContact O-CB 3.45Å; M499-N502 PolarHBondContact O-N 2.86Å; M499-N502 PolarHBondContact O-ND2 3.35Å; L500-N502 PolarHBondContact O-N 2.95Å; L500-N502 VanDerWaalsContact O-N 3.15Å |
| 503 | A | 98.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -81.6 | 154.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I411 R412 I413 Y491 L500 T501 | I411-A503 HydrophobicContact CB-CB 3.92Å; I411-A503 HydrophobicContact CD1-CB 3.83Å; I411-A503 HydrophobicContact CG1-CB 4.18Å; R412-A503 CarbonylContact O-C 3.58Å; R412-A503 WeakPolarHBondContact O-CA 3.47Å; I413-A503 HydrophobicContact CB-CB 3.77Å; I413-A503 HydrophobicContact CD1-CB 4.2Å; I413-A503 HydrophobicContact CG1-CB 3.98Å; Y491-A503 HydrophobicContact CD2-CB 4.43Å; Y491-A503 HydrophobicContact CE2-CB 4.41Å; L500-A503 WeakPolarHBondContact O-CB 3.24Å; L500-A503 PolarHBondContact O-N 3.46Å; T501-A503 PolarHBondContact O-N 3.41Å |
| 504 | T | 98.5 | Very high | 96 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 54% | 0.54 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.8 | 168 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | R412 L506 | R412-T504 PolarHBondContact N-O 2.81Å; R412-T504 PolarHBondContact O-N 3.32Å; T504-L506 PolarHBondContact O-N 2.67Å |
| 505 | L | 98.4 | Very high | 96 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 119.6 | 169.7 | 179.6 | 59.8 | 0 | 0 | 0 | 110.2 | V409 I411 Y491 | V409-L505 HydrophobicContact CB-CD1 3.76Å; V409-L505 HydrophobicContact CG1-CD1 4.13Å; V409-L505 HydrophobicContact CG2-CD1 4.35Å; I411-L505 HydrophobicContact CG2-CD1 4.19Å; Y491-L505 HydrophobicContact CE1-CB 4.14Å; Y491-L505 HydrophobicContact CE1-CD2 4.14Å; Y491-L505 HydrophobicContact CE2-CB 4.41Å |
| 506 | L | 97.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -42.6 | 178.4 | -63.6 | -171.8 | 0 | 0 | 0 | 112.3 | L410 R412 T504 | L410-L506 HydrophobicContact CD2-CB 4.35Å; L410-L506 HydrophobicContact CD2-CD1 4.16Å; L410-L506 HydrophobicContact CG-CB 4.32Å; L410-L506 HydrophobicContact CG-CD1 4.26Å; L410-L506 WeakPolarHBondContact O-CB 3.46Å; L410-L506 PolarHBondContact O-N 3.45Å; R412-L506 HydrophobicContact CB-CD1 3.93Å; R412-L506 HydrophobicContact CB-CD2 3.83Å; R412-L506 HydrophobicContact CB-CG 3.8Å; T504-L506 PolarHBondContact O-N 2.67Å |
| 507 | K | 96.7 | Very high | 96.1 | Very high | 112 Ų | 112 | 45 Ų | 45 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 131.9 | -169.3 | 178.5 | 170.4 | 177.7 | -174.6 | 0 | 113.3 | F356 L410 | F356-K507 HydrophobicContact CD1-CD 4.22Å; F356-K507 HydrophobicContact CE1-CD 4.36Å; F356-K507 HydrophobicContact CE1-CG 4.19Å; L410-K507 HydrophobicContact CB-CB 4.2Å; L410-K507 PolarHBondContact N-O 2.85Å; L410-K507 PolarHBondContact O-N 3.46Å |
| 508 | H | 97.2 | Very high | 95.9 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.2 | 159.2 | -70.6 | -90.3 | 0 | 0 | 0 | 110 | E407 | E407-H508 VanDerWaalsContact OE1-C 3.23Å; E407-H508 WeakPolarHBondContact OE1-CA 3.33Å; E407-H508 WeakPolarHBondContact OE1-CB 3.26Å; E407-H508 IonicContact OE1-CG 2.8Å; E407-H508 IonicContact OE1-ND1 3.76Å; E407-H508 IonicContact OE2-CE1 3.14Å; E407-H508 IonicContact OE2-CG 2.79Å; E407-H508 IonicContact OE2-ND1 3.83Å; E407-H508 PolarHBondContact OE2-ND1 3.44Å |
| 509 | S | 96.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -27.5 | 172.5 | 68.6 | 0 | 0 | 0 | 0 | 112.8 | E407 I408 V511 | E407-S509 PolarHBondContact OE1-N 2.91Å; I408-S509 WeakPolarHBondContact O-CB 3.17Å; I408-S509 PolarHBondContact O-N 2.84Å; I408-S509 PolarHBondContact O-OG 3.35Å; S509-V511 WeakPolarHBondContact OG-CB 3.31Å; S509-V511 PolarHBondContact OG-N 2.85Å; S509-V511 PolarHBondContact OG-O 3.12Å |
| 510 | G | 95.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 69.8 | 31.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E407 | E407-G510 PolarHBondContact OE1-N 3.39Å |
| 511 | V | 96.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.1 | -174 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | L355 E407 I408 S509 E515 C516 R519 | L355-V511 HydrophobicContact CD1-CB 3.76Å; L355-V511 HydrophobicContact CD1-CG1 3.93Å; L355-V511 HydrophobicContact CD1-CG2 4.08Å; L355-V511 HydrophobicContact CD2-CB 4.4Å; L355-V511 HydrophobicContact CD2-CG1 4.18Å; L355-V511 HydrophobicContact CD2-CG2 4.02Å; E407-V511 WeakPolarHBondContact CA-O 3.28Å; E407-V511 WeakPolarHBondContact CG-O 3.42Å; I408-V511 PolarHBondContact N-O 2.93Å; S509-V511 WeakPolarHBondContact OG-CB 3.31Å; S509-V511 PolarHBondContact OG-N 2.85Å; S509-V511 PolarHBondContact OG-O 3.12Å; V511-E515 HydrophobicContact CG1-CB 3.47Å; V511-E515 VanDerWaalsContact CG1-CB 3.47Å; V511-C516 HydrophobicContact CG1-CB 4.44Å; V511-R519 VanDerWaalsContact CG2-NH1 3.27Å |
| 512 | T | 93.4 | Very high | 95.6 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 164 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | T405 S406 S514 E515 C516 | T405-T512 WeakPolarHBondContact O-CG2 3.37Å; S406-T512 CarbonylContact O-C 3.55Å; S406-T512 VanDerWaalsContact O-CA 3.29Å; S406-T512 WeakPolarHBondContact O-CA 3.39Å; T512-S514 VanDerWaalsContact C-N 3.29Å; T512-S514 PolarHBondContact O-N 3.04Å; T512-E515 PolarHBondContact O-N 3.26Å; T512-E515 WeakPolarHBondContact OG1-CB 3.44Å; T512-E515 WeakPolarHBondContact OG1-CG 3.44Å; T512-E515 PolarHBondContact OG1-N 2.83Å; T512-E515 VanDerWaalsContact OG1-N 3.15Å; T512-E515 PolarHBondContact OG1-OE1 3.23Å; T512-C516 WeakPolarHBondContact O-CB 3.08Å; T512-C516 PolarHBondContact O-N 3.25Å |
| 513 | E | 90.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 172.5 | -49.8 | -171.6 | 80.3 | 0 | 0 | 111.6 | T381 I402 F404 S406 I408 K487 C516 G517 | T381-E513 WeakPolarHBondContact CB-OE1 3.47Å; T381-E513 HydrophobicContact CG2-CB 4.4Å; T381-E513 WeakPolarHBondContact CG2-OE1 3.31Å; T381-E513 PolarHBondContact OG1-OE1 3.41Å; I402-E513 HydrophobicContact CG2-CB 3.48Å; I402-E513 VanDerWaalsContact CG2-CB 3.48Å; F404-E513 WeakPolarHBondContact CB-OE2 3.3Å; S406-E513 WeakPolarHBondContact O-CG 3.18Å; S406-E513 PolarHBondContact O-N 3.03Å; I408-E513 HydrophobicContact CD1-CG 4.09Å; K487-E513 HydrophobicContact CB-CG 4.4Å; K487-E513 HydrophobicContact CD-CG 4.25Å; K487-E513 WeakPolarHBondContact CD-OE1 3.4Å; K487-E513 VanDerWaalsContact CD-OE2 3.26Å; K487-E513 WeakPolarHBondContact CD-OE2 3.44Å; K487-E513 IonicContact NZ-OE1 3.62Å; K487-E513 PolarHBondContact NZ-OE1 2.62Å; K487-E513 IonicContact NZ-OE2 2.74Å; K487-E513 PolarHBondContact NZ-OE2 2.03Å; E513-C516 WeakPolarHBondContact O-CB 3.42Å; E513-C516 PolarHBondContact O-N 2.78Å; E513-G517 PolarHBondContact O-N 2.84Å; E513-G517 VanDerWaalsContact O-N 3.12Å |
| 514 | S | 89.8 | Confident | 95.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 174.7 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | I402 F404 T512 C516 G517 I518 | I402-S514 WeakPolarHBondContact O-CB 3.14Å; I402-S514 PolarHBondContact O-OG 2.77Å; F404-S514 PolarHBondContact O-N 3.09Å; F404-S514 PolarHBondContact O-OG 2.92Å; T512-S514 VanDerWaalsContact C-N 3.29Å; T512-S514 PolarHBondContact O-N 3.04Å; S514-C516 VanDerWaalsContact C-N 3.32Å; S514-C516 PolarHBondContact O-N 2.96Å; S514-G517 PolarHBondContact O-N 3.34Å; S514-I518 VanDerWaalsContact O-CG1 3.31Å; S514-I518 WeakPolarHBondContact O-CG1 3.15Å; S514-I518 PolarHBondContact O-N 3.35Å |
| 515 | E | 94 | Very high | 95.2 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 177.4 | -79.1 | -177.8 | -110.2 | 0 | 0 | 113.2 | V511 T512 G517 I518 R519 | V511-E515 HydrophobicContact CG1-CB 3.47Å; V511-E515 VanDerWaalsContact CG1-CB 3.47Å; T512-E515 PolarHBondContact O-N 3.26Å; T512-E515 WeakPolarHBondContact OG1-CB 3.44Å; T512-E515 WeakPolarHBondContact OG1-CG 3.44Å; T512-E515 PolarHBondContact OG1-N 2.83Å; T512-E515 VanDerWaalsContact OG1-N 3.15Å; T512-E515 PolarHBondContact OG1-OE1 3.23Å; E515-G517 VanDerWaalsContact C-N 3.32Å; E515-I518 PolarHBondContact O-N 3.45Å; E515-R519 WeakPolarHBondContact O-CB 3.33Å; E515-R519 VanDerWaalsContact O-CG 3.25Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 3.17Å; E515-R519 IonicContact OE2-CZ 3.68Å; E515-R519 IonicContact OE2-NE 3.72Å; E515-R519 IonicContact OE2-NH2 3.56Å; E515-R519 PolarHBondContact OE2-NH2 3.25Å |
| 516 | C | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | S352 L355 I408 V511 T512 E513 S514 Y520 | S352-C516 PolarHBondContact N-SG 2.95Å; L355-C516 HydrophobicContact CD1-CB 4.11Å; I408-C516 HydrophobicContact CG1-CB 4.04Å; V511-C516 HydrophobicContact CG1-CB 4.44Å; T512-C516 WeakPolarHBondContact O-CB 3.08Å; T512-C516 PolarHBondContact O-N 3.25Å; E513-C516 WeakPolarHBondContact O-CB 3.42Å; E513-C516 PolarHBondContact O-N 2.78Å; S514-C516 VanDerWaalsContact C-N 3.32Å; S514-C516 PolarHBondContact O-N 2.96Å; C516-Y520 WeakPolarHBondContact O-CB 3.48Å; C516-Y520 PolarHBondContact O-N 2.89Å |
| 517 | G | 93.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E513 S514 E515 R519 Y520 F521 | E513-G517 PolarHBondContact O-N 2.84Å; E513-G517 VanDerWaalsContact O-N 3.12Å; S514-G517 PolarHBondContact O-N 3.34Å; E515-G517 VanDerWaalsContact C-N 3.32Å; G517-R519 PolarHBondContact O-N 2.82Å; G517-Y520 PolarHBondContact O-N 3.03Å; G517-F521 WeakPolarHBondContact O-CD2 3.45Å; G517-F521 VanDerWaalsContact O-CG 3.3Å; G517-F521 WeakPolarHBondContact O-CG 3.33Å; G517-F521 PolarHBondContact O-N 3.09Å |
| 518 | I | 94.8 | Very high | 95 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.8 | -49.9 | 178.9 | -67.4 | 161 | 0 | 0 | 0 | 111.3 | I323 L395 A398 Y399 S514 E515 F521 Q522 | I323-I518 HydrophobicContact CB-CG2 4.48Å; I323-I518 HydrophobicContact CD1-CG1 4.29Å; I323-I518 HydrophobicContact CG2-CG2 4.11Å; L395-I518 HydrophobicContact CD1-CD1 3.46Å; L395-I518 VanDerWaalsContact CD1-CD1 3.46Å; L395-I518 HydrophobicContact CD1-CG1 4Å; A398-I518 HydrophobicContact CB-CD1 4.26Å; A398-I518 HydrophobicContact CB-CG1 3.47Å; A398-I518 VanDerWaalsContact CB-CG1 3.47Å; Y399-I518 HydrophobicContact CE2-CD1 4.28Å; S514-I518 VanDerWaalsContact O-CG1 3.31Å; S514-I518 WeakPolarHBondContact O-CG1 3.15Å; S514-I518 PolarHBondContact O-N 3.35Å; E515-I518 PolarHBondContact O-N 3.45Å; I518-F521 PolarHBondContact O-N 3.15Å; I518-Q522 VanDerWaalsContact O-CG 3.32Å; I518-Q522 WeakPolarHBondContact O-CG 3.44Å; I518-Q522 PolarHBondContact O-N 3.41Å |
| 519 | R | 95.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 40 Ų | 40 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | 179.9 | -67.4 | 171.5 | -165.8 | -156.5 | 9.4 | 111.1 | V511 E515 G517 F521 Q522 E523 | V511-R519 VanDerWaalsContact CG2-NH1 3.27Å; E515-R519 WeakPolarHBondContact O-CB 3.33Å; E515-R519 VanDerWaalsContact O-CG 3.25Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 3.17Å; E515-R519 IonicContact OE2-CZ 3.68Å; E515-R519 IonicContact OE2-NE 3.72Å; E515-R519 IonicContact OE2-NH2 3.56Å; E515-R519 PolarHBondContact OE2-NH2 3.25Å; G517-R519 PolarHBondContact O-N 2.82Å; R519-F521 VanDerWaalsContact C-N 3.32Å; R519-F521 PolarHBondContact O-N 2.86Å; R519-Q522 PolarHBondContact O-N 2.81Å; R519-Q522 VanDerWaalsContact O-N 3.15Å; R519-E523 WeakPolarHBondContact O-CB 3.49Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.17Å; R519-E523 PolarHBondContact O-N 2.85Å |
| 520 | Y | 95.7 | Very high | 94.6 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.5 | -46 | 175 | 179.7 | -89.4 | 0 | 0 | 0 | 112 | A347 D350 C516 G517 E523 N524 M529 | A347-Y520 HydrophobicContact CB-CD1 3.97Å; A347-Y520 HydrophobicContact CB-CE1 3.42Å; A347-Y520 VanDerWaalsContact CB-CE1 3.42Å; A347-Y520 WeakPolarHBondContact O-CD2 3.37Å; A347-Y520 WeakPolarHBondContact O-CE2 3.32Å; D350-Y520 HydrophobicContact CB-CE2 3.98Å; C516-Y520 WeakPolarHBondContact O-CB 3.48Å; C516-Y520 PolarHBondContact O-N 2.89Å; G517-Y520 PolarHBondContact O-N 3.03Å; Y520-E523 PolarHBondContact O-N 3.39Å; Y520-N524 WeakPolarHBondContact CD2-ND2 3.4Å; Y520-N524 HydrophobicContact CE1-CB 4.21Å; Y520-N524 HydrophobicContact CE2-CB 4.4Å; Y520-N524 VanDerWaalsContact O-CB 3.26Å; Y520-N524 WeakPolarHBondContact O-CB 3.37Å; Y520-N524 PolarHBondContact O-N 3.46Å; Y520-N524 PolarHBondContact O-ND2 2.74Å; Y520-M529 VanDerWaalsContact OH-CE 3.32Å; Y520-M529 WeakPolarHBondContact OH-CE 3.44Å |
| 521 | F | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.9 | -29.7 | 179.3 | -62.2 | -43.5 | 0 | 0 | 0 | 113.8 | I323 L330 L344 I348 L393 M401 G517 I518 R519 S525 V527 | I323-F521 HydrophobicContact CD1-CB 4.14Å; I323-F521 HydrophobicContact CD1-CD2 3.83Å; I323-F521 HydrophobicContact CD1-CG 4.44Å; I323-F521 HydrophobicContact CG1-CB 4.33Å; I323-F521 CarbonylContact O-C 3.59Å; L330-F521 HydrophobicContact CD1-CE1 4.26Å; L344-F521 HydrophobicContact CD1-CZ 3.81Å; I348-F521 HydrophobicContact CD1-CE2 4.48Å; I348-F521 HydrophobicContact CD1-CZ 4.13Å; L393-F521 HydrophobicContact CD1-CB 4.21Å; L393-F521 HydrophobicContact CD1-CD1 3.69Å; L393-F521 HydrophobicContact CD1-CD2 4.39Å; L393-F521 HydrophobicContact CD1-CE1 4.11Å; L393-F521 HydrophobicContact CD1-CG 3.85Å; M401-F521 HydrophobicContact CE-CD2 4.25Å; M401-F521 HydrophobicContact CE-CE2 3.4Å; M401-F521 VanDerWaalsContact CE-CE2 3.4Å; M401-F521 HydrophobicContact CE-CZ 3.74Å; M401-F521 HydrophobicContact SD-CE2 3.85Å; M401-F521 HydrophobicContact SD-CZ 3.66Å; G517-F521 WeakPolarHBondContact O-CD2 3.45Å; G517-F521 VanDerWaalsContact O-CG 3.3Å; G517-F521 WeakPolarHBondContact O-CG 3.33Å; G517-F521 PolarHBondContact O-N 3.09Å; I518-F521 PolarHBondContact O-N 3.15Å; R519-F521 VanDerWaalsContact C-N 3.32Å; R519-F521 PolarHBondContact O-N 2.86Å; F521-S525 WeakPolarHBondContact O-CB 3.05Å; F521-S525 PolarHBondContact O-N 3.31Å; F521-V527 HydrophobicContact CD1-CG2 3.73Å; F521-V527 HydrophobicContact CE1-CG2 4.32Å |
| 522 | Q | 97 | Very high | 94.2 | Very high | 109 Ų | 109 | 44.8 Ų | 44.8 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.9 | -45.2 | 172.4 | -73 | 170.3 | -11 | 0 | 0 | 111.8 | I323 I518 R519 | I323-Q522 HydrophobicContact CB-CG 4.25Å; I323-Q522 VanDerWaalsContact O-CA 3.26Å; I323-Q522 WeakPolarHBondContact O-CA 3.28Å; I323-Q522 WeakPolarHBondContact O-CG 3.39Å; I323-Q522 PolarHBondContact O-N 2.96Å; I518-Q522 VanDerWaalsContact O-CG 3.32Å; I518-Q522 WeakPolarHBondContact O-CG 3.44Å; I518-Q522 PolarHBondContact O-N 3.41Å; R519-Q522 PolarHBondContact O-N 2.81Å; R519-Q522 VanDerWaalsContact O-N 3.15Å |
| 523 | E | 95.6 | Very high | 94.1 | Very high | 111 Ų | 111 | 48.6 Ų | 48.6 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.1 | -27 | -175.5 | -68.1 | 166.3 | 161.7 | 0 | 0 | 112.6 | H354 R519 Y520 | H354-E523 IonicContact CD2-OE2 3.31Å; H354-E523 PolarHBondContact CD2-OE2 2.92Å; H354-E523 VanDerWaalsContact CD2-OE2 3.25Å; H354-E523 IonicContact NE2-OE2 2.85Å; R519-E523 WeakPolarHBondContact O-CB 3.49Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.17Å; R519-E523 PolarHBondContact O-N 2.85Å; Y520-E523 PolarHBondContact O-N 3.39Å |
| 524 | N | 95.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 33.6 | -175.7 | -57.7 | -96.7 | 0 | 0 | 0 | 112.8 | Y520 P526 V527 | Y520-N524 WeakPolarHBondContact CD2-ND2 3.4Å; Y520-N524 HydrophobicContact CE1-CB 4.21Å; Y520-N524 HydrophobicContact CE2-CB 4.4Å; Y520-N524 VanDerWaalsContact O-CB 3.26Å; Y520-N524 WeakPolarHBondContact O-CB 3.37Å; Y520-N524 PolarHBondContact O-N 3.46Å; Y520-N524 PolarHBondContact O-ND2 2.74Å; N524-P526 CarbonylContact O-C 3.39Å; N524-V527 VanDerWaalsContact O-CA 3.27Å; N524-V527 WeakPolarHBondContact O-CA 3.29Å; N524-V527 WeakPolarHBondContact O-CG2 3.42Å; N524-V527 PolarHBondContact O-N 3.28Å |
| 525 | S | 96.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 129.8 | 175.3 | -176 | 0 | 0 | 0 | 0 | 111.9 | S325 F521 | S325-S525 PolarHBondContact N-OG 3.32Å; S325-S525 VanDerWaalsContact N-OG 3.09Å; S325-S525 PolarHBondContact OG-OG 3.19Å; F521-S525 WeakPolarHBondContact O-CB 3.05Å; F521-S525 PolarHBondContact O-N 3.31Å |
| 526 | P | 96.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 31% | 0.312 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -76.3 | 135.8 | -5.1 | -16.1 | 32.7 | 0 | 0 | 0 | 112.9 | S325 Y327 N524 I528 | S325-P526 CarbonylContact O-C 3.59Å; S325-P526 WeakPolarHBondContact O-CA 3.25Å; S325-P526 WeakPolarHBondContact OG-CA 3.29Å; S325-P526 WeakPolarHBondContact OG-CB 3.5Å; Y327-P526 HydrophobicContact CD1-CB 3.79Å; Y327-P526 HydrophobicContact CD1-CG 4.32Å; Y327-P526 HydrophobicContact CD2-CB 3.84Å; Y327-P526 HydrophobicContact CD2-CG 4.23Å; Y327-P526 HydrophobicContact CE1-CB 3.85Å; Y327-P526 HydrophobicContact CE1-CG 3.86Å; Y327-P526 HydrophobicContact CE2-CB 3.91Å; Y327-P526 HydrophobicContact CE2-CG 3.76Å; Y327-P526 HydrophobicContact CG-CB 3.79Å; Y327-P526 HydrophobicContact CG-CG 4.5Å; N524-P526 CarbonylContact O-C 3.39Å; P526-I528 PolarHBondContact O-N 3.44Å |
| 527 | V | 96 | Very high | 94.3 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 133.4 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | S325 T326 Y327 L330 L393 F521 N524 M529 | S325-V527 WeakPolarHBondContact O-CG2 3.02Å; S325-V527 PolarHBondContact O-N 3.12Å; T326-V527 PolarHBondContact OG1-O 3.02Å; Y327-V527 PolarHBondContact N-O 3.29Å; L330-V527 HydrophobicContact CD2-CG1 4.1Å; L393-V527 HydrophobicContact CD1-CG2 4.19Å; F521-V527 HydrophobicContact CD1-CG2 3.73Å; F521-V527 HydrophobicContact CE1-CG2 4.32Å; N524-V527 VanDerWaalsContact O-CA 3.27Å; N524-V527 WeakPolarHBondContact O-CA 3.29Å; N524-V527 WeakPolarHBondContact O-CG2 3.42Å; N524-V527 PolarHBondContact O-N 3.28Å; V527-M529 HydrophobicContact CG1-CB 3.96Å |
| 528 | I | 95.5 | Very high | 93.9 | Very high | 130 Ų | 130 | 51.6 Ų | 51.6 | 67% | 0.667 | 27% | 0.271 | S | S | * | . | trans | -126.4 | 19.7 | 176.8 | 58.7 | 168.9 | 0 | 0 | 0 | 112.1 | Y327 P526 G530 | Y327-I528 HydrophobicContact CD2-CG2 4.42Å; P526-I528 PolarHBondContact O-N 3.44Å; I528-G530 PolarHBondContact O-N 2.87Å | ||
| 529 | M | 94.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | trans | -67 | 125.2 | -173.5 | -176.6 | 52.2 | 71.7 | 0 | 0 | 111.9 | V328 N343 N346 A347 D350 Y520 V527 Q532 | V328-M529 WeakPolarHBondContact CG2-O 3.39Å; N343-M529 HydrophobicContact CB-CG 4.36Å; N343-M529 WeakPolarHBondContact CB-O 3.42Å; N343-M529 PolarHBondContact ND2-O 3.29Å; N343-M529 WeakPolarHBondContact O-CG 3.42Å; N346-M529 HydrophobicContact CB-CE 4.46Å; N346-M529 HydrophobicContact CB-CG 3.77Å; N346-M529 HydrophobicContact CB-SD 3.62Å; A347-M529 HydrophobicContact CB-CB 4.32Å; A347-M529 HydrophobicContact CB-CG 4.1Å; D350-M529 WeakPolarHBondContact OD2-CE 3.48Å; Y520-M529 VanDerWaalsContact OH-CE 3.32Å; Y520-M529 WeakPolarHBondContact OH-CE 3.44Å; V527-M529 HydrophobicContact CG1-CB 3.96Å; M529-Q532 PolarHBondContact SD-NE2 2.98Å | ||
| 530 | G | 91.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | trans | -118.7 | -175.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | N346 I528 | N346-G530 PolarHBondContact ND2-O 2.93Å; I528-G530 PolarHBondContact O-N 2.87Å | ||
| 531 | I | 90.4 | Very high | 88.2 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | trans | -72.8 | 131.9 | 166.6 | -55.5 | -55 | 0 | 0 | 0 | 108.8 | E341 N343 | E341-I531 HydrophobicContact CB-CD1 4.26Å; E341-I531 HydrophobicContact CB-CG2 4.3Å; E341-I531 HydrophobicContact CG-CD1 4.16Å; E341-I531 HydrophobicContact CG-CG2 4.29Å; E341-I531 VanDerWaalsContact O-CD1 3.31Å; E341-I531 WeakPolarHBondContact O-CD1 3.43Å; N343-I531 HydrophobicContact CB-CD1 4.18Å | ||
| 532 | Q | 91.7 | Very high | 85.9 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | trans | -118 | -0.6 | -174.4 | -61.4 | -175.5 | 0.4 | 0 | 0 | 113.3 | E341 M529 R534 | E341-Q532 PolarHBondContact OE1-N 3.28Å; M529-Q532 PolarHBondContact SD-NE2 2.98Å; Q532-R534 HydrophobicContact CB-CG 4.13Å; Q532-R534 VanDerWaalsContact CD-NH2 3.34Å | ||
| 533 | N | 92.2 | Very high | 83.6 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 63.3 | 44 | -174.3 | -49.2 | -86.9 | 0 | 0 | 0 | 112.1 | E341 T536 | E341-N533 PolarHBondContact OE1-N 2.92Å; E341-N533 VanDerWaalsContact OE2-C 3.31Å; E341-N533 WeakPolarHBondContact OE2-CA 3.37Å; E341-N533 PolarHBondContact OE2-N 3.33Å; E341-N533 VanDerWaalsContact OE2-N 3.11Å; N533-T536 HydrophobicContact CB-CG2 4.15Å |
| 534 | R | 96.3 | Very high | 81.3 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -72.2 | -31 | 163.9 | -54.2 | -172.2 | -172 | 179.7 | -3.1 | 111.4 | E341 N346 D350 V441 R445 V446 Q532 | E341-R534 WeakPolarHBondContact OE2-CA 3.38Å; E341-R534 PolarHBondContact OE2-N 3.3Å; N346-R534 PolarHBondContact O-NH1 2.91Å; N346-R534 WeakPolarHBondContact OD1-CD 3.4Å; D350-R534 IonicContact OD1-CZ 3.07Å; D350-R534 IonicContact OD1-NH1 3.63Å; D350-R534 PolarHBondContact OD1-NH1 3.44Å; D350-R534 IonicContact OD1-NH2 3.83Å; D350-R534 PolarHBondContact OD1-NH2 2.87Å; D350-R534 IonicContact OD2-CZ 2.99Å; D350-R534 IonicContact OD2-NH1 2.56Å; D350-R534 IonicContact OD2-NH2 2.72Å; D350-R534 PolarHBondContact OD2-NH2 3.15Å; V441-R534 HydrophobicContact CG2-CB 3.86Å; V441-R534 WeakPolarHBondContact O-CD 3.37Å; V441-R534 PolarHBondContact O-NH1 2.78Å; R445-R534 CarbonylContact C-O 3.58Å; R445-R534 VanDerWaalsContact CA-O 3.27Å; R445-R534 WeakPolarHBondContact CA-O 3.4Å; V446-R534 PolarHBondContact N-O 3.41Å; Q532-R534 HydrophobicContact CB-CG 4.13Å; Q532-R534 VanDerWaalsContact CD-NH2 3.34Å |
| 535 | I | 95.9 | Very high | 78.8 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.3 | -177.9 | -50.9 | 169.5 | 0 | 0 | 0 | 109.3 | E341 F438 L439 V441 V446 Y448 | E341-I535 HydrophobicContact CB-CB 4.1Å; E341-I535 HydrophobicContact CB-CD1 4.5Å; E341-I535 PolarHBondContact OE2-N 3Å; F438-I535 HydrophobicContact CE1-CD1 4.02Å; F438-I535 HydrophobicContact CE1-CG2 4.17Å; F438-I535 HydrophobicContact CZ-CG2 3.78Å; L439-I535 WeakPolarHBondContact O-CD1 3.23Å; V441-I535 HydrophobicContact CG2-CD1 4.38Å; V441-I535 HydrophobicContact CG2-CG1 4.08Å; V446-I535 HydrophobicContact CG1-CB 4.2Å; V446-I535 HydrophobicContact CG1-CG1 4.09Å; V446-I535 HydrophobicContact CG1-CG2 3.88Å; Y448-I535 HydrophobicContact CD2-CG2 4.05Å; Y448-I535 HydrophobicContact CE2-CG2 3.77Å |
| 536 | T | 92.6 | Very high | 76.4 | Confident | 44 Ų | 44 | 54 Ų | 54 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.8 | -177.1 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | V446 V447 Y448 N533 | V446-T536 PolarHBondContact O-N 2.85Å; V446-T536 PolarHBondContact O-OG1 2.84Å; V447-T536 CarbonylContact C-O 3.51Å; V447-T536 WeakPolarHBondContact CA-O 3.3Å; Y448-T536 PolarHBondContact N-O 3.5Å; N533-T536 HydrophobicContact CB-CG2 4.15Å |
| 537 | F | 88.6 | Confident | 74.1 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.8 | 175.4 | -62.5 | -92.1 | 0 | 0 | 0 | 110.1 | I339 F429 F438 Y448 I450 | I339-F537 VanDerWaalsContact O-CE2 3.32Å; I339-F537 WeakPolarHBondContact O-CE2 3.45Å; I339-F537 WeakPolarHBondContact O-CZ 3.36Å; F429-F537 HydrophobicContact CE1-CE1 4.24Å; F429-F537 HydrophobicContact CE1-CZ 4.49Å; F429-F537 HydrophobicContact CE2-CE1 4.11Å; F429-F537 AromaticContact CE2-CZ 3.87Å; F429-F537 HydrophobicContact CE2-CZ 3.87Å; F429-F537 AromaticContact CZ-CE1 3.82Å; F429-F537 HydrophobicContact CZ-CE1 3.82Å; F429-F537 AromaticContact CZ-CZ 3.66Å; F429-F537 HydrophobicContact CZ-CZ 3.66Å; F438-F537 HydrophobicContact CE2-CE1 4.5Å; F438-F537 AromaticContact CE2-CZ 3.82Å; F438-F537 HydrophobicContact CE2-CZ 3.82Å; F438-F537 HydrophobicContact CZ-CE2 4.41Å; F438-F537 AromaticContact CZ-CZ 3.84Å; F438-F537 HydrophobicContact CZ-CZ 3.84Å; Y448-F537 HydrophobicContact CD2-CD1 4.27Å; Y448-F537 AromaticContact CD2-CE1 3.83Å; Y448-F537 HydrophobicContact CD2-CE1 3.83Å; Y448-F537 HydrophobicContact CD2-CZ 4.14Å; Y448-F537 HydrophobicContact CG-CD1 4.42Å; Y448-F537 HydrophobicContact CG-CE1 4.24Å; Y448-F537 CarbonylContact O-C 3.44Å; Y448-F537 WeakPolarHBondContact O-CA 3.43Å; I450-F537 HydrophobicContact CG2-CD1 3.96Å; I450-F537 HydrophobicContact CG2-CE1 3.92Å |
| 538 | V | 85.9 | Confident | 71.8 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | trans | -104.2 | 149.1 | 169.9 | -67.8 | 0 | 0 | 0 | 0 | 111 | V447 Y448 D449 K459 S540 | V447-V538 HydrophobicContact CG1-CB 4.45Å; V447-V538 HydrophobicContact CG1-CG1 3.54Å; V447-V538 HydrophobicContact CG1-CG2 4.2Å; Y448-V538 WeakPolarHBondContact O-CG2 3.4Å; Y448-V538 PolarHBondContact O-N 3.4Å; D449-V538 HydrophobicContact CB-CG2 3.83Å; K459-V538 HydrophobicContact CD-CG2 3.47Å; K459-V538 VanDerWaalsContact CD-CG2 3.47Å; V538-S540 PolarHBondContact O-N 2.89Å | ||
| 539 | N | 62.6 | Low | 69.5 | Low | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 50.9 | 21.9 | 165.5 | -168.6 | 48.9 | 0 | 0 | 0 | 114.8 | K541 K544 | N539-K541 PolarHBondContact O-N 2.68Å; N539-K544 PolarHBondContact OD1-NZ 2.86Å |
| 540 | S | 54.4 | Low | 67.2 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | trans | -60.3 | 136.2 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 108.2 | V538 Y542 H543 | V538-S540 PolarHBondContact O-N 2.89Å; S540-Y542 PolarHBondContact O-N 2.95Å; S540-H543 PolarHBondContact O-N 2.8Å; S540-H543 WeakPolarHBondContact OG-CB 3.45Å; S540-H543 PolarHBondContact OG-N 3.24Å | ||
| 541 | K | 47.9 | Very low | 64.9 | Low | 133 Ų | 133 | 63.2 Ų | 63.2 | 58% | 0.578 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -52 | -38.7 | 174.3 | -150.9 | 177.2 | 147.5 | -81.7 | 0 | 109.2 | N539 H543 K544 E545 | N539-K541 PolarHBondContact O-N 2.68Å; K541-H543 PolarHBondContact O-N 2.86Å; K541-K544 CarbonylContact O-C 3.57Å; K541-K544 WeakPolarHBondContact O-CA 3.3Å; K541-K544 WeakPolarHBondContact O-CB 3.36Å; K541-K544 PolarHBondContact O-N 3.25Å; K541-E545 WeakPolarHBondContact CE-OE1 3.39Å; K541-E545 VanDerWaalsContact CG-OE2 3.29Å; K541-E545 WeakPolarHBondContact CG-OE2 3.36Å; K541-E545 IonicContact NZ-OE1 3.06Å; K541-E545 PolarHBondContact NZ-OE1 3.04Å; K541-E545 IonicContact NZ-OE2 3.35Å; K541-E545 PolarHBondContact NZ-OE2 2.88Å; K541-E545 WeakPolarHBondContact O-CB 3.09Å; K541-E545 WeakPolarHBondContact O-CG 3.41Å; K541-E545 PolarHBondContact O-N 3.08Å |
| 542 | Y | 49.1 | Very low | 62.6 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 170 | -144.3 | -112.1 | 0 | 0 | 0 | 115.4 | Y431 S540 K544 E545 V546 F555 Y558 A561 | Y431-Y542 HydrophobicContact CD1-CD1 4.17Å; Y431-Y542 AromaticContact CD1-CE1 3.87Å; Y431-Y542 HydrophobicContact CD1-CE1 3.87Å; Y431-Y542 AromaticContact CD2-CD1 3.88Å; Y431-Y542 HydrophobicContact CD2-CD1 3.88Å; Y431-Y542 AromaticContact CD2-CD2 3.53Å; Y431-Y542 HydrophobicContact CD2-CD2 3.53Å; Y431-Y542 AromaticContact CD2-CE1 3.99Å; Y431-Y542 HydrophobicContact CD2-CE1 3.99Å; Y431-Y542 AromaticContact CD2-CE2 3.65Å; Y431-Y542 HydrophobicContact CD2-CE2 3.65Å; Y431-Y542 AromaticContact CD2-CG 3.64Å; Y431-Y542 HydrophobicContact CD2-CG 3.64Å; Y431-Y542 AromaticContact CD2-CZ 3.89Å; Y431-Y542 AromaticContact CE1-CD1 3.86Å; Y431-Y542 HydrophobicContact CE1-CD1 3.86Å; Y431-Y542 AromaticContact CE1-CE1 3.98Å; Y431-Y542 HydrophobicContact CE1-CE1 3.98Å; Y431-Y542 HydrophobicContact CE1-CG 4.46Å; Y431-Y542 VanDerWaalsContact CE2-CB 3.48Å; Y431-Y542 AromaticContact CE2-CD1 3.54Å; Y431-Y542 HydrophobicContact CE2-CD1 3.54Å; Y431-Y542 AromaticContact CE2-CD2 3.66Å; Y431-Y542 HydrophobicContact CE2-CD2 3.66Å; Y431-Y542 HydrophobicContact CE2-CE1 4.1Å; Y431-Y542 HydrophobicContact CE2-CE2 4.21Å; Y431-Y542 AromaticContact CE2-CG 3.29Å; Y431-Y542 HydrophobicContact CE2-CG 3.29Å; Y431-Y542 HydrophobicContact CG-CD1 4.19Å; Y431-Y542 HydrophobicContact CG-CD2 4.27Å; Y431-Y542 AromaticContact CG-CE1 3.88Å; Y431-Y542 HydrophobicContact CG-CE1 3.88Å; Y431-Y542 AromaticContact CG-CE2 3.97Å; Y431-Y542 HydrophobicContact CG-CE2 3.97Å; Y431-Y542 HydrophobicContact CG-CG 4.37Å; Y431-Y542 AromaticContact CG-CZ 3.77Å; Y431-Y542 AromaticContact CZ-CD1 3.51Å; Y431-Y542 AromaticContact CZ-CG 3.75Å; S540-Y542 PolarHBondContact O-N 2.95Å; Y542-K544 PolarHBondContact O-N 3.49Å; Y542-K544 VanDerWaalsContact O-N 3.11Å; Y542-E545 PolarHBondContact O-N 3.09Å; Y542-V546 HydrophobicContact CD1-CB 4.37Å; Y542-V546 HydrophobicContact CD1-CG2 3.7Å; Y542-V546 HydrophobicContact CD2-CG2 4.03Å; Y542-V546 HydrophobicContact CE1-CB 4.45Å; Y542-V546 HydrophobicContact CE1-CG2 3.52Å; Y542-V546 HydrophobicContact CE2-CG2 3.88Å; Y542-V546 HydrophobicContact CG-CG2 3.95Å; Y542-V546 WeakPolarHBondContact O-CA 3.25Å; Y542-V546 VanDerWaalsContact O-CB 3.27Å; Y542-V546 WeakPolarHBondContact O-CB 3.43Å; Y542-V546 PolarHBondContact O-N 3.28Å; Y542-F555 AromaticContact CE2-CD1 3.83Å; Y542-F555 HydrophobicContact CE2-CD1 3.83Å; Y542-F555 AromaticContact CE2-CE1 3.64Å; Y542-F555 HydrophobicContact CE2-CE1 3.64Å; Y542-F555 HydrophobicContact CE2-CZ 4.45Å; Y542-Y558 WeakPolarHBondContact OH-CB 3.31Å; Y542-A561 HydrophobicContact CE1-CB 3.92Å |
| 543 | H | 47.5 | Very low | 60.3 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -13.2 | 173.6 | -164.2 | -44.2 | 0 | 0 | 0 | 112.3 | S540 K541 C547 T569 | S540-H543 PolarHBondContact O-N 2.8Å; S540-H543 WeakPolarHBondContact OG-CB 3.45Å; S540-H543 PolarHBondContact OG-N 3.24Å; K541-H543 PolarHBondContact O-N 2.86Å; H543-C547 PolarHBondContact ND1-SG 2.95Å; H543-C547 VanDerWaalsContact ND1-SG 3.39Å; H543-C547 WeakPolarHBondContact O-CB 3.26Å; H543-T569 PolarHBondContact CE1-OG1 2.83Å |
| 544 | K | 47 | Very low | 57.9 | Low | 135 Ų | 135 | 66 Ų | 66 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -103.7 | -19.5 | 172.1 | -70.4 | 166.8 | 177.1 | 164.3 | 0 | 113.8 | N539 K541 Y542 G548 | N539-K544 PolarHBondContact OD1-NZ 2.86Å; K541-K544 CarbonylContact O-C 3.57Å; K541-K544 WeakPolarHBondContact O-CA 3.3Å; K541-K544 WeakPolarHBondContact O-CB 3.36Å; K541-K544 PolarHBondContact O-N 3.25Å; Y542-K544 PolarHBondContact O-N 3.49Å; Y542-K544 VanDerWaalsContact O-N 3.11Å; K544-G548 WeakPolarHBondContact O-CA 3.32Å |
| 545 | E | 43.6 | Very low | 55.2 | Low | 61 Ų | 61 | 67.4 Ų | 67.4 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -97.2 | -23.3 | 179 | -69.8 | 175.7 | 138.5 | 0 | 0 | 112.7 | K541 Y542 V551 | K541-E545 WeakPolarHBondContact CE-OE1 3.39Å; K541-E545 VanDerWaalsContact CG-OE2 3.29Å; K541-E545 WeakPolarHBondContact CG-OE2 3.36Å; K541-E545 IonicContact NZ-OE1 3.06Å; K541-E545 PolarHBondContact NZ-OE1 3.04Å; K541-E545 IonicContact NZ-OE2 3.35Å; K541-E545 PolarHBondContact NZ-OE2 2.88Å; K541-E545 WeakPolarHBondContact O-CB 3.09Å; K541-E545 WeakPolarHBondContact O-CG 3.41Å; K541-E545 PolarHBondContact O-N 3.08Å; Y542-E545 PolarHBondContact O-N 3.09Å; E545-V551 WeakPolarHBondContact O-CA 3.26Å |
| 546 | V | 46.6 | Very low | 52.5 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -61.6 | 169.8 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | Y542 G548 V551 F555 H562 | Y542-V546 HydrophobicContact CD1-CB 4.37Å; Y542-V546 HydrophobicContact CD1-CG2 3.7Å; Y542-V546 HydrophobicContact CD2-CG2 4.03Å; Y542-V546 HydrophobicContact CE1-CB 4.45Å; Y542-V546 HydrophobicContact CE1-CG2 3.52Å; Y542-V546 HydrophobicContact CE2-CG2 3.88Å; Y542-V546 HydrophobicContact CG-CG2 3.95Å; Y542-V546 WeakPolarHBondContact O-CA 3.25Å; Y542-V546 VanDerWaalsContact O-CB 3.27Å; Y542-V546 WeakPolarHBondContact O-CB 3.43Å; Y542-V546 PolarHBondContact O-N 3.28Å; V546-G548 PolarHBondContact O-N 2.72Å; V546-V551 WeakPolarHBondContact O-CG2 3.35Å; V546-F555 HydrophobicContact CG2-CB 4.47Å; V546-H562 HydrophobicContact CG1-CB 3.43Å; V546-H562 VanDerWaalsContact CG1-CB 3.43Å; V546-H562 VanDerWaalsContact CG1-CG 3.43Å; V546-H562 PolarHBondContact O-CE1 2.63Å; V546-H562 VanDerWaalsContact O-CE1 3.28Å; V546-H562 PolarHBondContact O-NE2 2.74Å; V546-H562 VanDerWaalsContact O-NE2 3.08Å |
| 547 | C | 47 | Very low | 50 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -75.5 | 14.6 | 180 | -38.5 | 0 | 0 | 0 | 0 | 114.9 | H543 C566 T569 | H543-C547 PolarHBondContact ND1-SG 2.95Å; H543-C547 VanDerWaalsContact ND1-SG 3.39Å; H543-C547 WeakPolarHBondContact O-CB 3.26Å; C547-C566 WeakPolarHBondContact CA-SG 3.44Å; C547-C566 HydrophobicContact CB-CB 3.61Å; C547-C566 WeakPolarHBondContact CB-SG 3.43Å; C547-C566 VanDerWaalsContact SG-CA 3.55Å; C547-C566 WeakPolarHBondContact SG-CB 3.48Å; C547-C566 CovalentContact SG-SG 2.02Å; C547-C566 PolarHBondContact SG-SG 2.8Å; C547-T569 HydrophobicContact CB-CG2 4.39Å |
| 548 | G | 48.2 | Very low | 47.8 | Very low | 21 Ų | 21 | 72.8 Ų | 72.8 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -112.2 | 156.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | K544 V546 R550 V551 | K544-G548 WeakPolarHBondContact O-CA 3.32Å; V546-G548 PolarHBondContact O-N 2.72Å; G548-R550 PolarHBondContact O-N 2.94Å; G548-V551 VanDerWaalsContact O-CG2 3.26Å; G548-V551 WeakPolarHBondContact O-CG2 3.2Å; G548-V551 PolarHBondContact O-N 3.43Å |
| 549 | T | 46.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 72.2 Ų | 72.2 | 73% | 0.73 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 11.1 | -172.1 | 55 | 0 | 0 | 0 | 0 | 116.5 | V571 | T549-V571 WeakPolarHBondContact CG2-OXT 3.15Š|
| 550 | R | 46.3 | Very low | 44.7 | Very low | 228 Ų | 228 | 71.4 Ų | 71.4 | 86% | 0.86 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | 50.7 | 178.5 | -68.9 | -169.4 | 175.4 | -171.3 | -1.2 | 112.2 | G548 P552 | G548-R550 PolarHBondContact O-N 2.94Å; R550-P552 VanDerWaalsContact O-CD 3.24Å; R550-P552 WeakPolarHBondContact O-CD 3.21Å |
| 551 | V | 42 | Very low | 44.1 | Very low | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | trans | -58.2 | 120.7 | 171.5 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | E545 V546 G548 F555 M556 | E545-V551 WeakPolarHBondContact O-CA 3.26Å; V546-V551 WeakPolarHBondContact O-CG2 3.35Å; G548-V551 VanDerWaalsContact O-CG2 3.26Å; G548-V551 WeakPolarHBondContact O-CG2 3.2Å; G548-V551 PolarHBondContact O-N 3.43Å; V551-F555 HydrophobicContact CG1-CB 3.61Å; V551-M556 HydrophobicContact CB-CG 4.29Å; V551-M556 HydrophobicContact CB-SD 4.09Å; V551-M556 HydrophobicContact CG1-CG 3.97Å; V551-M556 HydrophobicContact CG1-SD 4.12Å | ||
| 552 | P | 42.6 | Very low | 43.7 | Very low | 63 Ų | 63 | 68 Ų | 68 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | trans | -60.7 | 150.9 | 169.2 | -24.3 | 35.6 | 0 | 0 | 0 | 111.5 | R550 Y554 F555 M556 | R550-P552 VanDerWaalsContact O-CD 3.24Å; R550-P552 WeakPolarHBondContact O-CD 3.21Å; P552-Y554 PolarHBondContact O-N 3.19Å; P552-Y554 VanDerWaalsContact O-N 3.09Å; P552-F555 HydrophobicContact CB-CD2 4.11Å; P552-F555 HydrophobicContact CG-CD2 3.87Å; P552-F555 WeakPolarHBondContact O-CA 3.19Å; P552-F555 PolarHBondContact O-N 3.19Å; P552-M556 PolarHBondContact O-N 3.31Å | ||
| 553 | E | 42.7 | Very low | 43.4 | Very low | 181 Ų | 181 | 72.6 Ų | 72.6 | 85% | 0.846 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.2 | -173.9 | -164.9 | 164.6 | -146 | 0 | 0 | 113.7 | ||
| 554 | Y | 43.3 | Very low | 43.3 | Very low | 84 Ų | 84 | 71.8 Ų | 71.8 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -43.6 | 168.9 | -174.5 | -110.8 | 0 | 0 | 0 | 112.8 | E245 P552 M556 Q557 Y558 | E245-Y554 WeakPolarHBondContact O-CE2 3.31Å; E245-Y554 PolarHBondContact O-OH 3.2Å; P552-Y554 PolarHBondContact O-N 3.19Å; P552-Y554 VanDerWaalsContact O-N 3.09Å; Y554-M556 VanDerWaalsContact C-N 3.29Å; Y554-M556 PolarHBondContact O-N 3.15Å; Y554-Q557 VanDerWaalsContact O-CB 3.29Å; Y554-Q557 WeakPolarHBondContact O-CB 3.41Å; Y554-Q557 WeakPolarHBondContact O-CG 3.46Å; Y554-Q557 PolarHBondContact O-N 3.02Å; Y554-Y558 HydrophobicContact CD1-CE2 4.21Å; Y554-Y558 AromaticContact CE1-CE2 3.78Å; Y554-Y558 HydrophobicContact CE1-CE2 3.78Å; Y554-Y558 PolarHBondContact OH-OH 2.9Å |
| 555 | F | 38 | Very low | 43.2 | Very low | 35 Ų | 35 | 68.6 Ų | 68.6 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.6 | -179.2 | -71.4 | -57.7 | 0 | 0 | 0 | 114.1 | Y542 V546 V551 P552 Q557 Y558 | Y542-F555 AromaticContact CE2-CD1 3.83Å; Y542-F555 HydrophobicContact CE2-CD1 3.83Å; Y542-F555 AromaticContact CE2-CE1 3.64Å; Y542-F555 HydrophobicContact CE2-CE1 3.64Å; Y542-F555 HydrophobicContact CE2-CZ 4.45Å; V546-F555 HydrophobicContact CG2-CB 4.47Å; V551-F555 HydrophobicContact CG1-CB 3.61Å; P552-F555 HydrophobicContact CB-CD2 4.11Å; P552-F555 HydrophobicContact CG-CD2 3.87Å; P552-F555 WeakPolarHBondContact O-CA 3.19Å; P552-F555 PolarHBondContact O-N 3.19Å; F555-Q557 PolarHBondContact O-N 3.31Å; F555-Y558 AromaticContact CD1-CD2 3.88Å; F555-Y558 HydrophobicContact CD1-CD2 3.88Å; F555-Y558 HydrophobicContact CD1-CE2 4.3Å; F555-Y558 HydrophobicContact CE1-CD2 4.47Å; F555-Y558 PolarHBondContact O-N 2.64Å |
| 556 | M | 40.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 66.4 Ų | 66.4 | 58% | 0.576 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.5 | 167.7 | -71.8 | -75.2 | -71 | 0 | 0 | 112.9 | V551 P552 Y554 | V551-M556 HydrophobicContact CB-CG 4.29Å; V551-M556 HydrophobicContact CB-SD 4.09Å; V551-M556 HydrophobicContact CG1-CG 3.97Å; V551-M556 HydrophobicContact CG1-SD 4.12Å; P552-M556 PolarHBondContact O-N 3.31Å; Y554-M556 VanDerWaalsContact C-N 3.29Å; Y554-M556 PolarHBondContact O-N 3.15Å |
| 557 | Q | 40.2 | Very low | 43.2 | Very low | 73 Ų | 73 | 73.9 Ų | 73.9 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.6 | -35 | 178.1 | -59.3 | 177.1 | -30.5 | 0 | 0 | 111.7 | I243 Y554 F555 A559 | I243-Q557 HydrophobicContact CD1-CB 4.44Å; I243-Q557 WeakPolarHBondContact CD1-O 3.19Å; I243-Q557 HydrophobicContact CG2-CB 3.98Å; Y554-Q557 VanDerWaalsContact O-CB 3.29Å; Y554-Q557 WeakPolarHBondContact O-CB 3.41Å; Y554-Q557 WeakPolarHBondContact O-CG 3.46Å; Y554-Q557 PolarHBondContact O-N 3.02Å; F555-Q557 PolarHBondContact O-N 3.31Å; Q557-A559 PolarHBondContact O-N 3.4Å |
| 558 | Y | 42 | Very low | 42.9 | Very low | 10 Ų | 10 | 77.1 Ų | 77.1 | 4% | 0.039 | 40% | 0.398 | C | S | . | . | trans | -78.1 | 40.9 | 177.4 | -61.6 | -82.3 | 0 | 0 | 0 | 113.4 | E245 Y542 Y554 F555 Y560 A561 H562 | E245-Y558 PolarHBondContact OE2-OH 3.05Å; E245-Y558 VanDerWaalsContact OE2-OH 3.09Å; Y542-Y558 WeakPolarHBondContact OH-CB 3.31Å; Y554-Y558 HydrophobicContact CD1-CE2 4.21Å; Y554-Y558 AromaticContact CE1-CE2 3.78Å; Y554-Y558 HydrophobicContact CE1-CE2 3.78Å; Y554-Y558 PolarHBondContact OH-OH 2.9Å; F555-Y558 AromaticContact CD1-CD2 3.88Å; F555-Y558 HydrophobicContact CD1-CD2 3.88Å; F555-Y558 HydrophobicContact CD1-CE2 4.3Å; F555-Y558 HydrophobicContact CE1-CD2 4.47Å; F555-Y558 PolarHBondContact O-N 2.64Å; Y558-Y560 PolarHBondContact O-N 3.4Å; Y558-A561 PolarHBondContact O-N 3.07Å; Y558-H562 PolarHBondContact O-N 2.84Å | ||
| 559 | A | 40 | Very low | 42.5 | Very low | 27 Ų | 27 | 78.1 Ų | 78.1 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.5 | -9.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W14 L15 Q557 H562 L563 | W14-A559 HydrophobicContact CH2-CB 4.22Å; L15-A559 HydrophobicContact CD1-CB 4.19Å; Q557-A559 PolarHBondContact O-N 3.4Å; A559-H562 WeakPolarHBondContact O-CB 3.4Å; A559-H562 PolarHBondContact O-N 2.68Å; A559-L563 WeakPolarHBondContact O-CB 3.23Å; A559-L563 WeakPolarHBondContact O-CG 3.44Å; A559-L563 PolarHBondContact O-N 2.79Å |
| 560 | Y | 42.2 | Very low | 41.8 | Very low | 69 Ų | 69 | 78.2 Ų | 78.2 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78.1 | -48 | 178.1 | -165.7 | -131.9 | 0 | 0 | 0 | 111.1 | W14 D331 Y558 H562 L563 K564 | W14-Y560 AromaticContact CD1-CG 3.78Å; W14-Y560 AromaticContact CE2-CD2 3.7Å; W14-Y560 AromaticContact CE2-CG 3.8Å; W14-Y560 HydrophobicContact CZ2-CD2 4.19Å; W14-Y560 AromaticContact NE1-CD1 3.83Å; W14-Y560 AromaticContact NE1-CD2 3.06Å; W14-Y560 AromaticContact NE1-CE2 3.69Å; W14-Y560 AromaticContact NE1-CG 3.15Å; D331-Y560 PolarHBondContact OD2-OH 2.72Å; Y558-Y560 PolarHBondContact O-N 3.4Å; Y560-H562 PolarHBondContact O-N 3.25Å; Y560-L563 CarbonylContact O-C 3.4Å; Y560-L563 PolarHBondContact O-N 2.8Å; Y560-K564 HydrophobicContact CE1-CD 4.28Å; Y560-K564 VanDerWaalsContact O-CB 3.29Å; Y560-K564 WeakPolarHBondContact O-CB 3.49Å; Y560-K564 PolarHBondContact O-N 3.12Å |
| 561 | A | 41.9 | Very low | 41.2 | Very low | 12 Ų | 12 | 75.4 Ų | 75.4 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.1 | -38.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y542 Y558 L563 Y565 | Y542-A561 HydrophobicContact CE1-CB 3.92Å; Y558-A561 PolarHBondContact O-N 3.07Å; A561-L563 PolarHBondContact O-N 3.44Å; A561-Y565 HydrophobicContact CB-CD2 3.86Å; A561-Y565 HydrophobicContact CB-CE2 4.13Å; A561-Y565 WeakPolarHBondContact O-CB 3.11Å; A561-Y565 WeakPolarHBondContact O-CD2 3.1Å; A561-Y565 PolarHBondContact O-N 3.18Å |
| 562 | H | 40.5 | Very low | 41.1 | Very low | 56 Ų | 56 | 77.5 Ų | 77.5 | 26% | 0.259 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 175.3 | -152.1 | -25 | 0 | 0 | 0 | 113.8 | V546 Y558 A559 Y560 C566 | V546-H562 HydrophobicContact CG1-CB 3.43Å; V546-H562 VanDerWaalsContact CG1-CB 3.43Å; V546-H562 VanDerWaalsContact CG1-CG 3.43Å; V546-H562 PolarHBondContact O-CE1 2.63Å; V546-H562 VanDerWaalsContact O-CE1 3.28Å; V546-H562 PolarHBondContact O-NE2 2.74Å; V546-H562 VanDerWaalsContact O-NE2 3.08Å; Y558-H562 PolarHBondContact O-N 2.84Å; A559-H562 WeakPolarHBondContact O-CB 3.4Å; A559-H562 PolarHBondContact O-N 2.68Å; Y560-H562 PolarHBondContact O-N 3.25Å; H562-C566 PolarHBondContact ND1-SG 2.99Å; H562-C566 WeakPolarHBondContact O-CB 3.43Å; H562-C566 PolarHBondContact O-SG 3.44Å |
| 563 | L | 42.7 | Very low | 41.1 | Very low | 114 Ų | 114 | 78.3 Ų | 78.3 | 60% | 0.597 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -87.3 | -24.9 | 178.5 | -81.5 | 166 | 0 | 0 | 0 | 114.3 | A559 Y560 A561 Q567 | A559-L563 WeakPolarHBondContact O-CB 3.23Å; A559-L563 WeakPolarHBondContact O-CG 3.44Å; A559-L563 PolarHBondContact O-N 2.79Å; Y560-L563 CarbonylContact O-C 3.4Å; Y560-L563 PolarHBondContact O-N 2.8Å; A561-L563 PolarHBondContact O-N 3.44Å; L563-Q567 WeakPolarHBondContact O-CG 3.39Å; L563-Q567 PolarHBondContact O-NE2 3.16Å |
| 564 | K | 45.5 | Very low | 41 | Very low | 50 Ų | 50 | 72.6 Ų | 72.6 | 22% | 0.217 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -89.6 | -46.1 | -178.6 | -168.8 | -179.5 | -177.7 | -169 | 0 | 111.8 | S336 E341 Y560 | S336-K564 PolarHBondContact OG-NZ 2.68Å; E341-K564 PolarHBondContact O-NZ 3.33Å; Y560-K564 HydrophobicContact CE1-CD 4.28Å; Y560-K564 VanDerWaalsContact O-CB 3.29Å; Y560-K564 WeakPolarHBondContact O-CB 3.49Å; Y560-K564 PolarHBondContact O-N 3.12Å |
| 565 | Y | 44.7 | Very low | 40.8 | Very low | 68 Ų | 68 | 71.9 Ų | 71.9 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -90.7 | -26 | -175 | -60.9 | -62.9 | 0 | 0 | 0 | 114.4 | A561 Q567 | A561-Y565 HydrophobicContact CB-CD2 3.86Å; A561-Y565 HydrophobicContact CB-CE2 4.13Å; A561-Y565 WeakPolarHBondContact O-CB 3.11Å; A561-Y565 WeakPolarHBondContact O-CD2 3.1Å; A561-Y565 PolarHBondContact O-N 3.18Å; Y565-Q567 PolarHBondContact O-N 3.42Å |
| 566 | C | 46.7 | Very low | 41 | Very low | 15 Ų | 15 | 74.2 Ų | 74.2 | 10% | 0.101 | 42% | 0.417 | C | S | . | . | trans | -87.5 | 2.9 | -175.2 | -45.6 | 0 | 0 | 0 | 0 | 114.6 | C547 H562 G568 T569 | C547-C566 WeakPolarHBondContact CA-SG 3.44Å; C547-C566 HydrophobicContact CB-CB 3.61Å; C547-C566 WeakPolarHBondContact CB-SG 3.43Å; C547-C566 VanDerWaalsContact SG-CA 3.55Å; C547-C566 WeakPolarHBondContact SG-CB 3.48Å; C547-C566 CovalentContact SG-SG 2.02Å; C547-C566 PolarHBondContact SG-SG 2.8Å; H562-C566 PolarHBondContact ND1-SG 2.99Å; H562-C566 WeakPolarHBondContact O-CB 3.43Å; H562-C566 PolarHBondContact O-SG 3.44Å; C566-G568 PolarHBondContact O-N 3.04Å; C566-T569 VanDerWaalsContact O-CB 3.23Å; C566-T569 WeakPolarHBondContact O-CB 3.49Å; C566-T569 PolarHBondContact O-N 2.78Å; C566-T569 PolarHBondContact O-OG1 2.67Å | ||
| 567 | Q | 43.5 | Very low | 41 | Very low | 160 Ų | 160 | 71.3 Ų | 71.3 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 123.8 | -177.6 | -58.6 | -164.2 | 9.1 | 0 | 0 | 111.2 | L563 Y565 | L563-Q567 WeakPolarHBondContact O-CG 3.39Å; L563-Q567 PolarHBondContact O-NE2 3.16Å; Y565-Q567 PolarHBondContact O-N 3.42Å |
| 568 | G | 41.4 | Very low | 41.1 | Very low | 84 Ų | 84 | 71.2 Ų | 71.2 | 87% | 0.866 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C566 | C566-G568 PolarHBondContact O-N 3.04Š|
| 569 | T | 38.6 | Very low | 41 | Very low | 43 Ų | 43 | 75.9 Ų | 75.9 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | trans | -78.3 | 127.2 | 169.2 | -41.4 | 0 | 0 | 0 | 0 | 109.6 | H543 C547 C566 V571 | H543-T569 PolarHBondContact CE1-OG1 2.83Å; C547-T569 HydrophobicContact CB-CG2 4.39Å; C566-T569 VanDerWaalsContact O-CB 3.23Å; C566-T569 WeakPolarHBondContact O-CB 3.49Å; C566-T569 PolarHBondContact O-N 2.78Å; C566-T569 PolarHBondContact O-OG1 2.67Å; T569-V571 PolarHBondContact O-N 2.76Å | ||
| 570 | P | 32.2 | Very low | 41.1 | Very low | 121 Ų | 121 | 80 Ų | 80 | 79% | 0.786 | 46% | 0.458 | S | S | * | . | trans | -65.6 | 129.9 | 164.5 | -17.1 | 31.6 | 0 | 0 | 0 | 109.8 | ||||
| 571 | V | 33.6 | Very low | 41 | Very low | 168 Ų | 168 | 81 Ų | 81 | 100% | 1.018 | 48% | 0.475 | S | S | * | . | trans | -88.6 | 0 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | T549 T569 | T549-V571 WeakPolarHBondContact CG2-OXT 3.15Å; T569-V571 PolarHBondContact O-N 2.76Å |
Retrieved 571 of 571 residues in 263.1 ms
(Link to these results)