| 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 | 74.1 | Confident | 86.5 | Confident | 114 Ų | 114 | 55.2 Ų | 55.2 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | 0 | 132.7 | 0 | -169.9 | 179.3 | -79.4 | 0 | 0 | 105.5 | E171 A172 K173 Y187 K194 | M1-E171 HydrophobicContact CG-CB 3.96Å; M1-E171 HydrophobicContact SD-CB 3.98Å; M1-A172 CarbonylContact C-O 3.6Å; M1-A172 VanDerWaalsContact CA-O 3.24Å; M1-A172 WeakPolarHBondContact CA-O 3.35Å; M1-A172 WeakPolarHBondContact CG-O 3.42Å; M1-K173 HydrophobicContact CE-CB 3.98Å; M1-K173 HydrophobicContact CG-CB 4.38Å; M1-Y187 HydrophobicContact CE-CD2 3.42Å; M1-Y187 VanDerWaalsContact CE-CD2 3.42Å; M1-Y187 HydrophobicContact CE-CE2 3.28Å; M1-Y187 HydrophobicContact CE-CG 4.16Å; M1-Y187 HydrophobicContact SD-CD2 4.13Å; M1-K194 PolarHBondContact SD-NZ 3.03Å | |||
| 2 | F | 83.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.3 | -176.3 | 43.3 | -100 | 0 | 0 | 0 | 109 | V4 I19 F125 E171 A172 L174 | F2-V4 HydrophobicContact CD2-CG1 3.65Å; F2-V4 HydrophobicContact CE2-CG1 3.77Å; F2-I19 HydrophobicContact CB-CG2 4.12Å; F2-I19 HydrophobicContact CD2-CB 4.45Å; F2-I19 HydrophobicContact CD2-CG1 4.2Å; F2-I19 HydrophobicContact CD2-CG2 3.62Å; F2-I19 HydrophobicContact CE2-CD1 4.11Å; F2-I19 HydrophobicContact CE2-CG1 4.02Å; F2-I19 HydrophobicContact CE2-CG2 4.23Å; F2-I19 HydrophobicContact CG-CG2 3.95Å; F2-I19 HydrophobicContact CZ-CD1 4.45Å; F2-F125 AromaticContact CE2-CE2 3.94Å; F2-F125 HydrophobicContact CE2-CE2 3.94Å; F2-F125 AromaticContact CE2-CZ 3.78Å; F2-F125 HydrophobicContact CE2-CZ 3.78Å; F2-F125 HydrophobicContact CZ-CE2 4.44Å; F2-F125 HydrophobicContact CZ-CZ 4.19Å; F2-E171 CarbonylContact O-C 3.58Å; F2-E171 WeakPolarHBondContact O-CA 3.18Å; F2-A172 HydrophobicContact CD2-CB 4.17Å; F2-A172 HydrophobicContact CE2-CB 3.7Å; F2-A172 HydrophobicContact CZ-CB 4.29Å; F2-A172 PolarHBondContact N-O 3.17Å; F2-A172 PolarHBondContact O-N 3.04Å; F2-L174 HydrophobicContact CE1-CB 3.87Å; F2-L174 HydrophobicContact CZ-CB 4.08Å |
| 3 | E | 85.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 148.6 | 176.5 | -166.1 | -177.7 | 170.4 | 0 | 0 | 109.1 | K20 Q169 V170 | E3-K20 CarbonylContact C-O 3.54Å; E3-K20 HydrophobicContact CB-CB 4.01Å; E3-K20 WeakPolarHBondContact CB-O 3.49Å; E3-K20 HydrophobicContact CG-CB 4.34Å; E3-K20 PolarHBondContact N-O 3.24Å; E3-K20 VanDerWaalsContact N-O 3.08Å; E3-K20 WeakPolarHBondContact O-CA 3.33Å; E3-K20 PolarHBondContact O-N 3.45Å; E3-Q169 HydrophobicContact CG-CG 4.16Å; E3-V170 WeakPolarHBondContact CA-O 3.46Å; E3-V170 WeakPolarHBondContact CG-O 3.45Å |
| 4 | V | 89.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.6 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | F2 V17 I18 I19 F125 V170 A172 L186 | F2-V4 HydrophobicContact CD2-CG1 3.65Å; F2-V4 HydrophobicContact CE2-CG1 3.77Å; V4-V17 HydrophobicContact CB-CB 4.16Å; V4-V17 HydrophobicContact CB-CG2 4.22Å; V4-V17 HydrophobicContact CG1-CG2 4.17Å; V4-I18 CarbonylContact C-O 3.54Å; V4-I18 VanDerWaalsContact CA-O 3.27Å; V4-I18 WeakPolarHBondContact CA-O 3.29Å; V4-I19 HydrophobicContact CG1-CG1 4.38Å; V4-F125 HydrophobicContact CG1-CE2 4.05Å; V4-F125 HydrophobicContact CG1-CZ 4.38Å; V4-V170 HydrophobicContact CG2-CB 4.04Å; V4-V170 HydrophobicContact CG2-CG1 3.62Å; V4-V170 PolarHBondContact N-O 3.26Å; V4-A172 HydrophobicContact CG1-CB 3.86Å; V4-A172 HydrophobicContact CG2-CB 4.3Å; V4-L186 HydrophobicContact CG2-CD1 4.15Å |
| 5 | L | 87.3 | Confident | 87.5 | Confident | 75 Ų | 75 | 42.5 Ų | 42.5 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.5 | 169.5 | -178.8 | 72.8 | 0 | 0 | 0 | 108.9 | L7 V17 I18 K20 | L5-L7 HydrophobicContact CD2-CD2 4.46Å; L5-V17 CarbonylContact O-C 3.54Å; L5-V17 WeakPolarHBondContact O-CA 3.33Å; L5-V17 WeakPolarHBondContact O-CB 3.34Å; L5-I18 HydrophobicContact CB-CB 4.37Å; L5-I18 PolarHBondContact N-O 3.12Å; L5-I18 PolarHBondContact O-N 3.43Å; L5-K20 HydrophobicContact CB-CD 4.21Å |
| 6 | V | 88.8 | Confident | 87.7 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 22% | 0.218 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 110 | I9 V17 L164 V170 | V6-I9 HydrophobicContact CG1-CD1 3.95Å; V6-I9 HydrophobicContact CG1-CG1 3.62Å; V6-V17 HydrophobicContact CB-CG1 4.49Å; V6-V17 HydrophobicContact CG2-CG1 4.11Å; V6-L164 HydrophobicContact CG2-CD1 4.28Å; V6-V170 HydrophobicContact CG2-CG1 4.47Å |
| 7 | L | 86.8 | Confident | 87.9 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -51.4 | -178.3 | -65 | -179.7 | 0 | 0 | 0 | 112.5 | L5 W16 I18 A98 A122 | L5-L7 HydrophobicContact CD2-CD2 4.46Å; L7-W16 PolarHBondContact N-O 3.45Å; L7-I18 HydrophobicContact CD1-CD1 3.91Å; L7-I18 HydrophobicContact CD1-CG1 3.57Å; L7-I18 HydrophobicContact CD2-CD1 3.76Å; L7-I18 HydrophobicContact CD2-CG1 4.01Å; L7-I18 HydrophobicContact CG-CD1 4.16Å; L7-I18 HydrophobicContact CG-CG1 3.86Å; L7-A98 HydrophobicContact CB-CB 4.39Å; L7-A98 HydrophobicContact CD1-CB 4.22Å; L7-A122 HydrophobicContact CD1-CB 3.74Å |
| 8 | K | 87.4 | Confident | 87.9 | Confident | 66 Ų | 66 | 38 Ų | 38 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 136.7 | -176.2 | -176 | -174.3 | 176.3 | -155.1 | 0 | 109.2 | E10 F15 W16 A98 | K8-E10 IonicContact NZ-OE1 3.98Å; K8-E10 PolarHBondContact NZ-OE1 3.11Å; K8-F15 CarbonylContact O-C 3.58Å; K8-F15 WeakPolarHBondContact O-CA 3.47Å; K8-W16 HydrophobicContact CB-CB 4.29Å; K8-W16 PolarHBondContact N-O 3.03Å; K8-W16 PolarHBondContact O-N 2.94Å; K8-A98 HydrophobicContact CB-CB 4.38Å; K8-A98 VanDerWaalsContact CD-O 3.31Å; K8-A98 WeakPolarHBondContact CD-O 3.38Å |
| 9 | I | 89.6 | Confident | 87.6 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.9 | 175.3 | -62.1 | 167.8 | 0 | 0 | 0 | 107.2 | V6 F15 F160 Q161 L164 | V6-I9 HydrophobicContact CG1-CD1 3.95Å; V6-I9 HydrophobicContact CG1-CG1 3.62Å; I9-F15 HydrophobicContact CB-CB 4.47Å; I9-F15 HydrophobicContact CG1-CB 4.24Å; I9-F160 HydrophobicContact CD1-CD1 4.38Å; I9-F160 HydrophobicContact CD1-CE1 4.34Å; I9-F160 HydrophobicContact CG1-CE1 4.34Å; I9-F160 HydrophobicContact CG2-CD1 3.62Å; I9-F160 HydrophobicContact CG2-CE1 3.78Å; I9-Q161 HydrophobicContact CB-CG 4.09Å; I9-Q161 HydrophobicContact CD1-CG 4.01Å; I9-Q161 HydrophobicContact CG2-CG 3.82Å; I9-L164 HydrophobicContact CD1-CB 4.25Å; I9-L164 HydrophobicContact CD1-CD1 3.68Å; I9-L164 HydrophobicContact CG1-CD1 4.46Å |
| 10 | E | 87.6 | Confident | 87 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -56 | 168.3 | -57.7 | 179.2 | 176.7 | 0 | 0 | 108.2 | K8 C14 | K8-E10 IonicContact NZ-OE1 3.98Å; K8-E10 PolarHBondContact NZ-OE1 3.11Å; E10-C14 HydrophobicContact CB-CB 4.32Å; E10-C14 VanDerWaalsContact CB-O 3.31Å; E10-C14 WeakPolarHBondContact CB-O 3.32Å; E10-C14 PolarHBondContact N-O 2.7Å; E10-C14 PolarHBondContact OE2-SG 2.99Å |
| 11 | D | 90.5 | Very high | 85.6 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 174.1 | 170.3 | 62.4 | 57.9 | 0 | 0 | 0 | 110.2 | G13 C14 W152 I157 | D11-G13 PolarHBondContact O-N 3.03Å; D11-G13 VanDerWaalsContact O-N 3.15Å; D11-G13 VanDerWaalsContact OD1-C 3.25Å; D11-G13 WeakPolarHBondContact OD1-CA 3.32Å; D11-G13 PolarHBondContact OD1-N 2.82Å; D11-C14 PolarHBondContact N-O 3.38Å; D11-C14 VanDerWaalsContact N-O 3.08Å; D11-C14 CarbonylContact O-C 3.58Å; D11-C14 PolarHBondContact O-N 3.4Å; D11-C14 PolarHBondContact OD1-N 3.17Å; D11-W152 HydrophobicContact CB-CB 4.04Å; D11-W152 HydrophobicContact CB-CG 4.15Å; D11-I157 HydrophobicContact CB-CD1 3.9Å; D11-I157 HydrophobicContact CB-CG1 3.77Å |
| 12 | P | 90 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.3 | 178.2 | -21 | 31.6 | 0 | 0 | 0 | 114.4 | L127 W152 F160 L201 | P12-L127 HydrophobicContact CB-CD1 3.82Å; P12-L127 HydrophobicContact CB-CG 4.29Å; P12-L127 WeakPolarHBondContact O-CG 3.4Å; P12-L127 PolarHBondContact O-N 3.35Å; P12-L127 VanDerWaalsContact O-N 3.08Å; P12-W152 HydrophobicContact CB-CD2 4.05Å; P12-W152 HydrophobicContact CB-CE3 4.23Å; P12-W152 HydrophobicContact CB-CH2 3.75Å; P12-W152 HydrophobicContact CB-CZ2 3.61Å; P12-W152 HydrophobicContact CB-CZ3 4.08Å; P12-W152 HydrophobicContact CG-CD2 3.75Å; P12-W152 HydrophobicContact CG-CE3 3.69Å; P12-W152 HydrophobicContact CG-CG 4.36Å; P12-W152 HydrophobicContact CG-CH2 4.05Å; P12-W152 HydrophobicContact CG-CZ2 4.17Å; P12-W152 HydrophobicContact CG-CZ3 3.83Å; P12-F160 HydrophobicContact CB-CD1 4.32Å; P12-F160 HydrophobicContact CB-CD2 4.36Å; P12-F160 HydrophobicContact CB-CE1 4.4Å; P12-F160 HydrophobicContact CB-CE2 4.42Å; P12-F160 HydrophobicContact CB-CG 4.31Å; P12-F160 HydrophobicContact CB-CZ 4.44Å; P12-F160 HydrophobicContact CG-CB 3.94Å; P12-F160 HydrophobicContact CG-CD1 3.93Å; P12-F160 HydrophobicContact CG-CD2 4.25Å; P12-F160 HydrophobicContact CG-CE1 4.49Å; P12-F160 HydrophobicContact CG-CG 3.81Å; P12-L201 HydrophobicContact CB-CD1 4.04Å; P12-L201 HydrophobicContact CG-CD1 4.17Å |
| 13 | G | 88.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D11 R126 | D11-G13 PolarHBondContact O-N 3.03Å; D11-G13 VanDerWaalsContact O-N 3.15Å; D11-G13 VanDerWaalsContact OD1-C 3.25Å; D11-G13 WeakPolarHBondContact OD1-CA 3.32Å; D11-G13 PolarHBondContact OD1-N 2.82Å; G13-R126 WeakPolarHBondContact O-CB 3.31Å |
| 14 | C | 90.4 | Very high | 81.8 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 8% | 0.081 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 102.3 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | E10 D11 K124 | E10-C14 HydrophobicContact CB-CB 4.32Å; E10-C14 VanDerWaalsContact CB-O 3.31Å; E10-C14 WeakPolarHBondContact CB-O 3.32Å; E10-C14 PolarHBondContact N-O 2.7Å; E10-C14 PolarHBondContact OE2-SG 2.99Å; D11-C14 PolarHBondContact N-O 3.38Å; D11-C14 VanDerWaalsContact N-O 3.08Å; D11-C14 CarbonylContact O-C 3.58Å; D11-C14 PolarHBondContact O-N 3.4Å; D11-C14 PolarHBondContact OD1-N 3.17Å; C14-K124 WeakPolarHBondContact SG-CE 3.31Å |
| 15 | F | 92.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.1 | 173 | 59.9 | -83.9 | 0 | 0 | 0 | 110.7 | K8 I9 V17 F125 L127 F160 V184 L186 | K8-F15 CarbonylContact O-C 3.58Å; K8-F15 WeakPolarHBondContact O-CA 3.47Å; I9-F15 HydrophobicContact CB-CB 4.47Å; I9-F15 HydrophobicContact CG1-CB 4.24Å; F15-V17 HydrophobicContact CD2-CG1 3.65Å; F15-V17 HydrophobicContact CE2-CG1 3.8Å; F15-F125 HydrophobicContact CD1-CB 4.46Å; F15-F125 HydrophobicContact CD2-CB 3.81Å; F15-F125 HydrophobicContact CE1-CB 4.11Å; F15-F125 HydrophobicContact CE2-CB 3.4Å; F15-F125 VanDerWaalsContact CE2-CB 3.4Å; F15-F125 HydrophobicContact CE2-CD2 4.07Å; F15-F125 HydrophobicContact CE2-CG 4.16Å; F15-F125 HydrophobicContact CG-CB 4.32Å; F15-F125 HydrophobicContact CZ-CB 3.57Å; F15-F125 HydrophobicContact CZ-CD2 4.38Å; F15-F125 PolarHBondContact N-O 3.4Å; F15-F125 WeakPolarHBondContact O-CA 3.3Å; F15-F125 PolarHBondContact O-N 3.38Å; F15-L127 HydrophobicContact CE1-CD2 3.96Å; F15-L127 HydrophobicContact CE1-CG 4.14Å; F15-L127 HydrophobicContact CZ-CD2 4.01Å; F15-F160 HydrophobicContact CD1-CE1 4.1Å; F15-F160 AromaticContact CD1-CZ 3.99Å; F15-F160 HydrophobicContact CD1-CZ 3.99Å; F15-F160 HydrophobicContact CE1-CZ 4.02Å; F15-F160 HydrophobicContact CG-CE1 4.28Å; F15-F160 HydrophobicContact CG-CZ 4.34Å; F15-F160 HydrophobicContact CZ-CZ 4.4Å; F15-V184 HydrophobicContact CZ-CG2 4.21Å; F15-L186 HydrophobicContact CE2-CD1 4.42Å; F15-L186 HydrophobicContact CE2-CD2 4.23Å; F15-L186 HydrophobicContact CZ-CD2 4.13Å |
| 16 | W | 91.3 | Very high | 78.7 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.9 | -173.4 | -66.1 | 83.3 | 0 | 0 | 0 | 110.7 | L7 K8 F93 A98 A122 K123 K124 | L7-W16 PolarHBondContact N-O 3.45Å; K8-W16 HydrophobicContact CB-CB 4.29Å; K8-W16 PolarHBondContact N-O 3.03Å; K8-W16 PolarHBondContact O-N 2.94Å; W16-F93 HydrophobicContact CD2-CZ 4.25Å; W16-F93 AromaticContact CE2-CZ 3.95Å; W16-F93 HydrophobicContact CE3-CZ 4.28Å; W16-F93 AromaticContact CH2-CE1 3.91Å; W16-F93 HydrophobicContact CH2-CE1 3.91Å; W16-F93 AromaticContact CH2-CZ 3.76Å; W16-F93 HydrophobicContact CH2-CZ 3.76Å; W16-F93 HydrophobicContact CZ2-CE1 4.26Å; W16-F93 AromaticContact CZ2-CZ 3.71Å; W16-F93 HydrophobicContact CZ2-CZ 3.71Å; W16-F93 HydrophobicContact CZ3-CE1 4.23Å; W16-F93 HydrophobicContact CZ3-CZ 4.05Å; W16-A98 HydrophobicContact CB-CB 3.4Å; W16-A98 VanDerWaalsContact CB-CB 3.4Å; W16-A98 HydrophobicContact CD2-CB 3.79Å; W16-A98 HydrophobicContact CE3-CB 4.06Å; W16-A98 HydrophobicContact CG-CB 3.52Å; W16-A122 HydrophobicContact CE3-CB 4.02Å; W16-K123 WeakPolarHBondContact CA-O 3.28Å; W16-K124 HydrophobicContact CD2-CB 4.23Å; W16-K124 HydrophobicContact CD2-CG 4.43Å; W16-K124 HydrophobicContact CE3-CB 4.05Å; W16-K124 HydrophobicContact CH2-CB 3.89Å; W16-K124 HydrophobicContact CH2-CD 4.37Å; W16-K124 HydrophobicContact CH2-CG 4.35Å; W16-K124 HydrophobicContact CZ2-CB 4.06Å; W16-K124 HydrophobicContact CZ2-CD 4.02Å; W16-K124 HydrophobicContact CZ2-CG 4.02Å; W16-K124 HydrophobicContact CZ3-CB 3.88Å |
| 17 | V | 90.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 164 | -176.7 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | V4 L5 V6 F15 K123 F125 | V4-V17 HydrophobicContact CB-CB 4.16Å; V4-V17 HydrophobicContact CB-CG2 4.22Å; V4-V17 HydrophobicContact CG1-CG2 4.17Å; L5-V17 CarbonylContact O-C 3.54Å; L5-V17 WeakPolarHBondContact O-CA 3.33Å; L5-V17 WeakPolarHBondContact O-CB 3.34Å; V6-V17 HydrophobicContact CB-CG1 4.49Å; V6-V17 HydrophobicContact CG2-CG1 4.11Å; F15-V17 HydrophobicContact CD2-CG1 3.65Å; F15-V17 HydrophobicContact CE2-CG1 3.8Å; V17-K123 PolarHBondContact N-O 3.35Å; V17-K123 PolarHBondContact O-N 3.22Å; V17-F125 HydrophobicContact CG1-CD2 4.31Å; V17-F125 HydrophobicContact CG1-CG 4.31Å; V17-F125 HydrophobicContact CG2-CD1 3.44Å; V17-F125 VanDerWaalsContact CG2-CD1 3.44Å; V17-F125 HydrophobicContact CG2-CD2 3.69Å; V17-F125 HydrophobicContact CG2-CE1 3.38Å; V17-F125 HydrophobicContact CG2-CE2 3.62Å; V17-F125 HydrophobicContact CG2-CG 3.64Å; V17-F125 HydrophobicContact CG2-CZ 3.48Å; V17-F125 VanDerWaalsContact CG2-CZ 3.48Å |
| 18 | I | 87.6 | Confident | 76.1 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.3 | 164.3 | -56.9 | 179.3 | 0 | 0 | 0 | 107.8 | V4 L5 L7 R121 | V4-I18 CarbonylContact C-O 3.54Å; V4-I18 VanDerWaalsContact CA-O 3.27Å; V4-I18 WeakPolarHBondContact CA-O 3.29Å; L5-I18 HydrophobicContact CB-CB 4.37Å; L5-I18 PolarHBondContact N-O 3.12Å; L5-I18 PolarHBondContact O-N 3.43Å; L7-I18 HydrophobicContact CD1-CD1 3.91Å; L7-I18 HydrophobicContact CD1-CG1 3.57Å; L7-I18 HydrophobicContact CD2-CD1 3.76Å; L7-I18 HydrophobicContact CD2-CG1 4.01Å; L7-I18 HydrophobicContact CG-CD1 4.16Å; L7-I18 HydrophobicContact CG-CG1 3.86Å; I18-R121 HydrophobicContact CD1-CG 4.26Å; I18-R121 HydrophobicContact CG1-CG 4.34Å; I18-R121 HydrophobicContact CG2-CG 4.15Å |
| 19 | I | 83.8 | Confident | 75.4 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.8 | 178.2 | -60.1 | 172 | 0 | 0 | 0 | 109.5 | F2 V4 F25 K123 F125 | F2-I19 HydrophobicContact CB-CG2 4.12Å; F2-I19 HydrophobicContact CD2-CB 4.45Å; F2-I19 HydrophobicContact CD2-CG1 4.2Å; F2-I19 HydrophobicContact CD2-CG2 3.62Å; F2-I19 HydrophobicContact CE2-CD1 4.11Å; F2-I19 HydrophobicContact CE2-CG1 4.02Å; F2-I19 HydrophobicContact CE2-CG2 4.23Å; F2-I19 HydrophobicContact CG-CG2 3.95Å; F2-I19 HydrophobicContact CZ-CD1 4.45Å; V4-I19 HydrophobicContact CG1-CG1 4.38Å; I19-F25 HydrophobicContact CB-CD1 4.39Å; I19-F25 HydrophobicContact CD1-CE1 4.11Å; I19-F25 HydrophobicContact CD1-CZ 4.25Å; I19-F25 HydrophobicContact CG2-CD1 4.3Å; I19-F25 HydrophobicContact CG2-CD2 4.29Å; I19-F25 HydrophobicContact CG2-CG 4.14Å; I19-K123 HydrophobicContact CD1-CG 4.47Å; I19-F125 HydrophobicContact CD1-CE1 4.41Å; I19-F125 HydrophobicContact CD1-CZ 4.11Å; I19-F125 HydrophobicContact CG1-CZ 4.06Å |
| 20 | K | 75 | Confident | 74.8 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.6 | 179 | -70.7 | -175.4 | 171.6 | -178.8 | 0 | 110.8 | E3 L5 | E3-K20 CarbonylContact C-O 3.54Å; E3-K20 HydrophobicContact CB-CB 4.01Å; E3-K20 WeakPolarHBondContact CB-O 3.49Å; E3-K20 HydrophobicContact CG-CB 4.34Å; E3-K20 PolarHBondContact N-O 3.24Å; E3-K20 VanDerWaalsContact N-O 3.08Å; E3-K20 WeakPolarHBondContact O-CA 3.33Å; E3-K20 PolarHBondContact O-N 3.45Å; L5-K20 HydrophobicContact CB-CD 4.21Å |
| 21 | G | 58.2 | Low | 74.4 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 82 | 26.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 22 | C | 55.3 | Low | 74.2 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 35% | 0.345 | 29% | 0.289 | S | S | . | . | trans | -123.7 | 138.7 | 169.4 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | H24 F25 L26 | C22-H24 VanDerWaalsContact C-N 3.32Å; C22-H24 PolarHBondContact O-N 3.2Å; C22-F25 HydrophobicContact CB-CD2 3.87Å; C22-F25 WeakPolarHBondContact O-CA 3.3Å; C22-F25 PolarHBondContact O-N 3.27Å; C22-L26 PolarHBondContact O-N 3.41Å; C22-L26 VanDerWaalsContact O-N 3.08Å | ||
| 23 | S | 51.2 | Low | 73.9 | Confident | 93 Ų | 93 | 58 Ų | 58 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -53.2 | -41.3 | -167.8 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | F25 | S23-F25 VanDerWaalsContact C-N 3.32Å; S23-F25 PolarHBondContact O-N 2.62Å |
| 24 | H | 56.4 | Low | 73.7 | Confident | 144 Ų | 144 | 63.2 Ų | 63.2 | 67% | 0.667 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.4 | -23.6 | 174.5 | -96.4 | -66.1 | 0 | 0 | 0 | 115.1 | C22 | C22-H24 VanDerWaalsContact C-N 3.32Å; C22-H24 PolarHBondContact O-N 3.2Å |
| 25 | F | 56.5 | Low | 73.6 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -95.3 | -20.4 | -178.2 | -69.4 | -85.9 | 0 | 0 | 0 | 112.8 | I19 C22 S23 Q28 E29 | I19-F25 HydrophobicContact CB-CD1 4.39Å; I19-F25 HydrophobicContact CD1-CE1 4.11Å; I19-F25 HydrophobicContact CD1-CZ 4.25Å; I19-F25 HydrophobicContact CG2-CD1 4.3Å; I19-F25 HydrophobicContact CG2-CD2 4.29Å; I19-F25 HydrophobicContact CG2-CG 4.14Å; C22-F25 HydrophobicContact CB-CD2 3.87Å; C22-F25 WeakPolarHBondContact O-CA 3.3Å; C22-F25 PolarHBondContact O-N 3.27Å; S23-F25 VanDerWaalsContact C-N 3.32Å; S23-F25 PolarHBondContact O-N 2.62Å; F25-Q28 VanDerWaalsContact CD1-OE1 3.23Å; F25-Q28 WeakPolarHBondContact O-CB 3.4Å; F25-Q28 PolarHBondContact O-N 2.98Å; F25-E29 PolarHBondContact O-N 3.07Å; F25-E29 VanDerWaalsContact O-N 3.1Å |
| 26 | L | 55.2 | Low | 73.3 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 173.7 | -78.7 | 160.5 | 0 | 0 | 0 | 111.9 | C22 Q28 E29 V30 | C22-L26 PolarHBondContact O-N 3.41Å; C22-L26 VanDerWaalsContact O-N 3.08Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.07Å; L26-E29 PolarHBondContact O-N 3.13Å; L26-V30 PolarHBondContact O-N 3.14Å |
| 27 | E | 56.5 | Low | 73.1 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 170.8 | -70.3 | 179.5 | 165.9 | 0 | 0 | 110.8 | E29 V30 D31 | E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.07Å; E27-V30 PolarHBondContact O-N 3.13Å; E27-D31 WeakPolarHBondContact O-CB 3.42Å; E27-D31 VanDerWaalsContact O-CG 3.28Å; E27-D31 PolarHBondContact O-N 2.88Å |
| 28 | Q | 64.4 | Low | 73 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -32.7 | 176.8 | -120.1 | 174.7 | 13.1 | 0 | 0 | 114.1 | F25 L26 Y32 P119 | F25-Q28 VanDerWaalsContact CD1-OE1 3.23Å; F25-Q28 WeakPolarHBondContact O-CB 3.4Å; F25-Q28 PolarHBondContact O-N 2.98Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.07Å; Q28-Y32 WeakPolarHBondContact O-CB 3.47Å; Q28-Y32 PolarHBondContact O-N 2.98Å; Q28-P119 VanDerWaalsContact NE2-CG 3.28Å |
| 29 | E | 72 | Confident | 73.1 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.5 | -39.3 | 178.2 | -175 | 65.5 | -158.1 | 0 | 0 | 111.5 | F25 L26 E27 Y32 Q33 R121 | F25-E29 PolarHBondContact O-N 3.07Å; F25-E29 VanDerWaalsContact O-N 3.1Å; L26-E29 PolarHBondContact O-N 3.13Å; E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.07Å; E29-Y32 PolarHBondContact O-N 2.82Å; E29-Q33 VanDerWaalsContact O-CG 3.31Å; E29-Q33 WeakPolarHBondContact O-CG 3.31Å; E29-Q33 PolarHBondContact O-N 3.48Å; E29-R121 VanDerWaalsContact CD-NH2 3.33Å; E29-R121 IonicContact OE1-CZ 3.67Å; E29-R121 IonicContact OE1-NE 3.11Å; E29-R121 IonicContact OE1-NH2 3.71Å; E29-R121 PolarHBondContact OE1-NH2 3.04Å; E29-R121 IonicContact OE2-CZ 3.09Å; E29-R121 IonicContact OE2-NE 3.69Å; E29-R121 PolarHBondContact OE2-NE 2.78Å; E29-R121 IonicContact OE2-NH2 3.76Å; E29-R121 PolarHBondContact OE2-NH2 3.37Å |
| 30 | V | 76.9 | Confident | 73.3 | Confident | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | L26 E27 Q33 K34 | L26-V30 PolarHBondContact O-N 3.14Å; E27-V30 PolarHBondContact O-N 3.13Å; V30-Q33 PolarHBondContact O-N 3.39Å; V30-K34 WeakPolarHBondContact O-CG 3.46Å; V30-K34 PolarHBondContact O-N 3.43Å |
| 31 | D | 80.8 | Confident | 73.9 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.1 | -34.1 | 177.8 | -68.1 | -24.2 | 0 | 0 | 0 | 112.3 | E27 K34 L35 L118 | E27-D31 WeakPolarHBondContact O-CB 3.42Å; E27-D31 VanDerWaalsContact O-CG 3.28Å; E27-D31 PolarHBondContact O-N 2.88Å; D31-K34 PolarHBondContact O-N 3.43Å; D31-K34 IonicContact OD1-NZ 3.79Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; D31-K34 VanDerWaalsContact OD1-NZ 3.11Å; D31-L35 VanDerWaalsContact O-CB 3.28Å; D31-L35 WeakPolarHBondContact O-CB 3.4Å; D31-L35 PolarHBondContact O-N 2.89Å; D31-L118 HydrophobicContact CB-CD1 4.29Å |
| 32 | Y | 84.8 | Confident | 75.3 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 168.8 | 176.8 | -94.7 | 0 | 0 | 0 | 111.6 | Q28 E29 L35 N36 D96 R121 | Q28-Y32 WeakPolarHBondContact O-CB 3.47Å; Q28-Y32 PolarHBondContact O-N 2.98Å; E29-Y32 PolarHBondContact O-N 2.82Å; Y32-L35 PolarHBondContact O-N 3.1Å; Y32-N36 HydrophobicContact CE1-CB 4.17Å; Y32-N36 WeakPolarHBondContact O-CB 3.37Å; Y32-N36 PolarHBondContact O-N 3.29Å; Y32-D96 HydrophobicContact CE2-CB 3.99Å; Y32-D96 WeakPolarHBondContact OH-CB 3.41Å; Y32-R121 HydrophobicContact CD2-CB 4.44Å; Y32-R121 HydrophobicContact CE2-CB 4.33Å |
| 33 | Q | 83.9 | Confident | 76.7 | Confident | 109 Ų | 109 | 68 Ų | 68 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.4 | -74.9 | 175.6 | 10.3 | 0 | 0 | 111.5 | E29 V30 N36 T37 | E29-Q33 VanDerWaalsContact O-CG 3.31Å; E29-Q33 WeakPolarHBondContact O-CG 3.31Å; E29-Q33 PolarHBondContact O-N 3.48Å; V30-Q33 PolarHBondContact O-N 3.39Å; Q33-N36 PolarHBondContact O-N 3.38Å; Q33-T37 WeakPolarHBondContact O-CB 3.26Å; Q33-T37 PolarHBondContact O-N 3.25Å; Q33-T37 PolarHBondContact O-OG1 3.43Å |
| 34 | K | 85.6 | Confident | 78.3 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.8 | -69.4 | 172.6 | -168.3 | 156.3 | 0 | 111.9 | V30 D31 T37 A38 | V30-K34 WeakPolarHBondContact O-CG 3.46Å; V30-K34 PolarHBondContact O-N 3.43Å; D31-K34 PolarHBondContact O-N 3.43Å; D31-K34 IonicContact OD1-NZ 3.79Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; D31-K34 VanDerWaalsContact OD1-NZ 3.11Å; K34-T37 PolarHBondContact O-N 3.21Å; K34-A38 VanDerWaalsContact O-CB 3.29Å; K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 2.93Å |
| 35 | L | 87.8 | Confident | 79.4 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 176.4 | -176.2 | 92.3 | 0 | 0 | 0 | 110.9 | D31 Y32 T37 A38 M39 F115 L118 | D31-L35 VanDerWaalsContact O-CB 3.28Å; D31-L35 WeakPolarHBondContact O-CB 3.4Å; D31-L35 PolarHBondContact O-N 2.89Å; Y32-L35 PolarHBondContact O-N 3.1Å; L35-T37 PolarHBondContact O-N 3.22Å; L35-A38 PolarHBondContact O-N 3.22Å; L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 2.88Å; L35-F115 HydrophobicContact CD1-CB 4.47Å; L35-F115 HydrophobicContact CD1-CD1 4.12Å; L35-L118 HydrophobicContact CB-CD1 3.81Å; L35-L118 HydrophobicContact CD1-CD1 4.09Å; L35-L118 HydrophobicContact CD1-CG 4.48Å; L35-L118 HydrophobicContact CD2-CB 4.28Å; L35-L118 HydrophobicContact CD2-CD1 3.94Å; L35-L118 HydrophobicContact CG-CD1 4.15Å |
| 36 | N | 85.9 | Confident | 79.9 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -176.8 | -173.8 | 56.5 | 0 | 0 | 0 | 111.1 | Y32 Q33 N40 | Y32-N36 HydrophobicContact CE1-CB 4.17Å; Y32-N36 WeakPolarHBondContact O-CB 3.37Å; Y32-N36 PolarHBondContact O-N 3.29Å; Q33-N36 PolarHBondContact O-N 3.38Å; N36-N40 VanDerWaalsContact O-CB 3.27Å; N36-N40 WeakPolarHBondContact O-CB 3.44Å; N36-N40 PolarHBondContact O-N 2.85Å; N36-N40 PolarHBondContact O-ND2 3.3Å; N36-N40 PolarHBondContact OD1-ND2 3.11Å; N36-N40 VanDerWaalsContact OD1-ND2 3.15Å |
| 37 | T | 87.1 | Confident | 80 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -52.8 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | Q33 K34 L35 M39 N40 D41 | Q33-T37 WeakPolarHBondContact O-CB 3.26Å; Q33-T37 PolarHBondContact O-N 3.25Å; Q33-T37 PolarHBondContact O-OG1 3.43Å; K34-T37 PolarHBondContact O-N 3.21Å; L35-T37 PolarHBondContact O-N 3.22Å; T37-M39 VanDerWaalsContact C-N 3.33Å; T37-M39 PolarHBondContact O-N 3.34Å; T37-N40 PolarHBondContact O-N 2.97Å; T37-N40 VanDerWaalsContact O-N 3.16Å; T37-D41 WeakPolarHBondContact O-CB 3.3Å; T37-D41 VanDerWaalsContact O-CG 3.28Å; T37-D41 PolarHBondContact O-N 3.28Å |
| 38 | A | 87.5 | Confident | 80 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K34 L35 F42 F115 | K34-A38 VanDerWaalsContact O-CB 3.29Å; K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 2.93Å; L35-A38 PolarHBondContact O-N 3.22Å; A38-F42 VanDerWaalsContact O-CB 3.27Å; A38-F42 WeakPolarHBondContact O-CB 3.49Å; A38-F42 PolarHBondContact O-N 3.39Å; A38-F115 HydrophobicContact CB-CE1 4.42Å |
| 39 | M | 89.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.7 | -177.7 | -176.2 | 65.4 | 0 | 0 | 110.9 | L35 T37 F42 Y43 V64 W73 R75 F115 | L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 2.88Å; T37-M39 VanDerWaalsContact C-N 3.33Å; T37-M39 PolarHBondContact O-N 3.34Å; M39-F42 PolarHBondContact O-N 2.83Å; M39-Y43 HydrophobicContact CG-CD2 3.65Å; M39-Y43 HydrophobicContact CG-CE2 3.69Å; M39-Y43 VanDerWaalsContact O-CD2 3.24Å; M39-Y43 WeakPolarHBondContact O-CD2 3.19Å; M39-Y43 PolarHBondContact O-N 2.8Å; M39-V64 HydrophobicContact SD-CG1 4.18Å; M39-V64 HydrophobicContact SD-CG2 4.28Å; M39-W73 WeakPolarHBondContact CE-O 3.35Å; M39-R75 HydrophobicContact CE-CG 4.35Å; M39-R75 HydrophobicContact SD-CG 3.86Å; M39-F115 HydrophobicContact CB-CD1 3.85Å; M39-F115 HydrophobicContact CB-CD2 4.28Å; M39-F115 HydrophobicContact CB-CE1 4.01Å; M39-F115 HydrophobicContact CB-CE2 4.43Å; M39-F115 HydrophobicContact CB-CG 4.01Å; M39-F115 HydrophobicContact CB-CZ 4.31Å; M39-F115 HydrophobicContact CG-CB 4.34Å; M39-F115 HydrophobicContact CG-CD1 4.3Å; M39-F115 HydrophobicContact CG-CD2 3.91Å; M39-F115 HydrophobicContact CG-CE2 4.3Å; M39-F115 HydrophobicContact CG-CG 3.93Å; M39-F115 HydrophobicContact SD-CB 4.26Å; M39-F115 HydrophobicContact SD-CG 4.49Å |
| 40 | N | 88.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.07 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 178.6 | -87.5 | -83 | 0 | 0 | 0 | 112 | N36 T37 F42 N44 C72 W73 | N36-N40 VanDerWaalsContact O-CB 3.27Å; N36-N40 WeakPolarHBondContact O-CB 3.44Å; N36-N40 PolarHBondContact O-N 2.85Å; N36-N40 PolarHBondContact O-ND2 3.3Å; N36-N40 PolarHBondContact OD1-ND2 3.11Å; N36-N40 VanDerWaalsContact OD1-ND2 3.15Å; T37-N40 PolarHBondContact O-N 2.97Å; T37-N40 VanDerWaalsContact O-N 3.16Å; N40-F42 VanDerWaalsContact C-N 3.33Å; N40-F42 PolarHBondContact O-N 3.16Å; N40-N44 WeakPolarHBondContact O-CB 3.5Å; N40-N44 PolarHBondContact O-N 3.34Å; N40-N44 PolarHBondContact O-ND2 3.38Å; N40-C72 VanDerWaalsContact OD1-CA 3.29Å; N40-C72 WeakPolarHBondContact OD1-CA 3.05Å; N40-C72 WeakPolarHBondContact OD1-CB 3.41Å; N40-W73 PolarHBondContact ND2-O 3.46Å; N40-W73 PolarHBondContact OD1-N 3.05Å |
| 41 | D | 87.2 | Confident | 78.5 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 175.8 | -68.7 | -20.3 | 0 | 0 | 0 | 110.9 | T37 S45 | T37-D41 WeakPolarHBondContact O-CB 3.3Å; T37-D41 VanDerWaalsContact O-CG 3.28Å; T37-D41 PolarHBondContact O-N 3.28Å; D41-S45 PolarHBondContact O-N 3.29Å; D41-S45 PolarHBondContact O-OG 3.44Å |
| 42 | F | 87.8 | Confident | 77.9 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -53.4 | 176.9 | 178.6 | -91.8 | 0 | 0 | 0 | 112.9 | A38 M39 N40 N44 S45 M46 M52 V112 F115 | A38-F42 VanDerWaalsContact O-CB 3.27Å; A38-F42 WeakPolarHBondContact O-CB 3.49Å; A38-F42 PolarHBondContact O-N 3.39Å; M39-F42 PolarHBondContact O-N 2.83Å; N40-F42 VanDerWaalsContact C-N 3.33Å; N40-F42 PolarHBondContact O-N 3.16Å; F42-N44 VanDerWaalsContact C-N 3.32Å; F42-N44 PolarHBondContact O-N 3.15Å; F42-S45 PolarHBondContact O-N 3Å; F42-S45 PolarHBondContact O-OG 3.46Å; F42-M46 HydrophobicContact CE1-CG 4.35Å; F42-M46 HydrophobicContact CE2-CG 4.32Å; F42-M46 HydrophobicContact CZ-CG 4.21Å; F42-M46 WeakPolarHBondContact O-CB 3.45Å; F42-M46 WeakPolarHBondContact O-CG 3.43Å; F42-M46 PolarHBondContact O-N 3.01Å; F42-M52 HydrophobicContact CE1-SD 4.15Å; F42-M52 HydrophobicContact CZ-SD 4.33Å; F42-V112 HydrophobicContact CE1-CG2 3.9Å; F42-V112 HydrophobicContact CZ-CG2 4.2Å; F42-F115 HydrophobicContact CB-CE2 4.1Å; F42-F115 HydrophobicContact CB-CZ 3.82Å; F42-F115 AromaticContact CD1-CE2 3.64Å; F42-F115 HydrophobicContact CD1-CE2 3.64Å; F42-F115 HydrophobicContact CD1-CZ 4.19Å; F42-F115 HydrophobicContact CE1-CE2 4.22Å; F42-F115 AromaticContact CG-CE2 3.87Å; F42-F115 HydrophobicContact CG-CE2 3.87Å; F42-F115 AromaticContact CG-CZ 3.93Å; F42-F115 HydrophobicContact CG-CZ 3.93Å |
| 43 | Y | 85.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -74.7 | -22.5 | -177.7 | -74.2 | -72.8 | 0 | 0 | 0 | 113.1 | M39 C47 V64 W73 R109 V110 V112 F115 | M39-Y43 HydrophobicContact CG-CD2 3.65Å; M39-Y43 HydrophobicContact CG-CE2 3.69Å; M39-Y43 VanDerWaalsContact O-CD2 3.24Å; M39-Y43 WeakPolarHBondContact O-CD2 3.19Å; M39-Y43 PolarHBondContact O-N 2.8Å; Y43-C47 PolarHBondContact O-N 3.08Å; Y43-V64 HydrophobicContact CD2-CB 4.49Å; Y43-V64 HydrophobicContact CD2-CG1 3.84Å; Y43-V64 HydrophobicContact CE1-CB 4.46Å; Y43-V64 HydrophobicContact CE2-CB 3.93Å; Y43-V64 HydrophobicContact CE2-CG1 3.71Å; Y43-V64 HydrophobicContact CE2-CG2 3.79Å; Y43-V64 HydrophobicContact CG-CG1 4.4Å; Y43-W73 HydrophobicContact CG-CD2 4.34Å; Y43-W73 HydrophobicContact CG-CG 4.36Å; Y43-R109 HydrophobicContact CD1-CB 3.94Å; Y43-R109 HydrophobicContact CD1-CG 4.04Å; Y43-R109 HydrophobicContact CE1-CB 3.64Å; Y43-R109 HydrophobicContact CE1-CG 4.25Å; Y43-V110 PolarHBondContact OH-O 2.84Å; Y43-V112 PolarHBondContact OH-N 3.42Å; Y43-F115 AromaticContact CE2-CD2 3.78Å; Y43-F115 HydrophobicContact CE2-CD2 3.78Å; Y43-F115 AromaticContact CE2-CE2 3.93Å; Y43-F115 HydrophobicContact CE2-CE2 3.93Å |
| 44 | N | 83.7 | Confident | 76.8 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.1 | -38.1 | 170.6 | -73.3 | -29.4 | 0 | 0 | 0 | 111.8 | N40 F42 W73 | N40-N44 WeakPolarHBondContact O-CB 3.5Å; N40-N44 PolarHBondContact O-N 3.34Å; N40-N44 PolarHBondContact O-ND2 3.38Å; F42-N44 VanDerWaalsContact C-N 3.32Å; F42-N44 PolarHBondContact O-N 3.15Å; N44-W73 PolarHBondContact OD1-NE1 3.3Å; N44-W73 VanDerWaalsContact OD1-NE1 3.09Å |
| 45 | S | 79.8 | Confident | 76.1 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.8 | -32 | 175.9 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | D41 F42 C47 | D41-S45 PolarHBondContact O-N 3.29Å; D41-S45 PolarHBondContact O-OG 3.44Å; F42-S45 PolarHBondContact O-N 3Å; F42-S45 PolarHBondContact O-OG 3.46Å; S45-C47 PolarHBondContact O-N 2.87Å |
| 46 | M | 68.2 | Low | 75.4 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 29% | 0.286 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 15.3 | -177.3 | -58.3 | -63.7 | -86.1 | 0 | 0 | 113.7 | F42 Q48 D49 | F42-M46 HydrophobicContact CE1-CG 4.35Å; F42-M46 HydrophobicContact CE2-CG 4.32Å; F42-M46 HydrophobicContact CZ-CG 4.21Å; F42-M46 WeakPolarHBondContact O-CB 3.45Å; F42-M46 WeakPolarHBondContact O-CG 3.43Å; F42-M46 PolarHBondContact O-N 3.01Å; M46-Q48 PolarHBondContact O-N 3.33Å; M46-D49 VanDerWaalsContact CE-OD2 3.24Å; M46-D49 WeakPolarHBondContact CE-OD2 3.32Å; M46-D49 PolarHBondContact O-N 3.34Å; M46-D49 VanDerWaalsContact O-N 3.11Å |
| 47 | C | 56.8 | Low | 75.1 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.2 | -168.3 | -161.4 | 0 | 0 | 0 | 0 | 114.2 | Y43 S45 R109 | Y43-C47 PolarHBondContact O-N 3.08Å; S45-C47 PolarHBondContact O-N 2.87Å; C47-R109 PolarHBondContact O-NH2 2.77Å |
| 48 | Q | 56.2 | Low | 75 | Confident | 191 Ų | 191 | 82.9 Ų | 82.9 | 89% | 0.893 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -5.3 | -179.9 | -64.9 | -175.1 | -2.8 | 0 | 0 | 114.9 | M46 V50 | M46-Q48 PolarHBondContact O-N 3.33Å; Q48-V50 PolarHBondContact O-N 2.87Å |
| 49 | D | 61.6 | Low | 74.8 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | trans | -77.1 | 125.4 | -175.5 | -115.1 | -33 | 0 | 0 | 0 | 112.4 | M46 E51 | M46-D49 VanDerWaalsContact CE-OD2 3.24Å; M46-D49 WeakPolarHBondContact CE-OD2 3.32Å; M46-D49 PolarHBondContact O-N 3.34Å; M46-D49 VanDerWaalsContact O-N 3.11Å; D49-E51 VanDerWaalsContact C-N 3.32Å | ||
| 50 | V | 59.7 | Low | 74.3 | Confident | 111 Ų | 111 | 89.8 Ų | 89.8 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -72.9 | -28.3 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | Q48 M52 K53 | Q48-V50 PolarHBondContact O-N 2.87Å; V50-M52 VanDerWaalsContact C-N 3.26Å; V50-M52 PolarHBondContact O-N 2.75Å; V50-K53 PolarHBondContact O-N 3.39Å |
| 51 | E | 60.8 | Low | 74.2 | Confident | 177 Ų | 177 | 91.9 Ų | 91.9 | 83% | 0.827 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -69.3 | -19.3 | -177.5 | -66.3 | -172.7 | 165.7 | 0 | 0 | 113.9 | D49 | D49-E51 VanDerWaalsContact C-N 3.32Š|
| 52 | M | 68.8 | Low | 74.2 | Confident | 29 Ų | 29 | 89.5 Ų | 89.5 | 14% | 0.143 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -90.3 | 2.2 | -176.9 | -73.8 | -95.3 | 44.4 | 0 | 0 | 114.1 | F42 V50 R109 V110 V112 | F42-M52 HydrophobicContact CE1-SD 4.15Å; F42-M52 HydrophobicContact CZ-SD 4.33Å; V50-M52 VanDerWaalsContact C-N 3.26Å; V50-M52 PolarHBondContact O-N 2.75Å; M52-R109 WeakPolarHBondContact O-CA 3.23Å; M52-R109 VanDerWaalsContact O-CD 3.29Å; M52-R109 WeakPolarHBondContact O-CD 3.33Å; M52-V110 HydrophobicContact CE-CB 3.72Å; M52-V110 PolarHBondContact O-N 2.93Å; M52-V112 HydrophobicContact CE-CG2 4.36Å; M52-V112 HydrophobicContact SD-CG2 4.46Å |
| 53 | K | 73.8 | Confident | 74.4 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 44% | 0.443 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -84.6 | 135 | 173.6 | -69.9 | 178.6 | -177.6 | 170.4 | 0 | 110.2 | V50 L55 | V50-K53 PolarHBondContact O-N 3.39Å; K53-L55 PolarHBondContact O-N 2.87Å |
| 54 | P | 71.6 | Confident | 74.6 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 17% | 0.169 | 46% | 0.458 | C | S | . | . | trans | -63.7 | 133.7 | 175.7 | 25.9 | -32.4 | 0 | 0 | 0 | 110.7 | M56 L57 I108 V110 | P54-M56 VanDerWaalsContact C-N 3.34Å; P54-L57 HydrophobicContact CB-CD2 4.07Å; P54-L57 HydrophobicContact CG-CD2 3.47Å; P54-L57 VanDerWaalsContact CG-CD2 3.47Å; P54-L57 HydrophobicContact CG-CG 4.43Å; P54-I108 HydrophobicContact CG-CG2 4.12Å; P54-V110 HydrophobicContact CB-CG2 4.12Å | ||
| 55 | L | 69.3 | Low | 75 | Confident | 179 Ų | 179 | 82.2 Ų | 82.2 | 94% | 0.937 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -65 | -37.6 | 179 | -74.2 | 161.4 | 0 | 0 | 0 | 112.2 | K53 | K53-L55 PolarHBondContact O-N 2.87Š|
| 56 | M | 73.6 | Confident | 75.4 | Confident | 150 Ų | 150 | 81.1 Ų | 81.1 | 74% | 0.739 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -140.6 | 145.9 | 175.6 | -75.9 | -79.9 | 159 | 0 | 0 | 108.3 | P54 Q61 | P54-M56 VanDerWaalsContact C-N 3.34Å; M56-Q61 PolarHBondContact O-OE1 3.42Å |
| 57 | L | 80.8 | Confident | 76.3 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | trans | -103.2 | 128.9 | 174.2 | -65.2 | 173.1 | 0 | 0 | 0 | 108.5 | P54 I78 I81 I108 | P54-L57 HydrophobicContact CB-CD2 4.07Å; P54-L57 HydrophobicContact CG-CD2 3.47Å; P54-L57 VanDerWaalsContact CG-CD2 3.47Å; P54-L57 HydrophobicContact CG-CG 4.43Å; L57-I78 HydrophobicContact CB-CD1 4.22Å; L57-I78 HydrophobicContact CD2-CD1 3.66Å; L57-I78 HydrophobicContact CG-CD1 4.47Å; L57-I81 VanDerWaalsContact C-CD1 3.45Å; L57-I81 HydrophobicContact CB-CD1 3.73Å; L57-I81 WeakPolarHBondContact O-CD1 3.31Å; L57-I108 HydrophobicContact CD1-CD1 4.06Å; L57-I108 HydrophobicContact CD2-CD1 4.18Å; L57-I108 HydrophobicContact CD2-CG2 4.05Å | ||
| 58 | E | 83.4 | Confident | 77.6 | Confident | 134 Ų | 134 | 82.5 Ų | 82.5 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | trans | -122.8 | 146.5 | 177.8 | -66.7 | -179.5 | -178.8 | 0 | 0 | 111.3 | G60 Q61 I78 | E58-G60 PolarHBondContact O-N 3.45Å; E58-Q61 HydrophobicContact CB-CB 4.42Å; E58-Q61 WeakPolarHBondContact O-CB 3.44Å; E58-Q61 PolarHBondContact O-N 3.28Å; E58-I78 WeakPolarHBondContact O-CB 3.37Å | ||
| 59 | E | 83.2 | Confident | 79 | Confident | 147 Ų | 147 | 79.6 Ų | 79.6 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 132.7 | 172.4 | -169.9 | 177 | 156.3 | 0 | 0 | 109.9 | Q61 K79 | E59-Q61 VanDerWaalsContact C-N 3.35Å; E59-K79 VanDerWaalsContact CG-O 3.3Å; E59-K79 WeakPolarHBondContact CG-O 3.31Å; E59-K79 VanDerWaalsContact OE1-O 3.11Å |
| 60 | G | 80.8 | Confident | 80 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 52% | 0.515 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -8.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E58 L77 I78 | E58-G60 PolarHBondContact O-N 3.45Å; G60-L77 WeakPolarHBondContact O-CD2 3.44Å; G60-I78 WeakPolarHBondContact CA-O 3.31Å; G60-I78 PolarHBondContact N-O 3.5Å |
| 61 | Q | 86.5 | Confident | 81.2 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | trans | -66.9 | 133.4 | 178.8 | -172.1 | -179 | 8.2 | 0 | 0 | 112 | M56 E58 E59 I78 | M56-Q61 PolarHBondContact O-OE1 3.42Å; E58-Q61 HydrophobicContact CB-CB 4.42Å; E58-Q61 WeakPolarHBondContact O-CB 3.44Å; E58-Q61 PolarHBondContact O-N 3.28Å; E59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-I78 HydrophobicContact CB-CD1 4.15Å; Q61-I78 HydrophobicContact CB-CG1 4.48Å; Q61-I78 PolarHBondContact O-N 2.99Å | ||
| 62 | V | 87.5 | Confident | 82.6 | Confident | 50 Ų | 50 | 75 Ų | 75 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.7 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | A76 L77 A111 M116 | V62-A76 WeakPolarHBondContact CA-O 3.43Å; V62-L77 HydrophobicContact CB-CD2 4.35Å; V62-L77 HydrophobicContact CG2-CD2 3.48Å; V62-L77 VanDerWaalsContact CG2-CD2 3.48Å; V62-L77 HydrophobicContact CG2-CG 4.46Å; V62-A111 HydrophobicContact CG1-CB 4.2Å; V62-M116 HydrophobicContact CG1-CG 4.49Å; V62-M116 HydrophobicContact CG1-SD 3.62Å |
| 63 | C | 90.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 175.2 | -179.7 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | A76 I108 R109 | C63-A76 PolarHBondContact N-O 3Å; C63-A76 PolarHBondContact O-N 3.26Å; C63-A76 VanDerWaalsContact O-O 3.13Å; C63-I108 HydrophobicContact CB-CG2 3.88Å; C63-R109 WeakPolarHBondContact CB-O 3.44Å |
| 64 | V | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.7 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | M39 Y43 W73 C74 R109 A111 M116 | M39-V64 HydrophobicContact SD-CG1 4.18Å; M39-V64 HydrophobicContact SD-CG2 4.28Å; Y43-V64 HydrophobicContact CD2-CB 4.49Å; Y43-V64 HydrophobicContact CD2-CG1 3.84Å; Y43-V64 HydrophobicContact CE1-CB 4.46Å; Y43-V64 HydrophobicContact CE2-CB 3.93Å; Y43-V64 HydrophobicContact CE2-CG1 3.71Å; Y43-V64 HydrophobicContact CE2-CG2 3.79Å; Y43-V64 HydrophobicContact CG-CG1 4.4Å; V64-W73 HydrophobicContact CG1-CB 3.85Å; V64-W73 HydrophobicContact CG1-CE3 3.99Å; V64-C74 WeakPolarHBondContact CA-O 3.3Å; V64-R109 PolarHBondContact N-O 3.16Å; V64-R109 PolarHBondContact O-N 2.89Å; V64-A111 HydrophobicContact CG2-CB 4.47Å; V64-M116 HydrophobicContact CG2-CE 3.52Å |
| 65 | V | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.3 | -174.4 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | C67 W73 C74 A76 C92 L94 I101 V103 N107 I108 | V65-C67 PolarHBondContact O-N 3.15Å; V65-W73 VanDerWaalsContact C-CE3 3.47Å; V65-W73 WeakPolarHBondContact O-CA 3.38Å; V65-C74 HydrophobicContact CG2-CB 4.5Å; V65-C74 PolarHBondContact N-O 3.14Å; V65-C74 PolarHBondContact O-N 3.04Å; V65-A76 HydrophobicContact CB-CB 4.44Å; V65-A76 HydrophobicContact CG1-CB 4.02Å; V65-A76 HydrophobicContact CG2-CB 3.6Å; V65-C92 HydrophobicContact CG1-CB 4.32Å; V65-L94 HydrophobicContact CG2-CD2 3.46Å; V65-L94 VanDerWaalsContact CG2-CD2 3.46Å; V65-I101 HydrophobicContact CG2-CD1 4.15Å; V65-V103 HydrophobicContact CB-CG1 4.14Å; V65-V103 HydrophobicContact CB-CG2 4.16Å; V65-V103 HydrophobicContact CG1-CG1 4.32Å; V65-V103 HydrophobicContact CG1-CG2 4.41Å; V65-V103 HydrophobicContact CG2-CG2 4.32Å; V65-N107 WeakPolarHBondContact CA-O 3.42Å; V65-I108 HydrophobicContact CG1-CG1 4.13Å; V65-I108 HydrophobicContact CG1-CG2 4.28Å |
| 66 | Y | 89.5 | Confident | 86.5 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111 | 174.2 | -171.2 | -101.6 | 0 | 0 | 0 | 110.1 | Q68 W73 N107 | Y66-Q68 PolarHBondContact O-N 3.17Å; Y66-W73 AromaticContact CD2-CD1 3.9Å; Y66-W73 AromaticContact CD2-CD2 3.89Å; Y66-W73 HydrophobicContact CD2-CD2 3.89Å; Y66-W73 AromaticContact CD2-CE2 3.71Å; Y66-W73 HydrophobicContact CD2-CG 4.03Å; Y66-W73 HydrophobicContact CD2-CZ2 4.25Å; Y66-W73 AromaticContact CD2-NE1 3.69Å; Y66-W73 HydrophobicContact CG-CD2 4.43Å; Y66-W73 HydrophobicContact CG-CZ2 4.48Å; Y66-W73 VanDerWaalsContact N-CE3 3.29Å; Y66-N107 PolarHBondContact N-O 2.83Å |
| 67 | C | 86.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.9 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | V65 E69 L70 K71 C72 L94 I101 | V65-C67 PolarHBondContact O-N 3.15Å; C67-E69 VanDerWaalsContact C-N 3.27Å; C67-E69 PolarHBondContact O-N 3.44Å; C67-L70 HydrophobicContact CB-CB 4.12Å; C67-L70 HydrophobicContact CB-CD1 4.32Å; C67-L70 HydrophobicContact CB-CG 4.4Å; C67-L70 PolarHBondContact O-N 2.94Å; C67-K71 WeakPolarHBondContact O-CA 3.35Å; C67-K71 PolarHBondContact O-N 2.72Å; C67-C72 PolarHBondContact N-O 2.97Å; C67-C72 PolarHBondContact O-N 3.35Å; C67-L94 HydrophobicContact CB-CD1 4.26Å; C67-I101 HydrophobicContact CB-CD1 4.1Å |
| 68 | Q | 84.7 | Confident | 87.6 | Confident | 154 Ų | 154 | 52.1 Ų | 52.1 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.5 | -176.4 | -135.3 | 170.4 | -14 | 0 | 0 | 113 | Y66 | Y66-Q68 PolarHBondContact O-N 3.17Š|
| 69 | E | 84.3 | Confident | 87.9 | Confident | 130 Ų | 130 | 49.7 Ų | 49.7 | 61% | 0.607 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -41.6 | 179.5 | -62.2 | 175.6 | 168.5 | 0 | 0 | 112.5 | C67 K71 K99 | C67-E69 VanDerWaalsContact C-N 3.27Å; C67-E69 PolarHBondContact O-N 3.44Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K99 IonicContact OE1-NZ 2.59Å; E69-K99 WeakPolarHBondContact OE2-CE 3.28Å; E69-K99 IonicContact OE2-NZ 2.6Å; E69-K99 PolarHBondContact OE2-NZ 2.89Å |
| 70 | L | 82.9 | Confident | 88.1 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.9 | 177.9 | -60.8 | 174.9 | 0 | 0 | 0 | 112.5 | C67 C72 L94 F97 | C67-L70 HydrophobicContact CB-CB 4.12Å; C67-L70 HydrophobicContact CB-CD1 4.32Å; C67-L70 HydrophobicContact CB-CG 4.4Å; C67-L70 PolarHBondContact O-N 2.94Å; L70-C72 VanDerWaalsContact CB-SG 3.58Å; L70-C72 PolarHBondContact O-N 3.42Å; L70-L94 HydrophobicContact CD1-CD1 4.26Å; L70-F97 HydrophobicContact CD1-CD1 3.89Å; L70-F97 HydrophobicContact CD1-CD2 3.96Å; L70-F97 HydrophobicContact CD1-CE1 3.82Å; L70-F97 HydrophobicContact CD1-CE2 3.89Å; L70-F97 HydrophobicContact CD1-CG 3.96Å; L70-F97 HydrophobicContact CD1-CZ 3.81Å |
| 71 | K | 86 | Confident | 88.2 | Confident | 166 Ų | 166 | 45 Ų | 45 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 37.6 | -175.8 | -58.9 | -177.4 | 179.5 | 179.4 | 0 | 113.1 | C67 E69 | C67-K71 WeakPolarHBondContact O-CA 3.35Å; C67-K71 PolarHBondContact O-N 2.72Å; E69-K71 VanDerWaalsContact C-N 3.32Å |
| 72 | C | 88.8 | Confident | 87.8 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 12% | 0.122 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.2 | 180 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | N40 C67 L70 C74 | N40-C72 VanDerWaalsContact OD1-CA 3.29Å; N40-C72 WeakPolarHBondContact OD1-CA 3.05Å; N40-C72 WeakPolarHBondContact OD1-CB 3.41Å; C67-C72 PolarHBondContact N-O 2.97Å; C67-C72 PolarHBondContact O-N 3.35Å; L70-C72 VanDerWaalsContact CB-SG 3.58Å; L70-C72 PolarHBondContact O-N 3.42Å; C72-C74 VanDerWaalsContact SG-SG 3.63Å |
| 73 | W | 90.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133.5 | 166.9 | -66.5 | 96.8 | 0 | 0 | 0 | 110.1 | M39 N40 Y43 N44 V64 V65 Y66 N107 R109 | M39-W73 WeakPolarHBondContact CE-O 3.35Å; N40-W73 PolarHBondContact ND2-O 3.46Å; N40-W73 PolarHBondContact OD1-N 3.05Å; Y43-W73 HydrophobicContact CG-CD2 4.34Å; Y43-W73 HydrophobicContact CG-CG 4.36Å; N44-W73 PolarHBondContact OD1-NE1 3.3Å; N44-W73 VanDerWaalsContact OD1-NE1 3.09Å; V64-W73 HydrophobicContact CG1-CB 3.85Å; V64-W73 HydrophobicContact CG1-CE3 3.99Å; V65-W73 VanDerWaalsContact C-CE3 3.47Å; V65-W73 WeakPolarHBondContact O-CA 3.38Å; Y66-W73 AromaticContact CD2-CD1 3.9Å; Y66-W73 AromaticContact CD2-CD2 3.89Å; Y66-W73 HydrophobicContact CD2-CD2 3.89Å; Y66-W73 AromaticContact CD2-CE2 3.71Å; Y66-W73 HydrophobicContact CD2-CG 4.03Å; Y66-W73 HydrophobicContact CD2-CZ2 4.25Å; Y66-W73 AromaticContact CD2-NE1 3.69Å; Y66-W73 HydrophobicContact CG-CD2 4.43Å; Y66-W73 HydrophobicContact CG-CZ2 4.48Å; Y66-W73 VanDerWaalsContact N-CE3 3.29Å; W73-N107 WeakPolarHBondContact CZ3-O 3.31Å; W73-R109 HydrophobicContact CE3-CG 4.45Å; W73-R109 HydrophobicContact CH2-CG 3.63Å; W73-R109 HydrophobicContact CZ3-CB 4.29Å; W73-R109 HydrophobicContact CZ3-CG 3.55Å |
| 74 | C | 91.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.6 | -175.2 | -63.2 | 0 | 0 | 0 | 0 | 110 | V64 V65 C72 L94 F97 | V64-C74 WeakPolarHBondContact CA-O 3.3Å; V65-C74 HydrophobicContact CG2-CB 4.5Å; V65-C74 PolarHBondContact N-O 3.14Å; V65-C74 PolarHBondContact O-N 3.04Å; C72-C74 VanDerWaalsContact SG-SG 3.63Å; C74-L94 HydrophobicContact CB-CD1 4.35Å; C74-L94 HydrophobicContact CB-CD2 3.73Å; C74-F97 HydrophobicContact CB-CE2 4.39Å |
| 75 | R | 92.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.2 | 168.5 | -54.8 | -173.8 | -64.5 | 175.5 | 3.9 | 109.1 | M39 V95 D96 F115 M116 L118 P119 | M39-R75 HydrophobicContact CE-CG 4.35Å; M39-R75 HydrophobicContact SD-CG 3.86Å; R75-V95 HydrophobicContact CB-CG2 3.6Å; R75-V95 PolarHBondContact O-N 2.92Å; R75-D96 IonicContact CZ-OD1 3.45Å; R75-D96 IonicContact CZ-OD2 2.72Å; R75-D96 IonicContact NE-OD1 2.76Å; R75-D96 IonicContact NE-OD2 2.88Å; R75-D96 PolarHBondContact NE-OD2 3.44Å; R75-D96 IonicContact NH2-OD1 3.31Å; R75-D96 PolarHBondContact NH2-OD1 2.81Å; R75-D96 IonicContact NH2-OD2 2.62Å; R75-D96 PolarHBondContact NH2-OD2 3.13Å; R75-F115 WeakPolarHBondContact CD-O 3.33Å; R75-F115 PolarHBondContact NH1-O 3.46Å; R75-M116 HydrophobicContact CB-CE 4.28Å; R75-M116 HydrophobicContact CG-CE 3.75Å; R75-M116 HydrophobicContact CG-SD 4.3Å; R75-L118 PolarHBondContact NH1-O 3.07Å; R75-P119 PolarHBondContact NH2-O 3.32Å |
| 76 | A | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V62 C63 V65 C92 F93 L94 | V62-A76 WeakPolarHBondContact CA-O 3.43Å; C63-A76 PolarHBondContact N-O 3Å; C63-A76 PolarHBondContact O-N 3.26Å; C63-A76 VanDerWaalsContact O-O 3.13Å; V65-A76 HydrophobicContact CB-CB 4.44Å; V65-A76 HydrophobicContact CG1-CB 4.02Å; V65-A76 HydrophobicContact CG2-CB 3.6Å; A76-C92 HydrophobicContact CB-CB 4.07Å; A76-F93 CarbonylContact C-O 3.53Å; A76-F93 WeakPolarHBondContact CA-O 3.35Å; A76-L94 HydrophobicContact CB-CD2 3.9Å |
| 77 | L | 90.4 | Very high | 80 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131 | 169.1 | -79.7 | 165.5 | 0 | 0 | 0 | 109.2 | G60 V62 K79 C92 F93 V95 Y120 | G60-L77 WeakPolarHBondContact O-CD2 3.44Å; V62-L77 HydrophobicContact CB-CD2 4.35Å; V62-L77 HydrophobicContact CG2-CD2 3.48Å; V62-L77 VanDerWaalsContact CG2-CD2 3.48Å; V62-L77 HydrophobicContact CG2-CG 4.46Å; L77-K79 PolarHBondContact O-N 2.97Å; L77-C92 CarbonylContact O-C 3.52Å; L77-C92 WeakPolarHBondContact O-CA 3.32Å; L77-F93 PolarHBondContact N-O 3.3Å; L77-F93 PolarHBondContact O-N 3.09Å; L77-V95 HydrophobicContact CB-CG1 4.35Å; L77-V95 HydrophobicContact CD1-CG1 3.73Å; L77-V95 HydrophobicContact CG-CG1 3.82Å; L77-Y120 HydrophobicContact CD1-CE2 4.4Å |
| 78 | I | 88.7 | Confident | 79 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.6 | 172 | -58.4 | -176.7 | 0 | 0 | 0 | 108.1 | L57 E58 G60 Q61 I81 A90 | L57-I78 HydrophobicContact CB-CD1 4.22Å; L57-I78 HydrophobicContact CD2-CD1 3.66Å; L57-I78 HydrophobicContact CG-CD1 4.47Å; E58-I78 WeakPolarHBondContact O-CB 3.37Å; G60-I78 WeakPolarHBondContact CA-O 3.31Å; G60-I78 PolarHBondContact N-O 3.5Å; Q61-I78 HydrophobicContact CB-CD1 4.15Å; Q61-I78 HydrophobicContact CB-CG1 4.48Å; Q61-I78 PolarHBondContact O-N 2.99Å; I78-I81 HydrophobicContact CG2-CD1 4.27Å; I78-I81 HydrophobicContact CG2-CG1 3.79Å; I78-A90 HydrophobicContact CG2-CB 4.41Å |
| 79 | K | 88.9 | Confident | 78.7 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -31.1 | -179 | -70.2 | -62.5 | -171.3 | -177.4 | 0 | 113.2 | E59 L77 E91 F93 Y100 | E59-K79 VanDerWaalsContact CG-O 3.3Å; E59-K79 WeakPolarHBondContact CG-O 3.31Å; E59-K79 VanDerWaalsContact OE1-O 3.11Å; L77-K79 PolarHBondContact O-N 2.97Å; K79-E91 PolarHBondContact N-O 2.93Å; K79-F93 HydrophobicContact CD-CB 4.41Å; K79-F93 HydrophobicContact CG-CB 3.7Å; K79-Y100 HydrophobicContact CB-CE1 4.33Å; K79-Y100 HydrophobicContact CG-CD1 4.5Å; K79-Y100 HydrophobicContact CG-CE1 3.89Å |
| 80 | S | 86.8 | Confident | 78.8 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 155.2 | 171.8 | 67 | 0 | 0 | 0 | 0 | 110 | A90 E91 | S80-A90 CarbonylContact O-C 3.6Å; S80-A90 WeakPolarHBondContact O-CA 3.16Å; S80-E91 PolarHBondContact N-O 3.05Å; S80-E91 PolarHBondContact O-N 3.22Å; S80-E91 VanDerWaalsContact OG-CB 3.23Å; S80-E91 WeakPolarHBondContact OG-CB 3.31Å; S80-E91 PolarHBondContact OG-OE2 3.22Å |
| 81 | I | 84 | Confident | 79.1 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 33% | 0.328 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.9 | 178.8 | -56.9 | 170 | 0 | 0 | 0 | 108.2 | L57 I78 Y88 | L57-I81 VanDerWaalsContact C-CD1 3.45Å; L57-I81 HydrophobicContact CB-CD1 3.73Å; L57-I81 WeakPolarHBondContact O-CD1 3.31Å; I78-I81 HydrophobicContact CG2-CD1 4.27Å; I78-I81 HydrophobicContact CG2-CG1 3.79Å; I81-Y88 HydrophobicContact CG2-CD1 4.27Å |
| 82 | I | 76.8 | Confident | 79.3 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.6 | -178 | -51.7 | 172.3 | 0 | 0 | 0 | 107.6 | L89 | I82-L89 WeakPolarHBondContact CA-O 3.29Å; I82-L89 HydrophobicContact CB-CB 4.47Å; I82-L89 WeakPolarHBondContact CB-O 3.32Å; I82-L89 PolarHBondContact N-O 3.14Å; I82-L89 PolarHBondContact O-N 2.88Å; I82-L89 VanDerWaalsContact O-N 3.12Å |
| 83 | S | 63.4 | Low | 79.4 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 70% | 0.699 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.6 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 84 | S | 54.6 | Low | 79.5 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 57% | 0.573 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.8 | 168.2 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | D86 H87 | S84-D86 PolarHBondContact O-N 3.49Å; S84-H87 PolarHBondContact O-N 3.07Å |
| 85 | A | 54.4 | Low | 79.3 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 82% | 0.818 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -22.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 86 | D | 53 | Low | 79.1 | Confident | 142 Ų | 142 | 54.5 Ų | 54.5 | 76% | 0.759 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | -12 | -179.4 | -66.1 | -47.5 | 0 | 0 | 0 | 115.3 | S84 | S84-D86 PolarHBondContact O-N 3.49Š|
| 87 | H | 61.3 | Low | 78.9 | Confident | 116 Ų | 116 | 57.1 Ų | 57.1 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 138 | 178.8 | -61.5 | -44.8 | 0 | 0 | 0 | 112.2 | S84 | S84-H87 PolarHBondContact O-N 3.07Å |
| 88 | Y | 65.3 | Low | 78.9 | Confident | 139 Ų | 139 | 55.7 Ų | 55.7 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131 | 167.8 | -61.6 | -80.2 | 0 | 0 | 0 | 110.8 | I81 S105 | I81-Y88 HydrophobicContact CG2-CD1 4.27Å; Y88-S105 PolarHBondContact O-N 2.87Å |
| 89 | L | 78.5 | Confident | 78.8 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.4 | 172.2 | -120.8 | 152.2 | 0 | 0 | 0 | 107.2 | I82 P102 | I82-L89 WeakPolarHBondContact CA-O 3.29Å; I82-L89 HydrophobicContact CB-CB 4.47Å; I82-L89 WeakPolarHBondContact CB-O 3.32Å; I82-L89 PolarHBondContact N-O 3.14Å; I82-L89 PolarHBondContact O-N 2.88Å; I82-L89 VanDerWaalsContact O-N 3.12Å; L89-P102 HydrophobicContact CD2-CB 3.56Å |
| 90 | A | 85.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I78 S80 V103 I108 | I78-A90 HydrophobicContact CG2-CB 4.41Å; S80-A90 CarbonylContact O-C 3.6Å; S80-A90 WeakPolarHBondContact O-CA 3.16Å; A90-V103 PolarHBondContact N-O 2.8Å; A90-V103 PolarHBondContact O-N 2.95Å; A90-I108 HydrophobicContact CB-CD1 3.77Å |
| 91 | E | 89.6 | Confident | 78.8 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.9 | 166.3 | -170.8 | 177.6 | -136.7 | 0 | 0 | 108.5 | K79 S80 Y100 | K79-E91 PolarHBondContact N-O 2.93Å; S80-E91 PolarHBondContact N-O 3.05Å; S80-E91 PolarHBondContact O-N 3.22Å; S80-E91 VanDerWaalsContact OG-CB 3.23Å; S80-E91 WeakPolarHBondContact OG-CB 3.31Å; S80-E91 PolarHBondContact OG-OE2 3.22Å; E91-Y100 HydrophobicContact CG-CD1 4.17Å |
| 92 | C | 89.9 | Confident | 79 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.7 | -174.9 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | V65 A76 L77 Y100 I101 V103 | V65-C92 HydrophobicContact CG1-CB 4.32Å; A76-C92 HydrophobicContact CB-CB 4.07Å; L77-C92 CarbonylContact O-C 3.52Å; L77-C92 WeakPolarHBondContact O-CA 3.32Å; C92-Y100 WeakPolarHBondContact O-CA 3.5Å; C92-I101 HydrophobicContact CB-CG1 4.47Å; C92-I101 PolarHBondContact N-O 2.76Å; C92-I101 PolarHBondContact O-N 2.68Å; C92-V103 HydrophobicContact CB-CG2 4.03Å |
| 93 | F | 91.2 | Very high | 79.4 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.1 | 172.4 | -179.9 | -107.4 | 0 | 0 | 0 | 110.1 | W16 A76 L77 K79 V95 A98 Y100 | W16-F93 HydrophobicContact CD2-CZ 4.25Å; W16-F93 AromaticContact CE2-CZ 3.95Å; W16-F93 HydrophobicContact CE3-CZ 4.28Å; W16-F93 AromaticContact CH2-CE1 3.91Å; W16-F93 HydrophobicContact CH2-CE1 3.91Å; W16-F93 AromaticContact CH2-CZ 3.76Å; W16-F93 HydrophobicContact CH2-CZ 3.76Å; W16-F93 HydrophobicContact CZ2-CE1 4.26Å; W16-F93 AromaticContact CZ2-CZ 3.71Å; W16-F93 HydrophobicContact CZ2-CZ 3.71Å; W16-F93 HydrophobicContact CZ3-CE1 4.23Å; W16-F93 HydrophobicContact CZ3-CZ 4.05Å; A76-F93 CarbonylContact C-O 3.53Å; A76-F93 WeakPolarHBondContact CA-O 3.35Å; L77-F93 PolarHBondContact N-O 3.3Å; L77-F93 PolarHBondContact O-N 3.09Å; K79-F93 HydrophobicContact CD-CB 4.41Å; K79-F93 HydrophobicContact CG-CB 3.7Å; F93-V95 HydrophobicContact CD1-CG1 4.15Å; F93-V95 PolarHBondContact O-N 2.84Å; F93-A98 HydrophobicContact CE2-CB 4.35Å; F93-A98 HydrophobicContact CZ-CB 4.11Å; F93-Y100 HydrophobicContact CB-CD1 4.45Å; F93-Y100 HydrophobicContact CB-CE1 4.29Å; F93-Y100 HydrophobicContact CD2-CD1 4.36Å; F93-Y100 AromaticContact CD2-CD2 3.72Å; F93-Y100 HydrophobicContact CD2-CD2 3.72Å; F93-Y100 HydrophobicContact CD2-CE1 4.13Å; F93-Y100 AromaticContact CD2-CE2 3.4Å; F93-Y100 HydrophobicContact CD2-CE2 3.4Å; F93-Y100 HydrophobicContact CD2-CG 4.18Å; F93-Y100 AromaticContact CD2-CZ 3.63Å; F93-Y100 HydrophobicContact CE2-CD2 4.16Å; F93-Y100 AromaticContact CE2-CE2 3.67Å; F93-Y100 HydrophobicContact CE2-CE2 3.67Å; F93-Y100 HydrophobicContact CG-CE2 4.5Å |
| 94 | L | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 105.2 | 176.1 | -57.6 | -171.8 | 0 | 0 | 0 | 109.8 | V65 C67 L70 C74 A76 D96 F97 A98 K99 I101 | V65-L94 HydrophobicContact CG2-CD2 3.46Å; V65-L94 VanDerWaalsContact CG2-CD2 3.46Å; C67-L94 HydrophobicContact CB-CD1 4.26Å; L70-L94 HydrophobicContact CD1-CD1 4.26Å; C74-L94 HydrophobicContact CB-CD1 4.35Å; C74-L94 HydrophobicContact CB-CD2 3.73Å; A76-L94 HydrophobicContact CB-CD2 3.9Å; L94-D96 PolarHBondContact O-N 2.81Å; L94-F97 HydrophobicContact CB-CB 4.13Å; L94-F97 HydrophobicContact CB-CD2 4.22Å; L94-F97 HydrophobicContact CD1-CD2 4.32Å; L94-F97 PolarHBondContact O-N 2.88Å; L94-A98 PolarHBondContact O-N 3.08Å; L94-K99 HydrophobicContact CD1-CB 4.45Å; L94-K99 PolarHBondContact N-O 2.97Å; L94-I101 HydrophobicContact CD1-CD1 4.05Å; L94-I101 HydrophobicContact CD1-CG1 4.35Å; L94-I101 HydrophobicContact CD1-CG2 4.4Å; L94-I101 HydrophobicContact CD2-CD1 3.76Å; L94-I101 HydrophobicContact CD2-CG1 4Å; L94-I101 HydrophobicContact CG-CD1 4.09Å; L94-I101 HydrophobicContact CG-CG1 4.05Å |
| 95 | V | 88.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.4 | -170.1 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | R75 L77 F93 Y120 A122 | R75-V95 HydrophobicContact CB-CG2 3.6Å; R75-V95 PolarHBondContact O-N 2.92Å; L77-V95 HydrophobicContact CB-CG1 4.35Å; L77-V95 HydrophobicContact CD1-CG1 3.73Å; L77-V95 HydrophobicContact CG-CG1 3.82Å; F93-V95 HydrophobicContact CD1-CG1 4.15Å; F93-V95 PolarHBondContact O-N 2.84Å; V95-Y120 HydrophobicContact CB-CD1 3.79Å; V95-Y120 HydrophobicContact CB-CD2 3.83Å; V95-Y120 HydrophobicContact CB-CE1 4.18Å; V95-Y120 HydrophobicContact CB-CE2 4.22Å; V95-Y120 HydrophobicContact CB-CG 3.6Å; V95-Y120 HydrophobicContact CG1-CD1 4.45Å; V95-Y120 HydrophobicContact CG1-CD2 4.05Å; V95-Y120 HydrophobicContact CG1-CE1 4.4Å; V95-Y120 HydrophobicContact CG1-CE2 3.99Å; V95-Y120 HydrophobicContact CG1-CG 4.28Å; V95-Y120 HydrophobicContact CG2-CD1 3.34Å; V95-Y120 HydrophobicContact CG2-CD2 4.32Å; V95-Y120 HydrophobicContact CG2-CE1 3.65Å; V95-Y120 HydrophobicContact CG2-CG 3.72Å; V95-A122 VanDerWaalsContact O-CB 3.3Å; V95-A122 WeakPolarHBondContact O-CB 3.37Å; V95-A122 PolarHBondContact O-N 3.13Å |
| 96 | D | 88.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -12.2 | 179.1 | -63.1 | -49.8 | 0 | 0 | 0 | 114.2 | Y32 R75 L94 R121 | Y32-D96 HydrophobicContact CE2-CB 3.99Å; Y32-D96 WeakPolarHBondContact OH-CB 3.41Å; R75-D96 IonicContact CZ-OD1 3.45Å; R75-D96 IonicContact CZ-OD2 2.72Å; R75-D96 IonicContact NE-OD1 2.76Å; R75-D96 IonicContact NE-OD2 2.88Å; R75-D96 PolarHBondContact NE-OD2 3.44Å; R75-D96 IonicContact NH2-OD1 3.31Å; R75-D96 PolarHBondContact NH2-OD1 2.81Å; R75-D96 IonicContact NH2-OD2 2.62Å; R75-D96 PolarHBondContact NH2-OD2 3.13Å; L94-D96 PolarHBondContact O-N 2.81Å; D96-R121 HydrophobicContact CB-CB 3.96Å; D96-R121 VanDerWaalsContact OD1-CB 3.31Å; D96-R121 WeakPolarHBondContact OD1-CB 3.39Å; D96-R121 PolarHBondContact OD1-N 2.88Å |
| 97 | F | 87.6 | Confident | 84.3 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -6 | -174.5 | -60.8 | -85.5 | 0 | 0 | 0 | 113.1 | L70 C74 L94 K99 | L70-F97 HydrophobicContact CD1-CD1 3.89Å; L70-F97 HydrophobicContact CD1-CD2 3.96Å; L70-F97 HydrophobicContact CD1-CE1 3.82Å; L70-F97 HydrophobicContact CD1-CE2 3.89Å; L70-F97 HydrophobicContact CD1-CG 3.96Å; L70-F97 HydrophobicContact CD1-CZ 3.81Å; C74-F97 HydrophobicContact CB-CE2 4.39Å; L94-F97 HydrophobicContact CB-CB 4.13Å; L94-F97 HydrophobicContact CB-CD2 4.22Å; L94-F97 HydrophobicContact CD1-CD2 4.32Å; L94-F97 PolarHBondContact O-N 2.88Å; F97-K99 VanDerWaalsContact C-N 3.27Å; F97-K99 HydrophobicContact CB-CB 4.45Å; F97-K99 PolarHBondContact O-N 2.91Å |
| 98 | A | 89.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L7 K8 W16 F93 L94 A122 | L7-A98 HydrophobicContact CB-CB 4.39Å; L7-A98 HydrophobicContact CD1-CB 4.22Å; K8-A98 HydrophobicContact CB-CB 4.38Å; K8-A98 VanDerWaalsContact CD-O 3.31Å; K8-A98 WeakPolarHBondContact CD-O 3.38Å; W16-A98 HydrophobicContact CB-CB 3.4Å; W16-A98 VanDerWaalsContact CB-CB 3.4Å; W16-A98 HydrophobicContact CD2-CB 3.79Å; W16-A98 HydrophobicContact CE3-CB 4.06Å; W16-A98 HydrophobicContact CG-CB 3.52Å; F93-A98 HydrophobicContact CE2-CB 4.35Å; F93-A98 HydrophobicContact CZ-CB 4.11Å; L94-A98 PolarHBondContact O-N 3.08Å; A98-A122 HydrophobicContact CB-CB 3.87Å |
| 99 | K | 87.6 | Confident | 86.7 | Confident | 84 Ų | 84 | 39 Ų | 39 | 37% | 0.365 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.8 | -174.7 | -171.7 | 171.6 | -176.1 | 166.9 | 0 | 111.9 | E69 L94 F97 I101 | E69-K99 IonicContact OE1-NZ 2.59Å; E69-K99 WeakPolarHBondContact OE2-CE 3.28Å; E69-K99 IonicContact OE2-NZ 2.6Å; E69-K99 PolarHBondContact OE2-NZ 2.89Å; L94-K99 HydrophobicContact CD1-CB 4.45Å; L94-K99 PolarHBondContact N-O 2.97Å; F97-K99 VanDerWaalsContact C-N 3.27Å; F97-K99 HydrophobicContact CB-CB 4.45Å; F97-K99 PolarHBondContact O-N 2.91Å; K99-I101 HydrophobicContact CD-CG2 4.23Å; K99-I101 HydrophobicContact CG-CG2 4.11Å |
| 100 | Y | 88.8 | Confident | 87 | Confident | 93 Ų | 93 | 38.8 Ų | 38.8 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.8 | 171 | -70 | -101.4 | 0 | 0 | 0 | 109.2 | K79 E91 C92 F93 | K79-Y100 HydrophobicContact CB-CE1 4.33Å; K79-Y100 HydrophobicContact CG-CD1 4.5Å; K79-Y100 HydrophobicContact CG-CE1 3.89Å; E91-Y100 HydrophobicContact CG-CD1 4.17Å; C92-Y100 WeakPolarHBondContact O-CA 3.5Å; F93-Y100 HydrophobicContact CB-CD1 4.45Å; F93-Y100 HydrophobicContact CB-CE1 4.29Å; F93-Y100 HydrophobicContact CD2-CD1 4.36Å; F93-Y100 AromaticContact CD2-CD2 3.72Å; F93-Y100 HydrophobicContact CD2-CD2 3.72Å; F93-Y100 HydrophobicContact CD2-CE1 4.13Å; F93-Y100 AromaticContact CD2-CE2 3.4Å; F93-Y100 HydrophobicContact CD2-CE2 3.4Å; F93-Y100 HydrophobicContact CD2-CG 4.18Å; F93-Y100 AromaticContact CD2-CZ 3.63Å; F93-Y100 HydrophobicContact CE2-CD2 4.16Å; F93-Y100 AromaticContact CE2-CE2 3.67Å; F93-Y100 HydrophobicContact CE2-CE2 3.67Å; F93-Y100 HydrophobicContact CG-CE2 4.5Å |
| 101 | I | 86.9 | Confident | 86.9 | Confident | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.5 | 175.4 | 59.4 | 162.9 | 0 | 0 | 0 | 111.1 | V65 C67 C92 L94 K99 V103 | V65-I101 HydrophobicContact CG2-CD1 4.15Å; C67-I101 HydrophobicContact CB-CD1 4.1Å; C92-I101 HydrophobicContact CB-CG1 4.47Å; C92-I101 PolarHBondContact N-O 2.76Å; C92-I101 PolarHBondContact O-N 2.68Å; L94-I101 HydrophobicContact CD1-CD1 4.05Å; L94-I101 HydrophobicContact CD1-CG1 4.35Å; L94-I101 HydrophobicContact CD1-CG2 4.4Å; L94-I101 HydrophobicContact CD2-CD1 3.76Å; L94-I101 HydrophobicContact CD2-CG1 4Å; L94-I101 HydrophobicContact CG-CD1 4.09Å; L94-I101 HydrophobicContact CG-CG1 4.05Å; K99-I101 HydrophobicContact CD-CG2 4.23Å; K99-I101 HydrophobicContact CG-CG2 4.11Å; I101-V103 HydrophobicContact CD1-CG2 3.52Å; I101-V103 HydrophobicContact CG1-CG2 3.66Å |
| 102 | P | 87.6 | Confident | 86.8 | Confident | 103 Ų | 103 | 38.3 Ų | 38.3 | 67% | 0.669 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.3 | 168.2 | 30.3 | -31.6 | 0 | 0 | 0 | 109.9 | L89 | L89-P102 HydrophobicContact CD2-CB 3.56Å |
| 103 | V | 85.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.8 | -177.2 | -170.9 | 0 | 0 | 0 | 0 | 110 | V65 A90 C92 I101 N107 I108 | V65-V103 HydrophobicContact CB-CG1 4.14Å; V65-V103 HydrophobicContact CB-CG2 4.16Å; V65-V103 HydrophobicContact CG1-CG1 4.32Å; V65-V103 HydrophobicContact CG1-CG2 4.41Å; V65-V103 HydrophobicContact CG2-CG2 4.32Å; A90-V103 PolarHBondContact N-O 2.8Å; A90-V103 PolarHBondContact O-N 2.95Å; C92-V103 HydrophobicContact CB-CG2 4.03Å; I101-V103 HydrophobicContact CD1-CG2 3.52Å; I101-V103 HydrophobicContact CG1-CG2 3.66Å; V103-N107 HydrophobicContact CG1-CB 3.73Å; V103-I108 HydrophobicContact CB-CG1 4.36Å; V103-I108 HydrophobicContact CG1-CD1 4.45Å; V103-I108 HydrophobicContact CG1-CG1 3.77Å |
| 104 | K | 85.2 | Confident | 86 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.3 | 172.5 | -63.4 | -177.5 | 178 | -175.5 | 0 | 109.5 | K106 N107 | K104-K106 HydrophobicContact CB-CG 4.02Å; K104-K106 PolarHBondContact O-N 3.23Å; K104-N107 PolarHBondContact O-N 2.79Å |
| 105 | S | 78.4 | Confident | 85.7 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -47.9 | -36.3 | 179.5 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | Y88 N107 I108 | Y88-S105 PolarHBondContact O-N 2.87Å; S105-N107 PolarHBondContact O-N 3.35Å; S105-N107 VanDerWaalsContact O-N 3.12Å; S105-I108 PolarHBondContact O-N 3.27Å; S105-I108 VanDerWaalsContact O-N 3.09Å |
| 106 | K | 78.6 | Confident | 85.5 | Confident | 120 Ų | 120 | 51.4 Ų | 51.4 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.5 | -19.5 | 176.4 | 66.2 | 174.4 | -175.1 | 177.6 | 0 | 115.2 | K104 R109 | K104-K106 HydrophobicContact CB-CG 4.02Å; K104-K106 PolarHBondContact O-N 3.23Å; K106-R109 PolarHBondContact O-NH1 2.85Å; K106-R109 PolarHBondContact O-NH2 2.91Å |
| 107 | N | 86.3 | Confident | 85.1 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -105.3 | 12.7 | -179.8 | -67.8 | -6.6 | 0 | 0 | 0 | 112.5 | V65 Y66 W73 V103 K104 S105 | V65-N107 WeakPolarHBondContact CA-O 3.42Å; Y66-N107 PolarHBondContact N-O 2.83Å; W73-N107 WeakPolarHBondContact CZ3-O 3.31Å; V103-N107 HydrophobicContact CG1-CB 3.73Å; K104-N107 PolarHBondContact O-N 2.79Å; S105-N107 PolarHBondContact O-N 3.35Å; S105-N107 VanDerWaalsContact O-N 3.12Å |
| 108 | I | 87.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.6 | 175.8 | -52 | 179.7 | 0 | 0 | 0 | 108.3 | P54 L57 C63 V65 A90 V103 S105 | P54-I108 HydrophobicContact CG-CG2 4.12Å; L57-I108 HydrophobicContact CD1-CD1 4.06Å; L57-I108 HydrophobicContact CD2-CD1 4.18Å; L57-I108 HydrophobicContact CD2-CG2 4.05Å; C63-I108 HydrophobicContact CB-CG2 3.88Å; V65-I108 HydrophobicContact CG1-CG1 4.13Å; V65-I108 HydrophobicContact CG1-CG2 4.28Å; A90-I108 HydrophobicContact CB-CD1 3.77Å; V103-I108 HydrophobicContact CB-CG1 4.36Å; V103-I108 HydrophobicContact CG1-CD1 4.45Å; V103-I108 HydrophobicContact CG1-CG1 3.77Å; S105-I108 PolarHBondContact O-N 3.27Å; S105-I108 VanDerWaalsContact O-N 3.09Å |
| 109 | R | 87.8 | Confident | 84.5 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.6 | 177.7 | -64.2 | -67.4 | -178.6 | -79.7 | -3.3 | 110.3 | Y43 C47 M52 C63 V64 W73 K106 A111 | Y43-R109 HydrophobicContact CD1-CB 3.94Å; Y43-R109 HydrophobicContact CD1-CG 4.04Å; Y43-R109 HydrophobicContact CE1-CB 3.64Å; Y43-R109 HydrophobicContact CE1-CG 4.25Å; C47-R109 PolarHBondContact O-NH2 2.77Å; M52-R109 WeakPolarHBondContact O-CA 3.23Å; M52-R109 VanDerWaalsContact O-CD 3.29Å; M52-R109 WeakPolarHBondContact O-CD 3.33Å; C63-R109 WeakPolarHBondContact CB-O 3.44Å; V64-R109 PolarHBondContact N-O 3.16Å; V64-R109 PolarHBondContact O-N 2.89Å; W73-R109 HydrophobicContact CE3-CG 4.45Å; W73-R109 HydrophobicContact CH2-CG 3.63Å; W73-R109 HydrophobicContact CZ3-CB 4.29Å; W73-R109 HydrophobicContact CZ3-CG 3.55Å; K106-R109 PolarHBondContact O-NH1 2.85Å; K106-R109 PolarHBondContact O-NH2 2.91Å; R109-A111 PolarHBondContact O-N 2.92Å |
| 110 | V | 85.9 | Confident | 84.5 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.345 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 134.4 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | Y43 M52 P54 V112 | Y43-V110 PolarHBondContact OH-O 2.84Å; M52-V110 HydrophobicContact CE-CB 3.72Å; M52-V110 PolarHBondContact O-N 2.93Å; P54-V110 HydrophobicContact CB-CG2 4.12Å; V110-V112 PolarHBondContact O-N 3.34Å |
| 111 | A | 83.5 | Confident | 84.4 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 116.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | V62 V64 R109 M116 | V62-A111 HydrophobicContact CG1-CB 4.2Å; V64-A111 HydrophobicContact CG2-CB 4.47Å; R109-A111 PolarHBondContact O-N 2.92Å; A111-M116 HydrophobicContact CB-CE 3.59Å; A111-M116 HydrophobicContact CB-CG 3.98Å; A111-M116 HydrophobicContact CB-SD 4.11Å |
| 112 | V | 85.8 | Confident | 84.5 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 131.9 | 171.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | F42 Y43 M52 V110 S114 F115 | F42-V112 HydrophobicContact CE1-CG2 3.9Å; F42-V112 HydrophobicContact CZ-CG2 4.2Å; Y43-V112 PolarHBondContact OH-N 3.42Å; M52-V112 HydrophobicContact CE-CG2 4.36Å; M52-V112 HydrophobicContact SD-CG2 4.46Å; V110-V112 PolarHBondContact O-N 3.34Å; V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 WeakPolarHBondContact CG1-OG 3.42Å; V112-S114 PolarHBondContact O-N 2.75Å; V112-F115 HydrophobicContact CB-CD2 3.8Å; V112-F115 HydrophobicContact CB-CE2 4.12Å; V112-F115 HydrophobicContact CG1-CD2 4.44Å; V112-F115 PolarHBondContact O-N 2.99Å |
| 113 | E | 82 | Confident | 84.5 | Confident | 162 Ų | 162 | 55.1 Ų | 55.1 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.5 | -38.5 | -172 | -169.8 | 173.2 | -170.3 | 0 | 0 | 113.1 | F115 M116 Q117 | E113-F115 PolarHBondContact O-N 3.2Å; E113-M116 PolarHBondContact O-N 2.79Å; E113-Q117 WeakPolarHBondContact O-CG 3.39Å; E113-Q117 PolarHBondContact O-N 2.98Å |
| 114 | S | 83.1 | Confident | 84.7 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -28.9 | 176.8 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | V112 | V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 WeakPolarHBondContact CG1-OG 3.42Å; V112-S114 PolarHBondContact O-N 2.75Å |
| 115 | F | 85.9 | Confident | 85.1 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -85.9 | -9.6 | 177.4 | -57.2 | -47.1 | 0 | 0 | 0 | 113.9 | L35 A38 M39 F42 Y43 R75 V112 E113 | L35-F115 HydrophobicContact CD1-CB 4.47Å; L35-F115 HydrophobicContact CD1-CD1 4.12Å; A38-F115 HydrophobicContact CB-CE1 4.42Å; M39-F115 HydrophobicContact CB-CD1 3.85Å; M39-F115 HydrophobicContact CB-CD2 4.28Å; M39-F115 HydrophobicContact CB-CE1 4.01Å; M39-F115 HydrophobicContact CB-CE2 4.43Å; M39-F115 HydrophobicContact CB-CG 4.01Å; M39-F115 HydrophobicContact CB-CZ 4.31Å; M39-F115 HydrophobicContact CG-CB 4.34Å; M39-F115 HydrophobicContact CG-CD1 4.3Å; M39-F115 HydrophobicContact CG-CD2 3.91Å; M39-F115 HydrophobicContact CG-CE2 4.3Å; M39-F115 HydrophobicContact CG-CG 3.93Å; M39-F115 HydrophobicContact SD-CB 4.26Å; M39-F115 HydrophobicContact SD-CG 4.49Å; F42-F115 HydrophobicContact CB-CE2 4.1Å; F42-F115 HydrophobicContact CB-CZ 3.82Å; F42-F115 AromaticContact CD1-CE2 3.64Å; F42-F115 HydrophobicContact CD1-CE2 3.64Å; F42-F115 HydrophobicContact CD1-CZ 4.19Å; F42-F115 HydrophobicContact CE1-CE2 4.22Å; F42-F115 AromaticContact CG-CE2 3.87Å; F42-F115 HydrophobicContact CG-CE2 3.87Å; F42-F115 AromaticContact CG-CZ 3.93Å; F42-F115 HydrophobicContact CG-CZ 3.93Å; Y43-F115 AromaticContact CE2-CD2 3.78Å; Y43-F115 HydrophobicContact CE2-CD2 3.78Å; Y43-F115 AromaticContact CE2-CE2 3.93Å; Y43-F115 HydrophobicContact CE2-CE2 3.93Å; R75-F115 WeakPolarHBondContact CD-O 3.33Å; R75-F115 PolarHBondContact NH1-O 3.46Å; V112-F115 HydrophobicContact CB-CD2 3.8Å; V112-F115 HydrophobicContact CB-CE2 4.12Å; V112-F115 HydrophobicContact CG1-CD2 4.44Å; V112-F115 PolarHBondContact O-N 2.99Å; E113-F115 PolarHBondContact O-N 3.2Å |
| 116 | M | 84.7 | Confident | 85.8 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -101.2 | -3.2 | -178 | -58.8 | -61 | 142.5 | 0 | 0 | 113.1 | V62 V64 R75 A111 E113 L118 | V62-M116 HydrophobicContact CG1-CG 4.49Å; V62-M116 HydrophobicContact CG1-SD 3.62Å; V64-M116 HydrophobicContact CG2-CE 3.52Å; R75-M116 HydrophobicContact CB-CE 4.28Å; R75-M116 HydrophobicContact CG-CE 3.75Å; R75-M116 HydrophobicContact CG-SD 4.3Å; A111-M116 HydrophobicContact CB-CE 3.59Å; A111-M116 HydrophobicContact CB-CG 3.98Å; A111-M116 HydrophobicContact CB-SD 4.11Å; E113-M116 PolarHBondContact O-N 2.79Å; M116-L118 VanDerWaalsContact C-N 3.34Å; M116-L118 PolarHBondContact O-N 3.11Å |
| 117 | Q | 80.3 | Confident | 86.4 | Confident | 153 Ų | 153 | 50.3 Ų | 50.3 | 72% | 0.715 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -69 | -28.4 | -179 | -66.7 | -178.4 | -7.1 | 0 | 0 | 113.7 | E113 | E113-Q117 WeakPolarHBondContact O-CG 3.39Å; E113-Q117 PolarHBondContact O-N 2.98Å |
| 118 | L | 82.2 | Confident | 86.6 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -80.5 | 138.7 | 175.2 | -74.8 | -179.9 | 0 | 0 | 0 | 110.8 | D31 L35 R75 M116 | D31-L118 HydrophobicContact CB-CD1 4.29Å; L35-L118 HydrophobicContact CB-CD1 3.81Å; L35-L118 HydrophobicContact CD1-CD1 4.09Å; L35-L118 HydrophobicContact CD1-CG 4.48Å; L35-L118 HydrophobicContact CD2-CB 4.28Å; L35-L118 HydrophobicContact CD2-CD1 3.94Å; L35-L118 HydrophobicContact CG-CD1 4.15Å; R75-L118 PolarHBondContact NH1-O 3.07Å; M116-L118 VanDerWaalsContact C-N 3.34Å; M116-L118 PolarHBondContact O-N 3.11Å |
| 119 | P | 81.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 41% | 0.409 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 158.5 | 175.2 | 26.2 | -33.2 | 0 | 0 | 0 | 111.5 | Q28 R75 | Q28-P119 VanDerWaalsContact NE2-CG 3.28Å; R75-P119 PolarHBondContact NH2-O 3.32Å |
| 120 | Y | 88 | Confident | 86.4 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 135 | 176.7 | -55.8 | -30.2 | 0 | 0 | 0 | 111.3 | L77 V95 K123 | L77-Y120 HydrophobicContact CD1-CE2 4.4Å; V95-Y120 HydrophobicContact CB-CD1 3.79Å; V95-Y120 HydrophobicContact CB-CD2 3.83Å; V95-Y120 HydrophobicContact CB-CE1 4.18Å; V95-Y120 HydrophobicContact CB-CE2 4.22Å; V95-Y120 HydrophobicContact CB-CG 3.6Å; V95-Y120 HydrophobicContact CG1-CD1 4.45Å; V95-Y120 HydrophobicContact CG1-CD2 4.05Å; V95-Y120 HydrophobicContact CG1-CE1 4.4Å; V95-Y120 HydrophobicContact CG1-CE2 3.99Å; V95-Y120 HydrophobicContact CG1-CG 4.28Å; V95-Y120 HydrophobicContact CG2-CD1 3.34Å; V95-Y120 HydrophobicContact CG2-CD2 4.32Å; V95-Y120 HydrophobicContact CG2-CE1 3.65Å; V95-Y120 HydrophobicContact CG2-CG 3.72Å; Y120-K123 WeakPolarHBondContact O-CE 3.49Å; Y120-K123 PolarHBondContact O-NZ 3.27Å |
| 121 | R | 85.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -73.3 | -36.3 | -173 | -173.8 | 175 | 178.9 | -135.8 | 2.5 | 112.7 | I18 E29 Y32 D96 | I18-R121 HydrophobicContact CD1-CG 4.26Å; I18-R121 HydrophobicContact CG1-CG 4.34Å; I18-R121 HydrophobicContact CG2-CG 4.15Å; E29-R121 VanDerWaalsContact CD-NH2 3.33Å; E29-R121 IonicContact OE1-CZ 3.67Å; E29-R121 IonicContact OE1-NE 3.11Å; E29-R121 IonicContact OE1-NH2 3.71Å; E29-R121 PolarHBondContact OE1-NH2 3.04Å; E29-R121 IonicContact OE2-CZ 3.09Å; E29-R121 IonicContact OE2-NE 3.69Å; E29-R121 PolarHBondContact OE2-NE 2.78Å; E29-R121 IonicContact OE2-NH2 3.76Å; E29-R121 PolarHBondContact OE2-NH2 3.37Å; Y32-R121 HydrophobicContact CD2-CB 4.44Å; Y32-R121 HydrophobicContact CE2-CB 4.33Å; D96-R121 HydrophobicContact CB-CB 3.96Å; D96-R121 VanDerWaalsContact OD1-CB 3.31Å; D96-R121 WeakPolarHBondContact OD1-CB 3.39Å; D96-R121 PolarHBondContact OD1-N 2.88Å |
| 122 | A | 88.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -81.2 | 124.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L7 W16 V95 A98 | L7-A122 HydrophobicContact CD1-CB 3.74Å; W16-A122 HydrophobicContact CE3-CB 4.02Å; V95-A122 VanDerWaalsContact O-CB 3.3Å; V95-A122 WeakPolarHBondContact O-CB 3.37Å; V95-A122 PolarHBondContact O-N 3.13Å; A98-A122 HydrophobicContact CB-CB 3.87Å |
| 123 | K | 88.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 137.2 | 177.8 | -64 | -53.8 | -167.6 | 178 | 0 | 110.8 | W16 V17 I19 Y120 F125 D180 F182 | W16-K123 WeakPolarHBondContact CA-O 3.28Å; V17-K123 PolarHBondContact N-O 3.35Å; V17-K123 PolarHBondContact O-N 3.22Å; I19-K123 HydrophobicContact CD1-CG 4.47Å; Y120-K123 WeakPolarHBondContact O-CE 3.49Å; Y120-K123 PolarHBondContact O-NZ 3.27Å; K123-F125 HydrophobicContact CB-CD1 4.06Å; K123-F125 HydrophobicContact CB-CE1 3.69Å; K123-D180 IonicContact NZ-OD1 3.78Å; K123-F182 HydrophobicContact CB-CD2 4.17Å; K123-F182 HydrophobicContact CB-CE2 4.11Å; K123-F182 HydrophobicContact CD-CE2 3.91Å; K123-F182 HydrophobicContact CD-CZ 4.46Å; K123-F182 HydrophobicContact CG-CE2 4.13Å |
| 124 | K | 90.1 | Very high | 86.6 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.6 | 177.6 | -166.9 | -177 | 178.2 | -166.5 | 0 | 109.5 | C14 W16 T181 F182 | C14-K124 WeakPolarHBondContact SG-CE 3.31Å; W16-K124 HydrophobicContact CD2-CB 4.23Å; W16-K124 HydrophobicContact CD2-CG 4.43Å; W16-K124 HydrophobicContact CE3-CB 4.05Å; W16-K124 HydrophobicContact CH2-CB 3.89Å; W16-K124 HydrophobicContact CH2-CD 4.37Å; W16-K124 HydrophobicContact CH2-CG 4.35Å; W16-K124 HydrophobicContact CZ2-CB 4.06Å; W16-K124 HydrophobicContact CZ2-CD 4.02Å; W16-K124 HydrophobicContact CZ2-CG 4.02Å; W16-K124 HydrophobicContact CZ3-CB 3.88Å; K124-T181 HydrophobicContact CB-CG2 4.45Å; K124-T181 HydrophobicContact CD-CG2 4.29Å; K124-T181 HydrophobicContact CG-CG2 4.11Å; K124-T181 CarbonylContact O-C 3.42Å; K124-T181 WeakPolarHBondContact O-CA 3.5Å; K124-F182 PolarHBondContact O-N 3.16Å |
| 125 | F | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.8 | -176.4 | -84.1 | 39 | 0 | 0 | 0 | 109.9 | F2 V4 F15 V17 I19 K123 A172 F182 V184 | F2-F125 AromaticContact CE2-CE2 3.94Å; F2-F125 HydrophobicContact CE2-CE2 3.94Å; F2-F125 AromaticContact CE2-CZ 3.78Å; F2-F125 HydrophobicContact CE2-CZ 3.78Å; F2-F125 HydrophobicContact CZ-CE2 4.44Å; F2-F125 HydrophobicContact CZ-CZ 4.19Å; V4-F125 HydrophobicContact CG1-CE2 4.05Å; V4-F125 HydrophobicContact CG1-CZ 4.38Å; F15-F125 HydrophobicContact CD1-CB 4.46Å; F15-F125 HydrophobicContact CD2-CB 3.81Å; F15-F125 HydrophobicContact CE1-CB 4.11Å; F15-F125 HydrophobicContact CE2-CB 3.4Å; F15-F125 VanDerWaalsContact CE2-CB 3.4Å; F15-F125 HydrophobicContact CE2-CD2 4.07Å; F15-F125 HydrophobicContact CE2-CG 4.16Å; F15-F125 HydrophobicContact CG-CB 4.32Å; F15-F125 HydrophobicContact CZ-CB 3.57Å; F15-F125 HydrophobicContact CZ-CD2 4.38Å; F15-F125 PolarHBondContact N-O 3.4Å; F15-F125 WeakPolarHBondContact O-CA 3.3Å; F15-F125 PolarHBondContact O-N 3.38Å; V17-F125 HydrophobicContact CG1-CD2 4.31Å; V17-F125 HydrophobicContact CG1-CG 4.31Å; V17-F125 HydrophobicContact CG2-CD1 3.44Å; V17-F125 VanDerWaalsContact CG2-CD1 3.44Å; V17-F125 HydrophobicContact CG2-CD2 3.69Å; V17-F125 HydrophobicContact CG2-CE1 3.38Å; V17-F125 HydrophobicContact CG2-CE2 3.62Å; V17-F125 HydrophobicContact CG2-CG 3.64Å; V17-F125 HydrophobicContact CG2-CZ 3.48Å; V17-F125 VanDerWaalsContact CG2-CZ 3.48Å; I19-F125 HydrophobicContact CD1-CE1 4.41Å; I19-F125 HydrophobicContact CD1-CZ 4.11Å; I19-F125 HydrophobicContact CG1-CZ 4.06Å; K123-F125 HydrophobicContact CB-CD1 4.06Å; K123-F125 HydrophobicContact CB-CE1 3.69Å; F125-A172 HydrophobicContact CD2-CB 4.47Å; F125-A172 HydrophobicContact CE2-CB 3.8Å; F125-F182 CarbonylContact C-O 3.55Å; F125-F182 VanDerWaalsContact CA-O 3.28Å; F125-F182 WeakPolarHBondContact CA-O 3.21Å; F125-F182 HydrophobicContact CD1-CB 3.63Å; F125-F182 HydrophobicContact CD1-CD2 4.2Å; F125-F182 HydrophobicContact CD1-CG 4.11Å; F125-F182 HydrophobicContact CE1-CB 3.55Å; F125-F182 HydrophobicContact CE1-CD1 4.33Å; F125-F182 AromaticContact CE1-CD2 3.89Å; F125-F182 HydrophobicContact CE1-CD2 3.89Å; F125-F182 AromaticContact CE1-CG 3.66Å; F125-F182 HydrophobicContact CE1-CG 3.66Å; F125-F182 HydrophobicContact CG-CB 4.16Å; F125-F182 HydrophobicContact CZ-CB 4.05Å; F125-F182 HydrophobicContact CZ-CG 4.29Å; F125-V184 HydrophobicContact CD2-CB 4.33Å; F125-V184 HydrophobicContact CD2-CG1 3.67Å; F125-V184 HydrophobicContact CD2-CG2 3.68Å; F125-V184 HydrophobicContact CE2-CG1 3.6Å; F125-V184 HydrophobicContact CE2-CG2 4.26Å; F125-V184 HydrophobicContact CG-CG1 4.45Å; F125-V184 HydrophobicContact CZ-CG1 4.34Å |
| 126 | R | 92.4 | Very high | 85.1 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.5 | 169.6 | 71.6 | -167.2 | -51 | -143.8 | 18.1 | 111 | G13 Y128 T181 F182 E183 V184 | G13-R126 WeakPolarHBondContact O-CB 3.31Å; R126-Y128 PolarHBondContact O-N 3.07Å; R126-T181 HydrophobicContact CB-CG2 4.26Å; R126-T181 HydrophobicContact CG-CG2 4.02Å; R126-F182 PolarHBondContact N-O 3.12Å; R126-E183 VanDerWaalsContact CD-OE1 3.28Å; R126-E183 WeakPolarHBondContact CD-OE1 3.44Å; R126-E183 HydrophobicContact CG-CB 4.17Å; R126-E183 HydrophobicContact CG-CG 3.73Å; R126-E183 IonicContact CZ-OE1 2.76Å; R126-E183 IonicContact NE-OE1 3.95Å; R126-E183 IonicContact NH1-OE1 3.51Å; R126-E183 PolarHBondContact NH1-OE1 3.05Å; R126-E183 WeakPolarHBondContact O-CA 3.36Å; R126-V184 PolarHBondContact O-N 3.46Å |
| 127 | L | 91.6 | Very high | 83.6 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.8 | 177.2 | -64.9 | -171.3 | 0 | 0 | 0 | 111.1 | P12 F15 T130 F160 V184 L186 L201 | P12-L127 HydrophobicContact CB-CD1 3.82Å; P12-L127 HydrophobicContact CB-CG 4.29Å; P12-L127 WeakPolarHBondContact O-CG 3.4Å; P12-L127 PolarHBondContact O-N 3.35Å; P12-L127 VanDerWaalsContact O-N 3.08Å; F15-L127 HydrophobicContact CE1-CD2 3.96Å; F15-L127 HydrophobicContact CE1-CG 4.14Å; F15-L127 HydrophobicContact CZ-CD2 4.01Å; L127-T130 VanDerWaalsContact CB-OG1 3.23Å; L127-T130 WeakPolarHBondContact CB-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.86Å; L127-F160 HydrophobicContact CD1-CE2 4.12Å; L127-V184 WeakPolarHBondContact CA-O 3.29Å; L127-L186 HydrophobicContact CD2-CB 3.63Å; L127-L186 HydrophobicContact CD2-CD2 4.33Å; L127-L201 HydrophobicContact CD1-CD1 3.48Å; L127-L201 VanDerWaalsContact CD1-CD1 3.48Å |
| 128 | Y | 89.8 | Confident | 81.7 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 134.3 | -179 | -178.6 | -102.5 | 0 | 0 | 0 | 111.6 | R126 T130 C175 A176 E183 V184 Y185 N198 | R126-Y128 PolarHBondContact O-N 3.07Å; Y128-T130 PolarHBondContact O-N 3Å; Y128-T130 VanDerWaalsContact O-N 3.08Å; Y128-C175 HydrophobicContact CD1-CB 3.84Å; Y128-C175 HydrophobicContact CD2-CB 3.37Å; Y128-C175 HydrophobicContact CE1-CB 4.19Å; Y128-C175 HydrophobicContact CE2-CB 3.78Å; Y128-C175 HydrophobicContact CG-CB 3.4Å; Y128-A176 HydrophobicContact CE2-CB 4.34Å; Y128-E183 HydrophobicContact CD2-CB 3.75Å; Y128-E183 WeakPolarHBondContact CD2-OE2 3.27Å; Y128-E183 HydrophobicContact CG-CB 4.45Å; Y128-V184 PolarHBondContact N-O 3.09Å; Y128-Y185 HydrophobicContact CD1-CD2 4.38Å; Y128-Y185 AromaticContact CD1-CE2 3.59Å; Y128-Y185 HydrophobicContact CD1-CE2 3.59Å; Y128-Y185 AromaticContact CD1-CZ 3.96Å; Y128-Y185 HydrophobicContact CE1-CE2 4.31Å; Y128-Y185 HydrophobicContact CG-CE2 4.46Å; Y128-N198 PolarHBondContact N-ND2 3.45Å; Y128-N198 PolarHBondContact O-ND2 3.28Å |
| 129 | G | 84.3 | Confident | 79.6 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 0.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y209 V210 | G129-Y209 CarbonylContact O-C 3.58Å; G129-Y209 VanDerWaalsContact O-CA 3.28Å; G129-Y209 WeakPolarHBondContact O-CA 3.4Å; G129-Y209 WeakPolarHBondContact O-CD1 3.44Å; G129-V210 PolarHBondContact O-N 2.84Å |
| 130 | T | 88.2 | Confident | 77.4 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.3 | -179.5 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | L127 Y128 N198 V202 Y208 Y209 | L127-T130 VanDerWaalsContact CB-OG1 3.23Å; L127-T130 WeakPolarHBondContact CB-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.86Å; Y128-T130 PolarHBondContact O-N 3Å; Y128-T130 VanDerWaalsContact O-N 3.08Å; T130-N198 HydrophobicContact CG2-CB 4.06Å; T130-V202 HydrophobicContact CG2-CG2 4.23Å; T130-Y208 WeakPolarHBondContact CA-O 3.26Å; T130-Y209 HydrophobicContact CG2-CD1 4.07Å; T130-Y209 HydrophobicContact CG2-CE1 3.71Å |
| 131 | K | 87.6 | Confident | 75 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.6 | 170.2 | -73.5 | -78.2 | -177.3 | 172.7 | 0 | 109.9 | A207 Y208 V210 | K131-A207 CarbonylContact O-C 3.56Å; K131-A207 WeakPolarHBondContact O-CA 3.34Å; K131-A207 WeakPolarHBondContact O-CB 3.46Å; K131-Y208 HydrophobicContact CB-CD1 4.04Å; K131-Y208 HydrophobicContact CB-CE1 3.44Å; K131-Y208 VanDerWaalsContact CB-CE1 3.44Å; K131-Y208 HydrophobicContact CB-CE2 4.42Å; K131-Y208 PolarHBondContact N-O 3.07Å; K131-Y208 WeakPolarHBondContact O-CD1 3.37Å; K131-Y208 PolarHBondContact O-N 3.33Å; K131-V210 HydrophobicContact CB-CG2 4.16Å; K131-V210 HydrophobicContact CD-CG2 4.46Å; K131-V210 HydrophobicContact CG-CG2 3.29Å |
| 132 | P | 90 | Very high | 72.6 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 152 | 178.6 | 26.5 | -31.1 | 0 | 0 | 0 | 110.7 | A149 K151 W152 | P132-A149 HydrophobicContact CB-CB 4.32Å; P132-A149 HydrophobicContact CG-CB 4.33Å; P132-A149 PolarHBondContact O-N 2.96Å; P132-K151 WeakPolarHBondContact CB-O 3.43Å; P132-W152 HydrophobicContact CB-CB 4.4Å; P132-W152 HydrophobicContact CB-CD2 3.67Å; P132-W152 HydrophobicContact CB-CE3 3.97Å; P132-W152 HydrophobicContact CB-CG 3.87Å; P132-W152 HydrophobicContact CG-CD2 4.32Å; P132-W152 HydrophobicContact CG-CG 4.23Å |
| 133 | V | 84.4 | Confident | 70.5 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 160.3 | 166.6 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | I146 V147 N205 F206 Y208 | V133-I146 HydrophobicContact CB-CG2 3.39Å; V133-I146 HydrophobicContact CG1-CG2 3.77Å; V133-I146 HydrophobicContact CG2-CG2 3.39Å; V133-V147 CarbonylContact C-O 3.51Å; V133-V147 VanDerWaalsContact CA-O 3.24Å; V133-V147 WeakPolarHBondContact CA-O 3.34Å; V133-V147 WeakPolarHBondContact CB-O 3.48Å; V133-N205 WeakPolarHBondContact CG2-O 3.48Å; V133-F206 PolarHBondContact N-O 3.32Å; V133-Y208 HydrophobicContact CG1-CD1 3.4Å; V133-Y208 HydrophobicContact CG1-CE1 4.16Å; V133-Y208 HydrophobicContact CG1-CG 4.22Å |
| 134 | T | 79.6 | Confident | 68.8 | Low | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.2 | 169.5 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | H136 V147 A149 | T134-H136 PolarHBondContact O-N 2.69Å; T134-V147 HydrophobicContact CG2-CG2 3.71Å; T134-V147 PolarHBondContact N-O 3.2Å; T134-V147 PolarHBondContact O-N 3.21Å; T134-A149 HydrophobicContact CG2-CB 3.93Å |
| 135 | L | 73.3 | Confident | 67.8 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.5 | 169.2 | -168.7 | 68.2 | 0 | 0 | 0 | 108.3 | I137 A144 I146 | L135-I137 HydrophobicContact CD2-CD1 4.05Å; L135-I137 HydrophobicContact CD2-CG1 4.03Å; L135-I137 HydrophobicContact CG-CG1 4.02Å; L135-A144 HydrophobicContact CD1-CB 4Å; L135-A144 HydrophobicContact CG-CB 4.38Å; L135-I146 HydrophobicContact CD1-CG1 4.17Å |
| 136 | H | 63 | Low | 66.9 | Low | 102 Ų | 102 | 67.6 Ų | 67.6 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.1 | 166.7 | -171.6 | 65.4 | 0 | 0 | 0 | 108.3 | T134 E145 V147 | T134-H136 PolarHBondContact O-N 2.69Å; H136-E145 WeakPolarHBondContact CA-O 3.35Å; H136-E145 PolarHBondContact N-O 3.05Å; H136-E145 PolarHBondContact O-N 3.48Å; H136-E145 VanDerWaalsContact O-O 3.07Å; H136-V147 HydrophobicContact CB-CB 4.17Å; H136-V147 HydrophobicContact CB-CG1 3.56Å; H136-V147 HydrophobicContact CB-CG2 3.55Å |
| 137 | I | 52.9 | Low | 66.1 | Low | 67 Ų | 67 | 65.5 Ų | 65.5 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108 | 174.7 | -58.4 | 174.1 | 0 | 0 | 0 | 105.2 | L135 F139 A144 | L135-I137 HydrophobicContact CD2-CD1 4.05Å; L135-I137 HydrophobicContact CD2-CG1 4.03Å; L135-I137 HydrophobicContact CG-CG1 4.02Å; I137-F139 HydrophobicContact CB-CE1 4.18Å; I137-F139 HydrophobicContact CB-CE2 4.28Å; I137-F139 HydrophobicContact CB-CZ 3.97Å; I137-F139 HydrophobicContact CG2-CD1 3.88Å; I137-F139 HydrophobicContact CG2-CE1 3.68Å; I137-F139 HydrophobicContact CG2-CE2 4.47Å; I137-F139 HydrophobicContact CG2-CG 4.36Å; I137-F139 HydrophobicContact CG2-CZ 4.01Å; I137-F139 WeakPolarHBondContact O-CD2 3.37Å; I137-F139 WeakPolarHBondContact O-CE2 3.44Å; I137-F139 PolarHBondContact O-N 2.73Å; I137-F139 VanDerWaalsContact O-N 3.12Å; I137-A144 HydrophobicContact CG1-CB 4.22Å |
| 138 | D | 41.3 | Very low | 65.7 | Low | 56 Ų | 56 | 69.4 Ų | 69.4 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 99.8 | 169 | -167.3 | -29.9 | 0 | 0 | 0 | 107.5 | C140 E141 D142 N143 | D138-C140 PolarHBondContact O-N 3.39Å; D138-C140 WeakPolarHBondContact OD1-CA 3.42Å; D138-C140 VanDerWaalsContact OD1-CB 3.26Å; D138-C140 WeakPolarHBondContact OD1-CB 3.43Å; D138-C140 PolarHBondContact OD1-N 3.32Å; D138-E141 PolarHBondContact O-N 3.47Å; D138-D142 PolarHBondContact O-N 3.32Å; D138-D142 VanDerWaalsContact O-N 3.11Å; D138-N143 PolarHBondContact N-O 2.98Å |
| 139 | F | 38.1 | Very low | 65.4 | Low | 106 Ų | 106 | 66.1 Ų | 66.1 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12.3 | -179.5 | -61.7 | -78.5 | 0 | 0 | 0 | 112.5 | I137 K1005 | I137-F139 HydrophobicContact CB-CE1 4.18Å; I137-F139 HydrophobicContact CB-CE2 4.28Å; I137-F139 HydrophobicContact CB-CZ 3.97Å; I137-F139 HydrophobicContact CG2-CD1 3.88Å; I137-F139 HydrophobicContact CG2-CE1 3.68Å; I137-F139 HydrophobicContact CG2-CE2 4.47Å; I137-F139 HydrophobicContact CG2-CG 4.36Å; I137-F139 HydrophobicContact CG2-CZ 4.01Å; I137-F139 WeakPolarHBondContact O-CD2 3.37Å; I137-F139 WeakPolarHBondContact O-CE2 3.44Å; I137-F139 PolarHBondContact O-N 2.73Å; I137-F139 VanDerWaalsContact O-N 3.12Å; F139-K1005 WeakPolarHBondContact O-CE 3.15Å; F139-K1005 PolarHBondContact O-NZ 3.32Å |
| 140 | C | 36 | Very low | 65.1 | Low | 81 Ų | 81 | 71.9 Ų | 71.9 | 55% | 0.547 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.3 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | D138 | D138-C140 PolarHBondContact O-N 3.39Å; D138-C140 WeakPolarHBondContact OD1-CA 3.42Å; D138-C140 VanDerWaalsContact OD1-CB 3.26Å; D138-C140 WeakPolarHBondContact OD1-CB 3.43Å; D138-C140 PolarHBondContact OD1-N 3.32Å |
| 141 | E | 36.2 | Very low | 64.9 | Low | 131 Ų | 131 | 79.2 Ų | 79.2 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -1.6 | -175.6 | -60.7 | -166.4 | 167.6 | 0 | 0 | 114.9 | D138 N143 | D138-E141 PolarHBondContact O-N 3.47Å; E141-N143 HydrophobicContact CB-CB 4.38Å; E141-N143 PolarHBondContact O-N 3.4Å; E141-N143 PolarHBondContact OE2-ND2 2.88Å |
| 142 | D | 35.3 | Very low | 64.9 | Low | 139 Ų | 139 | 75.9 Ų | 75.9 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.6 | -175.9 | -133.5 | 19.4 | 0 | 0 | 0 | 112.6 | D138 | D138-D142 PolarHBondContact O-N 3.32Å; D138-D142 VanDerWaalsContact O-N 3.11Å |
| 143 | N | 45.1 | Very low | 64.6 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.6 | 178.5 | -70.9 | -38.7 | 0 | 0 | 0 | 109.6 | D138 E141 | D138-N143 PolarHBondContact N-O 2.98Å; E141-N143 HydrophobicContact CB-CB 4.38Å; E141-N143 PolarHBondContact O-N 3.4Å; E141-N143 PolarHBondContact OE2-ND2 2.88Å |
| 144 | A | 52.8 | Low | 64.5 | Low | 28 Ų | 28 | 82.4 Ų | 82.4 | 23% | 0.231 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | L135 I137 | L135-A144 HydrophobicContact CD1-CB 4Å; L135-A144 HydrophobicContact CG-CB 4.38Å; I137-A144 HydrophobicContact CG1-CB 4.22Å |
| 145 | E | 69.7 | Low | 64.7 | Low | 105 Ų | 105 | 81.6 Ų | 81.6 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142 | -178.4 | -62.8 | -164.6 | 165 | 0 | 0 | 110.5 | H136 V147 | H136-E145 WeakPolarHBondContact CA-O 3.35Å; H136-E145 PolarHBondContact N-O 3.05Å; H136-E145 PolarHBondContact O-N 3.48Å; H136-E145 VanDerWaalsContact O-O 3.07Å; E145-V147 PolarHBondContact O-N 3.06Å |
| 146 | I | 72.6 | Confident | 65.3 | Low | 59 Ų | 59 | 77 Ų | 77 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.8 | 175.9 | -66.6 | 159.4 | 0 | 0 | 0 | 107.1 | V133 L135 N205 | V133-I146 HydrophobicContact CB-CG2 3.39Å; V133-I146 HydrophobicContact CG1-CG2 3.77Å; V133-I146 HydrophobicContact CG2-CG2 3.39Å; L135-I146 HydrophobicContact CD1-CG1 4.17Å; I146-N205 HydrophobicContact CD1-CB 3.69Å |
| 147 | V | 77.4 | Confident | 66.6 | Low | 41 Ų | 41 | 73.9 Ų | 73.9 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 155.2 | -179.1 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | V133 T134 H136 E145 A149 | V133-V147 CarbonylContact C-O 3.51Å; V133-V147 VanDerWaalsContact CA-O 3.24Å; V133-V147 WeakPolarHBondContact CA-O 3.34Å; V133-V147 WeakPolarHBondContact CB-O 3.48Å; T134-V147 HydrophobicContact CG2-CG2 3.71Å; T134-V147 PolarHBondContact N-O 3.2Å; T134-V147 PolarHBondContact O-N 3.21Å; H136-V147 HydrophobicContact CB-CB 4.17Å; H136-V147 HydrophobicContact CB-CG1 3.56Å; H136-V147 HydrophobicContact CB-CG2 3.55Å; E145-V147 PolarHBondContact O-N 3.06Å; V147-A149 PolarHBondContact O-N 3.19Å |
| 148 | P | 82.8 | Confident | 68.3 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55 | 136.9 | 171.7 | -28.6 | 37.7 | 0 | 0 | 0 | 113.1 | Y208 | P148-Y208 HydrophobicContact CB-CE1 3.7Å; P148-Y208 WeakPolarHBondContact CB-OH 3.18Å; P148-Y208 HydrophobicContact CG-CE1 3.93Å |
| 149 | A | 83 | Confident | 70.6 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | trans | -117 | 160.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P132 T134 V147 | P132-A149 HydrophobicContact CB-CB 4.32Å; P132-A149 HydrophobicContact CG-CB 4.33Å; P132-A149 PolarHBondContact O-N 2.96Å; T134-A149 HydrophobicContact CG2-CB 3.93Å; V147-A149 PolarHBondContact O-N 3.19Å | ||
| 150 | T | 78.8 | Confident | 73.2 | Confident | 145 Ų | 145 | 71.6 Ų | 71.6 | 89% | 0.89 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -93.3 | -14.9 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 151 | K | 83.8 | Confident | 75.8 | Confident | 169 Ų | 169 | 70.2 Ų | 70.2 | 74% | 0.735 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -135.7 | 149.8 | 179.6 | -64.1 | -176 | 179.3 | -178.2 | 0 | 110.2 | P132 | P132-K151 WeakPolarHBondContact CB-O 3.43Š|
| 152 | W | 86.6 | Confident | 78.3 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | trans | -72.8 | 138.9 | 172.6 | -68.6 | 90.8 | 0 | 0 | 0 | 110.6 | D11 P12 P132 A156 I157 L201 F206 A207 | D11-W152 HydrophobicContact CB-CB 4.04Å; D11-W152 HydrophobicContact CB-CG 4.15Å; P12-W152 HydrophobicContact CB-CD2 4.05Å; P12-W152 HydrophobicContact CB-CE3 4.23Å; P12-W152 HydrophobicContact CB-CH2 3.75Å; P12-W152 HydrophobicContact CB-CZ2 3.61Å; P12-W152 HydrophobicContact CB-CZ3 4.08Å; P12-W152 HydrophobicContact CG-CD2 3.75Å; P12-W152 HydrophobicContact CG-CE3 3.69Å; P12-W152 HydrophobicContact CG-CG 4.36Å; P12-W152 HydrophobicContact CG-CH2 4.05Å; P12-W152 HydrophobicContact CG-CZ2 4.17Å; P12-W152 HydrophobicContact CG-CZ3 3.83Å; P132-W152 HydrophobicContact CB-CB 4.4Å; P132-W152 HydrophobicContact CB-CD2 3.67Å; P132-W152 HydrophobicContact CB-CE3 3.97Å; P132-W152 HydrophobicContact CB-CG 3.87Å; P132-W152 HydrophobicContact CG-CD2 4.32Å; P132-W152 HydrophobicContact CG-CG 4.23Å; W152-A156 HydrophobicContact CE3-CB 3.72Å; W152-A156 HydrophobicContact CZ3-CB 4.24Å; W152-I157 HydrophobicContact CB-CD1 4.15Å; W152-I157 HydrophobicContact CB-CG1 3.94Å; W152-L201 HydrophobicContact CH2-CD1 4.06Å; W152-L201 HydrophobicContact CZ3-CD1 4.18Å; W152-F206 HydrophobicContact CZ3-CB 4.4Å; W152-F206 WeakPolarHBondContact CZ3-O 3.43Å; W152-A207 HydrophobicContact CH2-CB 3.52Å; W152-A207 HydrophobicContact CZ2-CB 4.48Å; W152-A207 HydrophobicContact CZ3-CB 3.85Å | ||
| 153 | D | 83.6 | Confident | 80.8 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | trans | -76.6 | 162.1 | 175.9 | 72.6 | -5.1 | 0 | 0 | 0 | 111.5 | A155 A156 I157 | D153-A155 PolarHBondContact O-N 3.08Å; D153-A156 PolarHBondContact O-N 3.4Å; D153-A156 WeakPolarHBondContact OD1-CA 3.48Å; D153-A156 WeakPolarHBondContact OD1-CB 3.48Å; D153-A156 PolarHBondContact OD1-N 2.83Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.41Å; D153-I157 PolarHBondContact O-N 2.82Å; D153-I157 VanDerWaalsContact O-N 3.12Å | ||
| 154 | S | 83.6 | Confident | 82.8 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.2 | -30.7 | -177.6 | 53 | 0 | 0 | 0 | 0 | 112.6 | Q158 | S154-Q158 VanDerWaalsContact O-CB 3.27Å; S154-Q158 WeakPolarHBondContact O-CB 3.47Å; S154-Q158 PolarHBondContact O-N 2.98Å |
| 155 | A | 82.7 | Confident | 84.3 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D153 Q158 Y159 F206 | D153-A155 PolarHBondContact O-N 3.08Å; A155-Q158 PolarHBondContact O-N 3.41Å; A155-Y159 VanDerWaalsContact O-CB 3.26Å; A155-Y159 WeakPolarHBondContact O-CB 3.45Å; A155-Y159 PolarHBondContact O-N 3.04Å; A155-F206 HydrophobicContact CB-CE1 3.99Å |
| 156 | A | 86.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W152 D153 Y159 F160 F206 | W152-A156 HydrophobicContact CE3-CB 3.72Å; W152-A156 HydrophobicContact CZ3-CB 4.24Å; D153-A156 PolarHBondContact O-N 3.4Å; D153-A156 WeakPolarHBondContact OD1-CA 3.48Å; D153-A156 WeakPolarHBondContact OD1-CB 3.48Å; D153-A156 PolarHBondContact OD1-N 2.83Å; A156-Y159 PolarHBondContact O-N 3.21Å; A156-F160 VanDerWaalsContact O-CB 3.29Å; A156-F160 WeakPolarHBondContact O-CB 3.47Å; A156-F160 PolarHBondContact O-N 2.68Å; A156-F206 HydrophobicContact CB-CB 3.78Å; A156-F206 HydrophobicContact CB-CD1 3.49Å; A156-F206 VanDerWaalsContact CB-CD1 3.49Å; A156-F206 HydrophobicContact CB-CE1 4.2Å; A156-F206 HydrophobicContact CB-CG 3.74Å |
| 157 | I | 89.8 | Confident | 85.6 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | 178.1 | -64.5 | 166.8 | 0 | 0 | 0 | 110.1 | D11 W152 D153 Y159 F160 Q161 | D11-I157 HydrophobicContact CB-CD1 3.9Å; D11-I157 HydrophobicContact CB-CG1 3.77Å; W152-I157 HydrophobicContact CB-CD1 4.15Å; W152-I157 HydrophobicContact CB-CG1 3.94Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.41Å; D153-I157 PolarHBondContact O-N 2.82Å; D153-I157 VanDerWaalsContact O-N 3.12Å; I157-Y159 VanDerWaalsContact C-N 3.35Å; I157-Y159 PolarHBondContact O-N 3.38Å; I157-F160 PolarHBondContact O-N 3.47Å; I157-Q161 WeakPolarHBondContact O-CB 3.38Å; I157-Q161 VanDerWaalsContact O-CG 3.27Å; I157-Q161 WeakPolarHBondContact O-CG 3.32Å; I157-Q161 PolarHBondContact O-N 2.99Å |
| 158 | Q | 88 | Confident | 85.9 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 179.1 | -173.1 | 174.8 | 4.9 | 0 | 0 | 111.8 | S154 A155 Q161 N162 | S154-Q158 VanDerWaalsContact O-CB 3.27Å; S154-Q158 WeakPolarHBondContact O-CB 3.47Å; S154-Q158 PolarHBondContact O-N 2.98Å; A155-Q158 PolarHBondContact O-N 3.41Å; Q158-Q161 PolarHBondContact O-N 2.97Å; Q158-N162 WeakPolarHBondContact O-CB 3.35Å; Q158-N162 PolarHBondContact O-N 3.1Å; Q158-N162 PolarHBondContact O-ND2 3.48Å |
| 159 | Y | 90.3 | Very high | 86 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 175.4 | 179.4 | -99.1 | 0 | 0 | 0 | 111.4 | A155 A156 I157 Q161 N162 L163 D200 L201 K204 F206 | A155-Y159 VanDerWaalsContact O-CB 3.26Å; A155-Y159 WeakPolarHBondContact O-CB 3.45Å; A155-Y159 PolarHBondContact O-N 3.04Å; A156-Y159 PolarHBondContact O-N 3.21Å; I157-Y159 VanDerWaalsContact C-N 3.35Å; I157-Y159 PolarHBondContact O-N 3.38Å; Y159-Q161 VanDerWaalsContact C-N 3.32Å; Y159-Q161 PolarHBondContact O-N 3.19Å; Y159-N162 PolarHBondContact O-N 3.25Å; Y159-N162 VanDerWaalsContact O-N 3.17Å; Y159-L163 HydrophobicContact CE1-CD2 4.42Å; Y159-L163 WeakPolarHBondContact O-CB 3.47Å; Y159-L163 PolarHBondContact O-N 2.92Å; Y159-D200 VanDerWaalsContact CE1-OD2 3.23Å; Y159-D200 WeakPolarHBondContact CE1-OD2 3.47Å; Y159-D200 VanDerWaalsContact CZ-OD2 3.29Å; Y159-D200 PolarHBondContact OH-OD2 3.23Å; Y159-L201 HydrophobicContact CD1-CD2 3.81Å; Y159-L201 HydrophobicContact CE1-CD2 4.22Å; Y159-K204 HydrophobicContact CE1-CD 3.86Å; Y159-K204 HydrophobicContact CE2-CD 3.95Å; Y159-K204 VanDerWaalsContact CZ-CE 3.45Å; Y159-K204 WeakPolarHBondContact OH-CE 3.4Å; Y159-F206 HydrophobicContact CD1-CD2 4.12Å; Y159-F206 AromaticContact CD1-CE2 3.85Å; Y159-F206 HydrophobicContact CD1-CE2 3.85Å; Y159-F206 HydrophobicContact CD2-CE2 4.36Å; Y159-F206 HydrophobicContact CG-CD2 4.46Å; Y159-F206 AromaticContact CG-CE2 3.77Å; Y159-F206 HydrophobicContact CG-CE2 3.77Å; Y159-F206 HydrophobicContact CG-CZ 4.38Å |
| 160 | F | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 177.7 | -178.5 | -111.3 | 0 | 0 | 0 | 112.1 | I9 P12 F15 L127 A156 I157 L163 L164 L186 V197 L201 | I9-F160 HydrophobicContact CD1-CD1 4.38Å; I9-F160 HydrophobicContact CD1-CE1 4.34Å; I9-F160 HydrophobicContact CG1-CE1 4.34Å; I9-F160 HydrophobicContact CG2-CD1 3.62Å; I9-F160 HydrophobicContact CG2-CE1 3.78Å; P12-F160 HydrophobicContact CB-CD1 4.32Å; P12-F160 HydrophobicContact CB-CD2 4.36Å; P12-F160 HydrophobicContact CB-CE1 4.4Å; P12-F160 HydrophobicContact CB-CE2 4.42Å; P12-F160 HydrophobicContact CB-CG 4.31Å; P12-F160 HydrophobicContact CB-CZ 4.44Å; P12-F160 HydrophobicContact CG-CB 3.94Å; P12-F160 HydrophobicContact CG-CD1 3.93Å; P12-F160 HydrophobicContact CG-CD2 4.25Å; P12-F160 HydrophobicContact CG-CE1 4.49Å; P12-F160 HydrophobicContact CG-CG 3.81Å; F15-F160 HydrophobicContact CD1-CE1 4.1Å; F15-F160 AromaticContact CD1-CZ 3.99Å; F15-F160 HydrophobicContact CD1-CZ 3.99Å; F15-F160 HydrophobicContact CE1-CZ 4.02Å; F15-F160 HydrophobicContact CG-CE1 4.28Å; F15-F160 HydrophobicContact CG-CZ 4.34Å; F15-F160 HydrophobicContact CZ-CZ 4.4Å; L127-F160 HydrophobicContact CD1-CE2 4.12Å; A156-F160 VanDerWaalsContact O-CB 3.29Å; A156-F160 WeakPolarHBondContact O-CB 3.47Å; A156-F160 PolarHBondContact O-N 2.68Å; I157-F160 PolarHBondContact O-N 3.47Å; F160-L163 PolarHBondContact O-N 2.94Å; F160-L164 HydrophobicContact CD1-CD1 4.09Å; F160-L164 HydrophobicContact CD2-CD1 4.26Å; F160-L164 HydrophobicContact CE1-CD1 3.59Å; F160-L164 HydrophobicContact CE2-CD1 3.8Å; F160-L164 HydrophobicContact CE2-CG 4.43Å; F160-L164 HydrophobicContact CG-CD1 4.4Å; F160-L164 HydrophobicContact CZ-CD1 3.43Å; F160-L164 VanDerWaalsContact CZ-CD1 3.43Å; F160-L164 WeakPolarHBondContact O-CG 3.47Å; F160-L164 PolarHBondContact O-N 3.05Å; F160-L164 VanDerWaalsContact O-N 3.08Å; F160-L186 HydrophobicContact CE2-CD2 3.96Å; F160-L186 HydrophobicContact CZ-CD2 3.97Å; F160-V197 HydrophobicContact CD2-CG1 3.59Å; F160-V197 HydrophobicContact CE2-CG1 3.53Å; F160-L201 HydrophobicContact CD2-CD1 4.09Å |
| 161 | Q | 90.3 | Very high | 86.9 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 174 | -74 | 176.7 | -1.5 | 0 | 0 | 112.5 | I9 I157 Q158 Y159 L163 R165 | I9-Q161 HydrophobicContact CB-CG 4.09Å; I9-Q161 HydrophobicContact CD1-CG 4.01Å; I9-Q161 HydrophobicContact CG2-CG 3.82Å; I157-Q161 WeakPolarHBondContact O-CB 3.38Å; I157-Q161 VanDerWaalsContact O-CG 3.27Å; I157-Q161 WeakPolarHBondContact O-CG 3.32Å; I157-Q161 PolarHBondContact O-N 2.99Å; Q158-Q161 PolarHBondContact O-N 2.97Å; Y159-Q161 VanDerWaalsContact C-N 3.32Å; Y159-Q161 PolarHBondContact O-N 3.19Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-R165 WeakPolarHBondContact O-CB 3.26Å; Q161-R165 VanDerWaalsContact O-CG 3.27Å; Q161-R165 WeakPolarHBondContact O-CG 3.37Å; Q161-R165 PolarHBondContact O-N 3.04Å |
| 162 | N | 88.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.8 | -72.9 | -20.3 | 0 | 0 | 0 | 111.8 | Q158 Y159 R165 A166 | Q158-N162 WeakPolarHBondContact O-CB 3.35Å; Q158-N162 PolarHBondContact O-N 3.1Å; Q158-N162 PolarHBondContact O-ND2 3.48Å; Y159-N162 PolarHBondContact O-N 3.25Å; Y159-N162 VanDerWaalsContact O-N 3.17Å; N162-R165 PolarHBondContact O-N 2.78Å; N162-A166 WeakPolarHBondContact O-CB 3.32Å; N162-A166 PolarHBondContact O-N 3.01Å; N162-A166 VanDerWaalsContact O-N 3.07Å |
| 163 | L | 88.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -52.7 | 176.5 | -169.8 | 74.8 | 0 | 0 | 0 | 110.4 | Y159 F160 Q161 R165 A166 T167 I190 V197 | Y159-L163 HydrophobicContact CE1-CD2 4.42Å; Y159-L163 WeakPolarHBondContact O-CB 3.47Å; Y159-L163 PolarHBondContact O-N 2.92Å; F160-L163 PolarHBondContact O-N 2.94Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.17Å; L163-A166 PolarHBondContact O-N 3.04Å; L163-A166 VanDerWaalsContact O-N 3.13Å; L163-T167 VanDerWaalsContact O-CG2 3.3Å; L163-T167 WeakPolarHBondContact O-CG2 3.3Å; L163-T167 PolarHBondContact O-N 3.39Å; L163-I190 HydrophobicContact CD1-CD1 3.33Å; L163-I190 HydrophobicContact CG-CD1 4.05Å; L163-V197 HydrophobicContact CD2-CB 4.25Å; L163-V197 HydrophobicContact CD2-CG1 3.64Å; L163-V197 HydrophobicContact CD2-CG2 3.85Å |
| 164 | L | 87.4 | Confident | 87.5 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -19.6 | -179.2 | -65 | 176.4 | 0 | 0 | 0 | 113.9 | V6 I9 F160 T167 V170 L186 | V6-L164 HydrophobicContact CG2-CD1 4.28Å; I9-L164 HydrophobicContact CD1-CB 4.25Å; I9-L164 HydrophobicContact CD1-CD1 3.68Å; I9-L164 HydrophobicContact CG1-CD1 4.46Å; F160-L164 HydrophobicContact CD1-CD1 4.09Å; F160-L164 HydrophobicContact CD2-CD1 4.26Å; F160-L164 HydrophobicContact CE1-CD1 3.59Å; F160-L164 HydrophobicContact CE2-CD1 3.8Å; F160-L164 HydrophobicContact CE2-CG 4.43Å; F160-L164 HydrophobicContact CG-CD1 4.4Å; F160-L164 HydrophobicContact CZ-CD1 3.43Å; F160-L164 VanDerWaalsContact CZ-CD1 3.43Å; F160-L164 WeakPolarHBondContact O-CG 3.47Å; F160-L164 PolarHBondContact O-N 3.05Å; F160-L164 VanDerWaalsContact O-N 3.08Å; L164-T167 PolarHBondContact O-OG1 3.12Å; L164-V170 HydrophobicContact CD2-CG1 4.23Å; L164-V170 HydrophobicContact CD2-CG2 4.13Å; L164-L186 HydrophobicContact CD1-CD2 4.13Å; L164-L186 HydrophobicContact CD2-CD2 3.84Å |
| 165 | R | 84.2 | Confident | 87.7 | Confident | 195 Ų | 195 | 55.9 Ų | 55.9 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76 | -29.5 | 169.4 | -78.2 | 175.9 | -179.4 | 178.5 | 2.3 | 112.8 | Q161 N162 L163 | Q161-R165 WeakPolarHBondContact O-CB 3.26Å; Q161-R165 VanDerWaalsContact O-CG 3.27Å; Q161-R165 WeakPolarHBondContact O-CG 3.37Å; Q161-R165 PolarHBondContact O-N 3.04Å; N162-R165 PolarHBondContact O-N 2.78Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.17Å |
| 166 | A | 82.1 | Confident | 87.8 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -86.2 | -7.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N162 L163 | N162-A166 WeakPolarHBondContact O-CB 3.32Å; N162-A166 PolarHBondContact O-N 3.01Å; N162-A166 VanDerWaalsContact O-N 3.07Å; L163-A166 PolarHBondContact O-N 3.04Å; L163-A166 VanDerWaalsContact O-N 3.13Å |
| 167 | T | 86.8 | Confident | 87.6 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | trans | -83.7 | 141.4 | -177.8 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | L163 L164 V170 A188 T189 I190 | L163-T167 VanDerWaalsContact O-CG2 3.3Å; L163-T167 WeakPolarHBondContact O-CG2 3.3Å; L163-T167 PolarHBondContact O-N 3.39Å; L164-T167 PolarHBondContact O-OG1 3.12Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.22Å; T167-A188 HydrophobicContact CG2-CB 3.33Å; T167-T189 VanDerWaalsContact CA-O 3.29Å; T167-T189 WeakPolarHBondContact CA-O 3.33Å; T167-I190 HydrophobicContact CG2-CD1 4.04Å; T167-I190 HydrophobicContact CG2-CG1 3.52Å | ||
| 168 | T | 82.8 | Confident | 87.1 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 69% | 0.693 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -85.9 | -29.4 | 172.9 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | T189 | T168-T189 PolarHBondContact N-O 2.69Å; T168-T189 PolarHBondContact OG1-O 3.44Å |
| 169 | Q | 86 | Confident | 86.3 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.6 | -180 | -170.8 | -179.8 | 0.3 | 0 | 0 | 109.9 | E3 E171 T189 | E3-Q169 HydrophobicContact CG-CG 4.16Å; Q169-E171 HydrophobicContact CG-CG 4.4Å; Q169-T189 PolarHBondContact O-N 3.1Å |
| 170 | V | 90.4 | Very high | 85.6 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 109 | E3 V4 V6 L164 T167 L186 Y187 | E3-V170 WeakPolarHBondContact CA-O 3.46Å; E3-V170 WeakPolarHBondContact CG-O 3.45Å; V4-V170 HydrophobicContact CG2-CB 4.04Å; V4-V170 HydrophobicContact CG2-CG1 3.62Å; V4-V170 PolarHBondContact N-O 3.26Å; V6-V170 HydrophobicContact CG2-CG1 4.47Å; L164-V170 HydrophobicContact CD2-CG1 4.23Å; L164-V170 HydrophobicContact CD2-CG2 4.13Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.22Å; V170-L186 HydrophobicContact CG1-CD1 3.53Å; V170-L186 HydrophobicContact CG1-CD2 4.32Å; V170-L186 HydrophobicContact CG1-CG 3.91Å; V170-Y187 CarbonylContact C-O 3.52Å; V170-Y187 WeakPolarHBondContact CA-O 3.21Å |
| 171 | E | 91.1 | Very high | 85.3 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.9 | 179.6 | -63.5 | 179.1 | 121 | 0 | 0 | 110 | M1 F2 Q169 Y187 K194 | M1-E171 HydrophobicContact CG-CB 3.96Å; M1-E171 HydrophobicContact SD-CB 3.98Å; F2-E171 CarbonylContact O-C 3.58Å; F2-E171 WeakPolarHBondContact O-CA 3.18Å; Q169-E171 HydrophobicContact CG-CG 4.4Å; E171-Y187 PolarHBondContact N-O 2.77Å; E171-Y187 PolarHBondContact O-N 3.02Å; E171-K194 WeakPolarHBondContact OE2-CE 3.24Å; E171-K194 IonicContact OE2-NZ 2.65Å; E171-K194 PolarHBondContact OE2-NZ 3.05Å |
| 172 | A | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 F2 V4 F125 V184 Y185 L186 | M1-A172 CarbonylContact C-O 3.6Å; M1-A172 VanDerWaalsContact CA-O 3.24Å; M1-A172 WeakPolarHBondContact CA-O 3.35Å; M1-A172 WeakPolarHBondContact CG-O 3.42Å; F2-A172 HydrophobicContact CD2-CB 4.17Å; F2-A172 HydrophobicContact CE2-CB 3.7Å; F2-A172 HydrophobicContact CZ-CB 4.29Å; F2-A172 PolarHBondContact N-O 3.17Å; F2-A172 PolarHBondContact O-N 3.04Å; V4-A172 HydrophobicContact CG1-CB 3.86Å; V4-A172 HydrophobicContact CG2-CB 4.3Å; F125-A172 HydrophobicContact CD2-CB 4.47Å; F125-A172 HydrophobicContact CE2-CB 3.8Å; A172-V184 HydrophobicContact CB-CB 4.17Å; A172-V184 HydrophobicContact CB-CG1 4.25Å; A172-V184 HydrophobicContact CB-CG2 4.26Å; A172-Y185 WeakPolarHBondContact CA-O 3.43Å; A172-L186 HydrophobicContact CB-CD1 4.18Å |
| 173 | K | 88.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.1 | 167.7 | -179.3 | -177.1 | 178.9 | -175 | 0 | 107.9 | M1 V184 Y185 Y187 | M1-K173 HydrophobicContact CE-CB 3.98Å; M1-K173 HydrophobicContact CG-CB 4.38Å; K173-V184 CarbonylContact O-C 3.55Å; K173-V184 VanDerWaalsContact O-CA 3.26Å; K173-V184 WeakPolarHBondContact O-CA 3.49Å; K173-V184 WeakPolarHBondContact O-CB 3.35Å; K173-Y185 PolarHBondContact N-O 3.37Å; K173-Y185 PolarHBondContact O-N 3.09Å; K173-Y187 HydrophobicContact CB-CE2 4.14Å |
| 174 | L | 87.7 | Confident | 85.4 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133.7 | 176.8 | -174.8 | 60.7 | 0 | 0 | 0 | 111.3 | F2 A176 V177 F182 V184 | F2-L174 HydrophobicContact CE1-CB 3.87Å; F2-L174 HydrophobicContact CZ-CB 4.08Å; L174-A176 WeakPolarHBondContact CD1-O 3.39Å; L174-V177 HydrophobicContact CD1-CG2 3.96Å; L174-V177 HydrophobicContact CD2-CG2 4.12Å; L174-V177 HydrophobicContact CG-CG2 4.48Å; L174-F182 HydrophobicContact CD1-CB 3.95Å; L174-F182 HydrophobicContact CD1-CD1 3.67Å; L174-F182 HydrophobicContact CD1-CG 4.29Å; L174-F182 HydrophobicContact CD2-CD1 4.26Å; L174-V184 HydrophobicContact CD1-CG1 4.14Å |
| 175 | C | 86.2 | Confident | 85.5 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -47.6 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | Y128 E183 Y185 | Y128-C175 HydrophobicContact CD1-CB 3.84Å; Y128-C175 HydrophobicContact CD2-CB 3.37Å; Y128-C175 HydrophobicContact CE1-CB 4.19Å; Y128-C175 HydrophobicContact CE2-CB 3.78Å; Y128-C175 HydrophobicContact CG-CB 3.4Å; C175-E183 WeakPolarHBondContact CB-O 3.34Å; C175-E183 PolarHBondContact N-O 3.29Å; C175-Y185 WeakPolarHBondContact SG-CD2 3.49Å |
| 176 | A | 84.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y128 L174 E183 | Y128-A176 HydrophobicContact CE2-CB 4.34Å; L174-A176 WeakPolarHBondContact CD1-O 3.39Å; A176-E183 HydrophobicContact CB-CB 4.22Å; A176-E183 HydrophobicContact CB-CG 4.3Å; A176-E183 PolarHBondContact N-O 3.12Å; A176-E183 PolarHBondContact O-N 3.42Å |
| 177 | V | 84.2 | Confident | 86.4 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 120 | 172.6 | -178 | 0 | 0 | 0 | 0 | 107.8 | L174 T181 F182 | L174-V177 HydrophobicContact CD1-CG2 3.96Å; L174-V177 HydrophobicContact CD2-CG2 4.12Å; L174-V177 HydrophobicContact CG-CG2 4.48Å; V177-T181 WeakPolarHBondContact CA-O 3.32Å; V177-F182 HydrophobicContact CG2-CD1 3.84Å; V177-F182 HydrophobicContact CG2-CE1 4.04Å; V177-F182 HydrophobicContact CG2-CG 4.42Å |
| 178 | E | 78 | Confident | 86.6 | Confident | 115 Ų | 115 | 55.6 Ų | 55.6 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.5 | 177.3 | -72 | -174.3 | 171.7 | 0 | 0 | 109.1 | D180 T181 | E178-D180 PolarHBondContact O-N 3.26Å; E178-T181 PolarHBondContact N-O 3.43Å; E178-T181 WeakPolarHBondContact O-CA 3.44Å; E178-T181 VanDerWaalsContact O-CB 3.27Å; E178-T181 WeakPolarHBondContact O-CB 3.46Å; E178-T181 PolarHBondContact O-N 2.93Å |
| 179 | E | 72 | Confident | 86.9 | Confident | 198 Ų | 198 | 51.1 Ų | 51.1 | 93% | 0.925 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 52.2 | 173.6 | -60.1 | -176.7 | 173.9 | 0 | 0 | 114.4 | T181 | E179-T181 PolarHBondContact O-N 3.32Š|
| 180 | D | 76.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.8 | -177.5 | -158.4 | 31.4 | 0 | 0 | 0 | 114.9 | K123 E178 | K123-D180 IonicContact NZ-OD1 3.78Å; E178-D180 PolarHBondContact O-N 3.26Å |
| 181 | T | 84.3 | Confident | 86.3 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.8 | 172.2 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | K124 R126 V177 E178 E179 | K124-T181 HydrophobicContact CB-CG2 4.45Å; K124-T181 HydrophobicContact CD-CG2 4.29Å; K124-T181 HydrophobicContact CG-CG2 4.11Å; K124-T181 CarbonylContact O-C 3.42Å; K124-T181 WeakPolarHBondContact O-CA 3.5Å; R126-T181 HydrophobicContact CB-CG2 4.26Å; R126-T181 HydrophobicContact CG-CG2 4.02Å; V177-T181 WeakPolarHBondContact CA-O 3.32Å; E178-T181 PolarHBondContact N-O 3.43Å; E178-T181 WeakPolarHBondContact O-CA 3.44Å; E178-T181 VanDerWaalsContact O-CB 3.27Å; E178-T181 WeakPolarHBondContact O-CB 3.46Å; E178-T181 PolarHBondContact O-N 2.93Å; E179-T181 PolarHBondContact O-N 3.32Å |
| 182 | F | 88.8 | Confident | 85.8 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119.1 | -179.3 | -65.9 | -107.1 | 0 | 0 | 0 | 109.8 | K123 K124 F125 R126 L174 V177 V184 | K123-F182 HydrophobicContact CB-CD2 4.17Å; K123-F182 HydrophobicContact CB-CE2 4.11Å; K123-F182 HydrophobicContact CD-CE2 3.91Å; K123-F182 HydrophobicContact CD-CZ 4.46Å; K123-F182 HydrophobicContact CG-CE2 4.13Å; K124-F182 PolarHBondContact O-N 3.16Å; F125-F182 CarbonylContact C-O 3.55Å; F125-F182 VanDerWaalsContact CA-O 3.28Å; F125-F182 WeakPolarHBondContact CA-O 3.21Å; F125-F182 HydrophobicContact CD1-CB 3.63Å; F125-F182 HydrophobicContact CD1-CD2 4.2Å; F125-F182 HydrophobicContact CD1-CG 4.11Å; F125-F182 HydrophobicContact CE1-CB 3.55Å; F125-F182 HydrophobicContact CE1-CD1 4.33Å; F125-F182 AromaticContact CE1-CD2 3.89Å; F125-F182 HydrophobicContact CE1-CD2 3.89Å; F125-F182 AromaticContact CE1-CG 3.66Å; F125-F182 HydrophobicContact CE1-CG 3.66Å; F125-F182 HydrophobicContact CG-CB 4.16Å; F125-F182 HydrophobicContact CZ-CB 4.05Å; F125-F182 HydrophobicContact CZ-CG 4.29Å; R126-F182 PolarHBondContact N-O 3.12Å; L174-F182 HydrophobicContact CD1-CB 3.95Å; L174-F182 HydrophobicContact CD1-CD1 3.67Å; L174-F182 HydrophobicContact CD1-CG 4.29Å; L174-F182 HydrophobicContact CD2-CD1 4.26Å; V177-F182 HydrophobicContact CG2-CD1 3.84Å; V177-F182 HydrophobicContact CG2-CE1 4.04Å; V177-F182 HydrophobicContact CG2-CG 4.42Å; F182-V184 HydrophobicContact CB-CG1 4.27Å |
| 183 | E | 89.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.5 | 173.7 | -49.5 | -150.8 | 140.2 | 0 | 0 | 110.2 | R126 Y128 C175 A176 | R126-E183 VanDerWaalsContact CD-OE1 3.28Å; R126-E183 WeakPolarHBondContact CD-OE1 3.44Å; R126-E183 HydrophobicContact CG-CB 4.17Å; R126-E183 HydrophobicContact CG-CG 3.73Å; R126-E183 IonicContact CZ-OE1 2.76Å; R126-E183 IonicContact NE-OE1 3.95Å; R126-E183 IonicContact NH1-OE1 3.51Å; R126-E183 PolarHBondContact NH1-OE1 3.05Å; R126-E183 WeakPolarHBondContact O-CA 3.36Å; Y128-E183 HydrophobicContact CD2-CB 3.75Å; Y128-E183 WeakPolarHBondContact CD2-OE2 3.27Å; Y128-E183 HydrophobicContact CG-CB 4.45Å; C175-E183 WeakPolarHBondContact CB-O 3.34Å; C175-E183 PolarHBondContact N-O 3.29Å; A176-E183 HydrophobicContact CB-CB 4.22Å; A176-E183 HydrophobicContact CB-CG 4.3Å; A176-E183 PolarHBondContact N-O 3.12Å; A176-E183 PolarHBondContact O-N 3.42Å |
| 184 | V | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.5 | -170 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | F15 F125 R126 L127 Y128 A172 K173 L174 F182 N198 | F15-V184 HydrophobicContact CZ-CG2 4.21Å; F125-V184 HydrophobicContact CD2-CB 4.33Å; F125-V184 HydrophobicContact CD2-CG1 3.67Å; F125-V184 HydrophobicContact CD2-CG2 3.68Å; F125-V184 HydrophobicContact CE2-CG1 3.6Å; F125-V184 HydrophobicContact CE2-CG2 4.26Å; F125-V184 HydrophobicContact CG-CG1 4.45Å; F125-V184 HydrophobicContact CZ-CG1 4.34Å; R126-V184 PolarHBondContact O-N 3.46Å; L127-V184 WeakPolarHBondContact CA-O 3.29Å; Y128-V184 PolarHBondContact N-O 3.09Å; A172-V184 HydrophobicContact CB-CB 4.17Å; A172-V184 HydrophobicContact CB-CG1 4.25Å; A172-V184 HydrophobicContact CB-CG2 4.26Å; K173-V184 CarbonylContact O-C 3.55Å; K173-V184 VanDerWaalsContact O-CA 3.26Å; K173-V184 WeakPolarHBondContact O-CA 3.49Å; K173-V184 WeakPolarHBondContact O-CB 3.35Å; L174-V184 HydrophobicContact CD1-CG1 4.14Å; F182-V184 HydrophobicContact CB-CG1 4.27Å; V184-N198 PolarHBondContact O-ND2 3.2Å |
| 185 | Y | 90.8 | Very high | 85.4 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.4 | 151.1 | -78.4 | -79.2 | 0 | 0 | 0 | 109 | Y128 A172 K173 C175 N198 Y209 | Y128-Y185 HydrophobicContact CD1-CD2 4.38Å; Y128-Y185 AromaticContact CD1-CE2 3.59Å; Y128-Y185 HydrophobicContact CD1-CE2 3.59Å; Y128-Y185 AromaticContact CD1-CZ 3.96Å; Y128-Y185 HydrophobicContact CE1-CE2 4.31Å; Y128-Y185 HydrophobicContact CG-CE2 4.46Å; A172-Y185 WeakPolarHBondContact CA-O 3.43Å; K173-Y185 PolarHBondContact N-O 3.37Å; K173-Y185 PolarHBondContact O-N 3.09Å; C175-Y185 WeakPolarHBondContact SG-CD2 3.49Å; Y185-N198 WeakPolarHBondContact CA-OD1 3.49Å; Y185-N198 HydrophobicContact CD1-CB 3.77Å; Y185-N198 HydrophobicContact CE1-CB 3.95Å; Y185-Y209 HydrophobicContact CE1-CE1 4.07Å |
| 186 | L | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.8 | -179.3 | -165 | 70.7 | 0 | 0 | 0 | 109.9 | V4 F15 L127 F160 L164 V170 A172 V197 N198 | V4-L186 HydrophobicContact CG2-CD1 4.15Å; F15-L186 HydrophobicContact CE2-CD1 4.42Å; F15-L186 HydrophobicContact CE2-CD2 4.23Å; F15-L186 HydrophobicContact CZ-CD2 4.13Å; L127-L186 HydrophobicContact CD2-CB 3.63Å; L127-L186 HydrophobicContact CD2-CD2 4.33Å; F160-L186 HydrophobicContact CE2-CD2 3.96Å; F160-L186 HydrophobicContact CZ-CD2 3.97Å; L164-L186 HydrophobicContact CD1-CD2 4.13Å; L164-L186 HydrophobicContact CD2-CD2 3.84Å; V170-L186 HydrophobicContact CG1-CD1 3.53Å; V170-L186 HydrophobicContact CG1-CD2 4.32Å; V170-L186 HydrophobicContact CG1-CG 3.91Å; A172-L186 HydrophobicContact CB-CD1 4.18Å; L186-V197 HydrophobicContact CB-CB 4.21Å; L186-V197 HydrophobicContact CB-CG2 4.33Å; L186-V197 HydrophobicContact CD2-CB 4.5Å; L186-V197 HydrophobicContact CD2-CG2 4.28Å; L186-V197 HydrophobicContact CG-CG2 4.29Å; L186-V197 WeakPolarHBondContact O-CB 3.42Å; L186-V197 WeakPolarHBondContact O-CG2 3.46Å; L186-V197 PolarHBondContact O-N 3.34Å; L186-N198 PolarHBondContact N-OD1 2.97Å |
| 187 | Y | 91.4 | Very high | 85.9 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.8 | 178.5 | -63.2 | -91.5 | 0 | 0 | 0 | 109.7 | M1 V170 E171 K173 K194 V195 C196 | M1-Y187 HydrophobicContact CE-CD2 3.42Å; M1-Y187 VanDerWaalsContact CE-CD2 3.42Å; M1-Y187 HydrophobicContact CE-CE2 3.28Å; M1-Y187 HydrophobicContact CE-CG 4.16Å; M1-Y187 HydrophobicContact SD-CD2 4.13Å; V170-Y187 CarbonylContact C-O 3.52Å; V170-Y187 WeakPolarHBondContact CA-O 3.21Å; E171-Y187 PolarHBondContact N-O 2.77Å; E171-Y187 PolarHBondContact O-N 3.02Å; K173-Y187 HydrophobicContact CB-CE2 4.14Å; Y187-K194 HydrophobicContact CD1-CG 4.32Å; Y187-V195 CarbonylContact C-O 3.59Å; Y187-V195 WeakPolarHBondContact CA-O 3.39Å; Y187-C196 HydrophobicContact CD1-CB 3.95Å; Y187-C196 HydrophobicContact CE1-CB 3.69Å |
| 188 | A | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109 | T167 V195 V197 | T167-A188 HydrophobicContact CG2-CB 3.33Å; A188-V195 PolarHBondContact N-O 3.05Å; A188-V195 PolarHBondContact O-N 3.15Å; A188-V197 HydrophobicContact CB-CG2 3.5Å |
| 189 | T | 88.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.2 | 176.5 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | T167 T168 Q169 E193 | T167-T189 VanDerWaalsContact CA-O 3.29Å; T167-T189 WeakPolarHBondContact CA-O 3.33Å; T168-T189 PolarHBondContact N-O 2.69Å; T168-T189 PolarHBondContact OG1-O 3.44Å; Q169-T189 PolarHBondContact O-N 3.1Å; T189-E193 CarbonylContact C-O 3.21Å; T189-E193 WeakPolarHBondContact CA-O 3.31Å |
| 190 | I | 84.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.205 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124 | -178.1 | -56.8 | 174.6 | 0 | 0 | 0 | 108 | L163 T167 N192 E193 | L163-I190 HydrophobicContact CD1-CD1 3.33Å; L163-I190 HydrophobicContact CG-CD1 4.05Å; T167-I190 HydrophobicContact CG2-CD1 4.04Å; T167-I190 HydrophobicContact CG2-CG1 3.52Å; I190-N192 PolarHBondContact O-N 3.15Å; I190-E193 PolarHBondContact N-O 3.16Å; I190-E193 PolarHBondContact O-N 3.15Å |
| 191 | K | 80.9 | Confident | 88.2 | Confident | 195 Ų | 195 | 47.3 Ų | 47.3 | 85% | 0.848 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.2 | -178 | -60.3 | 178.7 | 179.9 | 178.8 | 0 | 113.9 | E193 | K191-E193 VanDerWaalsContact C-N 3.27Å; K191-E193 PolarHBondContact O-N 3.38Å |
| 192 | N | 80.3 | Confident | 88.4 | Confident | 151 Ų | 151 | 48.2 Ų | 48.2 | 81% | 0.807 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 11.7 | -174.4 | -65.4 | -6.4 | 0 | 0 | 0 | 116.3 | I190 | I190-N192 PolarHBondContact O-N 3.15Š|
| 193 | E | 81.7 | Confident | 88.2 | Confident | 141 Ų | 141 | 50.4 Ų | 50.4 | 66% | 0.659 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.1 | 170.9 | -66.1 | -173.7 | 163.6 | 0 | 0 | 110.7 | T189 I190 K191 | T189-E193 CarbonylContact C-O 3.21Å; T189-E193 WeakPolarHBondContact CA-O 3.31Å; I190-E193 PolarHBondContact N-O 3.16Å; I190-E193 PolarHBondContact O-N 3.15Å; K191-E193 VanDerWaalsContact C-N 3.27Å; K191-E193 PolarHBondContact O-N 3.38Å |
| 194 | K | 87.1 | Confident | 87.9 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.5 | -179.7 | -174.3 | 172.4 | 176.3 | 171.5 | 0 | 110.1 | M1 E171 Y187 | M1-K194 PolarHBondContact SD-NZ 3.03Å; E171-K194 WeakPolarHBondContact OE2-CE 3.24Å; E171-K194 IonicContact OE2-NZ 2.65Å; E171-K194 PolarHBondContact OE2-NZ 3.05Å; Y187-K194 HydrophobicContact CD1-CG 4.32Å |
| 195 | V | 88.3 | Confident | 87.6 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.8 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | Y187 A188 V197 D200 | Y187-V195 CarbonylContact C-O 3.59Å; Y187-V195 WeakPolarHBondContact CA-O 3.39Å; A188-V195 PolarHBondContact N-O 3.05Å; A188-V195 PolarHBondContact O-N 3.15Å; V195-V197 PolarHBondContact O-N 3.37Å; V195-D200 HydrophobicContact CG1-CB 3.95Å |
| 196 | C | 91.2 | Very high | 87.3 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 112 | 168.2 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | Y187 N198 D199 D200 | Y187-C196 HydrophobicContact CD1-CB 3.95Å; Y187-C196 HydrophobicContact CE1-CB 3.69Å; C196-N198 VanDerWaalsContact C-N 3.3Å; C196-N198 PolarHBondContact O-N 3.46Å; C196-D199 HydrophobicContact CB-CB 4.05Å; C196-D199 VanDerWaalsContact CB-OD2 3.25Å; C196-D199 WeakPolarHBondContact CB-OD2 3.5Å; C196-D199 PolarHBondContact O-N 2.89Å; C196-D199 PolarHBondContact SG-OD2 3.46Å; C196-D200 PolarHBondContact O-N 3.04Å |
| 197 | V | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -34.2 | -174.8 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | F160 L163 L186 A188 V195 D200 L201 | F160-V197 HydrophobicContact CD2-CG1 3.59Å; F160-V197 HydrophobicContact CE2-CG1 3.53Å; L163-V197 HydrophobicContact CD2-CB 4.25Å; L163-V197 HydrophobicContact CD2-CG1 3.64Å; L163-V197 HydrophobicContact CD2-CG2 3.85Å; L186-V197 HydrophobicContact CB-CB 4.21Å; L186-V197 HydrophobicContact CB-CG2 4.33Å; L186-V197 HydrophobicContact CD2-CB 4.5Å; L186-V197 HydrophobicContact CD2-CG2 4.28Å; L186-V197 HydrophobicContact CG-CG2 4.29Å; L186-V197 WeakPolarHBondContact O-CB 3.42Å; L186-V197 WeakPolarHBondContact O-CG2 3.46Å; L186-V197 PolarHBondContact O-N 3.34Å; A188-V197 HydrophobicContact CB-CG2 3.5Å; V195-V197 PolarHBondContact O-N 3.37Å; V197-D200 PolarHBondContact O-N 3.04Å; V197-L201 HydrophobicContact CG1-CD1 4.19Å; V197-L201 HydrophobicContact CG1-CG 4.38Å; V197-L201 WeakPolarHBondContact O-CG 3.48Å; V197-L201 PolarHBondContact O-N 3.29Å |
| 198 | N | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.6 | -57.1 | 52.8 | 0 | 0 | 0 | 110.7 | Y128 T130 V184 Y185 L186 C196 V202 Y209 | Y128-N198 PolarHBondContact N-ND2 3.45Å; Y128-N198 PolarHBondContact O-ND2 3.28Å; T130-N198 HydrophobicContact CG2-CB 4.06Å; V184-N198 PolarHBondContact O-ND2 3.2Å; Y185-N198 WeakPolarHBondContact CA-OD1 3.49Å; Y185-N198 HydrophobicContact CD1-CB 3.77Å; Y185-N198 HydrophobicContact CE1-CB 3.95Å; L186-N198 PolarHBondContact N-OD1 2.97Å; C196-N198 VanDerWaalsContact C-N 3.3Å; C196-N198 PolarHBondContact O-N 3.46Å; N198-V202 WeakPolarHBondContact O-CG2 3.47Å; N198-V202 PolarHBondContact O-N 3.33Å; N198-Y209 HydrophobicContact CB-CE1 4.43Å; N198-Y209 VanDerWaalsContact CB-OH 3.29Å; N198-Y209 WeakPolarHBondContact CB-OH 3.27Å |
| 199 | D | 89.2 | Confident | 87 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | -179.9 | -64.6 | -37.1 | 0 | 0 | 0 | 111.9 | C196 V202 A203 Y209 | C196-D199 HydrophobicContact CB-CB 4.05Å; C196-D199 VanDerWaalsContact CB-OD2 3.25Å; C196-D199 WeakPolarHBondContact CB-OD2 3.5Å; C196-D199 PolarHBondContact O-N 2.89Å; C196-D199 PolarHBondContact SG-OD2 3.46Å; D199-V202 PolarHBondContact O-N 3.14Å; D199-A203 WeakPolarHBondContact O-CB 3.39Å; D199-A203 PolarHBondContact O-N 3.1Å; D199-Y209 PolarHBondContact N-OH 2.91Å; D199-Y209 WeakPolarHBondContact OD1-CE2 3.4Å; D199-Y209 PolarHBondContact OD1-OH 3.24Å |
| 200 | D | 89.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | -179.9 | -173.2 | 64.6 | 0 | 0 | 0 | 112.3 | Y159 V195 C196 V197 V202 A203 K204 | Y159-D200 VanDerWaalsContact CE1-OD2 3.23Å; Y159-D200 WeakPolarHBondContact CE1-OD2 3.47Å; Y159-D200 VanDerWaalsContact CZ-OD2 3.29Å; Y159-D200 PolarHBondContact OH-OD2 3.23Å; V195-D200 HydrophobicContact CG1-CB 3.95Å; C196-D200 PolarHBondContact O-N 3.04Å; V197-D200 PolarHBondContact O-N 3.04Å; D200-V202 VanDerWaalsContact C-N 3.33Å; D200-V202 PolarHBondContact O-N 3.36Å; D200-A203 PolarHBondContact O-N 2.95Å; D200-K204 WeakPolarHBondContact O-CB 3.41Å; D200-K204 WeakPolarHBondContact O-CG 3.3Å; D200-K204 PolarHBondContact O-N 3.15Å |
| 201 | L | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 173.3 | -72.5 | 174 | 0 | 0 | 0 | 112.2 | P12 L127 W152 Y159 F160 V197 N205 F206 A207 | P12-L201 HydrophobicContact CB-CD1 4.04Å; P12-L201 HydrophobicContact CG-CD1 4.17Å; L127-L201 HydrophobicContact CD1-CD1 3.48Å; L127-L201 VanDerWaalsContact CD1-CD1 3.48Å; W152-L201 HydrophobicContact CH2-CD1 4.06Å; W152-L201 HydrophobicContact CZ3-CD1 4.18Å; Y159-L201 HydrophobicContact CD1-CD2 3.81Å; Y159-L201 HydrophobicContact CE1-CD2 4.22Å; F160-L201 HydrophobicContact CD2-CD1 4.09Å; V197-L201 HydrophobicContact CG1-CD1 4.19Å; V197-L201 HydrophobicContact CG1-CG 4.38Å; V197-L201 WeakPolarHBondContact O-CG 3.48Å; V197-L201 PolarHBondContact O-N 3.29Å; L201-N205 PolarHBondContact O-N 3.04Å; L201-F206 HydrophobicContact CB-CB 4.4Å; L201-F206 HydrophobicContact CD2-CB 4.04Å; L201-F206 HydrophobicContact CD2-CD2 3.97Å; L201-F206 HydrophobicContact CD2-CG 4.35Å; L201-F206 WeakPolarHBondContact O-CB 3.3Å; L201-F206 PolarHBondContact O-N 3.46Å; L201-A207 HydrophobicContact CB-CB 4.4Å; L201-A207 PolarHBondContact O-N 3.3Å |
| 202 | V | 87.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -44.8 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 111 | T130 N198 D199 D200 K204 N205 A207 Y209 | T130-V202 HydrophobicContact CG2-CG2 4.23Å; N198-V202 WeakPolarHBondContact O-CG2 3.47Å; N198-V202 PolarHBondContact O-N 3.33Å; D199-V202 PolarHBondContact O-N 3.14Å; D200-V202 VanDerWaalsContact C-N 3.33Å; D200-V202 PolarHBondContact O-N 3.36Å; V202-K204 PolarHBondContact O-N 3.06Å; V202-N205 PolarHBondContact O-N 2.86Å; V202-A207 WeakPolarHBondContact CA-O 3.26Å; V202-A207 HydrophobicContact CG2-CB 4.08Å; V202-Y209 HydrophobicContact CB-CE2 4.31Å; V202-Y209 HydrophobicContact CG1-CD2 4.25Å; V202-Y209 HydrophobicContact CG1-CE2 4.45Å; V202-Y209 HydrophobicContact CG2-CD2 3.94Å; V202-Y209 HydrophobicContact CG2-CE2 3.86Å; V202-Y209 HydrophobicContact CG2-CG 4.45Å |
| 203 | A | 85.2 | Confident | 81.6 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 65% | 0.653 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62 | -29.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D199 D200 N205 | D199-A203 WeakPolarHBondContact O-CB 3.39Å; D199-A203 PolarHBondContact O-N 3.1Å; D200-A203 PolarHBondContact O-N 2.95Å; A203-N205 VanDerWaalsContact C-N 3.33Å |
| 204 | K | 83.7 | Confident | 79.3 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 8.9 | 176.4 | -69.6 | -174 | -177.2 | -60 | 0 | 114.3 | Y159 D200 V202 F206 | Y159-K204 HydrophobicContact CE1-CD 3.86Å; Y159-K204 HydrophobicContact CE2-CD 3.95Å; Y159-K204 VanDerWaalsContact CZ-CE 3.45Å; Y159-K204 WeakPolarHBondContact OH-CE 3.4Å; D200-K204 WeakPolarHBondContact O-CB 3.41Å; D200-K204 WeakPolarHBondContact O-CG 3.3Å; D200-K204 PolarHBondContact O-N 3.15Å; V202-K204 PolarHBondContact O-N 3.06Å; K204-F206 HydrophobicContact CB-CD2 3.63Å; K204-F206 HydrophobicContact CB-CE2 3.8Å; K204-F206 HydrophobicContact CD-CE2 4.2Å; K204-F206 PolarHBondContact O-N 2.85Å |
| 205 | N | 85.3 | Confident | 76.4 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 30.8 | -178.3 | -60.7 | -44.6 | 0 | 0 | 0 | 114 | V133 I146 L201 V202 A203 | V133-N205 WeakPolarHBondContact CG2-O 3.48Å; I146-N205 HydrophobicContact CD1-CB 3.69Å; L201-N205 PolarHBondContact O-N 3.04Å; V202-N205 PolarHBondContact O-N 2.86Å; A203-N205 VanDerWaalsContact C-N 3.33Å |
| 206 | F | 84.7 | Confident | 74.2 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -89.9 | -20 | 169.3 | -68.7 | -57.4 | 0 | 0 | 0 | 112.3 | V133 W152 A155 A156 Y159 L201 K204 | V133-F206 PolarHBondContact N-O 3.32Å; W152-F206 HydrophobicContact CZ3-CB 4.4Å; W152-F206 WeakPolarHBondContact CZ3-O 3.43Å; A155-F206 HydrophobicContact CB-CE1 3.99Å; A156-F206 HydrophobicContact CB-CB 3.78Å; A156-F206 HydrophobicContact CB-CD1 3.49Å; A156-F206 VanDerWaalsContact CB-CD1 3.49Å; A156-F206 HydrophobicContact CB-CE1 4.2Å; A156-F206 HydrophobicContact CB-CG 3.74Å; Y159-F206 HydrophobicContact CD1-CD2 4.12Å; Y159-F206 AromaticContact CD1-CE2 3.85Å; Y159-F206 HydrophobicContact CD1-CE2 3.85Å; Y159-F206 HydrophobicContact CD2-CE2 4.36Å; Y159-F206 HydrophobicContact CG-CD2 4.46Å; Y159-F206 AromaticContact CG-CE2 3.77Å; Y159-F206 HydrophobicContact CG-CE2 3.77Å; Y159-F206 HydrophobicContact CG-CZ 4.38Å; L201-F206 HydrophobicContact CB-CB 4.4Å; L201-F206 HydrophobicContact CD2-CB 4.04Å; L201-F206 HydrophobicContact CD2-CD2 3.97Å; L201-F206 HydrophobicContact CD2-CG 4.35Å; L201-F206 WeakPolarHBondContact O-CB 3.3Å; L201-F206 PolarHBondContact O-N 3.46Å; K204-F206 HydrophobicContact CB-CD2 3.63Å; K204-F206 HydrophobicContact CB-CE2 3.8Å; K204-F206 HydrophobicContact CD-CE2 4.2Å; K204-F206 PolarHBondContact O-N 2.85Å |
| 207 | A | 90.5 | Very high | 71.4 | Confident | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.033 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 170 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K131 W152 L201 V202 | K131-A207 CarbonylContact O-C 3.56Å; K131-A207 WeakPolarHBondContact O-CA 3.34Å; K131-A207 WeakPolarHBondContact O-CB 3.46Å; W152-A207 HydrophobicContact CH2-CB 3.52Å; W152-A207 HydrophobicContact CZ2-CB 4.48Å; W152-A207 HydrophobicContact CZ3-CB 3.85Å; L201-A207 HydrophobicContact CB-CB 4.4Å; L201-A207 PolarHBondContact O-N 3.3Å; V202-A207 WeakPolarHBondContact CA-O 3.26Å; V202-A207 HydrophobicContact CG2-CB 4.08Å |
| 208 | Y | 89 | Confident | 68.5 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.2 | 166.5 | 71.9 | -76.1 | 0 | 0 | 0 | 110.5 | T130 K131 V133 P148 | T130-Y208 WeakPolarHBondContact CA-O 3.26Å; K131-Y208 HydrophobicContact CB-CD1 4.04Å; K131-Y208 HydrophobicContact CB-CE1 3.44Å; K131-Y208 VanDerWaalsContact CB-CE1 3.44Å; K131-Y208 HydrophobicContact CB-CE2 4.42Å; K131-Y208 PolarHBondContact N-O 3.07Å; K131-Y208 WeakPolarHBondContact O-CD1 3.37Å; K131-Y208 PolarHBondContact O-N 3.33Å; V133-Y208 HydrophobicContact CG1-CD1 3.4Å; V133-Y208 HydrophobicContact CG1-CE1 4.16Å; V133-Y208 HydrophobicContact CG1-CG 4.22Å; P148-Y208 HydrophobicContact CB-CE1 3.7Å; P148-Y208 WeakPolarHBondContact CB-OH 3.18Å; P148-Y208 HydrophobicContact CG-CE1 3.93Å |
| 209 | Y | 89.6 | Confident | 65.4 | Low | 77 Ų | 77 | 95 Ų | 95 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.7 | 173.7 | -78.8 | -65.3 | 0 | 0 | 0 | 111.3 | G129 T130 Y185 N198 D199 V202 S211 | G129-Y209 CarbonylContact O-C 3.58Å; G129-Y209 VanDerWaalsContact O-CA 3.28Å; G129-Y209 WeakPolarHBondContact O-CA 3.4Å; G129-Y209 WeakPolarHBondContact O-CD1 3.44Å; T130-Y209 HydrophobicContact CG2-CD1 4.07Å; T130-Y209 HydrophobicContact CG2-CE1 3.71Å; Y185-Y209 HydrophobicContact CE1-CE1 4.07Å; N198-Y209 HydrophobicContact CB-CE1 4.43Å; N198-Y209 VanDerWaalsContact CB-OH 3.29Å; N198-Y209 WeakPolarHBondContact CB-OH 3.27Å; D199-Y209 PolarHBondContact N-OH 2.91Å; D199-Y209 WeakPolarHBondContact OD1-CE2 3.4Å; D199-Y209 PolarHBondContact OD1-OH 3.24Å; V202-Y209 HydrophobicContact CB-CE2 4.31Å; V202-Y209 HydrophobicContact CG1-CD2 4.25Å; V202-Y209 HydrophobicContact CG1-CE2 4.45Å; V202-Y209 HydrophobicContact CG2-CD2 3.94Å; V202-Y209 HydrophobicContact CG2-CE2 3.86Å; V202-Y209 HydrophobicContact CG2-CG 4.45Å; Y209-S211 PolarHBondContact O-N 3.11Å |
| 210 | V | 80.5 | Confident | 62.8 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 116.8 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | G129 K131 | G129-V210 PolarHBondContact O-N 2.84Å; K131-V210 HydrophobicContact CB-CG2 4.16Å; K131-V210 HydrophobicContact CD-CG2 4.46Å; K131-V210 HydrophobicContact CG-CG2 3.29Å |
| 211 | S | 55 | Low | 59.9 | Low | 85 Ų | 85 | 103 Ų | 103 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.8 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 109.8 | Y209 M213 | Y209-S211 PolarHBondContact O-N 3.11Å; S211-M213 PolarHBondContact O-N 3.43Å |
| 212 | P | 48.7 | Very low | 57 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 85% | 0.851 | 61% | 0.61 | S | S | * | * | trans | -71 | 98.8 | 175.4 | 27 | -30.6 | 0 | 0 | 0 | 109.6 | G214 | P212-G214 PolarHBondContact O-N 3.08Š| ||
| 213 | M | 36.1 | Very low | 54 | Low | 183 Ų | 183 | 118.9 Ų | 118.9 | 90% | 0.901 | 64% | 0.639 | S | S | * | * | trans | -80.4 | 100.4 | 166.4 | -91.2 | -83.6 | -171.7 | 0 | 0 | 108.8 | S211 | S211-M213 PolarHBondContact O-N 3.43Š| ||
| 214 | G | 33.2 | Very low | 51.1 | Low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | trans | 93.2 | 82.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | P212 | P212-G214 PolarHBondContact O-N 3.08Š| ||
| 215 | N | 27.1 | Very low | 48.4 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 90% | 0.904 | 67% | 0.668 | S | S | * | * | trans | -136 | 116 | 140.5 | -113.6 | -13.5 | 0 | 0 | 0 | 109.2 | ||||
| 216 | K | 40.5 | Very low | 45.5 | Very low | 198 Ų | 198 | 133 Ų | 133 | 86% | 0.861 | 69% | 0.692 | S | S | * | * | trans | -72.8 | 137.9 | 173 | -73.6 | 178.9 | 177.2 | 176.4 | 0 | 108.4 | ||||
| 217 | N | 33.8 | Very low | 42.7 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | 87.2 | 100.9 | 174.6 | -52.6 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 218 | L | 29.3 | Very low | 39.6 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | -170.4 | 143.7 | 122.4 | -91.3 | 162.9 | 0 | 0 | 0 | 109 | |||||
| 219 | N | 26.6 | Very low | 36.6 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 156.3 | -164.9 | -79.3 | -30.1 | 0 | 0 | 0 | 115.5 | ||||
| 220 | P | 34.8 | Very low | 33.5 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -94 | 116.5 | -176.9 | 34.5 | -28.2 | 0 | 0 | 0 | 113 | ||||
| 221 | L | 28.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | -168.2 | 120.9 | 161.2 | -123.9 | 81.7 | 0 | 0 | 0 | 103.9 | ||||
| 222 | E | 27.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | cis | -147.9 | 142.5 | 33.8 | -66.7 | 170.3 | 139.8 | 0 | 0 | 109.2 | ||||
| 223 | K | 24.4 | Very low | 28.2 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 140.8 | 163 | -79.7 | -179.4 | 174.7 | 179.4 | 0 | 108.7 | ||
| 224 | P | 24.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 120.1 | 142.9 | -0.1 | 19.5 | 0 | 0 | 0 | 108.4 | ||
| 225 | R | 26.4 | Very low | 27.9 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 134.4 | 170.8 | -68.6 | 175.3 | 172.8 | 178.8 | -3.1 | 109.1 | ||
| 226 | Q | 25.2 | Very low | 28 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | -163.4 | 133.4 | 123.5 | -103 | 166.8 | 14.2 | 0 | 0 | 111.2 | |||||
| 227 | S | 26.2 | Very low | 27.6 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -48.5 | 136.5 | -171.2 | 48.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 228 | L | 24.9 | Very low | 27.2 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | -157.6 | 149.4 | 114.2 | -141.9 | 70.5 | 0 | 0 | 0 | 110.6 | |||||
| 229 | N | 24.7 | Very low | 27 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -53.6 | 144.4 | -162.4 | -63.4 | -36.6 | 0 | 0 | 0 | 116.1 | V231 | N229-V231 PolarHBondContact O-N 2.97Š| ||
| 230 | S | 24.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -55.5 | 121.7 | 166.5 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 231 | V | 23.6 | Very low | 26.7 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -109.1 | 112.4 | 161.9 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | N229 C233 | N229-V231 PolarHBondContact O-N 2.97Å; V231-C233 PolarHBondContact O-N 3.2Å | ||
| 232 | T | 25.1 | Very low | 26.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -54.4 | 113.5 | 158.7 | 24.7 | 0 | 0 | 0 | 0 | 108.3 | S234 | T232-S234 PolarHBondContact O-N 3.34Š| ||
| 233 | C | 25.8 | Very low | 26.5 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 72% | 0.716 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 94 | -178.8 | -163.4 | 0 | 0 | 0 | 0 | 110 | V231 | V231-C233 PolarHBondContact O-N 3.2Š| ||
| 234 | S | 29.2 | Very low | 26.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -103.8 | 86.7 | 155.4 | 62.8 | 0 | 0 | 0 | 0 | 107.5 | T232 K236 | T232-S234 PolarHBondContact O-N 3.34Å; S234-K236 PolarHBondContact O-N 3.26Å | ||
| 235 | S | 33.9 | Very low | 26.8 | Very low | 58 Ų | 58 | 139.7 Ų | 139.7 | 41% | 0.406 | 78% | 0.775 | S | S | . | * | trans | -96.8 | 87.1 | 177.7 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | L237 | S235-L237 PolarHBondContact O-N 3.46Š| ||
| 236 | K | 27.6 | Very low | 26.7 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.4 | 158.1 | -73.2 | -173.2 | 175.2 | -168.4 | 0 | 107.6 | S234 | S234-K236 PolarHBondContact O-N 3.26Š|
| 237 | L | 32.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 57% | 0.571 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 124.3 | 175.3 | -77.1 | 163.7 | 0 | 0 | 0 | 109.7 | S235 | S235-L237 PolarHBondContact O-N 3.46Š|
| 238 | S | 26.1 | Very low | 26.7 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 130.2 | 169.7 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | S240 | S238-S240 PolarHBondContact O-N 2.93Š|
| 239 | P | 25.9 | Very low | 26.7 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 86.6 | -177.3 | 33.5 | -30.6 | 0 | 0 | 0 | 111.3 | ||||
| 240 | S | 27 | Very low | 26.6 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -144.9 | 127.6 | 158.3 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | S238 | S238-S240 PolarHBondContact O-N 2.93Š| ||
| 241 | L | 27.1 | Very low | 26.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 80.3 | 97.4 | 177.4 | -53.9 | 166.5 | 0 | 0 | 0 | 117.1 | ||||
| 242 | T | 25.6 | Very low | 26.5 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | -179.7 | 121.8 | 110.9 | 17.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 243 | L | 25 | Very low | 26.4 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -146.7 | 114 | 145.2 | -88.4 | 173.5 | 0 | 0 | 0 | 105.9 | ||||
| 244 | W | 25.6 | Very low | 26.3 | Very low | 252 Ų | 252 | 149.1 Ų | 149.1 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | trans | -174.5 | 168.7 | 131.9 | -111.9 | -19 | 0 | 0 | 0 | 115.8 | ||||
| 245 | P | 31.7 | Very low | 26 | Very low | 110 Ų | 110 | 155.3 Ų | 155.3 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | trans | -108.6 | 174.9 | -136.6 | 34 | -13.1 | 0 | 0 | 0 | 113.3 | ||||
| 246 | M | 23.4 | Very low | 25.4 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 86% | 0.862 | 82% | 0.816 | S | S | * | * | trans | -70.3 | 138.5 | 173.6 | -66.3 | -178.7 | 69.3 | 0 | 0 | 112.6 | ||||
| 247 | L | 24.1 | Very low | 25.2 | Very low | 172 Ų | 172 | 161.3 Ų | 161.3 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -150 | 136.2 | 140.5 | -106.8 | 164.6 | 0 | 0 | 0 | 109.9 | ||||
| 248 | L | 27 | Very low | 24.7 | Very low | 152 Ų | 152 | 163.4 Ų | 163.4 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | trans | -65.1 | 135.6 | -177 | -72.9 | 143.6 | 0 | 0 | 0 | 112.8 | ||||
| 249 | Q | 24.6 | Very low | 24.7 | Very low | 201 Ų | 201 | 168.5 Ų | 168.5 | 94% | 0.939 | 84% | 0.843 | S | S | * | * | 178.3 | 135.7 | 126.4 | -101.1 | 176.9 | 12.5 | 0 | 0 | 111.3 | |||||
| 250 | G | 22.4 | Very low | 24.5 | Very low | 69 Ų | 69 | 166.4 Ų | 166.4 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | 115.9 | 83 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 251 | K | 24.1 | Very low | 24.3 | Very low | 190 Ų | 190 | 168.7 Ų | 168.7 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | 56.5 | 114.1 | 128.3 | -65.1 | -178.2 | 175.4 | -178.9 | 0 | 120.1 | |||||
| 252 | D | 23.5 | Very low | 24.1 | Very low | 145 Ų | 145 | 167.1 Ų | 167.1 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | 53.7 | 103.9 | 128.8 | -52 | -28.3 | 0 | 0 | 0 | 119.2 | |||||
| 253 | Y | 21.5 | Very low | 23.9 | Very low | 232 Ų | 232 | 168.6 Ų | 168.6 | 91% | 0.91 | 82% | 0.824 | S | S | * | * | trans | -98.2 | 128.6 | 148.8 | -92.7 | -92.6 | 0 | 0 | 0 | 108.9 | ||||
| 254 | H | 24.7 | Very low | 23.8 | Very low | 184 Ų | 184 | 167.8 Ų | 167.8 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -132.2 | 133.1 | 154.6 | -97 | -66.7 | 0 | 0 | 0 | 109.4 | ||||
| 255 | R | 22.7 | Very low | 23.7 | Very low | 245 Ų | 245 | 162.1 Ų | 162.1 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 118.1 | 141.7 | -154.9 | 178.5 | -152.8 | -172.1 | 6.8 | 112.8 | ||||
| 256 | M | 22.1 | Very low | 23.3 | Very low | 172 Ų | 172 | 161 Ų | 161 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -174.8 | 129.9 | 130.4 | -97.4 | 171.8 | 108.7 | 0 | 0 | 103.4 | ||||
| 257 | E | 21.9 | Very low | 23.4 | Very low | 179 Ų | 179 | 160 Ų | 160 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | -160.3 | 168.3 | 57.6 | -72.9 | -178.9 | 135.8 | 0 | 0 | 112.7 | |||||
| 258 | N | 23.8 | Very low | 23.4 | Very low | 152 Ų | 152 | 157 Ų | 157 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -26.9 | 138.5 | 165.1 | -62.7 | -41.1 | 0 | 0 | 0 | 118.6 | ||||
| 259 | K | 24.5 | Very low | 23.2 | Very low | 209 Ų | 209 | 157 Ų | 157 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | -174.6 | 144.3 | 115.9 | -103 | 169 | -177.6 | 174.9 | 0 | 112.2 | |||||
| 260 | A | 23 | Very low | 23.2 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 151.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 261 | L | 22.6 | Very low | 24 | Very low | 142 Ų | 142 | 153.7 Ų | 153.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 171.1 | 135.1 | 111.8 | -126.5 | 76.9 | 0 | 0 | 0 | 110.5 | |||||
| 262 | N | 22.3 | Very low | 24 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 58.1 | 140.8 | 139.1 | -71.2 | -2.7 | 0 | 0 | 0 | 119.6 | ||||
| 263 | Y | 21.1 | Very low | 23.9 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | cis | -175.1 | 143.9 | -1.6 | -148.3 | -114 | 0 | 0 | 0 | 103.6 | ||||
| 264 | K | 23.1 | Very low | 23.9 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 47.2 | 142.4 | 148.8 | -75 | -168.2 | -178.4 | -174.9 | 0 | 119.7 | ||||
| 265 | D | 23.6 | Very low | 23.7 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -171.5 | 159.2 | 21.1 | -97.7 | -24.2 | 0 | 0 | 0 | 101.5 | ||||
| 266 | S | 24.2 | Very low | 23.7 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | cis | 178.4 | 146.8 | 12.1 | 39.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 267 | L | 24.9 | Very low | 23.8 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | 55.6 | 130.1 | 139.1 | -60.6 | 162.1 | 0 | 0 | 0 | 116.5 | ||||
| 268 | T | 23.3 | Very low | 23.8 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | cis | 167 | 146.6 | 33.3 | 16 | 0 | 0 | 0 | 0 | 101 | ||||
| 269 | D | 24.6 | Very low | 23.7 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | cis | -148 | 149.1 | 20 | -102.8 | -40.6 | 0 | 0 | 0 | 109.5 | ||||
| 270 | S | 23.2 | Very low | 23.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -91.6 | -173.3 | 172.9 | -87.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 271 | P | 39.6 | Very low | 23.4 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 62% | 0.623 | 72% | 0.724 | S | S | * | * | cis | -151.6 | -179 | -44.7 | 42.9 | -26.8 | 0 | 0 | 0 | 114.8 | ||||
| 272 | K | 23.8 | Very low | 23.2 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | 58.2 | 157.6 | 128.5 | -77.1 | 170.2 | -179.5 | -176.8 | 0 | 119.2 | |||||
| 273 | M | 21.7 | Very low | 23.6 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 64% | 0.635 | 73% | 0.727 | S | S | * | * | cis | -170 | 156.3 | -4.1 | -122.1 | 167.9 | 112.8 | 0 | 0 | 107.6 | ||||
| 274 | M | 21.3 | Very low | 23.6 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | 26.7 | 142.3 | 129.7 | -66 | -164 | 139.5 | 0 | 0 | 120.8 | |||||
| 275 | L | 21.6 | Very low | 23.6 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | -165.7 | 152.2 | 99.3 | -135.1 | 81.8 | 0 | 0 | 0 | 114 | |||||
| 276 | E | 21.3 | Very low | 23.5 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | trans | -74.4 | 160.9 | 171.7 | -68.7 | -179.7 | 104.3 | 0 | 0 | 114.7 | ||||
| 277 | K | 24.7 | Very low | 23.3 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | trans | 59.7 | 133.7 | 135.1 | -79.4 | 170.9 | -177.1 | 147.4 | 0 | 121.9 | ||||
| 278 | Q | 21.3 | Very low | 23.2 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | 146.5 | 157.3 | 108.4 | -114.4 | 175.2 | 8.4 | 0 | 0 | 114.5 | |||||
| 279 | Q | 22 | Very low | 23.1 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -86.5 | 163.7 | -169.2 | -85.9 | 171.6 | -31.2 | 0 | 0 | 115.5 | ||||
| 280 | Q | 20.7 | Very low | 22.9 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | 92.4 | 116 | 145 | -84.7 | 174.8 | 5 | 0 | 0 | 123.2 | ||||
| 281 | S | 20.3 | Very low | 22.8 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 76.9 | 118.8 | 128.6 | 65.2 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 282 | L | 17.8 | Very low | 21.9 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 70.6 | 162.6 | 137.6 | -66 | 162.3 | 0 | 0 | 0 | 121 | ||||
| 283 | P | 32.2 | Very low | 21.9 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -141.2 | -174.8 | -39.3 | 36.8 | -16.2 | 0 | 0 | 0 | 116.1 | ||||
| 284 | L | 21.5 | Very low | 21.9 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 90.9 | 111.3 | 150.9 | -80.2 | 153.9 | 0 | 0 | 0 | 124.6 | ||||
| 285 | K | 21.5 | Very low | 21.9 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | 47.8 | 129.4 | 129.5 | -73.2 | -179.7 | -167.8 | -179.5 | 0 | 125 | |||||
| 286 | H | 22.1 | Very low | 21.9 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | -177.6 | 110.6 | 122.1 | -102.3 | -78.3 | 0 | 0 | 0 | 107.3 | |||||
| 287 | T | 20.8 | Very low | 21.9 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | 62.8 | 104.4 | 72.9 | -27.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 288 | E | 22.5 | Very low | 21.9 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 170.8 | 141.6 | 140.5 | -95.2 | 178.9 | -174.6 | 0 | 0 | 107 | ||||
| 289 | K | 21.7 | Very low | 22.2 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | cis | -176.6 | 144 | -12 | -131.3 | -179.9 | -176 | 174.7 | 0 | 103.7 | ||||
| 290 | C | 19.6 | Very low | 22.7 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -63 | 152.4 | -171.6 | -62.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | T | 20.5 | Very low | 22.9 | Very low | 148 Ų | 148 | 154 Ų | 154 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | -143 | 114.5 | 126.6 | 30 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 292 | E | 21.6 | Very low | 23.2 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 139.9 | 171.1 | -69.4 | 172.4 | 144.4 | 0 | 0 | 110.7 | ||||
| 293 | S | 22.2 | Very low | 23.6 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -133.2 | 104.8 | 145.4 | 65.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 294 | S | 22.3 | Very low | 23.2 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 126.1 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 295 | V | 22 | Very low | 23.4 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -131 | 103 | 143.3 | -177 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 296 | Y | 20.6 | Very low | 23.5 | Very low | 205 Ų | 205 | 154.5 Ų | 154.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 120.6 | -177.7 | -155.5 | -95.5 | 0 | 0 | 0 | 108.6 | ||||
| 297 | W | 22.8 | Very low | 23.7 | Very low | 222 Ų | 222 | 150 Ų | 150 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -117.4 | 137.8 | 159.5 | -71.8 | 116.4 | 0 | 0 | 0 | 109.2 | ||||
| 298 | P | 24.8 | Very low | 23.8 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -78.2 | 141.8 | -165.3 | 30.1 | -32.5 | 0 | 0 | 0 | 113 | ||||
| 299 | T | 26.1 | Very low | 24 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -58.5 | 141 | 173.8 | -29.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 300 | K | 33.5 | Very low | 24.2 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | 49.1 | 94.9 | 156.9 | -76.3 | 175 | 179.7 | -175.2 | 0 | 116.6 | ||||
| 301 | R | 25.3 | Very low | 24.5 | Very low | 250 Ų | 250 | 148 Ų | 148 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -103.8 | 101.2 | 147 | -76 | -173 | 177.4 | -177.3 | -0.1 | 108.7 | I303 | R301-I303 PolarHBondContact O-N 3.29Š| ||
| 302 | G | 25.3 | Very low | 24.9 | Very low | 66 Ų | 66 | 146.6 Ų | 146.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 122.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T304 | G302-T304 PolarHBondContact O-N 2.81Å; G302-T304 VanDerWaalsContact O-N 3.15Å | ||
| 303 | I | 27 | Very low | 25 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 103.7 | 169.5 | -60.7 | 173.2 | 0 | 0 | 0 | 106 | R301 I305 | R301-I303 PolarHBondContact O-N 3.29Å; I303-I305 HydrophobicContact CG2-CG1 4.09Å | ||
| 304 | T | 23.5 | Very low | 25.2 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | -95.2 | 112 | 174.3 | -34.8 | 0 | 0 | 0 | 0 | 106.9 | G302 Y306 | G302-T304 PolarHBondContact O-N 2.81Å; G302-T304 VanDerWaalsContact O-N 3.15Å; T304-Y306 HydrophobicContact CG2-CD2 4.28Å; T304-Y306 HydrophobicContact CG2-CE2 3.99Å | ||
| 305 | I | 26.1 | Very low | 25.4 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 103.8 | 176 | -57.3 | 177.7 | 0 | 0 | 0 | 107.1 | I303 | I303-I305 HydrophobicContact CG2-CG1 4.09Š| ||
| 306 | Y | 23 | Very low | 25.4 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -81.2 | 129.4 | 166.2 | -85.3 | -90.1 | 0 | 0 | 0 | 109.2 | T304 | T304-Y306 HydrophobicContact CG2-CD2 4.28Å; T304-Y306 HydrophobicContact CG2-CE2 3.99Å | ||
| 307 | A | 25.5 | Very low | 25.4 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -112.1 | 116.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 308 | D | 23.1 | Very low | 25.4 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 136.2 | 172 | -102.4 | -34 | 0 | 0 | 0 | 110.3 | ||||
| 309 | P | 27.8 | Very low | 25.4 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -93 | 113.8 | 172.7 | 32.4 | -26.7 | 0 | 0 | 0 | 111.1 | V311 | P309-V311 PolarHBondContact O-N 3.44Š| ||
| 310 | D | 26 | Very low | 25.3 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122 | 168.3 | -76.4 | -41.3 | 0 | 0 | 0 | 110.9 | ||
| 311 | V | 24.9 | Very low | 24.9 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 131.4 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | P309 | P309-V311 PolarHBondContact O-N 3.44Š|
| 312 | P | 30.2 | Very low | 24.9 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 120.4 | 172.6 | 31.5 | -27 | 0 | 0 | 0 | 111.3 | ||
| 313 | S | 23.9 | Very low | 24.8 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 133.3 | 168 | 56 | 0 | 0 | 0 | 0 | 111.5 | ||
| 314 | V | 26.5 | Very low | 24.7 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 130.4 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 315 | S | 26.1 | Very low | 24.8 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 124.8 | 149.2 | 59 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 316 | G | 20.9 | Very low | 24.5 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -88.6 | 153.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 317 | S | 21.7 | Very low | 24.7 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | 157.9 | 151.8 | 120.9 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 318 | S | 23.1 | Very low | 24.6 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 66% | 0.657 | 83% | 0.827 | S | S | * | * | trans | 91.3 | 107 | 152.5 | -161.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 319 | Q | 24.7 | Very low | 24.9 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | 69.1 | 114.7 | 135.5 | -63.7 | 179.2 | -1.5 | 0 | 0 | 120.6 | ||||
| 320 | R | 23.2 | Very low | 24.6 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -75.5 | 154.5 | 149.9 | -72.8 | -175.6 | 172.6 | 177.6 | -1.6 | 109.4 | ||||
| 321 | P | 25.8 | Very low | 24.6 | Very low | 125 Ų | 125 | 154 Ų | 154 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | -139.3 | 161.8 | 92.4 | 28.8 | -9.7 | 0 | 0 | 0 | 115.6 | |||||
| 322 | N | 23.7 | Very low | 24.5 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | trans | -14.2 | 137.8 | 167.1 | -77 | -23.4 | 0 | 0 | 0 | 119 | ||||
| 323 | E | 23.4 | Very low | 24.1 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | -167.5 | 147.4 | 117.4 | -104.5 | 170.4 | -167.1 | 0 | 0 | 111.8 | |||||
| 324 | K | 25.1 | Very low | 24.2 | Very low | 205 Ų | 205 | 159.6 Ų | 159.6 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 142.8 | -176.6 | -66.6 | 169.6 | 176.3 | 173.9 | 0 | 111.2 | ||
| 325 | P | 25.3 | Very low | 24.1 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.9 | 169.5 | 27.7 | -17.3 | 0 | 0 | 0 | 112.8 | ||
| 326 | L | 21.4 | Very low | 24.5 | Very low | 174 Ų | 174 | 161.7 Ų | 161.7 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 151.4 | 155.6 | -89 | 151.2 | 0 | 0 | 0 | 109.8 | ||
| 327 | R | 26.8 | Very low | 25 | Very low | 233 Ų | 233 | 167.1 Ų | 167.1 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 140.5 | -178 | -70 | 175.1 | 171 | 178.3 | -3.4 | 115 | ||
| 328 | L | 22.5 | Very low | 25.5 | Very low | 157 Ų | 157 | 168.1 Ų | 168.1 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | -168.7 | 105.3 | 135.2 | -97.5 | 135.4 | 0 | 0 | 0 | 107.9 | ||||
| 329 | T | 29 | Very low | 26.1 | Very low | 133 Ų | 133 | 165.9 Ų | 165.9 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | 63.6 | 91.6 | 103.6 | -24.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 330 | E | 22.5 | Very low | 26.9 | Very low | 191 Ų | 191 | 159.4 Ų | 159.4 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -131.7 | 143.3 | 165.5 | -76.9 | -170.9 | 153.1 | 0 | 0 | 111.9 | ||||
| 331 | K | 26.6 | Very low | 27.8 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | trans | -56 | 134.3 | -175.1 | -74.6 | 166.6 | 170.2 | 174 | 0 | 111.5 | D333 | K331-D333 PolarHBondContact O-N 3.15Š| ||
| 332 | K | 22.9 | Very low | 28.6 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -80.6 | 102.5 | 167.4 | -114.6 | -179.6 | 175.8 | -179 | 0 | 108.8 | ||||
| 333 | D | 21.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -69 | 141.7 | 154 | -86.3 | -27.7 | 0 | 0 | 0 | 109 | K331 D335 | K331-D333 PolarHBondContact O-N 3.15Å; D333-D335 PolarHBondContact O-N 2.98Å | ||
| 334 | C | 24.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -79 | 116.4 | -173.8 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | E336 | C334-E336 PolarHBondContact O-N 2.73Š| ||
| 335 | D | 26.1 | Very low | 31.5 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -70.7 | 91.1 | 173 | -94.3 | -40.6 | 0 | 0 | 0 | 111.5 | D333 K337 | D333-D335 PolarHBondContact O-N 2.98Å; D335-K337 PolarHBondContact O-N 3.25Å | ||
| 336 | E | 34.8 | Very low | 32.6 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -71.4 | -9.6 | 171.6 | -72.9 | -176 | 154.3 | 0 | 0 | 113.5 | C334 N338 | C334-E336 PolarHBondContact O-N 2.73Å; E336-N338 PolarHBondContact O-N 3.37Å |
| 337 | K | 30.4 | Very low | 33.5 | Very low | 186 Ų | 186 | 121.5 Ų | 121.5 | 81% | 0.809 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -81.3 | -14.5 | -168.2 | -74.3 | -177.4 | 177.7 | 174.4 | 0 | 116 | D335 | D335-K337 PolarHBondContact O-N 3.25Š|
| 338 | N | 33 | Very low | 34.3 | Very low | 142 Ų | 142 | 110.8 Ų | 110.8 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -103.3 | -7.9 | -173.8 | -91.7 | -6.1 | 0 | 0 | 0 | 116.1 | E336 | E336-N338 PolarHBondContact O-N 3.37Š|
| 339 | G | 34.3 | Very low | 35.1 | Very low | 46 Ų | 46 | 105.9 Ų | 105.9 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -77.8 | -26.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V341 | G339-V341 PolarHBondContact O-N 3.25Š|
| 340 | C | 43.1 | Very low | 35.3 | Very low | 48 Ų | 48 | 103.3 Ų | 103.3 | 32% | 0.324 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.2 | -164.6 | -68.6 | 0 | 0 | 0 | 0 | 115.5 | K342 L343 | C340-K342 VanDerWaalsContact C-N 3.29Å; C340-K342 PolarHBondContact O-N 3.28Å; C340-L343 PolarHBondContact O-N 3.07Å |
| 341 | V | 41.8 | Very low | 35.6 | Very low | 90 Ų | 90 | 98.9 Ų | 98.9 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -28.4 | -173 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | G339 L344 | G339-V341 PolarHBondContact O-N 3.25Å; V341-L344 WeakPolarHBondContact O-CB 3.39Å |
| 342 | K | 41.7 | Very low | 35.7 | Very low | 145 Ų | 145 | 95 Ų | 95 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -83.2 | -23.2 | -178.4 | -67.9 | 177.6 | -178.9 | 170.8 | 0 | 113.8 | C340 L344 P728 | C340-K342 VanDerWaalsContact C-N 3.29Å; C340-K342 PolarHBondContact O-N 3.28Å; K342-L344 VanDerWaalsContact C-N 3.28Å; K342-P728 WeakPolarHBondContact O-CG 3.39Å |
| 343 | L | 44.9 | Very low | 35.7 | Very low | 2 Ų | 2 | 93.7 Ų | 93.7 | 1% | 0.01 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -69.7 | -31.5 | 170.3 | -166.8 | 74.8 | 0 | 0 | 0 | 111.4 | C340 F346 L347 F724 P728 | C340-L343 PolarHBondContact O-N 3.07Å; L343-F346 PolarHBondContact O-N 2.95Å; L343-L347 HydrophobicContact CD1-CD1 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.43Å; L343-L347 HydrophobicContact CD2-CD1 3.72Å; L343-L347 HydrophobicContact CG-CD1 3.64Å; L343-L347 HydrophobicContact CG-CG 4.11Å; L343-L347 WeakPolarHBondContact O-CB 3.38Å; L343-L347 PolarHBondContact O-N 3.39Å; L343-F724 HydrophobicContact CD2-CD1 4.45Å; L343-F724 HydrophobicContact CD2-CE1 3.44Å; L343-F724 VanDerWaalsContact CD2-CE1 3.44Å; L343-F724 HydrophobicContact CD2-CZ 4.04Å; L343-P728 HydrophobicContact CB-CG 4.47Å; L343-P728 HydrophobicContact CD1-CB 4.14Å; L343-P728 HydrophobicContact CD1-CG 3.8Å |
| 344 | L | 41.5 | Very low | 36 | Very low | 51 Ų | 51 | 90.4 Ų | 90.4 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 175.2 | -64.6 | 170.6 | 0 | 0 | 0 | 111 | V341 K342 F346 L347 N348 | V341-L344 WeakPolarHBondContact O-CB 3.39Å; K342-L344 VanDerWaalsContact C-N 3.28Å; L344-F346 PolarHBondContact O-N 2.73Å; L344-L347 CarbonylContact O-C 3.5Å; L344-L347 PolarHBondContact O-N 3.29Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L344-N348 CarbonylContact C-O 3.59Å; L344-N348 CarbonylContact O-C 3.51Å; L344-N348 WeakPolarHBondContact O-CA 3.3Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 PolarHBondContact O-N 2.93Å |
| 345 | Q | 46.6 | Very low | 36.1 | Very low | 109 Ų | 109 | 92 Ų | 92 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.3 | -29.1 | -178.3 | -76.4 | 178.4 | -23.2 | 0 | 0 | 115.2 | P349 | Q345-P349 WeakPolarHBondContact O-CA 3.46Å |
| 346 | F | 48.2 | Very low | 36.2 | Very low | 16 Ų | 16 | 88.7 Ų | 88.7 | 7% | 0.07 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -85.3 | -46.7 | 176.8 | 173.5 | -100.3 | 0 | 0 | 0 | 112.2 | L343 L344 N348 E609 E610 P728 Y779 | L343-F346 PolarHBondContact O-N 2.95Å; L344-F346 PolarHBondContact O-N 2.73Å; F346-N348 VanDerWaalsContact C-N 3.35Å; F346-E609 HydrophobicContact CD2-CG 4.25Å; F346-E609 HydrophobicContact CE1-CG 3.95Å; F346-E609 HydrophobicContact CE2-CG 3.43Å; F346-E609 VanDerWaalsContact CE2-CG 3.43Å; F346-E609 WeakPolarHBondContact CE2-OE1 3.46Å; F346-E609 HydrophobicContact CZ-CB 4.32Å; F346-E609 HydrophobicContact CZ-CG 3.27Å; F346-E610 HydrophobicContact CE2-CG 4.48Å; F346-E610 VanDerWaalsContact CE2-OE1 3.25Å; F346-E610 WeakPolarHBondContact CE2-OE1 3.32Å; F346-P728 HydrophobicContact CB-CB 3.79Å; F346-P728 HydrophobicContact CB-CG 3.4Å; F346-P728 VanDerWaalsContact CB-CG 3.4Å; F346-P728 HydrophobicContact CD1-CB 3.98Å; F346-P728 HydrophobicContact CD1-CG 4.33Å; F346-P728 HydrophobicContact CD2-CB 4.33Å; F346-P728 HydrophobicContact CG-CB 3.77Å; F346-P728 HydrophobicContact CG-CG 3.97Å; F346-Y779 HydrophobicContact CE1-CD2 4.04Å; F346-Y779 HydrophobicContact CE1-CE2 4.5Å; F346-Y779 HydrophobicContact CZ-CD2 4.02Å; F346-Y779 HydrophobicContact CZ-CE2 4.23Å |
| 347 | L | 41.8 | Very low | 35.7 | Very low | 7 Ų | 7 | 87.2 Ų | 87.2 | 4% | 0.037 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -76.1 | -24.2 | -178.8 | -78.8 | -173.5 | 0 | 0 | 0 | 113 | L343 L344 H772 G775 I776 R778 | L343-L347 HydrophobicContact CD1-CD1 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.43Å; L343-L347 HydrophobicContact CD2-CD1 3.72Å; L343-L347 HydrophobicContact CG-CD1 3.64Å; L343-L347 HydrophobicContact CG-CG 4.11Å; L343-L347 WeakPolarHBondContact O-CB 3.38Å; L343-L347 PolarHBondContact O-N 3.39Å; L344-L347 CarbonylContact O-C 3.5Å; L344-L347 PolarHBondContact O-N 3.29Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L347-H772 HydrophobicContact CD1-CB 4.29Å; L347-G775 VanDerWaalsContact CB-CA 3.47Å; L347-G775 VanDerWaalsContact CD2-O 3.26Å; L347-G775 WeakPolarHBondContact CD2-O 3.32Å; L347-G775 WeakPolarHBondContact O-CA 3.46Å; L347-I776 HydrophobicContact CD1-CG1 4.49Å; L347-R778 PolarHBondContact O-NH1 2.56Å |
| 348 | N | 41.8 | Very low | 35.5 | Very low | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.043 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -152 | 89.9 | -177 | -63.9 | -49.8 | 0 | 0 | 0 | 108.6 | L344 F346 D350 I826 | L344-N348 CarbonylContact C-O 3.59Å; L344-N348 CarbonylContact O-C 3.51Å; L344-N348 WeakPolarHBondContact O-CA 3.3Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 PolarHBondContact O-N 2.93Å; F346-N348 VanDerWaalsContact C-N 3.35Å; N348-D350 PolarHBondContact O-N 3.23Å; N348-I826 HydrophobicContact CB-CG2 3.85Å |
| 349 | P | 41.1 | Very low | 35.3 | Very low | 54 Ų | 54 | 83.2 Ų | 83.2 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | trans | -68 | 97.1 | 176.8 | 27 | -31.3 | 0 | 0 | 0 | 109.3 | Q345 I826 | Q345-P349 WeakPolarHBondContact O-CA 3.46Å; P349-I826 HydrophobicContact CG-CD1 4.06Å | ||
| 350 | D | 33.1 | Very low | 35 | Very low | 79 Ų | 79 | 88.2 Ų | 88.2 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | trans | -63 | 140 | 167.3 | -76.9 | -35.9 | 0 | 0 | 0 | 109.2 | N348 L352 | N348-D350 PolarHBondContact O-N 3.23Å; D350-L352 PolarHBondContact O-N 2.88Å; D350-L352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | P | 27.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 93.8 Ų | 93.8 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | trans | -62.9 | 111.8 | 165.5 | -13.2 | 27.1 | 0 | 0 | 0 | 109 | ||||
| 352 | L | 28.9 | Very low | 33.6 | Very low | 124 Ų | 124 | 98.1 Ų | 98.1 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | trans | -57.9 | 141.1 | -169.7 | -66.1 | 163.3 | 0 | 0 | 0 | 114.4 | D350 | D350-L352 PolarHBondContact O-N 2.88Å; D350-L352 VanDerWaalsContact O-N 3.09Å | ||
| 353 | R | 24 | Very low | 33 | Very low | 184 Ų | 184 | 99.7 Ų | 99.7 | 69% | 0.694 | 55% | 0.551 | S | S | * | * | trans | -80.8 | 115.9 | 133.9 | -82.2 | -154.8 | -179 | -175.2 | 5.2 | 107 | D355 E923 | R353-D355 VanDerWaalsContact C-N 3.27Å; R353-D355 PolarHBondContact O-N 3.47Å; R353-D355 VanDerWaalsContact O-N 3.1Å; R353-E923 IonicContact CZ-OE2 2.73Å; R353-E923 IonicContact NH1-OE1 3.89Å; R353-E923 IonicContact NH1-OE2 2.69Å; R353-E923 PolarHBondContact NH1-OE2 2.83Å; R353-E923 IonicContact NH2-OE2 3.6Å; R353-E923 PolarHBondContact NH2-OE2 3.05Å | ||
| 354 | A | 26.2 | Very low | 32.3 | Very low | 87 Ų | 87 | 108.2 Ų | 108.2 | 72% | 0.719 | 59% | 0.59 | S | S | * | * | trans | -78.1 | 77.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 355 | D | 26.2 | Very low | 31.7 | Very low | 151 Ų | 151 | 115.7 Ų | 115.7 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | trans | -151.6 | 105.9 | 164.7 | -87.6 | -38.4 | 0 | 0 | 0 | 107.7 | R353 | R353-D355 VanDerWaalsContact C-N 3.27Å; R353-D355 PolarHBondContact O-N 3.47Å; R353-D355 VanDerWaalsContact O-N 3.1Å | ||
| 356 | G | 28.3 | Very low | 30.6 | Very low | 69 Ų | 69 | 117 Ų | 117 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | trans | 155.6 | 34.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S358 | G356-S358 PolarHBondContact O-N 2.88Š| ||
| 357 | T | 25.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 83% | 0.828 | 68% | 0.678 | S | S | * | * | trans | -80.6 | 4.2 | 167.5 | 45 | 0 | 0 | 0 | 0 | 113 | ||||
| 358 | S | 26.2 | Very low | 29 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -79.3 | -18.8 | -172.9 | -164 | 0 | 0 | 0 | 0 | 115.2 | G356 | G356-S358 PolarHBondContact O-N 2.88Š|
| 359 | D | 27.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -98.1 | 5.3 | -172.9 | -67.8 | -19.9 | 0 | 0 | 0 | 114.8 | H361 | D359-H361 VanDerWaalsContact C-N 3.28Å; D359-H361 PolarHBondContact O-N 3.16Å |
| 360 | L | 28.5 | Very low | 28.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -79.2 | -7.5 | 180 | -133.1 | 94.5 | 0 | 0 | 0 | 114 | ||
| 361 | H | 27.7 | Very low | 28.6 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -104.4 | -8.4 | -171.6 | -80.3 | -74 | 0 | 0 | 0 | 116 | D359 | D359-H361 VanDerWaalsContact C-N 3.28Å; D359-H361 PolarHBondContact O-N 3.16Å |
| 362 | Q | 28.3 | Very low | 29.8 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -106 | 14.9 | -172.1 | -78.6 | -162.5 | 25.9 | 0 | 0 | 117.4 | ||
| 363 | L | 29.1 | Very low | 31.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -123.7 | 34.7 | 169 | -79.4 | 168.5 | 0 | 0 | 0 | 113.9 | ||||
| 364 | Q | 30.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | trans | -104.6 | 76.3 | 159.7 | -81.8 | -173.4 | -9.6 | 0 | 0 | 110.1 | ||||
| 365 | K | 28.5 | Very low | 36.1 | Very low | 208 Ų | 208 | 128.5 Ų | 128.5 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -157.1 | 59.3 | 159.2 | -112 | 175.5 | -164.6 | -179 | 0 | 112 | ||||
| 366 | V | 23.7 | Very low | 38.6 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | trans | -134.8 | 109.6 | 146 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | L368 | V366-L368 PolarHBondContact O-N 3.38Š| ||
| 367 | K | 31 | Very low | 41.2 | Very low | 220 Ų | 220 | 121.5 Ų | 121.5 | 96% | 0.957 | 66% | 0.655 | S | S | * | * | trans | -70.1 | 97.9 | 173.6 | -82.9 | -179.3 | 174.4 | 179.5 | 0 | 108.3 | ||||
| 368 | L | 25.8 | Very low | 43.8 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | trans | -117.9 | 134.5 | 154.1 | -160.3 | 67.8 | 0 | 0 | 0 | 106 | V366 L710 | V366-L368 PolarHBondContact O-N 3.38Å; L368-L710 HydrophobicContact CD2-CD2 3.75Å | ||
| 369 | G | 29.5 | Very low | 46.3 | Very low | 69 Ų | 69 | 115.6 Ų | 115.6 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | trans | -46.8 | 141.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L371 | G369-L371 PolarHBondContact O-N 2.94Š| ||
| 370 | T | 34.7 | Very low | 48.8 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | trans | -51.9 | 85 | -170 | -37 | 0 | 0 | 0 | 0 | 113.5 | Q372 | T370-Q372 PolarHBondContact O-N 2.97Š| ||
| 371 | L | 43 | Very low | 51.5 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | trans | -77.1 | 115 | 166 | -150.4 | 79.1 | 0 | 0 | 0 | 107 | G369 P709 | G369-L371 PolarHBondContact O-N 2.94Å; L371-P709 HydrophobicContact CD2-CB 4.22Å; L371-P709 WeakPolarHBondContact CD2-O 3.47Å | ||
| 372 | Q | 53.5 | Low | 54.3 | Low | 98 Ų | 98 | 115 Ų | 115 | 46% | 0.458 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 139.7 | 176 | -71.1 | -74.3 | -19.1 | 0 | 0 | 109.2 | T370 | T370-Q372 PolarHBondContact O-N 2.97Š|
| 373 | P | 61.9 | Low | 57.1 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 142.1 | 173.8 | -18.7 | 29.1 | 0 | 0 | 0 | 110.6 | V375 H410 | P373-V375 PolarHBondContact O-N 3.24Å; P373-H410 PolarHBondContact O-NE2 3.47Å |
| 374 | G | 67.8 | Low | 59.9 | Low | 24 Ų | 24 | 100.5 Ų | 100.5 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 137.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 375 | V | 81.4 | Confident | 62.6 | Low | 23 Ų | 23 | 97.1 Ų | 97.1 | 14% | 0.139 | 50% | 0.503 | C | S | . | . | trans | -143.1 | 133.5 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 108.6 | P373 L377 Y414 V604 T606 | P373-V375 PolarHBondContact O-N 3.24Å; V375-L377 HydrophobicContact CG1-CD1 4.22Å; V375-L377 HydrophobicContact CG1-CG 4.11Å; V375-L377 HydrophobicContact CG2-CD2 3.54Å; V375-L377 HydrophobicContact CG2-CG 3.9Å; V375-Y414 HydrophobicContact CB-CE2 4.45Å; V375-Y414 HydrophobicContact CG1-CE1 4.36Å; V375-Y414 HydrophobicContact CG1-CE2 4.15Å; V375-Y414 HydrophobicContact CG2-CD2 4.37Å; V375-Y414 HydrophobicContact CG2-CE2 4.43Å; V375-V604 HydrophobicContact CG2-CG1 4.21Å; V375-T606 HydrophobicContact CB-CG2 4.48Å; V375-T606 HydrophobicContact CG2-CG2 3.91Å | ||
| 376 | V | 79.3 | Confident | 65.4 | Low | 17 Ų | 17 | 90.1 Ų | 90.1 | 10% | 0.103 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.3 | 170.5 | 175.1 | 0 | 0 | 0 | 0 | 108 | I605 A611 Y614 Y736 F742 | V376-I605 HydrophobicContact CB-CB 4.36Å; V376-I605 PolarHBondContact N-O 2.91Å; V376-I605 PolarHBondContact O-N 2.93Å; V376-A611 HydrophobicContact CB-CB 3.99Å; V376-A611 HydrophobicContact CG2-CB 3.62Å; V376-Y614 HydrophobicContact CG1-CD1 4.32Å; V376-Y614 HydrophobicContact CG1-CE1 4.34Å; V376-Y736 HydrophobicContact CG2-CD2 4Å; V376-Y736 HydrophobicContact CG2-CE2 3.68Å; V376-F742 HydrophobicContact CG1-CD2 4.4Å; V376-F742 HydrophobicContact CG2-CD2 4.05Å; V376-F742 HydrophobicContact CG2-CE2 4.2Å |
| 377 | L | 82.3 | Confident | 68.3 | Low | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.288 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.3 | -178.1 | -59.8 | 179 | 0 | 0 | 0 | 108.7 | V375 N379 I381 Y414 V603 V604 | V375-L377 HydrophobicContact CG1-CD1 4.22Å; V375-L377 HydrophobicContact CG1-CG 4.11Å; V375-L377 HydrophobicContact CG2-CD2 3.54Å; V375-L377 HydrophobicContact CG2-CG 3.9Å; L377-N379 WeakPolarHBondContact CB-O 3.34Å; L377-I381 HydrophobicContact CD2-CD1 4.39Å; L377-Y414 HydrophobicContact CD1-CD1 4.11Å; L377-Y414 HydrophobicContact CD1-CE1 4.02Å; L377-Y414 HydrophobicContact CD2-CD1 4.23Å; L377-V603 WeakPolarHBondContact CA-O 3.46Å; L377-V604 HydrophobicContact CD2-CB 4.25Å; L377-V604 HydrophobicContact CD2-CG1 4.25Å; L377-V604 HydrophobicContact CD2-CG2 3.62Å |
| 378 | R | 79.4 | Confident | 70.9 | Confident | 71 Ų | 71 | 81.5 Ų | 81.5 | 27% | 0.268 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -73 | -38.1 | 168.3 | -171.9 | -175.4 | -172 | -174.5 | 4 | 111.5 | V603 S744 T746 | R378-V603 HydrophobicContact CB-CB 3.94Å; R378-V603 HydrophobicContact CB-CG2 4.27Å; R378-V603 PolarHBondContact N-O 2.9Å; R378-V603 VanDerWaalsContact N-O 3.15Å; R378-S744 PolarHBondContact NE-OG 2.85Å; R378-S744 VanDerWaalsContact NE-OG 3.15Å; R378-S744 PolarHBondContact NH2-OG 2.8Å; R378-T746 PolarHBondContact NH2-OG1 3.11Å |
| 379 | N | 79.5 | Confident | 73.7 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 21% | 0.214 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -120.2 | 146.1 | -176.6 | -56.1 | 51.9 | 0 | 0 | 0 | 109 | L377 I381 D600 | L377-N379 WeakPolarHBondContact CB-O 3.34Å; N379-I381 PolarHBondContact O-N 3.28Å; N379-I381 VanDerWaalsContact O-N 3.14Å; N379-D600 PolarHBondContact ND2-OD1 3.34Å |
| 380 | R | 79.6 | Confident | 76.4 | Confident | 259 Ų | 259 | 80.4 Ų | 80.4 | 98% | 0.977 | 40% | 0.403 | S | S | * | . | trans | -66 | 115.7 | 175.4 | -73.6 | -170.5 | -179.1 | -173.5 | 1.8 | 109.9 | ||||
| 381 | I | 85.1 | Confident | 79 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | trans | -120.6 | 126 | 178.4 | -62.3 | 162 | 0 | 0 | 0 | 108.5 | L377 N379 P383 Y414 P418 C602 V604 | L377-I381 HydrophobicContact CD2-CD1 4.39Å; N379-I381 PolarHBondContact O-N 3.28Å; N379-I381 VanDerWaalsContact O-N 3.14Å; I381-P383 WeakPolarHBondContact O-CD 3.45Å; I381-Y414 HydrophobicContact CB-CD1 4.36Å; I381-Y414 HydrophobicContact CG2-CD1 4.27Å; I381-P418 HydrophobicContact CD1-CG 3.73Å; I381-P418 HydrophobicContact CG1-CG 4.06Å; I381-P418 HydrophobicContact CG2-CG 4.14Å; I381-C602 HydrophobicContact CD1-CB 4.19Å; I381-V604 HydrophobicContact CD1-CG2 3.73Å | ||
| 382 | E | 86 | Confident | 81.2 | Confident | 175 Ų | 175 | 71 Ų | 71 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | trans | -78.8 | 120.4 | 170.1 | -67.5 | -174.5 | 174 | 0 | 0 | 109.8 | ||||
| 383 | P | 87.7 | Confident | 82.9 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | trans | -74.8 | 139.3 | -176.7 | 27.7 | -32.7 | 0 | 0 | 0 | 112.1 | I381 L385 S413 Y414 | I381-P383 WeakPolarHBondContact O-CD 3.45Å; P383-L385 HydrophobicContact CB-CD2 4.18Å; P383-L385 HydrophobicContact CG-CD2 4.28Å; P383-L385 PolarHBondContact O-N 2.96Å; P383-S413 CarbonylContact C-O 3.58Å; P383-S413 VanDerWaalsContact CA-O 3.32Å; P383-S413 WeakPolarHBondContact CA-O 3.22Å; P383-Y414 HydrophobicContact CB-CD1 3.9Å; P383-Y414 HydrophobicContact CB-CD2 4.43Å; P383-Y414 HydrophobicContact CB-CE1 3.64Å; P383-Y414 HydrophobicContact CB-CE2 4.19Å; P383-Y414 HydrophobicContact CB-CG 4.28Å; P383-Y414 HydrophobicContact CG-CD1 4.46Å; P383-Y414 HydrophobicContact CG-CE1 3.77Å | ||
| 384 | C | 88.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | trans | -87.1 | 101.2 | 170.2 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | P408 S413 P417 | C384-P408 WeakPolarHBondContact O-CG 3.43Å; C384-S413 PolarHBondContact N-O 3.33Å; C384-S413 WeakPolarHBondContact O-CB 3.48Å; C384-S413 PolarHBondContact SG-O 3.11Å; C384-P417 HydrophobicContact CB-CG 4.35Å | ||
| 385 | L | 85.8 | Confident | 85 | Confident | 109 Ų | 109 | 68.2 Ų | 68.2 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | trans | -82 | -19.6 | -173.4 | -58.9 | 178.5 | 0 | 0 | 0 | 114.7 | P383 | P383-L385 HydrophobicContact CB-CD2 4.18Å; P383-L385 HydrophobicContact CG-CD2 4.28Å; P383-L385 PolarHBondContact O-N 2.96Å | ||
| 386 | T | 87.2 | Confident | 85.3 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -128.9 | 150.3 | -178.8 | 66.4 | 0 | 0 | 0 | 0 | 111 | E388 K389 S390 | T386-E388 PolarHBondContact O-N 3.02Å; T386-K389 PolarHBondContact O-N 3.48Å; T386-K389 WeakPolarHBondContact OG1-CG 3.38Å; T386-K389 PolarHBondContact OG1-N 2.96Å; T386-S390 PolarHBondContact O-N 3.08Å; T386-S390 VanDerWaalsContact O-N 3.09Å |
| 387 | L | 85.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.6 | 177.3 | -175.1 | 62.9 | 0 | 0 | 0 | 111.8 | S390 L392 K397 L400 Q401 W416 | L387-S390 WeakPolarHBondContact O-CB 3.38Å; L387-S390 PolarHBondContact O-N 3.29Å; L387-S390 PolarHBondContact O-OG 3.42Å; L387-L392 HydrophobicContact CD1-CD1 4.04Å; L387-K397 HydrophobicContact CD1-CG 4.32Å; L387-K397 HydrophobicContact CG-CG 4.36Å; L387-K397 VanDerWaalsContact O-CE 3.23Å; L387-K397 WeakPolarHBondContact O-CE 3.41Å; L387-L400 HydrophobicContact CD1-CD1 3.83Å; L387-L400 HydrophobicContact CD2-CB 4.25Å; L387-Q401 HydrophobicContact CD2-CG 3.83Å; L387-W416 HydrophobicContact CD1-CZ3 4.3Å |
| 388 | E | 84.5 | Confident | 86 | Confident | 157 Ų | 157 | 71.2 Ų | 71.2 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -44.9 | 177.9 | -64.4 | -178.2 | 174.1 | 0 | 0 | 112.3 | T386 S390 K397 | T386-E388 PolarHBondContact O-N 3.02Å; E388-S390 VanDerWaalsContact C-N 3.27Å; E388-S390 PolarHBondContact O-N 3.36Å; E388-K397 PolarHBondContact O-NZ 2.93Å |
| 389 | K | 84.9 | Confident | 86.3 | Confident | 176 Ų | 176 | 68.4 Ų | 68.4 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -3.3 | 178.4 | -65.9 | -177 | 177.7 | -175.9 | 0 | 113.6 | T386 | T386-K389 PolarHBondContact O-N 3.48Å; T386-K389 WeakPolarHBondContact OG1-CG 3.38Å; T386-K389 PolarHBondContact OG1-N 2.96Å |
| 390 | S | 87.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -67.8 | 149.6 | 179.2 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | T386 L387 E388 L392 K397 | T386-S390 PolarHBondContact O-N 3.08Å; T386-S390 VanDerWaalsContact O-N 3.09Å; L387-S390 WeakPolarHBondContact O-CB 3.38Å; L387-S390 PolarHBondContact O-N 3.29Å; L387-S390 PolarHBondContact O-OG 3.42Å; E388-S390 VanDerWaalsContact C-N 3.27Å; E388-S390 PolarHBondContact O-N 3.36Å; S390-L392 PolarHBondContact O-N 3.36Å; S390-L392 WeakPolarHBondContact OG-CG 3.48Å; S390-K397 VanDerWaalsContact O-CE 3.24Å; S390-K397 WeakPolarHBondContact O-CE 3.1Å; S390-K397 PolarHBondContact O-NZ 3.23Å; S390-K397 VanDerWaalsContact OG-CE 3.27Å; S390-K397 WeakPolarHBondContact OG-CE 3.43Å |
| 391 | P | 88.3 | Confident | 87 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -77.8 | 32.4 | -179.9 | 37 | -40.4 | 0 | 0 | 0 | 112.4 | W416 A420 T444 | P391-W416 HydrophobicContact CG-CB 4.26Å; P391-A420 HydrophobicContact CB-CB 3.81Å; P391-A420 HydrophobicContact CG-CB 3.79Å; P391-T444 WeakPolarHBondContact O-CG2 3.46Å |
| 392 | L | 90.1 | Very high | 87 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | trans | -96.6 | 153.8 | -175.6 | -57.3 | -176 | 0 | 0 | 0 | 112.2 | L387 S390 L396 K397 L400 W416 P440 P441 T444 | L387-L392 HydrophobicContact CD1-CD1 4.04Å; S390-L392 PolarHBondContact O-N 3.36Å; S390-L392 WeakPolarHBondContact OG-CG 3.48Å; L392-L396 HydrophobicContact CB-CD2 4.4Å; L392-L396 HydrophobicContact CD1-CD2 4.39Å; L392-L396 HydrophobicContact CD2-CD2 4.21Å; L392-K397 HydrophobicContact CB-CG 4Å; L392-K397 WeakPolarHBondContact O-CE 3.29Å; L392-L400 HydrophobicContact CD1-CD1 3.66Å; L392-W416 HydrophobicContact CD1-CE3 3.99Å; L392-W416 HydrophobicContact CD1-CH2 3.92Å; L392-W416 HydrophobicContact CD1-CZ3 3.59Å; L392-W416 HydrophobicContact CD2-CE3 4.49Å; L392-W416 HydrophobicContact CG-CE3 4.27Å; L392-W416 HydrophobicContact CG-CZ3 4.32Å; L392-P440 HydrophobicContact CD1-CB 4.01Å; L392-P440 HydrophobicContact CD2-CB 3.92Å; L392-P441 HydrophobicContact CD2-CB 4.24Å; L392-T444 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 393 | S | 88.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -63.9 | 152.2 | 173.9 | 74.1 | 0 | 0 | 0 | 0 | 111.9 | D395 L396 K397 T444 Q447 | S393-D395 VanDerWaalsContact C-N 3.28Å; S393-D395 PolarHBondContact O-N 3.49Å; S393-L396 PolarHBondContact O-N 2.79Å; S393-L396 VanDerWaalsContact OG-CB 3.29Å; S393-L396 WeakPolarHBondContact OG-CB 3.07Å; S393-L396 PolarHBondContact OG-N 3.47Å; S393-K397 WeakPolarHBondContact O-CG 3.37Å; S393-K397 PolarHBondContact O-N 2.96Å; S393-T444 PolarHBondContact N-OG1 3.39Å; S393-Q447 PolarHBondContact OG-OE1 3.04Å | ||
| 394 | A | 87.8 | Confident | 86.7 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K398 | A394-K398 WeakPolarHBondContact O-CG 3.34Å; A394-K398 PolarHBondContact O-N 3.39Å; A394-K398 VanDerWaalsContact O-N 3.13Å |
| 395 | D | 85.6 | Confident | 86.5 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.8 | -66.1 | -20.9 | 0 | 0 | 0 | 111.3 | S393 K398 A399 S486 S487 | S393-D395 VanDerWaalsContact C-N 3.28Å; S393-D395 PolarHBondContact O-N 3.49Å; D395-K398 WeakPolarHBondContact O-CB 3.43Å; D395-K398 PolarHBondContact O-N 3.01Å; D395-A399 PolarHBondContact O-N 3.39Å; D395-S486 PolarHBondContact OD2-OG 3.35Å; D395-S487 VanDerWaalsContact OD2-CB 3.25Å; D395-S487 WeakPolarHBondContact OD2-CB 3.46Å; D395-S487 PolarHBondContact OD2-N 3.45Å; D395-S487 PolarHBondContact OD2-OG 2.91Å |
| 396 | L | 87.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 180 | -173.9 | 62.7 | 0 | 0 | 0 | 112.1 | L392 S393 K398 A399 L400 P440 L443 Y483 | L392-L396 HydrophobicContact CB-CD2 4.4Å; L392-L396 HydrophobicContact CD1-CD2 4.39Å; L392-L396 HydrophobicContact CD2-CD2 4.21Å; S393-L396 PolarHBondContact O-N 2.79Å; S393-L396 VanDerWaalsContact OG-CB 3.29Å; S393-L396 WeakPolarHBondContact OG-CB 3.07Å; S393-L396 PolarHBondContact OG-N 3.47Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.02Å; L396-A399 PolarHBondContact O-N 3.18Å; L396-L400 HydrophobicContact CG-CD1 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 3.03Å; L396-P440 HydrophobicContact CD2-CB 3.88Å; L396-P440 WeakPolarHBondContact CD2-O 3.36Å; L396-L443 HydrophobicContact CD1-CD1 4.46Å; L396-L443 HydrophobicContact CD2-CB 4.36Å; L396-Y483 HydrophobicContact CD1-CD1 4.04Å; L396-Y483 HydrophobicContact CD1-CG 4.34Å |
| 397 | K | 89.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 19% | 0.191 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 171.5 | -72.1 | 176.9 | -179.2 | 178.7 | 0 | 111.2 | L387 E388 S390 L392 S393 L400 Q401 | L387-K397 HydrophobicContact CD1-CG 4.32Å; L387-K397 HydrophobicContact CG-CG 4.36Å; L387-K397 VanDerWaalsContact O-CE 3.23Å; L387-K397 WeakPolarHBondContact O-CE 3.41Å; E388-K397 PolarHBondContact O-NZ 2.93Å; S390-K397 VanDerWaalsContact O-CE 3.24Å; S390-K397 WeakPolarHBondContact O-CE 3.1Å; S390-K397 PolarHBondContact O-NZ 3.23Å; S390-K397 VanDerWaalsContact OG-CE 3.27Å; S390-K397 WeakPolarHBondContact OG-CE 3.43Å; L392-K397 HydrophobicContact CB-CG 4Å; L392-K397 WeakPolarHBondContact O-CE 3.29Å; S393-K397 WeakPolarHBondContact O-CG 3.37Å; S393-K397 PolarHBondContact O-N 2.96Å; K397-L400 PolarHBondContact O-N 3.37Å; K397-Q401 VanDerWaalsContact O-CG 3.28Å; K397-Q401 WeakPolarHBondContact O-CG 3.44Å; K397-Q401 PolarHBondContact O-N 3.21Å |
| 398 | K | 87.4 | Confident | 86.1 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.6 | -71.3 | 173.1 | -176.9 | 174.1 | 0 | 112.3 | A394 D395 L396 Q401 R402 | A394-K398 WeakPolarHBondContact O-CG 3.34Å; A394-K398 PolarHBondContact O-N 3.39Å; A394-K398 VanDerWaalsContact O-N 3.13Å; D395-K398 WeakPolarHBondContact O-CB 3.43Å; D395-K398 PolarHBondContact O-N 3.01Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.02Å; K398-Q401 PolarHBondContact O-N 3.32Å; K398-R402 WeakPolarHBondContact O-CG 3.12Å; K398-R402 PolarHBondContact O-N 3.15Å |
| 399 | A | 85.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D395 L396 Q401 R402 N403 Y483 | D395-A399 PolarHBondContact O-N 3.39Å; L396-A399 PolarHBondContact O-N 3.18Å; A399-Q401 VanDerWaalsContact C-N 3.34Å; A399-Q401 PolarHBondContact O-N 3.29Å; A399-R402 PolarHBondContact O-N 2.78Å; A399-N403 PolarHBondContact O-N 2.67Å; A399-N403 VanDerWaalsContact O-N 3.07Å; A399-Y483 HydrophobicContact CB-CD1 4.44Å |
| 400 | L | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.9 | -71.3 | 170.2 | 0 | 0 | 0 | 111.9 | L387 L392 L396 K397 N403 K404 F405 Y483 | L387-L400 HydrophobicContact CD1-CD1 3.83Å; L387-L400 HydrophobicContact CD2-CB 4.25Å; L392-L400 HydrophobicContact CD1-CD1 3.66Å; L396-L400 HydrophobicContact CG-CD1 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 3.03Å; K397-L400 PolarHBondContact O-N 3.37Å; L400-N403 CarbonylContact O-C 3.5Å; L400-N403 PolarHBondContact O-N 2.8Å; L400-K404 PolarHBondContact O-N 3.37Å; L400-F405 HydrophobicContact CB-CB 4.02Å; L400-F405 HydrophobicContact CB-CD1 4.25Å; L400-F405 HydrophobicContact CB-CG 4.38Å; L400-F405 HydrophobicContact CD1-CD1 4.48Å; L400-F405 HydrophobicContact CD2-CB 4.28Å; L400-F405 HydrophobicContact CD2-CD1 4.31Å; L400-F405 HydrophobicContact CD2-CG 4.12Å; L400-F405 WeakPolarHBondContact O-CB 3.25Å; L400-F405 PolarHBondContact O-N 3.33Å; L400-Y483 HydrophobicContact CD2-CE1 3.87Å |
| 401 | Q | 87 | Confident | 86.8 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.9 | -74.8 | 172.2 | -16.9 | 0 | 0 | 112.7 | L387 K397 K398 A399 N403 K404 | L387-Q401 HydrophobicContact CD2-CG 3.83Å; K397-Q401 VanDerWaalsContact O-CG 3.28Å; K397-Q401 WeakPolarHBondContact O-CG 3.44Å; K397-Q401 PolarHBondContact O-N 3.21Å; K398-Q401 PolarHBondContact O-N 3.32Å; A399-Q401 VanDerWaalsContact C-N 3.34Å; A399-Q401 PolarHBondContact O-N 3.29Å; Q401-N403 VanDerWaalsContact C-N 3.26Å; Q401-N403 PolarHBondContact O-N 2.97Å; Q401-K404 PolarHBondContact O-N 2.91Å |
| 402 | R | 85.2 | Confident | 87 | Confident | 181 Ų | 181 | 57.4 Ų | 57.4 | 68% | 0.683 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.7 | -37.8 | 175.1 | -72.9 | 173 | -174.1 | 156.3 | 0 | 111.9 | K398 A399 K404 | K398-R402 WeakPolarHBondContact O-CG 3.12Å; K398-R402 PolarHBondContact O-N 3.15Å; A399-R402 PolarHBondContact O-N 2.78Å; R402-K404 PolarHBondContact O-N 2.76Å |
| 403 | N | 82.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 57 Ų | 57 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 12.3 | 176.6 | -66.2 | -5.9 | 0 | 0 | 0 | 113.2 | A399 L400 Q401 F405 | A399-N403 PolarHBondContact O-N 2.67Å; A399-N403 VanDerWaalsContact O-N 3.07Å; L400-N403 CarbonylContact O-C 3.5Å; L400-N403 PolarHBondContact O-N 2.8Å; Q401-N403 VanDerWaalsContact C-N 3.26Å; Q401-N403 PolarHBondContact O-N 2.97Å; N403-F405 PolarHBondContact O-N 3.17Å |
| 404 | K | 84.4 | Confident | 87.4 | Confident | 190 Ų | 190 | 56.7 Ų | 56.7 | 83% | 0.826 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.3 | 179.8 | -57.2 | -179.3 | -179.6 | 177.8 | 0 | 113.3 | L400 Q401 R402 | L400-K404 PolarHBondContact O-N 3.37Å; Q401-K404 PolarHBondContact O-N 2.91Å; R402-K404 PolarHBondContact O-N 2.76Å |
| 405 | F | 84.1 | Confident | 87.7 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 18% | 0.18 | 27% | 0.266 | C | S | . | . | trans | -65.5 | 122.8 | 178.7 | -179 | -108.5 | 0 | 0 | 0 | 110.6 | L400 N403 G407 W416 L436 | L400-F405 HydrophobicContact CB-CB 4.02Å; L400-F405 HydrophobicContact CB-CD1 4.25Å; L400-F405 HydrophobicContact CB-CG 4.38Å; L400-F405 HydrophobicContact CD1-CD1 4.48Å; L400-F405 HydrophobicContact CD2-CB 4.28Å; L400-F405 HydrophobicContact CD2-CD1 4.31Å; L400-F405 HydrophobicContact CD2-CG 4.12Å; L400-F405 WeakPolarHBondContact O-CB 3.25Å; L400-F405 PolarHBondContact O-N 3.33Å; N403-F405 PolarHBondContact O-N 3.17Å; F405-G407 VanDerWaalsContact C-N 3.26Å; F405-G407 VanDerWaalsContact CE1-CA 3.47Å; F405-G407 VanDerWaalsContact CE1-O 3.24Å; F405-G407 WeakPolarHBondContact CE1-O 3.33Å; F405-G407 WeakPolarHBondContact CZ-O 3.35Å; F405-G407 PolarHBondContact O-N 3.32Å; F405-W416 AromaticContact CE1-CH2 3.69Å; F405-W416 HydrophobicContact CE1-CH2 3.69Å; F405-W416 HydrophobicContact CE1-CZ2 4.38Å; F405-W416 AromaticContact CZ-CH2 3.94Å; F405-W416 HydrophobicContact CZ-CH2 3.94Å; F405-W416 HydrophobicContact CZ-CZ2 4.18Å; F405-L436 HydrophobicContact CD2-CD1 4.17Å; F405-L436 HydrophobicContact CE2-CD1 3.74Å | ||
| 406 | P | 78.4 | Confident | 88.2 | Confident | 131 Ų | 131 | 51.3 Ų | 51.3 | 85% | 0.851 | 25% | 0.254 | S | S | * | . | trans | -74 | -12.9 | -171.7 | 29.2 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 407 | G | 83.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | trans | 127.5 | 165.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F405 S409 | F405-G407 VanDerWaalsContact C-N 3.26Å; F405-G407 VanDerWaalsContact CE1-CA 3.47Å; F405-G407 VanDerWaalsContact CE1-O 3.24Å; F405-G407 WeakPolarHBondContact CE1-O 3.33Å; F405-G407 WeakPolarHBondContact CZ-O 3.35Å; F405-G407 PolarHBondContact O-N 3.32Å; G407-S409 PolarHBondContact O-N 2.93Å | ||
| 408 | P | 88.3 | Confident | 88.6 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -57.3 | 132.9 | -179.8 | 21.9 | -30.4 | 0 | 0 | 0 | 110.7 | C384 A412 W416 | C384-P408 WeakPolarHBondContact O-CG 3.43Å; P408-A412 HydrophobicContact CB-CB 3.95Å; P408-W416 HydrophobicContact CB-CD2 4.44Å; P408-W416 HydrophobicContact CB-CE3 3.95Å; P408-W416 HydrophobicContact CB-CH2 3.87Å; P408-W416 HydrophobicContact CB-CZ2 4.32Å; P408-W416 HydrophobicContact CB-CZ3 3.65Å; P408-W416 HydrophobicContact CG-CE3 4.49Å; P408-W416 HydrophobicContact CG-CZ3 4.06Å | ||
| 409 | S | 90.4 | Very high | 89 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | trans | -61.5 | 165.4 | 169.2 | 71.8 | 0 | 0 | 0 | 0 | 111 | G407 T411 A412 S413 | G407-S409 PolarHBondContact O-N 2.93Å; S409-T411 PolarHBondContact O-N 3.1Å; S409-A412 PolarHBondContact O-N 3.22Å; S409-A412 VanDerWaalsContact O-N 3.08Å; S409-A412 VanDerWaalsContact OG-CB 3.32Å; S409-A412 WeakPolarHBondContact OG-CB 3.37Å; S409-A412 PolarHBondContact OG-N 3.13Å; S409-A412 VanDerWaalsContact OG-N 3.17Å; S409-S413 PolarHBondContact O-N 3.34Å | ||
| 410 | H | 90.3 | Very high | 89.3 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.4 | -40.3 | 176.9 | 179.4 | -103.4 | 0 | 0 | 0 | 112.3 | P373 S413 Y414 | P373-H410 PolarHBondContact O-NE2 3.47Å; H410-S413 PolarHBondContact O-OG 2.77Å; H410-Y414 AromaticContact CE1-CE2 3.95Å; H410-Y414 AromaticContact NE2-CE2 3.63Å; H410-Y414 VanDerWaalsContact O-CD2 3.24Å; H410-Y414 WeakPolarHBondContact O-CD2 3.46Å |
| 411 | T | 92.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | S409 S413 Y414 S415 V427 S429 L437 T606 | S409-T411 PolarHBondContact O-N 3.1Å; T411-S413 PolarHBondContact O-N 3.34Å; T411-Y414 PolarHBondContact O-N 3.3Å; T411-S415 PolarHBondContact O-N 3.16Å; T411-S415 PolarHBondContact O-OG 3.36Å; T411-V427 HydrophobicContact CG2-CG1 3.4Å; T411-V427 VanDerWaalsContact CG2-CG1 3.4Å; T411-S429 PolarHBondContact OG1-OG 3.08Å; T411-L437 HydrophobicContact CG2-CD1 4.16Å; T411-L437 HydrophobicContact CG2-CD2 3.88Å; T411-T606 HydrophobicContact CG2-CG2 4.32Å; T411-T606 PolarHBondContact OG1-OG1 2.93Å |
| 412 | A | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P408 S409 Y414 S415 W416 L437 | P408-A412 HydrophobicContact CB-CB 3.95Å; S409-A412 PolarHBondContact O-N 3.22Å; S409-A412 VanDerWaalsContact O-N 3.08Å; S409-A412 VanDerWaalsContact OG-CB 3.32Å; S409-A412 WeakPolarHBondContact OG-CB 3.37Å; S409-A412 PolarHBondContact OG-N 3.13Å; S409-A412 VanDerWaalsContact OG-N 3.17Å; A412-Y414 PolarHBondContact O-N 3.4Å; A412-S415 WeakPolarHBondContact CA-OG 3.32Å; A412-S415 PolarHBondContact O-N 3.26Å; A412-S415 PolarHBondContact O-OG 2.64Å; A412-W416 HydrophobicContact CB-CD2 4.34Å; A412-W416 HydrophobicContact CB-CZ2 4.15Å; A412-W416 WeakPolarHBondContact O-CB 3.19Å; A412-W416 PolarHBondContact O-N 3.15Å; A412-L437 HydrophobicContact CB-CD2 3.99Å |
| 413 | S | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -33.2 | 180 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | P383 C384 S409 H410 T411 P417 | P383-S413 CarbonylContact C-O 3.58Å; P383-S413 VanDerWaalsContact CA-O 3.32Å; P383-S413 WeakPolarHBondContact CA-O 3.22Å; C384-S413 PolarHBondContact N-O 3.33Å; C384-S413 WeakPolarHBondContact O-CB 3.48Å; C384-S413 PolarHBondContact SG-O 3.11Å; S409-S413 PolarHBondContact O-N 3.34Å; H410-S413 PolarHBondContact O-OG 2.77Å; T411-S413 PolarHBondContact O-N 3.34Å; S413-P417 VanDerWaalsContact O-CD 3.29Å; S413-P417 WeakPolarHBondContact O-CD 3.44Å |
| 414 | Y | 93.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 7% | 0.071 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -89.2 | -29 | 175 | -66.7 | -78.7 | 0 | 0 | 0 | 112.9 | V375 L377 I381 P383 H410 T411 A412 P418 | V375-Y414 HydrophobicContact CB-CE2 4.45Å; V375-Y414 HydrophobicContact CG1-CE1 4.36Å; V375-Y414 HydrophobicContact CG1-CE2 4.15Å; V375-Y414 HydrophobicContact CG2-CD2 4.37Å; V375-Y414 HydrophobicContact CG2-CE2 4.43Å; L377-Y414 HydrophobicContact CD1-CD1 4.11Å; L377-Y414 HydrophobicContact CD1-CE1 4.02Å; L377-Y414 HydrophobicContact CD2-CD1 4.23Å; I381-Y414 HydrophobicContact CB-CD1 4.36Å; I381-Y414 HydrophobicContact CG2-CD1 4.27Å; P383-Y414 HydrophobicContact CB-CD1 3.9Å; P383-Y414 HydrophobicContact CB-CD2 4.43Å; P383-Y414 HydrophobicContact CB-CE1 3.64Å; P383-Y414 HydrophobicContact CB-CE2 4.19Å; P383-Y414 HydrophobicContact CB-CG 4.28Å; P383-Y414 HydrophobicContact CG-CD1 4.46Å; P383-Y414 HydrophobicContact CG-CE1 3.77Å; H410-Y414 AromaticContact CE1-CE2 3.95Å; H410-Y414 AromaticContact NE2-CE2 3.63Å; H410-Y414 VanDerWaalsContact O-CD2 3.24Å; H410-Y414 WeakPolarHBondContact O-CD2 3.46Å; T411-Y414 PolarHBondContact O-N 3.3Å; A412-Y414 PolarHBondContact O-N 3.4Å; Y414-P418 WeakPolarHBondContact O-CD 3.34Å |
| 415 | S | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -81.4 | -33.8 | -178.1 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | T411 A412 P418 I419 L437 | T411-S415 PolarHBondContact O-N 3.16Å; T411-S415 PolarHBondContact O-OG 3.36Å; A412-S415 WeakPolarHBondContact CA-OG 3.32Å; A412-S415 PolarHBondContact O-N 3.26Å; A412-S415 PolarHBondContact O-OG 2.64Å; S415-P418 WeakPolarHBondContact O-CD 3.18Å; S415-I419 WeakPolarHBondContact O-CB 3.45Å; S415-I419 WeakPolarHBondContact O-CD1 3.4Å; S415-I419 WeakPolarHBondContact O-CG1 3.42Å; S415-I419 PolarHBondContact O-N 3.46Å; S415-L437 PolarHBondContact OG-O 2.88Å |
| 416 | W | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | -175.6 | -69.5 | 1.3 | 0 | 0 | 0 | 114.4 | L387 P391 L392 F405 P408 A412 I419 A420 L436 P440 P441 | L387-W416 HydrophobicContact CD1-CZ3 4.3Å; P391-W416 HydrophobicContact CG-CB 4.26Å; L392-W416 HydrophobicContact CD1-CE3 3.99Å; L392-W416 HydrophobicContact CD1-CH2 3.92Å; L392-W416 HydrophobicContact CD1-CZ3 3.59Å; L392-W416 HydrophobicContact CD2-CE3 4.49Å; L392-W416 HydrophobicContact CG-CE3 4.27Å; L392-W416 HydrophobicContact CG-CZ3 4.32Å; F405-W416 AromaticContact CE1-CH2 3.69Å; F405-W416 HydrophobicContact CE1-CH2 3.69Å; F405-W416 HydrophobicContact CE1-CZ2 4.38Å; F405-W416 AromaticContact CZ-CH2 3.94Å; F405-W416 HydrophobicContact CZ-CH2 3.94Å; F405-W416 HydrophobicContact CZ-CZ2 4.18Å; P408-W416 HydrophobicContact CB-CD2 4.44Å; P408-W416 HydrophobicContact CB-CE3 3.95Å; P408-W416 HydrophobicContact CB-CH2 3.87Å; P408-W416 HydrophobicContact CB-CZ2 4.32Å; P408-W416 HydrophobicContact CB-CZ3 3.65Å; P408-W416 HydrophobicContact CG-CE3 4.49Å; P408-W416 HydrophobicContact CG-CZ3 4.06Å; A412-W416 HydrophobicContact CB-CD2 4.34Å; A412-W416 HydrophobicContact CB-CZ2 4.15Å; A412-W416 WeakPolarHBondContact O-CB 3.19Å; A412-W416 PolarHBondContact O-N 3.15Å; W416-I419 PolarHBondContact O-N 2.82Å; W416-A420 VanDerWaalsContact O-CB 3.31Å; W416-A420 WeakPolarHBondContact O-CB 3.43Å; W416-A420 PolarHBondContact O-N 3.02Å; W416-L436 PolarHBondContact NE1-O 3.37Å; W416-P440 HydrophobicContact CZ2-CB 4.26Å; W416-P440 HydrophobicContact CZ2-CG 4.06Å; W416-P441 HydrophobicContact CB-CB 4.27Å; W416-P441 HydrophobicContact CB-CG 4.27Å; W416-P441 HydrophobicContact CG-CB 4.43Å; W416-P441 HydrophobicContact CG-CG 4.04Å |
| 417 | P | 93.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | -178.4 | -18.6 | 30.7 | 0 | 0 | 0 | 114.6 | C384 S413 R421 | C384-P417 HydrophobicContact CB-CG 4.35Å; S413-P417 VanDerWaalsContact O-CD 3.29Å; S413-P417 WeakPolarHBondContact O-CD 3.44Å; P417-R421 WeakPolarHBondContact O-CG 3.42Å; P417-R421 PolarHBondContact O-N 3.49Å |
| 418 | P | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.6 | -22.2 | 33.1 | 0 | 0 | 0 | 113.1 | I381 Y414 S415 A420 R421 G422 C423 M425 C602 | I381-P418 HydrophobicContact CD1-CG 3.73Å; I381-P418 HydrophobicContact CG1-CG 4.06Å; I381-P418 HydrophobicContact CG2-CG 4.14Å; Y414-P418 WeakPolarHBondContact O-CD 3.34Å; S415-P418 WeakPolarHBondContact O-CD 3.18Å; P418-A420 PolarHBondContact O-N 3.03Å; P418-R421 PolarHBondContact O-N 3.25Å; P418-R421 VanDerWaalsContact O-N 3.14Å; P418-G422 PolarHBondContact O-N 3.38Å; P418-C423 HydrophobicContact CB-CB 4.2Å; P418-C423 PolarHBondContact O-N 2.89Å; P418-C423 VanDerWaalsContact O-N 3.12Å; P418-M425 HydrophobicContact CB-SD 3.68Å; P418-M425 HydrophobicContact CG-CE 4.38Å; P418-M425 HydrophobicContact CG-SD 3.92Å; P418-C602 HydrophobicContact CB-CB 4.15Å; P418-C602 HydrophobicContact CG-CB 4.33Å |
| 419 | I | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | -177.4 | -64.8 | 168.7 | 0 | 0 | 0 | 110.7 | S415 W416 R421 G422 M425 P441 Q578 V580 | S415-I419 WeakPolarHBondContact O-CB 3.45Å; S415-I419 WeakPolarHBondContact O-CD1 3.4Å; S415-I419 WeakPolarHBondContact O-CG1 3.42Å; S415-I419 PolarHBondContact O-N 3.46Å; W416-I419 PolarHBondContact O-N 2.82Å; I419-R421 PolarHBondContact O-N 3.14Å; I419-G422 PolarHBondContact O-N 2.66Å; I419-M425 HydrophobicContact CD1-CG 4.36Å; I419-M425 HydrophobicContact CG1-CB 4.16Å; I419-M425 HydrophobicContact CG1-CG 4.05Å; I419-P441 HydrophobicContact CB-CB 3.91Å; I419-P441 HydrophobicContact CB-CG 3.8Å; I419-P441 HydrophobicContact CD1-CG 4.25Å; I419-P441 HydrophobicContact CG2-CB 3.8Å; I419-P441 HydrophobicContact CG2-CG 3.65Å; I419-Q578 PolarHBondContact O-NE2 2.88Å; I419-Q578 VanDerWaalsContact O-NE2 3.11Å; I419-V580 HydrophobicContact CD1-CG1 3.82Å; I419-V580 HydrophobicContact CG1-CG1 4.19Å; I419-V580 HydrophobicContact CG1-CG2 4.24Å; I419-V580 HydrophobicContact CG2-CG2 4.34Å |
| 420 | A | 92.2 | Very high | 93.2 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 14% | 0.14 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.3 | -19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P391 W416 P418 P441 | P391-A420 HydrophobicContact CB-CB 3.81Å; P391-A420 HydrophobicContact CG-CB 3.79Å; W416-A420 VanDerWaalsContact O-CB 3.31Å; W416-A420 WeakPolarHBondContact O-CB 3.43Å; W416-A420 PolarHBondContact O-N 3.02Å; P418-A420 PolarHBondContact O-N 3.03Å; A420-P441 HydrophobicContact CB-CB 3.98Å |
| 421 | R | 89.9 | Confident | 93.1 | Very high | 151 Ų | 151 | 20 Ų | 20 | 57% | 0.57 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.4 | 173.3 | -71.6 | -171.3 | -58.7 | -107.4 | 4 | 113.9 | P417 P418 I419 | P417-R421 WeakPolarHBondContact O-CG 3.42Å; P417-R421 PolarHBondContact O-N 3.49Å; P418-R421 PolarHBondContact O-N 3.25Å; P418-R421 VanDerWaalsContact O-N 3.14Å; I419-R421 PolarHBondContact O-N 3.14Å |
| 422 | G | 90.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 12% | 0.124 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 21.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P418 I419 | P418-G422 PolarHBondContact O-N 3.38Å; I419-G422 PolarHBondContact O-N 2.66Å |
| 423 | C | 91.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 23 Ų | 23 | 28% | 0.277 | 12% | 0.122 | S | C | . | . | trans | -81.7 | 144.9 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | P418 Q578 | P418-C423 HydrophobicContact CB-CB 4.2Å; P418-C423 PolarHBondContact O-N 2.89Å; P418-C423 VanDerWaalsContact O-N 3.12Å; C423-Q578 WeakPolarHBondContact O-CG 3.13Å; C423-Q578 PolarHBondContact O-NE2 3.31Å | ||
| 424 | D | 95 | Very high | 92.6 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | trans | -58.7 | 138.1 | 167.2 | -73.7 | -14.3 | 0 | 0 | 0 | 110.3 | Q578 I579 M598 K599 P601 C602 | D424-Q578 VanDerWaalsContact OD1-CA 3.31Å; D424-Q578 WeakPolarHBondContact OD1-CA 3.28Å; D424-I579 WeakPolarHBondContact CA-O 3.48Å; D424-I579 PolarHBondContact OD1-N 3Å; D424-M598 HydrophobicContact CB-CB 4.13Å; D424-M598 HydrophobicContact CB-CG 4.2Å; D424-M598 HydrophobicContact CB-SD 4.48Å; D424-M598 VanDerWaalsContact OD2-CA 3.22Å; D424-M598 WeakPolarHBondContact OD2-CA 3.4Å; D424-M598 WeakPolarHBondContact OD2-CB 3.22Å; D424-K599 PolarHBondContact OD2-N 2.62Å; D424-P601 HydrophobicContact CB-CB 3.9Å; D424-P601 WeakPolarHBondContact O-CA 3.35Å; D424-C602 PolarHBondContact O-N 3.18Å | ||
| 425 | M | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 134.3 | -168 | -170.3 | 76.2 | -173.4 | 0 | 0 | 111.9 | P418 I419 V427 I579 V580 A581 C602 V604 | P418-M425 HydrophobicContact CB-SD 3.68Å; P418-M425 HydrophobicContact CG-CE 4.38Å; P418-M425 HydrophobicContact CG-SD 3.92Å; I419-M425 HydrophobicContact CD1-CG 4.36Å; I419-M425 HydrophobicContact CG1-CB 4.16Å; I419-M425 HydrophobicContact CG1-CG 4.05Å; M425-V427 HydrophobicContact CE-CG2 3.56Å; M425-V427 HydrophobicContact CG-CG2 3.72Å; M425-I579 PolarHBondContact N-O 2.99Å; M425-V580 HydrophobicContact CB-CG1 4.34Å; M425-V580 HydrophobicContact CB-CG2 4.5Å; M425-V580 WeakPolarHBondContact O-CA 3.42Å; M425-A581 PolarHBondContact O-N 3.48Å; M425-C602 CarbonylContact C-O 3.56Å; M425-C602 WeakPolarHBondContact CA-O 2.97Å; M425-C602 HydrophobicContact CE-CB 4.46Å; M425-C602 HydrophobicContact SD-CB 3.37Å; M425-C602 WeakPolarHBondContact SD-CB 3.22Å; M425-V604 HydrophobicContact CE-CB 3.65Å; M425-V604 HydrophobicContact CE-CG2 3.15Å |
| 426 | V | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.4 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | I428 A581 W586 I590 V594 M598 C602 V603 V604 | V426-I428 HydrophobicContact CG1-CD1 4.32Å; V426-I428 HydrophobicContact CG1-CG1 4.21Å; V426-A581 CarbonylContact C-O 3.57Å; V426-A581 WeakPolarHBondContact CA-O 3.37Å; V426-A581 HydrophobicContact CG2-CB 4.34Å; V426-W586 HydrophobicContact CG1-CZ3 3.99Å; V426-I590 HydrophobicContact CG1-CG2 3.92Å; V426-V594 HydrophobicContact CG2-CG2 3.54Å; V426-M598 HydrophobicContact CG2-CE 3.86Å; V426-M598 HydrophobicContact CG2-SD 3.68Å; V426-C602 PolarHBondContact N-O 2.81Å; V426-V603 HydrophobicContact CB-CG1 4.46Å; V426-V603 HydrophobicContact CB-CG2 4.36Å; V426-V603 WeakPolarHBondContact O-CA 3.48Å; V426-V604 PolarHBondContact O-N 3.29Å |
| 427 | V | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.9 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | T411 M425 L437 A581 V582 G583 V604 | T411-V427 HydrophobicContact CG2-CG1 3.4Å; T411-V427 VanDerWaalsContact CG2-CG1 3.4Å; M425-V427 HydrophobicContact CE-CG2 3.56Å; M425-V427 HydrophobicContact CG-CG2 3.72Å; V427-L437 HydrophobicContact CG1-CD1 4.3Å; V427-A581 PolarHBondContact N-O 2.99Å; V427-V582 HydrophobicContact CB-CG1 4.21Å; V427-V582 HydrophobicContact CB-CG2 4.29Å; V427-V582 HydrophobicContact CG1-CG1 4.46Å; V427-V582 WeakPolarHBondContact O-CA 3.46Å; V427-G583 PolarHBondContact O-N 3.46Å; V427-V604 WeakPolarHBondContact CA-O 3.38Å |
| 428 | I | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.3 | 173.7 | -56.8 | -57.5 | 0 | 0 | 0 | 110.2 | V426 G583 V584 W586 I590 V604 I605 T606 E610 | V426-I428 HydrophobicContact CG1-CD1 4.32Å; V426-I428 HydrophobicContact CG1-CG1 4.21Å; I428-G583 WeakPolarHBondContact CA-O 3.47Å; I428-V584 WeakPolarHBondContact CG2-O 3.36Å; I428-W586 HydrophobicContact CG1-CE3 3.94Å; I428-I590 HydrophobicContact CD1-CD1 4.2Å; I428-V604 PolarHBondContact N-O 3.35Å; I428-I605 HydrophobicContact CB-CG1 4.2Å; I428-I605 HydrophobicContact CB-CG2 4.15Å; I428-I605 HydrophobicContact CG2-CG2 4.33Å; I428-I605 WeakPolarHBondContact O-CA 3.26Å; I428-T606 PolarHBondContact O-N 2.85Å; I428-E610 HydrophobicContact CG2-CB 3.83Å; I428-E610 HydrophobicContact CG2-CG 4.03Å |
| 429 | S | 93.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | trans | -156.2 | 154.9 | -176.1 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | T411 C431 G432 G583 V584 T606 | T411-S429 PolarHBondContact OG1-OG 3.08Å; S429-C431 PolarHBondContact O-N 3.38Å; S429-C431 VanDerWaalsContact O-N 3.14Å; S429-C431 PolarHBondContact OG-N 3.16Å; S429-G432 WeakPolarHBondContact O-CA 3.34Å; S429-G432 PolarHBondContact O-N 3.3Å; S429-G583 PolarHBondContact N-O 2.89Å; S429-G583 VanDerWaalsContact N-O 3.07Å; S429-V584 WeakPolarHBondContact O-CA 3.33Å; S429-T606 WeakPolarHBondContact CB-OG1 3.19Å; S429-T606 PolarHBondContact OG-OG1 2.85Å | ||
| 430 | H | 88.3 | Confident | 92.5 | Very high | 75 Ų | 75 | 25.8 Ų | 25.8 | 35% | 0.347 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.4 | 167 | -62.7 | -62.4 | 0 | 0 | 0 | 113.3 | G432 E609 | H430-G432 VanDerWaalsContact C-N 3.3Å; H430-E609 IonicContact CE1-OE1 2.79Å; H430-E609 PolarHBondContact CE1-OE1 2.96Å; H430-E609 IonicContact CE1-OE2 2.67Å; H430-E609 IonicContact ND1-OE1 3.6Å; H430-E609 IonicContact NE2-OE1 2.63Å; H430-E609 PolarHBondContact NE2-OE1 3.12Å; H430-E609 IonicContact NE2-OE2 2.78Å |
| 431 | C | 88.3 | Confident | 92.5 | Very high | 64 Ų | 64 | 25 Ų | 25 | 43% | 0.432 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 17.1 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | S429 N433 D434 L437 | S429-C431 PolarHBondContact O-N 3.38Å; S429-C431 VanDerWaalsContact O-N 3.14Å; S429-C431 PolarHBondContact OG-N 3.16Å; C431-N433 PolarHBondContact O-N 3.43Å; C431-D434 VanDerWaalsContact O-CB 3.26Å; C431-D434 WeakPolarHBondContact O-CB 3.42Å; C431-D434 PolarHBondContact O-N 2.98Å; C431-L437 VanDerWaalsContact O-CD1 3.25Å; C431-L437 WeakPolarHBondContact O-CD1 3.41Å |
| 432 | G | 86.6 | Confident | 92.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S429 H430 V582 G583 | S429-G432 WeakPolarHBondContact O-CA 3.34Å; S429-G432 PolarHBondContact O-N 3.3Å; H430-G432 VanDerWaalsContact C-N 3.3Å; G432-V582 WeakPolarHBondContact O-CG1 3.48Å; G432-G583 WeakPolarHBondContact CA-O 3.45Å |
| 433 | N | 88.5 | Confident | 92.7 | Very high | 71 Ų | 71 | 17.6 Ų | 17.6 | 38% | 0.38 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.3 | 174.3 | -59 | -14.5 | 0 | 0 | 0 | 112.5 | C431 P435 K472 E544 V584 | C431-N433 PolarHBondContact O-N 3.43Å; N433-P435 WeakPolarHBondContact O-CD 3.14Å; N433-K472 PolarHBondContact O-NZ 3.07Å; N433-E544 HydrophobicContact CB-CG 4.48Å; N433-E544 WeakPolarHBondContact OD1-CG 3.48Å; N433-V584 WeakPolarHBondContact OD1-CG2 3.44Å |
| 434 | D | 92.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 15.8 Ų | 15.8 | 30% | 0.299 | 9% | 0.087 | S | C | . | . | trans | -81.8 | 113.9 | 179.1 | -176.8 | -0.2 | 0 | 0 | 0 | 110.6 | C431 L436 L437 | C431-D434 VanDerWaalsContact O-CB 3.26Å; C431-D434 WeakPolarHBondContact O-CB 3.42Å; C431-D434 PolarHBondContact O-N 2.98Å; D434-L436 PolarHBondContact O-N 3.44Å; D434-L436 VanDerWaalsContact O-N 3.11Å; D434-L436 VanDerWaalsContact OD1-CB 3.3Å; D434-L436 WeakPolarHBondContact OD1-CB 3.43Å; D434-L436 VanDerWaalsContact OD1-CG 3.31Å; D434-L436 WeakPolarHBondContact OD1-CG 3.3Å; D434-L436 PolarHBondContact OD1-N 3.03Å; D434-L437 HydrophobicContact CB-CG 4.44Å; D434-L437 WeakPolarHBondContact O-CB 3.47Å; D434-L437 WeakPolarHBondContact O-CG 3.37Å; D434-L437 PolarHBondContact O-N 3.33Å | ||
| 435 | P | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 3% | 0.032 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -63.7 | -19 | -179.4 | -19.8 | 33.7 | 0 | 0 | 0 | 113.7 | N433 L437 Y438 L439 F475 I476 L479 | N433-P435 WeakPolarHBondContact O-CD 3.14Å; P435-L437 PolarHBondContact O-N 3.46Å; P435-L437 VanDerWaalsContact O-N 3.1Å; P435-Y438 HydrophobicContact CB-CE1 4.18Å; P435-Y438 PolarHBondContact O-N 3.37Å; P435-L439 WeakPolarHBondContact O-CB 3.36Å; P435-L439 PolarHBondContact O-N 3.21Å; P435-F475 HydrophobicContact CG-CD1 4.35Å; P435-F475 HydrophobicContact CG-CE1 3.68Å; P435-I476 HydrophobicContact CB-CD1 3.42Å; P435-I476 VanDerWaalsContact CB-CD1 3.42Å; P435-I476 HydrophobicContact CG-CD1 3.19Å; P435-L479 HydrophobicContact CB-CD2 3.82Å; P435-L479 HydrophobicContact CG-CD2 4.06Å |
| 436 | L | 92 | Very high | 92.1 | Very high | 30 Ų | 30 | 15.5 Ų | 15.5 | 16% | 0.157 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -63.9 | -13.9 | 177.7 | -61.1 | 179.1 | 0 | 0 | 0 | 113.1 | F405 W416 D434 Y438 P440 Y483 | F405-L436 HydrophobicContact CD2-CD1 4.17Å; F405-L436 HydrophobicContact CE2-CD1 3.74Å; W416-L436 PolarHBondContact NE1-O 3.37Å; D434-L436 PolarHBondContact O-N 3.44Å; D434-L436 VanDerWaalsContact O-N 3.11Å; D434-L436 VanDerWaalsContact OD1-CB 3.3Å; D434-L436 WeakPolarHBondContact OD1-CB 3.43Å; D434-L436 VanDerWaalsContact OD1-CG 3.31Å; D434-L436 WeakPolarHBondContact OD1-CG 3.3Å; D434-L436 PolarHBondContact OD1-N 3.03Å; L436-Y438 VanDerWaalsContact C-N 3.32Å; L436-Y438 PolarHBondContact O-N 2.92Å; L436-P440 HydrophobicContact CD2-CG 4.2Å; L436-P440 VanDerWaalsContact O-CD 3.25Å; L436-P440 WeakPolarHBondContact O-CD 3.45Å; L436-Y483 HydrophobicContact CD2-CE2 4.29Å; L436-Y483 WeakPolarHBondContact CD2-OH 3.39Å |
| 437 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -67.8 | -29.7 | 175.1 | -64.7 | -176.9 | 0 | 0 | 0 | 113.5 | T411 A412 S415 V427 C431 D434 P435 V582 | T411-L437 HydrophobicContact CG2-CD1 4.16Å; T411-L437 HydrophobicContact CG2-CD2 3.88Å; A412-L437 HydrophobicContact CB-CD2 3.99Å; S415-L437 PolarHBondContact OG-O 2.88Å; V427-L437 HydrophobicContact CG1-CD1 4.3Å; C431-L437 VanDerWaalsContact O-CD1 3.25Å; C431-L437 WeakPolarHBondContact O-CD1 3.41Å; D434-L437 HydrophobicContact CB-CG 4.44Å; D434-L437 WeakPolarHBondContact O-CB 3.47Å; D434-L437 WeakPolarHBondContact O-CG 3.37Å; D434-L437 PolarHBondContact O-N 3.33Å; P435-L437 PolarHBondContact O-N 3.46Å; P435-L437 VanDerWaalsContact O-N 3.1Å; L437-V582 HydrophobicContact CB-CG1 4.28Å; L437-V582 HydrophobicContact CD1-CG1 3.83Å |
| 438 | Y | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -28.4 | -176.4 | 69.6 | -96.2 | 0 | 0 | 0 | 113.8 | P435 L436 P441 L442 I465 I476 V541 D543 V582 | P435-Y438 HydrophobicContact CB-CE1 4.18Å; P435-Y438 PolarHBondContact O-N 3.37Å; L436-Y438 VanDerWaalsContact C-N 3.32Å; L436-Y438 PolarHBondContact O-N 2.92Å; Y438-P441 VanDerWaalsContact O-CD 3.3Å; Y438-P441 WeakPolarHBondContact O-CD 3.38Å; Y438-P441 VanDerWaalsContact O-CG 3.3Å; Y438-P441 WeakPolarHBondContact O-CG 3.35Å; Y438-L442 HydrophobicContact CD2-CD2 4.41Å; Y438-L442 WeakPolarHBondContact O-CB 3.38Å; Y438-L442 PolarHBondContact O-N 3.27Å; Y438-L442 VanDerWaalsContact O-N 3.09Å; Y438-I465 HydrophobicContact CE2-CD1 4.26Å; Y438-I465 HydrophobicContact CE2-CG2 4.42Å; Y438-I476 WeakPolarHBondContact OH-CD1 3.43Å; Y438-V541 HydrophobicContact CD1-CG1 4.43Å; Y438-V541 HydrophobicContact CD2-CG1 3.64Å; Y438-V541 HydrophobicContact CD2-CG2 4.46Å; Y438-V541 HydrophobicContact CE1-CG1 4.42Å; Y438-V541 HydrophobicContact CE2-CG1 3.67Å; Y438-V541 HydrophobicContact CG-CG1 4.05Å; Y438-D543 HydrophobicContact CE1-CB 4.45Å; Y438-V582 HydrophobicContact CD1-CB 4.36Å; Y438-V582 HydrophobicContact CD1-CG2 3.84Å; Y438-V582 HydrophobicContact CG-CG2 4.31Å |
| 439 | L | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -48 | -170.5 | -166.8 | 68.7 | 0 | 0 | 0 | 112.8 | P435 L442 L443 I465 L479 L480 Y483 | P435-L439 WeakPolarHBondContact O-CB 3.36Å; P435-L439 PolarHBondContact O-N 3.21Å; L439-L442 PolarHBondContact O-N 2.97Å; L439-L443 HydrophobicContact CD1-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.1Å; L439-L443 HydrophobicContact CG-CG 4.36Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.48Å; L439-L443 PolarHBondContact O-N 2.97Å; L439-I465 HydrophobicContact CD1-CD1 4.11Å; L439-L479 HydrophobicContact CD2-CD2 3.68Å; L439-L479 HydrophobicContact CD2-CG 3.89Å; L439-L480 HydrophobicContact CD1-CD2 3.64Å; L439-L480 HydrophobicContact CD1-CG 4.24Å; L439-L480 HydrophobicContact CD2-CD2 4.38Å; L439-L480 HydrophobicContact CG-CD2 4.35Å; L439-Y483 HydrophobicContact CD2-CD2 4.13Å; L439-Y483 HydrophobicContact CD2-CE2 4.36Å |
| 440 | P | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.6 | -50.5 | 178.7 | -23.3 | 34 | 0 | 0 | 0 | 115.1 | L392 L396 W416 L436 L442 L443 T444 | L392-P440 HydrophobicContact CD1-CB 4.01Å; L392-P440 HydrophobicContact CD2-CB 3.92Å; L396-P440 HydrophobicContact CD2-CB 3.88Å; L396-P440 WeakPolarHBondContact CD2-O 3.36Å; W416-P440 HydrophobicContact CZ2-CB 4.26Å; W416-P440 HydrophobicContact CZ2-CG 4.06Å; L436-P440 HydrophobicContact CD2-CG 4.2Å; L436-P440 VanDerWaalsContact O-CD 3.25Å; L436-P440 WeakPolarHBondContact O-CD 3.45Å; P440-L442 VanDerWaalsContact C-N 3.33Å; P440-L442 PolarHBondContact O-N 3.43Å; P440-L443 PolarHBondContact O-N 3.15Å; P440-T444 PolarHBondContact O-N 3.03Å; P440-T444 VanDerWaalsContact O-N 3.14Å; P440-T444 PolarHBondContact O-OG1 2.95Å; P440-T444 VanDerWaalsContact O-OG1 3.09Å |
| 441 | P | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -33.8 | 178 | 28.6 | -37.1 | 0 | 0 | 0 | 112.2 | L392 W416 I419 A420 Y438 T444 I445 | L392-P441 HydrophobicContact CD2-CB 4.24Å; W416-P441 HydrophobicContact CB-CB 4.27Å; W416-P441 HydrophobicContact CB-CG 4.27Å; W416-P441 HydrophobicContact CG-CB 4.43Å; W416-P441 HydrophobicContact CG-CG 4.04Å; I419-P441 HydrophobicContact CB-CB 3.91Å; I419-P441 HydrophobicContact CB-CG 3.8Å; I419-P441 HydrophobicContact CD1-CG 4.25Å; I419-P441 HydrophobicContact CG2-CB 3.8Å; I419-P441 HydrophobicContact CG2-CG 3.65Å; A420-P441 HydrophobicContact CB-CB 3.98Å; Y438-P441 VanDerWaalsContact O-CD 3.3Å; Y438-P441 WeakPolarHBondContact O-CD 3.38Å; Y438-P441 VanDerWaalsContact O-CG 3.3Å; Y438-P441 WeakPolarHBondContact O-CG 3.35Å; P441-T444 WeakPolarHBondContact O-CB 3.48Å; P441-T444 PolarHBondContact O-N 2.91Å; P441-I445 PolarHBondContact O-N 2.91Å; P441-I445 VanDerWaalsContact O-N 3.15Å |
| 442 | L | 93.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.1 | 179.8 | 70.6 | 0 | 0 | 0 | 112.1 | Y438 L439 P440 T444 I445 L446 I465 H539 V541 | Y438-L442 HydrophobicContact CD2-CD2 4.41Å; Y438-L442 WeakPolarHBondContact O-CB 3.38Å; Y438-L442 PolarHBondContact O-N 3.27Å; Y438-L442 VanDerWaalsContact O-N 3.09Å; L439-L442 PolarHBondContact O-N 2.97Å; P440-L442 VanDerWaalsContact C-N 3.33Å; P440-L442 PolarHBondContact O-N 3.43Å; L442-T444 PolarHBondContact O-N 3.31Å; L442-I445 HydrophobicContact CD1-CG2 4.43Å; L442-I445 WeakPolarHBondContact O-CG2 3.21Å; L442-I445 PolarHBondContact O-N 3.27Å; L442-L446 HydrophobicContact CD1-CD1 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.05Å; L442-L446 WeakPolarHBondContact O-CB 3.47Å; L442-L446 VanDerWaalsContact O-CG 3.28Å; L442-L446 WeakPolarHBondContact O-CG 3.48Å; L442-L446 PolarHBondContact O-N 3.46Å; L442-I465 HydrophobicContact CD2-CD1 4.28Å; L442-H539 HydrophobicContact CD1-CB 3.82Å; L442-V541 HydrophobicContact CD1-CG2 4.38Å; L442-V541 HydrophobicContact CD2-CG2 3.81Å |
| 443 | L | 91.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 177.1 | -70.1 | 175.6 | 0 | 0 | 0 | 111.6 | L396 L439 P440 L446 Q447 L480 Y483 L490 | L396-L443 HydrophobicContact CD1-CD1 4.46Å; L396-L443 HydrophobicContact CD2-CB 4.36Å; L439-L443 HydrophobicContact CD1-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.1Å; L439-L443 HydrophobicContact CG-CG 4.36Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.48Å; L439-L443 PolarHBondContact O-N 2.97Å; P440-L443 PolarHBondContact O-N 3.15Å; L443-L446 PolarHBondContact O-N 2.85Å; L443-Q447 WeakPolarHBondContact O-CB 3.46Å; L443-Q447 WeakPolarHBondContact O-CG 3.49Å; L443-Q447 PolarHBondContact O-N 3.43Å; L443-L480 HydrophobicContact CD1-CD2 4.5Å; L443-L480 HydrophobicContact CD2-CD2 3.74Å; L443-Y483 HydrophobicContact CD1-CD2 4.45Å; L443-Y483 HydrophobicContact CD1-CG 4.32Å; L443-L490 HydrophobicContact CD2-CD1 3.54Å |
| 444 | T | 90.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | P391 L392 S393 P440 P441 L442 L446 Q447 M448 | P391-T444 WeakPolarHBondContact O-CG2 3.46Å; L392-T444 WeakPolarHBondContact CA-OG1 3.35Å; S393-T444 PolarHBondContact N-OG1 3.39Å; P440-T444 PolarHBondContact O-N 3.03Å; P440-T444 VanDerWaalsContact O-N 3.14Å; P440-T444 PolarHBondContact O-OG1 2.95Å; P440-T444 VanDerWaalsContact O-OG1 3.09Å; P441-T444 WeakPolarHBondContact O-CB 3.48Å; P441-T444 PolarHBondContact O-N 2.91Å; L442-T444 PolarHBondContact O-N 3.31Å; T444-L446 VanDerWaalsContact C-N 3.32Å; T444-L446 PolarHBondContact O-N 3.14Å; T444-Q447 PolarHBondContact O-N 3.3Å; T444-M448 HydrophobicContact CG2-SD 4.18Å; T444-M448 WeakPolarHBondContact O-CG 3.47Å; T444-M448 PolarHBondContact O-N 2.91Å; T444-M448 VanDerWaalsContact O-N 3.12Å |
| 445 | I | 89.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 179.2 | -167.5 | 168.1 | 0 | 0 | 0 | 112 | P441 L442 Y452 | P441-I445 PolarHBondContact O-N 2.91Å; P441-I445 VanDerWaalsContact O-N 3.15Å; L442-I445 HydrophobicContact CD1-CG2 4.43Å; L442-I445 WeakPolarHBondContact O-CG2 3.21Å; L442-I445 PolarHBondContact O-N 3.27Å; I445-Y452 VanDerWaalsContact C-OH 3.31Å; I445-Y452 VanDerWaalsContact O-CE2 3.31Å; I445-Y452 WeakPolarHBondContact O-CE2 3.45Å; I445-Y452 PolarHBondContact O-OH 3.38Å |
| 446 | L | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.4 | -71.9 | 172.7 | 0 | 0 | 0 | 112.1 | L442 L443 T444 L462 A463 R488 L490 V515 | L442-L446 HydrophobicContact CD1-CD1 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.05Å; L442-L446 WeakPolarHBondContact O-CB 3.47Å; L442-L446 VanDerWaalsContact O-CG 3.28Å; L442-L446 WeakPolarHBondContact O-CG 3.48Å; L442-L446 PolarHBondContact O-N 3.46Å; L443-L446 PolarHBondContact O-N 2.85Å; T444-L446 VanDerWaalsContact C-N 3.32Å; T444-L446 PolarHBondContact O-N 3.14Å; L446-L462 HydrophobicContact CD2-CB 3.64Å; L446-L462 HydrophobicContact CD2-CD1 4.18Å; L446-A463 HydrophobicContact CD1-CB 4.04Å; L446-A463 HydrophobicContact CD2-CB 4.19Å; L446-R488 PolarHBondContact O-NH1 3.17Å; L446-L490 HydrophobicContact CB-CD1 4.03Å; L446-L490 HydrophobicContact CB-CD2 4.16Å; L446-L490 HydrophobicContact CD1-CD1 4.25Å; L446-V515 HydrophobicContact CD1-CG2 3.76Å |
| 447 | Q | 85.7 | Confident | 84.7 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.3 | -37.9 | -179.7 | -75.3 | 166.9 | -5.4 | 0 | 0 | 112.9 | S393 L443 T444 G449 S486 R488 L490 | S393-Q447 PolarHBondContact OG-OE1 3.04Å; L443-Q447 WeakPolarHBondContact O-CB 3.46Å; L443-Q447 WeakPolarHBondContact O-CG 3.49Å; L443-Q447 PolarHBondContact O-N 3.43Å; T444-Q447 PolarHBondContact O-N 3.3Å; Q447-G449 PolarHBondContact O-N 3.32Å; Q447-G449 VanDerWaalsContact O-N 3.08Å; Q447-S486 PolarHBondContact NE2-OG 3.4Å; Q447-R488 WeakPolarHBondContact O-CD 3.44Å; Q447-R488 PolarHBondContact O-NH1 3.4Å; Q447-L490 HydrophobicContact CG-CD1 4.48Å |
| 448 | M | 80.1 | Confident | 83.8 | Confident | 129 Ų | 129 | 42.3 Ų | 42.3 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -58 | -26.7 | -175.1 | -77.1 | 172.7 | 62.6 | 0 | 0 | 114.5 | T444 G450 | T444-M448 HydrophobicContact CG2-SD 4.18Å; T444-M448 WeakPolarHBondContact O-CG 3.47Å; T444-M448 PolarHBondContact O-N 2.91Å; T444-M448 VanDerWaalsContact O-N 3.12Å; M448-G450 PolarHBondContact O-N 2.99Å |
| 449 | G | 69.5 | Low | 82.8 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | trans | 68.5 | -30.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q447 C451 Y452 | Q447-G449 PolarHBondContact O-N 3.32Å; Q447-G449 VanDerWaalsContact O-N 3.08Å; G449-C451 VanDerWaalsContact C-N 3.25Å; G449-C451 PolarHBondContact O-N 3.06Å; G449-Y452 PolarHBondContact O-N 3.27Å | ||
| 450 | G | 73.5 | Confident | 82.2 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -59.4 | -34.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M448 Y452 | M448-G450 PolarHBondContact O-N 2.99Å; G450-Y452 VanDerWaalsContact C-N 3.26Å; G450-Y452 PolarHBondContact O-N 3.46Å |
| 451 | C | 74.9 | Confident | 82.2 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -74.9 | -9.1 | -176.5 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | G449 | G449-C451 VanDerWaalsContact C-N 3.25Å; G449-C451 PolarHBondContact O-N 3.06Å |
| 452 | Y | 84.5 | Confident | 82.1 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -111.2 | 5.5 | -174.4 | -50.7 | -60.3 | 0 | 0 | 0 | 113.6 | I445 G449 G450 S454 L455 L462 C538 H539 P576 | I445-Y452 VanDerWaalsContact C-OH 3.31Å; I445-Y452 VanDerWaalsContact O-CE2 3.31Å; I445-Y452 WeakPolarHBondContact O-CE2 3.45Å; I445-Y452 PolarHBondContact O-OH 3.38Å; G449-Y452 PolarHBondContact O-N 3.27Å; G450-Y452 VanDerWaalsContact C-N 3.26Å; G450-Y452 PolarHBondContact O-N 3.46Å; Y452-S454 PolarHBondContact O-N 3.36Å; Y452-L455 HydrophobicContact CD1-CD1 4.01Å; Y452-L455 HydrophobicContact CG-CD1 4.32Å; Y452-L455 WeakPolarHBondContact O-CB 3.21Å; Y452-L455 WeakPolarHBondContact O-CG 3.3Å; Y452-L455 PolarHBondContact O-N 2.95Å; Y452-L455 VanDerWaalsContact O-N 3.16Å; Y452-L462 HydrophobicContact CD1-CD2 3.97Å; Y452-L462 HydrophobicContact CD2-CD1 4.09Å; Y452-L462 HydrophobicContact CE2-CD1 4.32Å; Y452-L462 HydrophobicContact CG-CD1 4.31Å; Y452-L462 HydrophobicContact CG-CD2 4.03Å; Y452-C538 HydrophobicContact CE1-CB 4.04Å; Y452-H539 AromaticContact CE1-NE2 3.65Å; Y452-H539 AromaticContact CZ-NE2 3.64Å; Y452-H539 PolarHBondContact OH-NE2 2.94Å; Y452-P576 HydrophobicContact CE1-CG 3.99Å |
| 453 | K | 78.8 | Confident | 82.2 | Confident | 182 Ų | 182 | 47.2 Ų | 47.2 | 79% | 0.791 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.8 | -176.3 | -70.3 | -179.7 | 177.5 | 178.9 | 0 | 113.5 | L455 | K453-L455 VanDerWaalsContact C-N 3.29Š|
| 454 | S | 76.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.6 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | Y452 S574 | Y452-S454 PolarHBondContact O-N 3.36Å; S454-S574 WeakPolarHBondContact CB-OG 3.49Å; S454-S574 PolarHBondContact OG-OG 2.87Å |
| 455 | L | 80.6 | Confident | 82.9 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.1 | 147.1 | 179.9 | -63.2 | -177.3 | 0 | 0 | 0 | 111.5 | Y452 K453 L462 R536 R572 A575 | Y452-L455 HydrophobicContact CD1-CD1 4.01Å; Y452-L455 HydrophobicContact CG-CD1 4.32Å; Y452-L455 WeakPolarHBondContact O-CB 3.21Å; Y452-L455 WeakPolarHBondContact O-CG 3.3Å; Y452-L455 PolarHBondContact O-N 2.95Å; Y452-L455 VanDerWaalsContact O-N 3.16Å; K453-L455 VanDerWaalsContact C-N 3.29Å; L455-L462 HydrophobicContact CD1-CD2 3.35Å; L455-R536 HydrophobicContact CB-CG 4.45Å; L455-R536 HydrophobicContact CD1-CB 4.34Å; L455-R572 VanDerWaalsContact CD2-NH1 3.29Å; L455-A575 HydrophobicContact CD2-CB 3.96Å |
| 456 | P | 77.1 | Confident | 83.3 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | trans | -61.8 | 142.6 | 177.8 | 26.1 | -34.7 | 0 | 0 | 0 | 110.9 | R458 R536 R572 | P456-R458 HydrophobicContact CB-CG 4.21Å; P456-R458 PolarHBondContact O-N 2.94Å; P456-R536 HydrophobicContact CG-CG 4.21Å; P456-R536 WeakPolarHBondContact O-CD 3.29Å; P456-R572 VanDerWaalsContact CG-NH2 3.34Å | ||
| 457 | S | 74.6 | Confident | 83.7 | Confident | 136 Ų | 136 | 46.3 Ų | 46.3 | 95% | 0.951 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -72.8 | 66.8 | 172.5 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 458 | R | 75.6 | Confident | 84 | Confident | 160 Ų | 160 | 46.4 Ų | 46.4 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -126 | 158.8 | 179.5 | -69.6 | -174.4 | 179.5 | -156.2 | 2.2 | 110.2 | P456 R536 | P456-R458 HydrophobicContact CB-CG 4.21Å; P456-R458 PolarHBondContact O-N 2.94Å; R458-R536 WeakPolarHBondContact O-CD 3.4Å; R458-R536 PolarHBondContact O-NH1 2.94Å |
| 459 | N | 75.1 | Confident | 84.6 | Confident | 103 Ų | 103 | 40.8 Ų | 40.8 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.8 | 136.2 | 170.3 | -72.1 | -13.6 | 0 | 0 | 0 | 109.7 | ||
| 460 | G | 81.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | 157.9 | 151.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C513 R536 | G460-C513 CarbonylContact C-O 3.45Å; G460-C513 VanDerWaalsContact O-O 3.09Å; G460-R536 PolarHBondContact O-NH1 3.45Å; G460-R536 VanDerWaalsContact O-NH1 3.09Å | ||
| 461 | P | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -71.7 | 151.5 | -177.8 | 33.2 | -38.9 | 0 | 0 | 0 | 112.1 | V464 C513 I516 L532 R536 L537 | P461-V464 HydrophobicContact CB-CG2 4.32Å; P461-V464 HydrophobicContact CG-CG2 3.86Å; P461-C513 WeakPolarHBondContact CA-O 2.85Å; P461-I516 HydrophobicContact CB-CD1 3.94Å; P461-I516 HydrophobicContact CB-CG1 3.96Å; P461-I516 HydrophobicContact CG-CD1 3.69Å; P461-I516 HydrophobicContact CG-CG1 4.26Å; P461-L532 HydrophobicContact CG-CD1 4.16Å; P461-R536 CarbonylContact O-C 3.53Å; P461-R536 VanDerWaalsContact O-O 3.12Å; P461-L537 WeakPolarHBondContact O-CA 3.38Å; P461-L537 PolarHBondContact O-N 3.38Å | ||
| 462 | L | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -84.2 | -32.6 | 164.7 | -65.3 | 175.2 | 0 | 0 | 0 | 111.6 | L446 Y452 L455 D514 C538 H539 | L446-L462 HydrophobicContact CD2-CB 3.64Å; L446-L462 HydrophobicContact CD2-CD1 4.18Å; Y452-L462 HydrophobicContact CD1-CD2 3.97Å; Y452-L462 HydrophobicContact CD2-CD1 4.09Å; Y452-L462 HydrophobicContact CE2-CD1 4.32Å; Y452-L462 HydrophobicContact CG-CD1 4.31Å; Y452-L462 HydrophobicContact CG-CD2 4.03Å; L455-L462 HydrophobicContact CD1-CD2 3.35Å; L462-D514 PolarHBondContact N-O 3.49Å; L462-C538 PolarHBondContact O-N 3.21Å; L462-H539 PolarHBondContact O-N 3.47Å; L462-H539 VanDerWaalsContact O-N 3.09Å |
| 463 | A | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L446 D514 V515 I516 H539 | L446-A463 HydrophobicContact CD1-CB 4.04Å; L446-A463 HydrophobicContact CD2-CB 4.19Å; A463-D514 PolarHBondContact N-O 3.11Å; A463-V515 HydrophobicContact CB-CG1 4.48Å; A463-V515 HydrophobicContact CB-CG2 4.4Å; A463-V515 WeakPolarHBondContact O-CA 3.31Å; A463-I516 PolarHBondContact O-N 3.36Å; A463-H539 CarbonylContact C-O 3.58Å; A463-H539 VanDerWaalsContact CA-O 3.24Å; A463-H539 WeakPolarHBondContact CA-O 3.35Å; A463-H539 HydrophobicContact CB-CB 3.9Å |
| 464 | V | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.9 | 171.2 | 173 | 0 | 0 | 0 | 0 | 108.1 | P461 V466 I516 T518 L523 F534 L537 H539 L540 V541 | P461-V464 HydrophobicContact CB-CG2 4.32Å; P461-V464 HydrophobicContact CG-CG2 3.86Å; V464-V466 HydrophobicContact CG1-CG2 3.99Å; V464-I516 CarbonylContact C-O 3.59Å; V464-I516 WeakPolarHBondContact CA-O 3.3Å; V464-I516 HydrophobicContact CG2-CB 4.24Å; V464-T518 HydrophobicContact CG1-CG2 4.24Å; V464-L523 HydrophobicContact CG1-CD1 4.4Å; V464-L523 HydrophobicContact CG1-CD2 3.75Å; V464-F534 HydrophobicContact CG2-CE1 4.38Å; V464-L537 HydrophobicContact CB-CD1 3.93Å; V464-L537 HydrophobicContact CB-CD2 4.38Å; V464-L537 HydrophobicContact CG2-CD1 3.59Å; V464-L537 HydrophobicContact CG2-CD2 4.07Å; V464-L537 HydrophobicContact CG2-CG 4.48Å; V464-H539 PolarHBondContact N-O 2.85Å; V464-L540 HydrophobicContact CB-CD1 4.25Å; V464-L540 HydrophobicContact CG1-CD1 4.25Å; V464-V541 PolarHBondContact O-N 2.75Å |
| 465 | I | 98.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.9 | 174.6 | -53.2 | 174.2 | 0 | 0 | 0 | 107.7 | Y438 L439 L442 I476 L480 V515 I516 V517 T518 V541 D543 | Y438-I465 HydrophobicContact CE2-CD1 4.26Å; Y438-I465 HydrophobicContact CE2-CG2 4.42Å; L439-I465 HydrophobicContact CD1-CD1 4.11Å; L442-I465 HydrophobicContact CD2-CD1 4.28Å; I465-I476 HydrophobicContact CD1-CG2 3.98Å; I465-I476 HydrophobicContact CG2-CG2 4.37Å; I465-L480 HydrophobicContact CD1-CD1 4.31Å; I465-V515 HydrophobicContact CD1-CG1 4.13Å; I465-V515 HydrophobicContact CG1-CG1 4.44Å; I465-I516 PolarHBondContact N-O 2.98Å; I465-V517 HydrophobicContact CB-CG1 4.45Å; I465-V517 HydrophobicContact CB-CG2 4.48Å; I465-V517 HydrophobicContact CD1-CG2 4.38Å; I465-V517 WeakPolarHBondContact O-CA 3.45Å; I465-T518 PolarHBondContact O-N 3.42Å; I465-V541 HydrophobicContact CB-CB 4.41Å; I465-V541 HydrophobicContact CG1-CB 4.12Å; I465-V541 HydrophobicContact CG1-CG2 4.32Å; I465-V541 HydrophobicContact CG2-CB 4.28Å; I465-V541 HydrophobicContact CG2-CG1 4.3Å; I465-D543 HydrophobicContact CG2-CB 4.47Å |
| 466 | V | 98.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.2 | 179 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | V464 T518 P520 L523 L540 V541 L542 D543 L548 M556 | V464-V466 HydrophobicContact CG1-CG2 3.99Å; V466-T518 WeakPolarHBondContact CA-O 3.14Å; V466-P520 HydrophobicContact CG1-CB 4.39Å; V466-P520 HydrophobicContact CG1-CG 3.66Å; V466-L523 HydrophobicContact CG2-CD2 3.66Å; V466-L540 HydrophobicContact CG2-CD1 3.98Å; V466-V541 PolarHBondContact N-O 3.12Å; V466-L542 HydrophobicContact CB-CD2 4.23Å; V466-L542 HydrophobicContact CG2-CD2 4.28Å; V466-D543 PolarHBondContact O-N 3.2Å; V466-L548 HydrophobicContact CB-CD1 4.46Å; V466-L548 HydrophobicContact CG1-CD1 4.31Å; V466-L548 HydrophobicContact CG1-CD2 4.17Å; V466-M556 HydrophobicContact CG1-CE 4.45Å; V466-M556 HydrophobicContact CG1-SD 4.06Å |
| 467 | C | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -113.5 | 149.8 | 179.9 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | G469 K472 A473 T518 P520 | C467-G469 VanDerWaalsContact C-N 3.29Å; C467-G469 PolarHBondContact O-N 3.15Å; C467-K472 HydrophobicContact CB-CB 4Å; C467-K472 HydrophobicContact CB-CG 3.92Å; C467-A473 HydrophobicContact CB-CB 4.06Å; C467-T518 PolarHBondContact N-O 2.94Å; C467-P520 WeakPolarHBondContact O-CD 3.42Å | ||
| 468 | P | 92.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.2 | -30.4 | -174.3 | 24.3 | -35.7 | 0 | 0 | 0 | 114.5 | E544 M547 L548 | P468-E544 HydrophobicContact CG-CB 4.04Å; P468-M547 HydrophobicContact CB-CB 3.9Å; P468-M547 HydrophobicContact CG-CB 4.36Å; P468-L548 VanDerWaalsContact CA-CD2 3.49Å; P468-L548 HydrophobicContact CB-CD2 4.01Å |
| 469 | G | 93 | Very high | 92.9 | Very high | 11 Ų | 11 | 31 Ų | 31 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -149.4 | 168.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | C467 K471 K472 A473 E982 | C467-G469 VanDerWaalsContact C-N 3.29Å; C467-G469 PolarHBondContact O-N 3.15Å; G469-K471 VanDerWaalsContact C-N 3.26Å; G469-K471 PolarHBondContact O-N 3.39Å; G469-K472 PolarHBondContact O-N 2.95Å; G469-A473 PolarHBondContact O-N 3.43Å; G469-A473 VanDerWaalsContact O-N 3.13Å; G469-E982 VanDerWaalsContact CA-OE1 3.32Å; G469-E982 WeakPolarHBondContact CA-OE1 3.46Å |
| 470 | W | 92.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -31.5 | -174.7 | 72 | -94.4 | 0 | 0 | 0 | 113.6 | A473 Q474 T496 E982 E984 W985 P987 | W470-A473 PolarHBondContact O-N 2.87Å; W470-Q474 WeakPolarHBondContact O-CB 3.36Å; W470-Q474 PolarHBondContact O-N 3.48Å; W470-T496 HydrophobicContact CB-CG2 3.99Å; W470-E982 PolarHBondContact N-OE1 2.9Å; W470-E984 HydrophobicContact CZ2-CB 4.46Å; W470-E984 PolarHBondContact NE1-O 3.02Å; W470-W985 VanDerWaalsContact CZ2-O 3.24Å; W470-W985 WeakPolarHBondContact CZ2-O 3.07Å; W470-P987 HydrophobicContact CE3-CG 4.06Å; W470-P987 HydrophobicContact CH2-CG 3.31Å; W470-P987 HydrophobicContact CZ2-CG 4.12Å; W470-P987 HydrophobicContact CZ3-CG 3.27Å |
| 471 | K | 92.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 27.9 Ų | 27.9 | 44% | 0.435 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 178.5 | -80.3 | -163.2 | 176.7 | 176.1 | 0 | 112.2 | G469 A473 Q474 F475 E984 | G469-K471 VanDerWaalsContact C-N 3.26Å; G469-K471 PolarHBondContact O-N 3.39Å; K471-A473 VanDerWaalsContact C-N 3.33Å; K471-Q474 PolarHBondContact O-N 2.86Å; K471-F475 PolarHBondContact O-N 2.74Å; K471-E984 WeakPolarHBondContact CD-OE2 3.45Å; K471-E984 VanDerWaalsContact CE-CD 3.43Å; K471-E984 WeakPolarHBondContact CE-OE2 3.11Å; K471-E984 IonicContact NZ-OE1 3.28Å; K471-E984 PolarHBondContact NZ-OE1 3.17Å; K471-E984 IonicContact NZ-OE2 3.45Å; K471-E984 PolarHBondContact NZ-OE2 2.74Å |
| 472 | K | 93.7 | Very high | 93.3 | Very high | 32 Ų | 32 | 33 Ų | 33 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.9 | -173.2 | 72.5 | 176.8 | -153.7 | 0 | 110 | N433 C467 G469 Q474 F475 I476 D543 E544 | N433-K472 PolarHBondContact O-NZ 3.07Å; C467-K472 HydrophobicContact CB-CB 4Å; C467-K472 HydrophobicContact CB-CG 3.92Å; G469-K472 PolarHBondContact O-N 2.95Å; K472-Q474 VanDerWaalsContact C-N 3.35Å; K472-Q474 PolarHBondContact O-N 2.89Å; K472-F475 HydrophobicContact CD-CD1 4.47Å; K472-F475 WeakPolarHBondContact O-CB 3.39Å; K472-F475 PolarHBondContact O-N 2.83Å; K472-I476 WeakPolarHBondContact O-CG1 3.33Å; K472-I476 PolarHBondContact O-N 3.29Å; K472-D543 WeakPolarHBondContact CE-OD2 3.33Å; K472-D543 WeakPolarHBondContact CG-OD2 3.43Å; K472-E544 VanDerWaalsContact CE-OE1 3.28Å; K472-E544 WeakPolarHBondContact CE-OE1 3.41Å; K472-E544 IonicContact NZ-OE1 2.7Å; K472-E544 PolarHBondContact NZ-OE1 3.29Å |
| 473 | A | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | C467 G469 W470 K471 I476 F477 L494 V517 | C467-A473 HydrophobicContact CB-CB 4.06Å; G469-A473 PolarHBondContact O-N 3.43Å; G469-A473 VanDerWaalsContact O-N 3.13Å; W470-A473 PolarHBondContact O-N 2.87Å; K471-A473 VanDerWaalsContact C-N 3.33Å; A473-I476 PolarHBondContact O-N 3.36Å; A473-F477 WeakPolarHBondContact O-CB 3.46Å; A473-F477 PolarHBondContact O-N 3.02Å; A473-L494 HydrophobicContact CB-CD1 3.65Å; A473-V517 HydrophobicContact CB-CG1 3.92Å; A473-V517 WeakPolarHBondContact O-CG1 3.47Å |
| 474 | Q | 95 | Very high | 91.2 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.3 | 179.8 | 68.5 | 40.9 | 0 | 0 | 111.6 | W470 K471 K472 F477 E478 L494 | W470-Q474 WeakPolarHBondContact O-CB 3.36Å; W470-Q474 PolarHBondContact O-N 3.48Å; K471-Q474 PolarHBondContact O-N 2.86Å; K472-Q474 VanDerWaalsContact C-N 3.35Å; K472-Q474 PolarHBondContact O-N 2.89Å; Q474-F477 WeakPolarHBondContact O-CB 3.48Å; Q474-F477 PolarHBondContact O-N 3.02Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.33Å; Q474-E478 PolarHBondContact NE2-OE1 2.82Å; Q474-E478 WeakPolarHBondContact O-CG 3.22Å; Q474-E478 PolarHBondContact O-N 2.68Å; Q474-L494 HydrophobicContact CB-CD2 4.29Å |
| 475 | F | 94.6 | Very high | 89.6 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.9 | 170.9 | -115.1 | 0 | 0 | 0 | 112.5 | P435 K471 K472 F477 E478 L479 | P435-F475 HydrophobicContact CG-CD1 4.35Å; P435-F475 HydrophobicContact CG-CE1 3.68Å; K471-F475 PolarHBondContact O-N 2.74Å; K472-F475 HydrophobicContact CD-CD1 4.47Å; K472-F475 WeakPolarHBondContact O-CB 3.39Å; K472-F475 PolarHBondContact O-N 2.83Å; F475-F477 VanDerWaalsContact C-N 3.3Å; F475-F477 PolarHBondContact O-N 3.08Å; F475-E478 PolarHBondContact O-N 3.18Å; F475-L479 WeakPolarHBondContact O-CB 3.31Å; F475-L479 PolarHBondContact O-N 3.46Å |
| 476 | I | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.3 | -62.2 | -56.4 | 0 | 0 | 0 | 111.2 | P435 Y438 I465 K472 A473 L479 L480 V517 | P435-I476 HydrophobicContact CB-CD1 3.42Å; P435-I476 VanDerWaalsContact CB-CD1 3.42Å; P435-I476 HydrophobicContact CG-CD1 3.19Å; Y438-I476 WeakPolarHBondContact OH-CD1 3.43Å; I465-I476 HydrophobicContact CD1-CG2 3.98Å; I465-I476 HydrophobicContact CG2-CG2 4.37Å; K472-I476 WeakPolarHBondContact O-CG1 3.33Å; K472-I476 PolarHBondContact O-N 3.29Å; A473-I476 PolarHBondContact O-N 3.36Å; I476-L479 PolarHBondContact O-N 3.42Å; I476-L480 HydrophobicContact CG2-CD1 4.17Å; I476-L480 HydrophobicContact CG2-CG 4.46Å; I476-L480 WeakPolarHBondContact O-CB 3.33Å; I476-L480 WeakPolarHBondContact O-CG 3.37Å; I476-L480 PolarHBondContact O-N 2.78Å; I476-V517 HydrophobicContact CB-CG1 4.01Å; I476-V517 HydrophobicContact CG2-CG1 4.04Å; I476-V517 HydrophobicContact CG2-CG2 4.05Å |
| 477 | F | 95 | Very high | 86.3 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 178.2 | 174.8 | -101.4 | 0 | 0 | 0 | 112.5 | A473 Q474 F475 L480 G481 P492 L494 | A473-F477 WeakPolarHBondContact O-CB 3.46Å; A473-F477 PolarHBondContact O-N 3.02Å; Q474-F477 WeakPolarHBondContact O-CB 3.48Å; Q474-F477 PolarHBondContact O-N 3.02Å; F475-F477 VanDerWaalsContact C-N 3.3Å; F475-F477 PolarHBondContact O-N 3.08Å; F477-L480 WeakPolarHBondContact O-CB 3.48Å; F477-L480 PolarHBondContact O-N 3.07Å; F477-G481 PolarHBondContact O-N 3.05Å; F477-P492 HydrophobicContact CD2-CB 4.27Å; F477-P492 HydrophobicContact CE2-CB 4.24Å; F477-P492 HydrophobicContact CE2-CG 4.28Å; F477-L494 HydrophobicContact CB-CB 4.09Å; F477-L494 HydrophobicContact CB-CD1 4.4Å; F477-L494 HydrophobicContact CD1-CB 4.14Å; F477-L494 HydrophobicContact CD1-CD2 4.45Å; F477-L494 HydrophobicContact CD2-CB 3.75Å; F477-L494 HydrophobicContact CE2-CB 4.2Å; F477-L494 HydrophobicContact CG-CB 3.71Å |
| 478 | E | 93.1 | Very high | 85.2 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 173.9 | -72.4 | 169.9 | -171.9 | 0 | 0 | 111.2 | Q474 F475 L480 G481 D482 | Q474-E478 WeakPolarHBondContact CG-OE1 3.33Å; Q474-E478 PolarHBondContact NE2-OE1 2.82Å; Q474-E478 WeakPolarHBondContact O-CG 3.22Å; Q474-E478 PolarHBondContact O-N 2.68Å; F475-E478 PolarHBondContact O-N 3.18Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 2.89Å; E478-G481 WeakPolarHBondContact O-CA 3.41Å; E478-G481 PolarHBondContact O-N 2.89Å; E478-D482 PolarHBondContact O-N 2.93Å |
| 479 | L | 90.9 | Very high | 84.3 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 178.1 | -171.1 | 64.1 | 0 | 0 | 0 | 112.7 | P435 L439 F475 I476 G481 D482 Y483 | P435-L479 HydrophobicContact CB-CD2 3.82Å; P435-L479 HydrophobicContact CG-CD2 4.06Å; L439-L479 HydrophobicContact CD2-CD2 3.68Å; L439-L479 HydrophobicContact CD2-CG 3.89Å; F475-L479 WeakPolarHBondContact O-CB 3.31Å; F475-L479 PolarHBondContact O-N 3.46Å; I476-L479 PolarHBondContact O-N 3.42Å; L479-G481 VanDerWaalsContact C-N 3.25Å; L479-G481 PolarHBondContact O-N 3.21Å; L479-D482 PolarHBondContact O-N 3.47Å; L479-Y483 HydrophobicContact CD1-CD2 4.18Å; L479-Y483 HydrophobicContact CD1-CE2 3.4Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.4Å; L479-Y483 HydrophobicContact CD2-CE2 4.22Å; L479-Y483 HydrophobicContact CG-CD2 4.01Å; L479-Y483 HydrophobicContact CG-CE2 3.55Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.15Å |
| 480 | L | 90.7 | Very high | 83.9 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -34 | 172.3 | -79.8 | 168.5 | 0 | 0 | 0 | 112.1 | L439 L443 I465 I476 F477 E478 Y483 S484 P492 V515 V517 | L439-L480 HydrophobicContact CD1-CD2 3.64Å; L439-L480 HydrophobicContact CD1-CG 4.24Å; L439-L480 HydrophobicContact CD2-CD2 4.38Å; L439-L480 HydrophobicContact CG-CD2 4.35Å; L443-L480 HydrophobicContact CD1-CD2 4.5Å; L443-L480 HydrophobicContact CD2-CD2 3.74Å; I465-L480 HydrophobicContact CD1-CD1 4.31Å; I476-L480 HydrophobicContact CG2-CD1 4.17Å; I476-L480 HydrophobicContact CG2-CG 4.46Å; I476-L480 WeakPolarHBondContact O-CB 3.33Å; I476-L480 WeakPolarHBondContact O-CG 3.37Å; I476-L480 PolarHBondContact O-N 2.78Å; F477-L480 WeakPolarHBondContact O-CB 3.48Å; F477-L480 PolarHBondContact O-N 3.07Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 2.89Å; L480-Y483 PolarHBondContact O-N 3.07Å; L480-S484 WeakPolarHBondContact O-CB 3.34Å; L480-S484 PolarHBondContact O-N 3.35Å; L480-S484 VanDerWaalsContact O-N 3.15Å; L480-P492 HydrophobicContact CB-CB 4.21Å; L480-P492 HydrophobicContact CB-CG 4.19Å; L480-P492 HydrophobicContact CD1-CB 3.89Å; L480-V515 HydrophobicContact CD1-CG1 4.02Å; L480-V517 HydrophobicContact CD1-CG2 3.49Å; L480-V517 VanDerWaalsContact CD1-CG2 3.49Å |
| 481 | G | 85.1 | Confident | 83.6 | Confident | 33 Ų | 33 | 59 Ų | 59 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F477 E478 L479 Y483 S484 | F477-G481 PolarHBondContact O-N 3.05Å; E478-G481 WeakPolarHBondContact O-CA 3.41Å; E478-G481 PolarHBondContact O-N 2.89Å; L479-G481 VanDerWaalsContact C-N 3.25Å; L479-G481 PolarHBondContact O-N 3.21Å; G481-Y483 VanDerWaalsContact C-N 3.29Å; G481-Y483 PolarHBondContact O-N 3.16Å; G481-S484 WeakPolarHBondContact O-CB 3.41Å; G481-S484 PolarHBondContact O-N 2.94Å; G481-S484 PolarHBondContact O-OG 3.33Å |
| 482 | D | 82.1 | Confident | 83.6 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -32.8 | -179.7 | -67.1 | -19.6 | 0 | 0 | 0 | 112.9 | E478 L479 | E478-D482 PolarHBondContact O-N 2.93Å; L479-D482 PolarHBondContact O-N 3.47Å |
| 483 | Y | 77.3 | Confident | 83.6 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.6 | 179.6 | -60.9 | -58.1 | 0 | 0 | 0 | 114.4 | L396 A399 L400 L436 L439 L443 L479 L480 G481 M485 | L396-Y483 HydrophobicContact CD1-CD1 4.04Å; L396-Y483 HydrophobicContact CD1-CG 4.34Å; A399-Y483 HydrophobicContact CB-CD1 4.44Å; L400-Y483 HydrophobicContact CD2-CE1 3.87Å; L436-Y483 HydrophobicContact CD2-CE2 4.29Å; L436-Y483 WeakPolarHBondContact CD2-OH 3.39Å; L439-Y483 HydrophobicContact CD2-CD2 4.13Å; L439-Y483 HydrophobicContact CD2-CE2 4.36Å; L443-Y483 HydrophobicContact CD1-CD2 4.45Å; L443-Y483 HydrophobicContact CD1-CG 4.32Å; L479-Y483 HydrophobicContact CD1-CD2 4.18Å; L479-Y483 HydrophobicContact CD1-CE2 3.4Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.4Å; L479-Y483 HydrophobicContact CD2-CE2 4.22Å; L479-Y483 HydrophobicContact CG-CD2 4.01Å; L479-Y483 HydrophobicContact CG-CE2 3.55Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.15Å; L480-Y483 PolarHBondContact O-N 3.07Å; G481-Y483 VanDerWaalsContact C-N 3.29Å; G481-Y483 PolarHBondContact O-N 3.16Å; Y483-M485 VanDerWaalsContact C-N 3.26Å; Y483-M485 PolarHBondContact O-N 2.78Å |
| 484 | S | 64.9 | Low | 83.6 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -74.9 | -7.6 | -175.8 | 73.6 | 0 | 0 | 0 | 0 | 115 | L480 G481 S486 | L480-S484 WeakPolarHBondContact O-CB 3.34Å; L480-S484 PolarHBondContact O-N 3.35Å; L480-S484 VanDerWaalsContact O-N 3.15Å; G481-S484 WeakPolarHBondContact O-CB 3.41Å; G481-S484 PolarHBondContact O-N 2.94Å; G481-S484 PolarHBondContact O-OG 3.33Å; S484-S486 PolarHBondContact O-N 3.45Å | ||
| 485 | M | 63.8 | Low | 83.5 | Confident | 143 Ų | 143 | 54.8 Ų | 54.8 | 70% | 0.704 | 29% | 0.294 | S | S | * | . | trans | -78.3 | 62.9 | -178.4 | -60.5 | -64.4 | 152.3 | 0 | 0 | 112.3 | Y483 | Y483-M485 VanDerWaalsContact C-N 3.26Å; Y483-M485 PolarHBondContact O-N 2.78Å | ||
| 486 | S | 64.6 | Low | 83.2 | Confident | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -119.5 | 161.5 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | D395 Q447 S484 R488 | D395-S486 PolarHBondContact OD2-OG 3.35Å; Q447-S486 PolarHBondContact NE2-OG 3.4Å; S484-S486 PolarHBondContact O-N 3.45Å; S486-R488 PolarHBondContact O-N 3.27Å; S486-R488 VanDerWaalsContact O-N 3.11Å |
| 487 | S | 62.3 | Low | 82.9 | Confident | 109 Ų | 109 | 52.4 Ų | 52.4 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -50.4 | -26.7 | 172.2 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | D395 | D395-S487 VanDerWaalsContact OD2-CB 3.25Å; D395-S487 WeakPolarHBondContact OD2-CB 3.46Å; D395-S487 PolarHBondContact OD2-N 3.45Å; D395-S487 PolarHBondContact OD2-OG 2.91Å |
| 488 | R | 73.6 | Confident | 82.5 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -120.2 | 99.3 | 169 | -171.3 | 176.2 | 178.9 | -148.1 | -4 | 109.8 | L446 Q447 S486 L490 | L446-R488 PolarHBondContact O-NH1 3.17Å; Q447-R488 WeakPolarHBondContact O-CD 3.44Å; Q447-R488 PolarHBondContact O-NH1 3.4Å; S486-R488 PolarHBondContact O-N 3.27Å; S486-R488 VanDerWaalsContact O-N 3.11Å; R488-L490 PolarHBondContact O-N 3.31Å |
| 489 | P | 74.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | trans | -65.6 | 133.2 | -179.7 | 26.4 | -32.5 | 0 | 0 | 0 | 109.8 | ||||
| 490 | L | 84.1 | Confident | 82.1 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | trans | -96.1 | 146.4 | 171.8 | -63.8 | 171.2 | 0 | 0 | 0 | 108.5 | L443 L446 Q447 R488 P492 D514 | L443-L490 HydrophobicContact CD2-CD1 3.54Å; L446-L490 HydrophobicContact CB-CD1 4.03Å; L446-L490 HydrophobicContact CB-CD2 4.16Å; L446-L490 HydrophobicContact CD1-CD1 4.25Å; Q447-L490 HydrophobicContact CG-CD1 4.48Å; R488-L490 PolarHBondContact O-N 3.31Å; L490-P492 WeakPolarHBondContact O-CD 3.46Å; L490-D514 HydrophobicContact CD2-CB 4.11Å | ||
| 491 | H | 88.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | trans | -107.4 | 89.2 | 176.1 | -59.9 | -69.2 | 0 | 0 | 0 | 110.8 | G512 D514 | H491-G512 WeakPolarHBondContact CB-O 3.44Å; H491-G512 PolarHBondContact CD2-O 2.94Å; H491-D514 PolarHBondContact N-OD2 3.25Å; H491-D514 PolarHBondContact O-N 2.71Å | ||
| 492 | P | 91.8 | Very high | 81.6 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 20% | 0.195 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 148.1 | 174.1 | 32.2 | -35.8 | 0 | 0 | 0 | 111.2 | F477 L480 L490 V515 | F477-P492 HydrophobicContact CD2-CB 4.27Å; F477-P492 HydrophobicContact CE2-CB 4.24Å; F477-P492 HydrophobicContact CE2-CG 4.28Å; L480-P492 HydrophobicContact CB-CB 4.21Å; L480-P492 HydrophobicContact CB-CG 4.19Å; L480-P492 HydrophobicContact CD1-CB 3.89Å; L490-P492 WeakPolarHBondContact O-CD 3.46Å; P492-V515 CarbonylContact C-O 3.55Å; P492-V515 VanDerWaalsContact CA-O 3.27Å; P492-V515 WeakPolarHBondContact CA-O 3.2Å; P492-V515 HydrophobicContact CB-CB 4.28Å |
| 493 | V | 93.8 | Very high | 81.8 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.7 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | L495 P510 C513 V515 I516 V517 | V493-L495 HydrophobicContact CG1-CD2 3.56Å; V493-L495 HydrophobicContact CG1-CG 4.03Å; V493-P510 HydrophobicContact CG2-CG 4.03Å; V493-C513 HydrophobicContact CG2-CB 4.16Å; V493-C513 VanDerWaalsContact CG2-SG 3.56Å; V493-V515 PolarHBondContact N-O 3.4Å; V493-I516 WeakPolarHBondContact O-CA 3.24Å; V493-V517 PolarHBondContact O-N 3.4Å |
| 494 | L | 94.6 | Very high | 82 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.2 | 170.6 | 177.2 | 65.3 | 0 | 0 | 0 | 110.3 | A473 Q474 F477 T496 V517 | A473-L494 HydrophobicContact CB-CD1 3.65Å; Q474-L494 HydrophobicContact CB-CD2 4.29Å; F477-L494 HydrophobicContact CB-CB 4.09Å; F477-L494 HydrophobicContact CB-CD1 4.4Å; F477-L494 HydrophobicContact CD1-CB 4.14Å; F477-L494 HydrophobicContact CD1-CD2 4.45Å; F477-L494 HydrophobicContact CD2-CB 3.75Å; F477-L494 HydrophobicContact CE2-CB 4.2Å; F477-L494 HydrophobicContact CG-CB 3.71Å; L494-T496 HydrophobicContact CD1-CG2 4.32Å; L494-V517 WeakPolarHBondContact CA-O 3.41Å; L494-V517 HydrophobicContact CD1-CB 4.29Å; L494-V517 HydrophobicContact CD1-CG1 4.45Å |
| 495 | L | 92.9 | Very high | 82.9 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.6 | 177.7 | -61.1 | -175.6 | 0 | 0 | 0 | 110.9 | V493 M507 L509 I516 V517 T518 L526 | V493-L495 HydrophobicContact CG1-CD2 3.56Å; V493-L495 HydrophobicContact CG1-CG 4.03Å; L495-M507 HydrophobicContact CD1-CE 3.53Å; L495-M507 HydrophobicContact CD2-CE 3.31Å; L495-M507 HydrophobicContact CG-CE 4.08Å; L495-L509 HydrophobicContact CD1-CD2 4.26Å; L495-I516 HydrophobicContact CB-CG2 4.37Å; L495-I516 HydrophobicContact CD1-CD1 3.91Å; L495-I516 HydrophobicContact CD1-CG1 4.26Å; L495-I516 HydrophobicContact CD1-CG2 3.75Å; L495-I516 HydrophobicContact CG-CG2 4.06Å; L495-V517 PolarHBondContact N-O 2.84Å; L495-T518 WeakPolarHBondContact O-CA 3.39Å; L495-T518 WeakPolarHBondContact O-CB 3.38Å; L495-T518 PolarHBondContact O-OG1 2.84Å; L495-L526 HydrophobicContact CB-CD1 4.41Å; L495-L526 HydrophobicContact CD1-CD1 3.69Å |
| 496 | T | 90 | Very high | 83.8 | Confident | 37 Ų | 37 | 59 Ų | 59 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | trans | -128.1 | 112.2 | 169.3 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | W470 L494 | W470-T496 HydrophobicContact CB-CG2 3.99Å; L494-T496 HydrophobicContact CD1-CG2 4.32Å | ||
| 497 | I | 87.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | trans | -116.5 | 145.4 | -172.6 | -59.4 | -177.1 | 0 | 0 | 0 | 108.1 | E503 A504 M507 S522 R525 L526 | I497-E503 HydrophobicContact CG2-CB 4.33Å; I497-E503 HydrophobicContact CG2-CG 4.06Å; I497-A504 HydrophobicContact CG2-CB 4.06Å; I497-M507 HydrophobicContact CD1-CB 4.44Å; I497-M507 HydrophobicContact CD1-CG 4.18Å; I497-S522 PolarHBondContact N-OG 3.43Å; I497-S522 VanDerWaalsContact N-OG 3.11Å; I497-R525 PolarHBondContact O-NH1 2.95Å; I497-R525 PolarHBondContact O-NH2 3.23Å; I497-L526 HydrophobicContact CD1-CD1 3.8Å; I497-L526 HydrophobicContact CD1-CD2 3.33Å; I497-L526 HydrophobicContact CD1-CG 3.56Å | ||
| 498 | G | 86.7 | Confident | 85.7 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | trans | -83.6 | -169.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H500 E503 R525 G1045 M1046 | G498-H500 PolarHBondContact O-N 2.93Å; G498-E503 PolarHBondContact N-OE2 3.47Å; G498-R525 PolarHBondContact O-NH1 3.42Å; G498-G1045 CarbonylContact C-O 3.36Å; G498-G1045 WeakPolarHBondContact CA-O 3.5Å; G498-M1046 VanDerWaalsContact CA-SD 3.51Å | ||
| 499 | L | 88.4 | Confident | 86.2 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74.2 | -13.1 | 178.1 | -60.9 | 175.6 | 0 | 0 | 0 | 113.2 | K501 A979 G1045 I1048 | L499-K501 PolarHBondContact O-N 3.16Å; L499-A979 HydrophobicContact CD1-CB 3.78Å; L499-A979 HydrophobicContact CD2-CB 4.33Å; L499-A979 HydrophobicContact CG-CB 3.97Å; L499-G1045 WeakPolarHBondContact CB-O 3.38Å; L499-G1045 WeakPolarHBondContact CG-O 3.26Å; L499-G1045 PolarHBondContact N-O 3.06Å; L499-I1048 HydrophobicContact CD1-CG2 3.34Å |
| 500 | H | 86.8 | Confident | 86.7 | Confident | 80 Ų | 80 | 60 Ų | 60 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | trans | -66.2 | 117.1 | -179.4 | -72.9 | -42.6 | 0 | 0 | 0 | 111.7 | G498 D502 E503 A504 S1043 M1044 G1045 | G498-H500 PolarHBondContact O-N 2.93Å; H500-D502 PolarHBondContact O-N 3.41Å; H500-E503 HydrophobicContact CB-CB 4.08Å; H500-E503 PolarHBondContact O-N 3.24Å; H500-A504 PolarHBondContact O-N 2.82Å; H500-S1043 PolarHBondContact NE2-O 2.82Å; H500-M1044 PolarHBondContact CD2-O 2.86Å; H500-G1045 VanDerWaalsContact CD2-CA 3.5Å; H500-G1045 WeakPolarHBondContact CD2-CA 3.29Å; H500-G1045 VanDerWaalsContact NE2-CA 3.34Å; H500-G1045 WeakPolarHBondContact NE2-CA 3.44Å; H500-G1045 PolarHBondContact NE2-N 3.15Å; H500-G1045 VanDerWaalsContact NE2-N 3.11Å | ||
| 501 | K | 83.3 | Confident | 86.4 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 55% | 0.548 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | -178.7 | -54.9 | -166.3 | 174.8 | 175.1 | 0 | 111.9 | L499 A504 K505 Y529 | L499-K501 PolarHBondContact O-N 3.16Å; K501-A504 PolarHBondContact O-N 2.87Å; K501-K505 WeakPolarHBondContact O-CB 3.2Å; K501-K505 VanDerWaalsContact O-CG 3.29Å; K501-K505 WeakPolarHBondContact O-CG 3.44Å; K501-K505 PolarHBondContact O-N 3.32Å; K501-Y529 HydrophobicContact CB-CE1 4.49Å; K501-Y529 WeakPolarHBondContact CD-OH 3.41Å; K501-Y529 VanDerWaalsContact CG-OH 3.26Å; K501-Y529 WeakPolarHBondContact CG-OH 3.31Å |
| 502 | D | 83.6 | Confident | 85.9 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71 | -31.6 | -177.5 | -62 | -28.7 | 0 | 0 | 0 | 112.2 | H500 N506 | H500-D502 PolarHBondContact O-N 3.41Å; D502-N506 WeakPolarHBondContact O-CB 3.4Å; D502-N506 VanDerWaalsContact O-CG 3.28Å; D502-N506 PolarHBondContact O-N 3.15Å; D502-N506 PolarHBondContact O-ND2 3.26Å |
| 503 | E | 84.7 | Confident | 85.7 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.1 | -170.8 | 180 | -150.6 | 0 | 0 | 110.2 | I497 G498 H500 M507 K988 | I497-E503 HydrophobicContact CG2-CB 4.33Å; I497-E503 HydrophobicContact CG2-CG 4.06Å; G498-E503 PolarHBondContact N-OE2 3.47Å; H500-E503 HydrophobicContact CB-CB 4.08Å; H500-E503 PolarHBondContact O-N 3.24Å; E503-M507 WeakPolarHBondContact O-CB 3.19Å; E503-M507 PolarHBondContact O-N 3.4Å; E503-K988 IonicContact OE1-NZ 3.65Å; E503-K988 PolarHBondContact OE1-NZ 2.88Å |
| 504 | A | 81.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I497 H500 K501 M507 Y529 S531 | I497-A504 HydrophobicContact CG2-CB 4.06Å; H500-A504 PolarHBondContact O-N 2.82Å; K501-A504 PolarHBondContact O-N 2.87Å; A504-M507 WeakPolarHBondContact O-CB 3.37Å; A504-M507 PolarHBondContact O-N 3.22Å; A504-Y529 HydrophobicContact CB-CD2 3.52Å; A504-Y529 HydrophobicContact CB-CE2 4.03Å; A504-Y529 HydrophobicContact CB-CG 4.41Å; A504-S531 VanDerWaalsContact O-CB 3.26Å; A504-S531 WeakPolarHBondContact O-CB 3.31Å; A504-S531 PolarHBondContact O-OG 3.12Å |
| 505 | K | 83.4 | Confident | 85.5 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 48% | 0.478 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | -178.6 | -75.3 | 176.2 | 179.1 | -177.4 | 0 | 113.6 | K501 M507 Y529 | K501-K505 WeakPolarHBondContact O-CB 3.2Å; K501-K505 VanDerWaalsContact O-CG 3.29Å; K501-K505 WeakPolarHBondContact O-CG 3.44Å; K501-K505 PolarHBondContact O-N 3.32Å; K505-M507 VanDerWaalsContact C-N 3.31Å; K505-Y529 HydrophobicContact CD-CD1 4.28Å; K505-Y529 HydrophobicContact CG-CD1 3.76Å; K505-Y529 HydrophobicContact CG-CE1 4.47Å; K505-Y529 HydrophobicContact CG-CG 3.86Å |
| 506 | N | 84.1 | Confident | 85.6 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1 | -177.3 | -63.1 | -44.4 | 0 | 0 | 0 | 112.9 | D502 K508 | D502-N506 WeakPolarHBondContact O-CB 3.4Å; D502-N506 VanDerWaalsContact O-CG 3.28Å; D502-N506 PolarHBondContact O-N 3.15Å; D502-N506 PolarHBondContact O-ND2 3.26Å; N506-K508 PolarHBondContact O-N 3.24Å |
| 507 | M | 84.6 | Confident | 86 | Confident | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | trans | -62.1 | 125.4 | 176 | -174.5 | -79.9 | 179.2 | 0 | 0 | 110.1 | L495 I497 E503 A504 K505 L509 L526 | L495-M507 HydrophobicContact CD1-CE 3.53Å; L495-M507 HydrophobicContact CD2-CE 3.31Å; L495-M507 HydrophobicContact CG-CE 4.08Å; I497-M507 HydrophobicContact CD1-CB 4.44Å; I497-M507 HydrophobicContact CD1-CG 4.18Å; E503-M507 WeakPolarHBondContact O-CB 3.19Å; E503-M507 PolarHBondContact O-N 3.4Å; A504-M507 WeakPolarHBondContact O-CB 3.37Å; A504-M507 PolarHBondContact O-N 3.22Å; K505-M507 VanDerWaalsContact C-N 3.31Å; M507-L509 HydrophobicContact CE-CD2 3.64Å; M507-L509 HydrophobicContact CE-CG 3.99Å; M507-L509 HydrophobicContact SD-CG 4.27Å; M507-L526 HydrophobicContact CB-CD2 4.15Å; M507-L526 HydrophobicContact CG-CD2 4.08Å; M507-L526 HydrophobicContact SD-CD2 4.13Å | ||
| 508 | K | 82.6 | Confident | 86.4 | Confident | 183 Ų | 183 | 60.5 Ų | 60.5 | 80% | 0.796 | 29% | 0.293 | S | S | * | . | trans | -116.9 | 126.2 | 174.3 | -67.2 | -179.9 | -177.4 | 177 | 0 | 109.3 | N506 | N506-K508 PolarHBondContact O-N 3.24Š| ||
| 509 | L | 84 | Confident | 86.8 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 135.3 | 171.9 | -76.1 | 168 | 0 | 0 | 0 | 110.7 | L495 M507 C513 I516 L532 | L495-L509 HydrophobicContact CD1-CD2 4.26Å; M507-L509 HydrophobicContact CE-CD2 3.64Å; M507-L509 HydrophobicContact CE-CG 3.99Å; M507-L509 HydrophobicContact SD-CG 4.27Å; L509-C513 HydrophobicContact CD2-CB 4.44Å; L509-I516 HydrophobicContact CD2-CD1 3.67Å; L509-I516 HydrophobicContact CD2-CG1 4.38Å; L509-L532 HydrophobicContact CD1-CD1 3.58Å |
| 510 | P | 82.9 | Confident | 87.2 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 145.4 | 167.3 | -23.8 | 34 | 0 | 0 | 0 | 111.3 | V493 G512 C513 | V493-P510 HydrophobicContact CG2-CG 4.03Å; P510-G512 PolarHBondContact O-N 2.84Å; P510-C513 WeakPolarHBondContact O-CB 3.43Å; P510-C513 PolarHBondContact O-N 3.43Å |
| 511 | R | 79.4 | Confident | 87.6 | Confident | 226 Ų | 226 | 54.8 Ų | 54.8 | 85% | 0.853 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 135.4 | 173.4 | -61.2 | -171.5 | -150.3 | -135.7 | 5.8 | 108.9 | ||
| 512 | G | 76.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 49 Ų | 49 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 15.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H491 P510 D514 | H491-G512 WeakPolarHBondContact CB-O 3.44Å; H491-G512 PolarHBondContact CD2-O 2.94Å; P510-G512 PolarHBondContact O-N 2.84Å; G512-D514 PolarHBondContact O-N 2.78Å; G512-D514 VanDerWaalsContact O-N 3.13Å |
| 513 | C | 87.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | trans | -61 | 113.4 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | G460 P461 V493 L509 P510 | G460-C513 CarbonylContact C-O 3.45Å; G460-C513 VanDerWaalsContact O-O 3.09Å; P461-C513 WeakPolarHBondContact CA-O 2.85Å; V493-C513 HydrophobicContact CG2-CB 4.16Å; V493-C513 VanDerWaalsContact CG2-SG 3.56Å; L509-C513 HydrophobicContact CD2-CB 4.44Å; P510-C513 WeakPolarHBondContact O-CB 3.43Å; P510-C513 PolarHBondContact O-N 3.43Å | ||
| 514 | D | 89.5 | Confident | 89.2 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | trans | -100.6 | -33.1 | -178.5 | -64.6 | -55.3 | 0 | 0 | 0 | 112.4 | L462 A463 L490 H491 G512 | L462-D514 PolarHBondContact N-O 3.49Å; A463-D514 PolarHBondContact N-O 3.11Å; L490-D514 HydrophobicContact CD2-CB 4.11Å; H491-D514 PolarHBondContact N-OD2 3.25Å; H491-D514 PolarHBondContact O-N 2.71Å; G512-D514 PolarHBondContact O-N 2.78Å; G512-D514 VanDerWaalsContact O-N 3.13Å | ||
| 515 | V | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131 | -177.4 | -175 | 0 | 0 | 0 | 0 | 109.4 | L446 A463 I465 L480 P492 V493 | L446-V515 HydrophobicContact CD1-CG2 3.76Å; A463-V515 HydrophobicContact CB-CG1 4.48Å; A463-V515 HydrophobicContact CB-CG2 4.4Å; A463-V515 WeakPolarHBondContact O-CA 3.31Å; I465-V515 HydrophobicContact CD1-CG1 4.13Å; I465-V515 HydrophobicContact CG1-CG1 4.44Å; L480-V515 HydrophobicContact CD1-CG1 4.02Å; P492-V515 CarbonylContact C-O 3.55Å; P492-V515 VanDerWaalsContact CA-O 3.27Å; P492-V515 WeakPolarHBondContact CA-O 3.2Å; P492-V515 HydrophobicContact CB-CB 4.28Å; V493-V515 PolarHBondContact N-O 3.4Å |
| 516 | I | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.3 | 170 | -69.8 | 174.8 | 0 | 0 | 0 | 108.7 | P461 A463 V464 I465 V493 L495 L509 T518 L532 | P461-I516 HydrophobicContact CB-CD1 3.94Å; P461-I516 HydrophobicContact CB-CG1 3.96Å; P461-I516 HydrophobicContact CG-CD1 3.69Å; P461-I516 HydrophobicContact CG-CG1 4.26Å; A463-I516 PolarHBondContact O-N 3.36Å; V464-I516 CarbonylContact C-O 3.59Å; V464-I516 WeakPolarHBondContact CA-O 3.3Å; V464-I516 HydrophobicContact CG2-CB 4.24Å; I465-I516 PolarHBondContact N-O 2.98Å; V493-I516 WeakPolarHBondContact O-CA 3.24Å; L495-I516 HydrophobicContact CB-CG2 4.37Å; L495-I516 HydrophobicContact CD1-CD1 3.91Å; L495-I516 HydrophobicContact CD1-CG1 4.26Å; L495-I516 HydrophobicContact CD1-CG2 3.75Å; L495-I516 HydrophobicContact CG-CG2 4.06Å; L509-I516 HydrophobicContact CD2-CD1 3.67Å; L509-I516 HydrophobicContact CD2-CG1 4.38Å; I516-T518 HydrophobicContact CG2-CG2 4.05Å; I516-L532 HydrophobicContact CD1-CD1 3.72Å; I516-L532 HydrophobicContact CD1-CD2 4.12Å |
| 517 | V | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.5 | 167.7 | -168.2 | 0 | 0 | 0 | 0 | 107.9 | I465 A473 I476 L480 V493 L494 L495 | I465-V517 HydrophobicContact CB-CG1 4.45Å; I465-V517 HydrophobicContact CB-CG2 4.48Å; I465-V517 HydrophobicContact CD1-CG2 4.38Å; I465-V517 WeakPolarHBondContact O-CA 3.45Å; A473-V517 HydrophobicContact CB-CG1 3.92Å; A473-V517 WeakPolarHBondContact O-CG1 3.47Å; I476-V517 HydrophobicContact CB-CG1 4.01Å; I476-V517 HydrophobicContact CG2-CG1 4.04Å; I476-V517 HydrophobicContact CG2-CG2 4.05Å; L480-V517 HydrophobicContact CD1-CG2 3.49Å; L480-V517 VanDerWaalsContact CD1-CG2 3.49Å; V493-V517 PolarHBondContact O-N 3.4Å; L494-V517 WeakPolarHBondContact CA-O 3.41Å; L494-V517 HydrophobicContact CD1-CB 4.29Å; L494-V517 HydrophobicContact CD1-CG1 4.45Å; L495-V517 PolarHBondContact N-O 2.84Å |
| 518 | T | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 177.6 | -172.2 | -165.7 | 0 | 0 | 0 | 0 | 112.6 | V464 I465 V466 C467 L495 I516 S522 L523 | V464-T518 HydrophobicContact CG1-CG2 4.24Å; I465-T518 PolarHBondContact O-N 3.42Å; V466-T518 WeakPolarHBondContact CA-O 3.14Å; C467-T518 PolarHBondContact N-O 2.94Å; L495-T518 WeakPolarHBondContact O-CA 3.39Å; L495-T518 WeakPolarHBondContact O-CB 3.38Å; L495-T518 PolarHBondContact O-OG1 2.84Å; I516-T518 HydrophobicContact CG2-CG2 4.05Å; T518-S522 WeakPolarHBondContact OG1-CB 3.23Å; T518-L523 HydrophobicContact CG2-CB 3.78Å; T518-L523 HydrophobicContact CG2-CD1 4.3Å; T518-L523 HydrophobicContact CG2-CD2 4.16Å; T518-L523 HydrophobicContact CG2-CG 4.31Å |
| 519 | T | 96.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -105.9 | 156.4 | 174.8 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | H521 S522 L523 | T519-H521 VanDerWaalsContact C-N 3.33Å; T519-H521 PolarHBondContact O-N 3.28Å; T519-S522 PolarHBondContact O-N 2.85Å; T519-S522 WeakPolarHBondContact OG1-CB 3.4Å; T519-S522 PolarHBondContact OG1-OG 2.9Å; T519-S522 VanDerWaalsContact OG1-OG 3.08Å; T519-L523 WeakPolarHBondContact O-CB 3.33Å; T519-L523 PolarHBondContact O-N 3.41Å | ||
| 520 | P | 96.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.3 | -47.9 | -179.6 | -28.3 | 33.1 | 0 | 0 | 0 | 113.2 | V466 C467 S522 L523 L524 L548 A552 Q555 M556 I559 | V466-P520 HydrophobicContact CG1-CB 4.39Å; V466-P520 HydrophobicContact CG1-CG 3.66Å; C467-P520 WeakPolarHBondContact O-CD 3.42Å; P520-S522 PolarHBondContact O-N 3.26Å; P520-L523 PolarHBondContact O-N 3.07Å; P520-L524 WeakPolarHBondContact O-CB 3.49Å; P520-L524 PolarHBondContact O-N 2.83Å; P520-L548 HydrophobicContact CG-CD2 3.82Å; P520-A552 HydrophobicContact CB-CB 3.73Å; P520-A552 HydrophobicContact CG-CB 3.96Å; P520-Q555 HydrophobicContact CB-CB 4.05Å; P520-M556 HydrophobicContact CB-SD 3.79Å; P520-M556 HydrophobicContact CG-SD 3.62Å; P520-I559 HydrophobicContact CB-CD1 4.18Å |
| 521 | H | 95.1 | Very high | 91.6 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | -179.5 | -65.7 | 92.4 | 0 | 0 | 0 | 112.5 | T519 R525 D980 | T519-H521 VanDerWaalsContact C-N 3.33Å; T519-H521 PolarHBondContact O-N 3.28Å; H521-R525 WeakPolarHBondContact O-CB 3.43Å; H521-R525 WeakPolarHBondContact O-CG 3.46Å; H521-R525 PolarHBondContact O-N 2.81Å; H521-R525 PolarHBondContact O-NE 3.25Å; H521-D980 HydrophobicContact CB-CB 3.87Å; H521-D980 VanDerWaalsContact CB-CG 3.42Å; H521-D980 WeakPolarHBondContact CB-OD2 3.49Å; H521-D980 IonicContact CD2-OD1 3.7Å; H521-D980 IonicContact CG-OD1 3.93Å; H521-D980 IonicContact CG-OD2 4Å |
| 522 | S | 94.2 | Very high | 92 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | I497 T518 T519 P520 R525 L526 | I497-S522 PolarHBondContact N-OG 3.43Å; I497-S522 VanDerWaalsContact N-OG 3.11Å; T518-S522 WeakPolarHBondContact OG1-CB 3.23Å; T519-S522 PolarHBondContact O-N 2.85Å; T519-S522 WeakPolarHBondContact OG1-CB 3.4Å; T519-S522 PolarHBondContact OG1-OG 2.9Å; T519-S522 VanDerWaalsContact OG1-OG 3.08Å; P520-S522 PolarHBondContact O-N 3.26Å; S522-R525 PolarHBondContact O-N 2.84Å; S522-L526 WeakPolarHBondContact O-CG 3.34Å; S522-L526 PolarHBondContact O-N 3.21Å |
| 523 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 179.1 | -176.8 | 53.2 | 0 | 0 | 0 | 111.7 | V464 V466 T518 T519 P520 R525 L526 L527 L532 F534 I559 | V464-L523 HydrophobicContact CG1-CD1 4.4Å; V464-L523 HydrophobicContact CG1-CD2 3.75Å; V466-L523 HydrophobicContact CG2-CD2 3.66Å; T518-L523 HydrophobicContact CG2-CB 3.78Å; T518-L523 HydrophobicContact CG2-CD1 4.3Å; T518-L523 HydrophobicContact CG2-CD2 4.16Å; T518-L523 HydrophobicContact CG2-CG 4.31Å; T519-L523 WeakPolarHBondContact O-CB 3.33Å; T519-L523 PolarHBondContact O-N 3.41Å; P520-L523 PolarHBondContact O-N 3.07Å; L523-R525 VanDerWaalsContact C-N 3.32Å; L523-R525 PolarHBondContact O-N 3.34Å; L523-L526 WeakPolarHBondContact O-CB 3.22Å; L523-L526 PolarHBondContact O-N 2.87Å; L523-L527 HydrophobicContact CD1-CD1 4.41Å; L523-L527 HydrophobicContact CD1-CG 4.38Å; L523-L527 HydrophobicContact CG-CD1 4.21Å; L523-L527 WeakPolarHBondContact O-CG 3.28Å; L523-L527 PolarHBondContact O-N 3.09Å; L523-L532 HydrophobicContact CD1-CD2 3.48Å; L523-L532 VanDerWaalsContact CD1-CD2 3.48Å; L523-F534 HydrophobicContact CD1-CE1 4.09Å; L523-F534 HydrophobicContact CD1-CZ 4.18Å; L523-F534 HydrophobicContact CD2-CZ 4.37Å; L523-F534 HydrophobicContact CG-CZ 4.49Å; L523-I559 HydrophobicContact CB-CD1 4.08Å; L523-I559 HydrophobicContact CD2-CD1 3.92Å; L523-I559 HydrophobicContact CD2-CG1 4.11Å; L523-I559 HydrophobicContact CD2-CG2 3.75Å; L523-I559 HydrophobicContact CG-CD1 4.11Å; L523-I559 HydrophobicContact CG-CG1 4.12Å; L523-I559 HydrophobicContact CG-CG2 4.48Å |
| 524 | L | 95 | Very high | 92.5 | Very high | 37 Ų | 37 | 30 Ų | 30 | 19% | 0.194 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 178.1 | -179 | 63.8 | 0 | 0 | 0 | 111.7 | P520 L526 L527 T528 Q555 A558 I559 | P520-L524 WeakPolarHBondContact O-CB 3.49Å; P520-L524 PolarHBondContact O-N 2.83Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.14Å; L524-L527 PolarHBondContact O-N 2.77Å; L524-T528 WeakPolarHBondContact O-CB 3.43Å; L524-T528 PolarHBondContact O-N 3.21Å; L524-T528 PolarHBondContact O-OG1 3.41Å; L524-Q555 HydrophobicContact CD2-CB 4.07Å; L524-Q555 HydrophobicContact CD2-CG 3.78Å; L524-A558 HydrophobicContact CD1-CB 3.61Å; L524-A558 HydrophobicContact CD2-CB 4.36Å; L524-I559 HydrophobicContact CB-CG1 4.46Å |
| 525 | R | 94.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 31 Ų | 31 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.5 | -76.5 | -175.3 | -89.8 | 99.7 | 0.8 | 111.2 | I497 G498 H521 S522 L523 T528 Y529 D980 | I497-R525 PolarHBondContact O-NH1 2.95Å; I497-R525 PolarHBondContact O-NH2 3.23Å; G498-R525 PolarHBondContact O-NH1 3.42Å; H521-R525 WeakPolarHBondContact O-CB 3.43Å; H521-R525 WeakPolarHBondContact O-CG 3.46Å; H521-R525 PolarHBondContact O-N 2.81Å; H521-R525 PolarHBondContact O-NE 3.25Å; S522-R525 PolarHBondContact O-N 2.84Å; L523-R525 VanDerWaalsContact C-N 3.32Å; L523-R525 PolarHBondContact O-N 3.34Å; R525-T528 PolarHBondContact O-N 2.65Å; R525-Y529 WeakPolarHBondContact O-CD2 3.37Å; R525-Y529 PolarHBondContact O-N 3.2Å; R525-Y529 VanDerWaalsContact O-N 3.09Å; R525-D980 IonicContact CZ-OD2 2.95Å; R525-D980 IonicContact NH2-OD2 3.71Å; R525-D980 PolarHBondContact NH2-OD2 3.12Å |
| 526 | L | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.4 | -75.6 | 169.8 | 0 | 0 | 0 | 113.3 | L495 I497 M507 S522 L523 L524 R530 S531 L532 | L495-L526 HydrophobicContact CB-CD1 4.41Å; L495-L526 HydrophobicContact CD1-CD1 3.69Å; I497-L526 HydrophobicContact CD1-CD1 3.8Å; I497-L526 HydrophobicContact CD1-CD2 3.33Å; I497-L526 HydrophobicContact CD1-CG 3.56Å; M507-L526 HydrophobicContact CB-CD2 4.15Å; M507-L526 HydrophobicContact CG-CD2 4.08Å; M507-L526 HydrophobicContact SD-CD2 4.13Å; S522-L526 WeakPolarHBondContact O-CG 3.34Å; S522-L526 PolarHBondContact O-N 3.21Å; L523-L526 WeakPolarHBondContact O-CB 3.22Å; L523-L526 PolarHBondContact O-N 2.87Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.14Å; L526-R530 PolarHBondContact O-N 3.09Å; L526-S531 PolarHBondContact O-N 3.42Å; L526-L532 HydrophobicContact CB-CB 3.87Å; L526-L532 PolarHBondContact O-N 2.86Å |
| 527 | L | 92.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 176.4 | -67.2 | 171.7 | 0 | 0 | 0 | 111.4 | L523 L524 Y529 R530 F534 I559 N562 | L523-L527 HydrophobicContact CD1-CD1 4.41Å; L523-L527 HydrophobicContact CD1-CG 4.38Å; L523-L527 HydrophobicContact CG-CD1 4.21Å; L523-L527 WeakPolarHBondContact O-CG 3.28Å; L523-L527 PolarHBondContact O-N 3.09Å; L524-L527 PolarHBondContact O-N 2.77Å; L527-Y529 VanDerWaalsContact C-N 3.35Å; L527-Y529 PolarHBondContact O-N 3.47Å; L527-R530 PolarHBondContact O-N 2.99Å; L527-F534 HydrophobicContact CD1-CE1 4.45Å; L527-F534 HydrophobicContact CD1-CE2 3.84Å; L527-F534 HydrophobicContact CD1-CZ 3.64Å; L527-F534 HydrophobicContact CD2-CD1 4.1Å; L527-F534 HydrophobicContact CD2-CD2 4.25Å; L527-F534 HydrophobicContact CD2-CE1 3.79Å; L527-F534 HydrophobicContact CD2-CE2 3.94Å; L527-F534 HydrophobicContact CD2-CG 4.35Å; L527-F534 HydrophobicContact CD2-CZ 3.72Å; L527-F534 HydrophobicContact CG-CZ 4.19Å; L527-I559 HydrophobicContact CD1-CG1 4.23Å; L527-N562 HydrophobicContact CD1-CB 4.11Å |
| 528 | T | 91.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 33 Ų | 33 | 56% | 0.558 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -60.8 | -42.6 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | L524 R525 R530 | L524-T528 WeakPolarHBondContact O-CB 3.43Å; L524-T528 PolarHBondContact O-N 3.21Å; L524-T528 PolarHBondContact O-OG1 3.41Å; R525-T528 PolarHBondContact O-N 2.65Å; T528-R530 VanDerWaalsContact C-N 3.28Å; T528-R530 PolarHBondContact O-N 3.48Å |
| 529 | Y | 89.7 | Confident | 91.4 | Very high | 72 Ų | 72 | 33 Ų | 33 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.8 | 177.4 | -65.8 | -61.3 | 0 | 0 | 0 | 114.1 | K501 A504 K505 R525 L527 S531 | K501-Y529 HydrophobicContact CB-CE1 4.49Å; K501-Y529 WeakPolarHBondContact CD-OH 3.41Å; K501-Y529 VanDerWaalsContact CG-OH 3.26Å; K501-Y529 WeakPolarHBondContact CG-OH 3.31Å; A504-Y529 HydrophobicContact CB-CD2 3.52Å; A504-Y529 HydrophobicContact CB-CE2 4.03Å; A504-Y529 HydrophobicContact CB-CG 4.41Å; K505-Y529 HydrophobicContact CD-CD1 4.28Å; K505-Y529 HydrophobicContact CG-CD1 3.76Å; K505-Y529 HydrophobicContact CG-CE1 4.47Å; K505-Y529 HydrophobicContact CG-CG 3.86Å; R525-Y529 WeakPolarHBondContact O-CD2 3.37Å; R525-Y529 PolarHBondContact O-N 3.2Å; R525-Y529 VanDerWaalsContact O-N 3.09Å; L527-Y529 VanDerWaalsContact C-N 3.35Å; L527-Y529 PolarHBondContact O-N 3.47Å; Y529-S531 PolarHBondContact O-N 3.25Å |
| 530 | R | 86.3 | Confident | 91.4 | Very high | 204 Ų | 204 | 32.8 Ų | 32.8 | 77% | 0.77 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 25.5 | -178.1 | -56 | -176.3 | 177.1 | -177.7 | -1.6 | 114 | L526 L527 T528 L532 L533 | L526-R530 PolarHBondContact O-N 3.09Å; L527-R530 PolarHBondContact O-N 2.99Å; T528-R530 VanDerWaalsContact C-N 3.28Å; T528-R530 PolarHBondContact O-N 3.48Å; R530-L532 VanDerWaalsContact C-N 3.34Å; R530-L533 HydrophobicContact CB-CD2 4.38Å |
| 531 | S | 86.3 | Confident | 91.5 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -78.1 | -25.4 | 175.4 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | A504 L526 Y529 | A504-S531 VanDerWaalsContact O-CB 3.26Å; A504-S531 WeakPolarHBondContact O-CB 3.31Å; A504-S531 PolarHBondContact O-OG 3.12Å; L526-S531 PolarHBondContact O-N 3.42Å; Y529-S531 PolarHBondContact O-N 3.25Å |
| 532 | L | 87.6 | Confident | 91.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -122.8 | 137.6 | 169.6 | -179.8 | 68 | 0 | 0 | 0 | 108.8 | P461 L509 I516 L523 L526 R530 F534 | P461-L532 HydrophobicContact CG-CD1 4.16Å; L509-L532 HydrophobicContact CD1-CD1 3.58Å; I516-L532 HydrophobicContact CD1-CD1 3.72Å; I516-L532 HydrophobicContact CD1-CD2 4.12Å; L523-L532 HydrophobicContact CD1-CD2 3.48Å; L523-L532 VanDerWaalsContact CD1-CD2 3.48Å; L526-L532 HydrophobicContact CB-CB 3.87Å; L526-L532 PolarHBondContact O-N 2.86Å; R530-L532 VanDerWaalsContact C-N 3.34Å; L532-F534 HydrophobicContact CD2-CE1 4.17Å |
| 533 | L | 86.1 | Confident | 91.8 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 46% | 0.455 | 15% | 0.146 | S | C | . | . | trans | -127 | 144.7 | 172.4 | -58.8 | 172.6 | 0 | 0 | 0 | 108.8 | R530 L535 | R530-L533 HydrophobicContact CB-CD2 4.38Å; L533-L535 HydrophobicContact CB-CD1 4.27Å; L533-L535 HydrophobicContact CB-CG 3.88Å; L533-L535 HydrophobicContact CD1-CD1 4.03Å; L533-L535 HydrophobicContact CD1-CG 4.42Å; L533-L535 PolarHBondContact O-N 3.46Å; L533-L535 VanDerWaalsContact O-N 3.12Å | ||
| 534 | F | 88.3 | Confident | 91.8 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | trans | -81.9 | 22.6 | -179.6 | -65.6 | -26.7 | 0 | 0 | 0 | 114.2 | V464 L523 L527 L532 R536 L537 I559 N562 F563 N566 | V464-F534 HydrophobicContact CG2-CE1 4.38Å; L523-F534 HydrophobicContact CD1-CE1 4.09Å; L523-F534 HydrophobicContact CD1-CZ 4.18Å; L523-F534 HydrophobicContact CD2-CZ 4.37Å; L523-F534 HydrophobicContact CG-CZ 4.49Å; L527-F534 HydrophobicContact CD1-CE1 4.45Å; L527-F534 HydrophobicContact CD1-CE2 3.84Å; L527-F534 HydrophobicContact CD1-CZ 3.64Å; L527-F534 HydrophobicContact CD2-CD1 4.1Å; L527-F534 HydrophobicContact CD2-CD2 4.25Å; L527-F534 HydrophobicContact CD2-CE1 3.79Å; L527-F534 HydrophobicContact CD2-CE2 3.94Å; L527-F534 HydrophobicContact CD2-CG 4.35Å; L527-F534 HydrophobicContact CD2-CZ 3.72Å; L527-F534 HydrophobicContact CG-CZ 4.19Å; L532-F534 HydrophobicContact CD2-CE1 4.17Å; F534-R536 PolarHBondContact O-N 3.3Å; F534-L537 HydrophobicContact CB-CB 3.9Å; F534-L537 HydrophobicContact CB-CD2 4.09Å; F534-L537 HydrophobicContact CD1-CB 4.21Å; F534-L537 HydrophobicContact CD1-CD2 3.34Å; F534-L537 HydrophobicContact CD1-CG 4.38Å; F534-L537 HydrophobicContact CD2-CD2 4.03Å; F534-L537 HydrophobicContact CE1-CD2 3.55Å; F534-L537 HydrophobicContact CE2-CD2 4.21Å; F534-L537 HydrophobicContact CG-CB 4.28Å; F534-L537 HydrophobicContact CG-CD2 3.58Å; F534-L537 HydrophobicContact CZ-CD2 3.97Å; F534-L537 PolarHBondContact O-N 2.85Å; F534-L537 VanDerWaalsContact O-N 3.07Å; F534-I559 HydrophobicContact CZ-CG2 4.39Å; F534-N562 HydrophobicContact CD2-CB 4.28Å; F534-N562 HydrophobicContact CE2-CB 4.03Å; F534-F563 HydrophobicContact CD2-CB 4.37Å; F534-F563 HydrophobicContact CE2-CB 4.28Å; F534-N566 HydrophobicContact CB-CB 4.11Å | ||
| 535 | L | 85.3 | Confident | 91.9 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.3 | -177.6 | -61 | 179.2 | 0 | 0 | 0 | 114.5 | L533 R572 | L533-L535 HydrophobicContact CB-CD1 4.27Å; L533-L535 HydrophobicContact CB-CG 3.88Å; L533-L535 HydrophobicContact CD1-CD1 4.03Å; L533-L535 HydrophobicContact CD1-CG 4.42Å; L533-L535 PolarHBondContact O-N 3.46Å; L533-L535 VanDerWaalsContact O-N 3.12Å; L535-R572 PolarHBondContact O-NH1 2.65Å; L535-R572 PolarHBondContact O-NH2 3.21Å |
| 536 | R | 87.8 | Confident | 91.8 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 14% | 0.143 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 3.9 | 174.8 | -72.6 | -177.9 | 61.7 | -142.5 | -13.6 | 112.5 | L455 P456 R458 G460 P461 F534 C538 | L455-R536 HydrophobicContact CB-CG 4.45Å; L455-R536 HydrophobicContact CD1-CB 4.34Å; P456-R536 HydrophobicContact CG-CG 4.21Å; P456-R536 WeakPolarHBondContact O-CD 3.29Å; R458-R536 WeakPolarHBondContact O-CD 3.4Å; R458-R536 PolarHBondContact O-NH1 2.94Å; G460-R536 PolarHBondContact O-NH1 3.45Å; G460-R536 VanDerWaalsContact O-NH1 3.09Å; P461-R536 CarbonylContact O-C 3.53Å; P461-R536 VanDerWaalsContact O-O 3.12Å; F534-R536 PolarHBondContact O-N 3.3Å; R536-C538 PolarHBondContact O-N 3.38Å |
| 537 | L | 91.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -74.3 | 118.2 | -172.9 | -176.9 | 60.5 | 0 | 0 | 0 | 109.2 | P461 V464 F534 H539 F563 | P461-L537 WeakPolarHBondContact O-CA 3.38Å; P461-L537 PolarHBondContact O-N 3.38Å; V464-L537 HydrophobicContact CB-CD1 3.93Å; V464-L537 HydrophobicContact CB-CD2 4.38Å; V464-L537 HydrophobicContact CG2-CD1 3.59Å; V464-L537 HydrophobicContact CG2-CD2 4.07Å; V464-L537 HydrophobicContact CG2-CG 4.48Å; F534-L537 HydrophobicContact CB-CB 3.9Å; F534-L537 HydrophobicContact CB-CD2 4.09Å; F534-L537 HydrophobicContact CD1-CB 4.21Å; F534-L537 HydrophobicContact CD1-CD2 3.34Å; F534-L537 HydrophobicContact CD1-CG 4.38Å; F534-L537 HydrophobicContact CD2-CD2 4.03Å; F534-L537 HydrophobicContact CE1-CD2 3.55Å; F534-L537 HydrophobicContact CE2-CD2 4.21Å; F534-L537 HydrophobicContact CG-CB 4.28Å; F534-L537 HydrophobicContact CG-CD2 3.58Å; F534-L537 HydrophobicContact CZ-CD2 3.97Å; F534-L537 PolarHBondContact O-N 2.85Å; F534-L537 VanDerWaalsContact O-N 3.07Å; L537-H539 VanDerWaalsContact CD1-O 3.31Å; L537-H539 WeakPolarHBondContact CD1-O 3.47Å; L537-F563 HydrophobicContact CD2-CD2 3.74Å; L537-F563 HydrophobicContact CD2-CE2 4.01Å; L537-F563 HydrophobicContact CG-CD2 4.25Å; L537-F563 HydrophobicContact CG-CE2 4.02Å | ||
| 538 | C | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | trans | -106.2 | -32.7 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | Y452 L462 R536 P576 Q578 | Y452-C538 HydrophobicContact CE1-CB 4.04Å; L462-C538 PolarHBondContact O-N 3.21Å; R536-C538 PolarHBondContact O-N 3.38Å; C538-P576 WeakPolarHBondContact CA-O 3.4Å; C538-P576 HydrophobicContact CB-CG 4.14Å; C538-P576 WeakPolarHBondContact CB-O 3.44Å; C538-P576 PolarHBondContact SG-O 3.04Å; C538-P576 VanDerWaalsContact SG-O 3.42Å; C538-Q578 PolarHBondContact O-N 2.62Å | ||
| 539 | H | 95 | Very high | 92 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 113.9 | -169.8 | -54.2 | -66 | 0 | 0 | 0 | 111.2 | L442 Y452 L462 A463 V464 L537 Q578 | L442-H539 HydrophobicContact CD1-CB 3.82Å; Y452-H539 AromaticContact CE1-NE2 3.65Å; Y452-H539 AromaticContact CZ-NE2 3.64Å; Y452-H539 PolarHBondContact OH-NE2 2.94Å; L462-H539 PolarHBondContact O-N 3.47Å; L462-H539 VanDerWaalsContact O-N 3.09Å; A463-H539 CarbonylContact C-O 3.58Å; A463-H539 VanDerWaalsContact CA-O 3.24Å; A463-H539 WeakPolarHBondContact CA-O 3.35Å; A463-H539 HydrophobicContact CB-CB 3.9Å; V464-H539 PolarHBondContact N-O 2.85Å; L537-H539 VanDerWaalsContact CD1-O 3.31Å; L537-H539 WeakPolarHBondContact CD1-O 3.47Å; H539-Q578 CarbonylContact C-O 3.47Å; H539-Q578 WeakPolarHBondContact CA-O 3.46Å; H539-Q578 PolarHBondContact CE1-OE1 3.25Å; H539-Q578 WeakPolarHBondContact ND1-CB 3.29Å; H539-Q578 PolarHBondContact ND1-OE1 3.16Å |
| 540 | L | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.9 | 172.5 | -179.3 | 62.7 | 0 | 0 | 0 | 109.4 | V464 V466 L542 L560 F563 Q578 I579 V580 | V464-L540 HydrophobicContact CB-CD1 4.25Å; V464-L540 HydrophobicContact CG1-CD1 4.25Å; V466-L540 HydrophobicContact CG2-CD1 3.98Å; L540-L542 HydrophobicContact CD1-CD2 4.29Å; L540-L542 HydrophobicContact CD2-CD2 4.31Å; L540-L542 HydrophobicContact CG-CD2 4.01Å; L540-L560 HydrophobicContact CD2-CD2 3.9Å; L540-F563 HydrophobicContact CB-CD2 4.3Å; L540-F563 HydrophobicContact CB-CE2 4.16Å; L540-F563 HydrophobicContact CB-CZ 4.4Å; L540-F563 HydrophobicContact CD2-CB 4.2Å; L540-F563 HydrophobicContact CD2-CD1 4.41Å; L540-F563 HydrophobicContact CD2-CD2 4.35Å; L540-F563 HydrophobicContact CD2-CG 4.07Å; L540-Q578 PolarHBondContact N-O 2.9Å; L540-I579 CarbonylContact O-C 3.51Å; L540-I579 VanDerWaalsContact O-CA 3.31Å; L540-I579 WeakPolarHBondContact O-CA 3.16Å; L540-V580 PolarHBondContact O-N 2.91Å |
| 541 | V | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.8 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | Y438 L442 V464 I465 V466 V580 | Y438-V541 HydrophobicContact CD1-CG1 4.43Å; Y438-V541 HydrophobicContact CD2-CG1 3.64Å; Y438-V541 HydrophobicContact CD2-CG2 4.46Å; Y438-V541 HydrophobicContact CE1-CG1 4.42Å; Y438-V541 HydrophobicContact CE2-CG1 3.67Å; Y438-V541 HydrophobicContact CG-CG1 4.05Å; L442-V541 HydrophobicContact CD1-CG2 4.38Å; L442-V541 HydrophobicContact CD2-CG2 3.81Å; V464-V541 PolarHBondContact O-N 2.75Å; I465-V541 HydrophobicContact CB-CB 4.41Å; I465-V541 HydrophobicContact CG1-CB 4.12Å; I465-V541 HydrophobicContact CG1-CG2 4.32Å; I465-V541 HydrophobicContact CG2-CB 4.28Å; I465-V541 HydrophobicContact CG2-CG1 4.3Å; V466-V541 PolarHBondContact N-O 3.12Å; V541-V580 CarbonylContact C-O 2.95Å; V541-V580 WeakPolarHBondContact CA-O 3.35Å; V541-V580 HydrophobicContact CG1-CB 4.46Å; V541-V580 HydrophobicContact CG2-CB 4.31Å |
| 542 | L | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 94.3 | 177 | -53.3 | -171.8 | 0 | 0 | 0 | 108.3 | V466 L540 V545 L548 M556 L560 I579 V580 A581 V582 L593 | V466-L542 HydrophobicContact CB-CD2 4.23Å; V466-L542 HydrophobicContact CG2-CD2 4.28Å; L540-L542 HydrophobicContact CD1-CD2 4.29Å; L540-L542 HydrophobicContact CD2-CD2 4.31Å; L540-L542 HydrophobicContact CG-CD2 4.01Å; L542-V545 HydrophobicContact CB-CB 4.26Å; L542-V545 HydrophobicContact CB-CG2 4.15Å; L542-V545 HydrophobicContact CD1-CG2 4.2Å; L542-L548 HydrophobicContact CB-CD1 3.78Å; L542-L548 HydrophobicContact CD2-CD1 4.31Å; L542-M556 HydrophobicContact CD1-CE 4.15Å; L542-M556 HydrophobicContact CD2-CE 3.5Å; L542-M556 VanDerWaalsContact CD2-CE 3.5Å; L542-M556 HydrophobicContact CG-CE 4.38Å; L542-L560 HydrophobicContact CD1-CD2 4.39Å; L542-I579 HydrophobicContact CD1-CG2 4.35Å; L542-I579 HydrophobicContact CG-CG2 4.44Å; L542-V580 PolarHBondContact N-O 3.1Å; L542-A581 HydrophobicContact CB-CB 4.24Å; L542-A581 HydrophobicContact CD1-CB 4.49Å; L542-V582 PolarHBondContact O-N 3.39Å; L542-L593 HydrophobicContact CD1-CD1 4.2Å; L542-L593 HydrophobicContact CD1-CD2 3.81Å |
| 543 | D | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 135.8 | 179.6 | -173.7 | 26.3 | 0 | 0 | 0 | 110.2 | Y438 I465 V466 K472 V545 L548 | Y438-D543 HydrophobicContact CE1-CB 4.45Å; I465-D543 HydrophobicContact CG2-CB 4.47Å; V466-D543 PolarHBondContact O-N 3.2Å; K472-D543 WeakPolarHBondContact CE-OD2 3.33Å; K472-D543 WeakPolarHBondContact CG-OD2 3.43Å; D543-V545 VanDerWaalsContact C-N 3.33Å; D543-V545 PolarHBondContact O-N 3.13Å; D543-L548 WeakPolarHBondContact O-CD1 3.19Å; D543-L548 WeakPolarHBondContact O-CG 3.35Å |
| 544 | E | 95.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 14% | 0.136 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 50.5 | -171.1 | -55.9 | -173.9 | -168.4 | 0 | 0 | 112.9 | N433 P468 K472 H546 M547 L548 V582 | N433-E544 HydrophobicContact CB-CG 4.48Å; N433-E544 WeakPolarHBondContact OD1-CG 3.48Å; P468-E544 HydrophobicContact CG-CB 4.04Å; K472-E544 VanDerWaalsContact CE-OE1 3.28Å; K472-E544 WeakPolarHBondContact CE-OE1 3.41Å; K472-E544 IonicContact NZ-OE1 2.7Å; K472-E544 PolarHBondContact NZ-OE1 3.29Å; E544-H546 PolarHBondContact O-N 2.79Å; E544-M547 HydrophobicContact CB-CB 4.35Å; E544-M547 HydrophobicContact CB-CG 4.46Å; E544-M547 WeakPolarHBondContact O-CA 3.26Å; E544-M547 WeakPolarHBondContact O-CB 3.35Å; E544-M547 PolarHBondContact O-N 3.41Å; E544-L548 PolarHBondContact O-N 3.27Å; E544-V582 CarbonylContact C-O 3.57Å; E544-V582 VanDerWaalsContact CA-O 3.26Å; E544-V582 WeakPolarHBondContact CA-O 3.4Å; E544-V582 PolarHBondContact N-O 2.6Å |
| 545 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.7 | -37.3 | -169.6 | 66.3 | 0 | 0 | 0 | 0 | 114.9 | L542 D543 M547 L548 F549 A581 V582 I590 L593 | L542-V545 HydrophobicContact CB-CB 4.26Å; L542-V545 HydrophobicContact CB-CG2 4.15Å; L542-V545 HydrophobicContact CD1-CG2 4.2Å; D543-V545 VanDerWaalsContact C-N 3.33Å; D543-V545 PolarHBondContact O-N 3.13Å; V545-M547 VanDerWaalsContact C-N 3.31Å; V545-M547 PolarHBondContact O-N 2.98Å; V545-L548 WeakPolarHBondContact O-CB 3.46Å; V545-L548 PolarHBondContact O-N 3.32Å; V545-F549 HydrophobicContact CG2-CD2 3.72Å; V545-F549 HydrophobicContact CG2-CE2 3.52Å; V545-F549 WeakPolarHBondContact O-CD2 3.49Å; V545-F549 PolarHBondContact O-N 3.48Å; V545-F549 VanDerWaalsContact O-N 3.15Å; V545-A581 HydrophobicContact CB-CB 4.15Å; V545-A581 HydrophobicContact CG1-CB 4.24Å; V545-A581 HydrophobicContact CG2-CB 4.05Å; V545-V582 PolarHBondContact N-O 3.13Å; V545-I590 HydrophobicContact CG1-CD1 3.79Å; V545-I590 HydrophobicContact CG1-CG1 4.07Å; V545-I590 HydrophobicContact CG2-CG1 4.23Å; V545-L593 HydrophobicContact CG2-CD2 4.22Å |
| 546 | H | 92 | Very high | 94.1 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 175.1 | 66 | -65.7 | 0 | 0 | 0 | 113.6 | E544 F550 V584 H585 I590 | E544-H546 PolarHBondContact O-N 2.79Å; H546-F550 VanDerWaalsContact O-CB 3.3Å; H546-F550 WeakPolarHBondContact O-CB 3.41Å; H546-F550 PolarHBondContact O-N 3.35Å; H546-F550 VanDerWaalsContact O-N 3.16Å; H546-V584 PolarHBondContact CE1-N 2.84Å; H546-V584 PolarHBondContact ND1-N 2.98Å; H546-H585 HydrophobicContact CB-CB 4.08Å; H546-H585 AromaticContact CD2-CD2 3.62Å; H546-H585 AromaticContact NE2-CD2 3.94Å; H546-I590 HydrophobicContact CB-CD1 4.48Å |
| 547 | M | 92 | Very high | 94.5 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 26% | 0.261 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -75.4 | -37.3 | 174.9 | -66.5 | -55.3 | -62.8 | 0 | 0 | 111.7 | P468 E544 V545 F549 F550 E551 | P468-M547 HydrophobicContact CB-CB 3.9Å; P468-M547 HydrophobicContact CG-CB 4.36Å; E544-M547 HydrophobicContact CB-CB 4.35Å; E544-M547 HydrophobicContact CB-CG 4.46Å; E544-M547 WeakPolarHBondContact O-CA 3.26Å; E544-M547 WeakPolarHBondContact O-CB 3.35Å; E544-M547 PolarHBondContact O-N 3.41Å; V545-M547 VanDerWaalsContact C-N 3.31Å; V545-M547 PolarHBondContact O-N 2.98Å; M547-F549 VanDerWaalsContact C-N 3.34Å; M547-F549 PolarHBondContact O-N 3.14Å; M547-F550 HydrophobicContact CE-CD1 4.3Å; M547-F550 PolarHBondContact O-N 3.11Å; M547-F550 VanDerWaalsContact O-N 3.15Å; M547-E551 HydrophobicContact CE-CG 4.17Å; M547-E551 PolarHBondContact O-N 2.61Å |
| 548 | L | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 176.2 | -61.8 | -178.5 | 0 | 0 | 0 | 111.8 | V466 P468 P520 L542 D543 E544 V545 A552 M556 | V466-L548 HydrophobicContact CB-CD1 4.46Å; V466-L548 HydrophobicContact CG1-CD1 4.31Å; V466-L548 HydrophobicContact CG1-CD2 4.17Å; P468-L548 VanDerWaalsContact CA-CD2 3.49Å; P468-L548 HydrophobicContact CB-CD2 4.01Å; P520-L548 HydrophobicContact CG-CD2 3.82Å; L542-L548 HydrophobicContact CB-CD1 3.78Å; L542-L548 HydrophobicContact CD2-CD1 4.31Å; D543-L548 WeakPolarHBondContact O-CD1 3.19Å; D543-L548 WeakPolarHBondContact O-CG 3.35Å; E544-L548 PolarHBondContact O-N 3.27Å; V545-L548 WeakPolarHBondContact O-CB 3.46Å; V545-L548 PolarHBondContact O-N 3.32Å; L548-A552 CarbonylContact O-C 3.49Å; L548-A552 WeakPolarHBondContact O-CA 3.13Å; L548-A552 PolarHBondContact O-N 2.59Å; L548-M556 HydrophobicContact CB-CE 4.35Å; L548-M556 HydrophobicContact CB-CG 3.91Å; L548-M556 HydrophobicContact CB-SD 3.94Å; L548-M556 HydrophobicContact CD1-CE 3.95Å; L548-M556 HydrophobicContact CD1-SD 4.21Å; L548-M556 HydrophobicContact CD2-SD 4.49Å; L548-M556 HydrophobicContact CG-SD 4.46Å |
| 549 | F | 93.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.5 | -27 | 177 | -74.1 | -69.9 | 0 | 0 | 0 | 113.2 | V545 M547 N553 M556 F557 L560 H589 L593 | V545-F549 HydrophobicContact CG2-CD2 3.72Å; V545-F549 HydrophobicContact CG2-CE2 3.52Å; V545-F549 WeakPolarHBondContact O-CD2 3.49Å; V545-F549 PolarHBondContact O-N 3.48Å; V545-F549 VanDerWaalsContact O-N 3.15Å; M547-F549 VanDerWaalsContact C-N 3.34Å; M547-F549 PolarHBondContact O-N 3.14Å; F549-N553 VanDerWaalsContact O-CB 3.31Å; F549-N553 WeakPolarHBondContact O-CB 3.26Å; F549-M556 HydrophobicContact CD1-CB 4.02Å; F549-M556 HydrophobicContact CE1-CB 3.8Å; F549-M556 HydrophobicContact CZ-CB 4.45Å; F549-F557 HydrophobicContact CD1-CE1 4.4Å; F549-F557 HydrophobicContact CD1-CE2 4.45Å; F549-F557 HydrophobicContact CD1-CZ 4.11Å; F549-F557 HydrophobicContact CE1-CD1 4.12Å; F549-F557 AromaticContact CE1-CE1 3.55Å; F549-F557 HydrophobicContact CE1-CE1 3.55Å; F549-F557 HydrophobicContact CE1-CE2 4.32Å; F549-F557 AromaticContact CE1-CZ 3.7Å; F549-F557 HydrophobicContact CE1-CZ 3.7Å; F549-F557 HydrophobicContact CZ-CE1 4.25Å; F549-L560 HydrophobicContact CE1-CD1 4.32Å; F549-L560 HydrophobicContact CZ-CD1 3.95Å; F549-H589 HydrophobicContact CB-CB 3.77Å; F549-H589 HydrophobicContact CD1-CB 3.76Å; F549-H589 HydrophobicContact CD2-CB 4.02Å; F549-H589 HydrophobicContact CE1-CB 4.34Å; F549-H589 HydrophobicContact CG-CB 3.58Å; F549-L593 HydrophobicContact CE2-CB 4.4Å; F549-L593 HydrophobicContact CE2-CD2 4.21Å; F549-L593 HydrophobicContact CZ-CB 4.21Å |
| 550 | F | 89.9 | Confident | 95 | Very high | 163 Ų | 163 | 30.5 Ų | 30.5 | 72% | 0.715 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -71.3 | -43.7 | 176 | -178.2 | -102.8 | 0 | 0 | 0 | 112.1 | H546 M547 | H546-F550 VanDerWaalsContact O-CB 3.3Å; H546-F550 WeakPolarHBondContact O-CB 3.41Å; H546-F550 PolarHBondContact O-N 3.35Å; H546-F550 VanDerWaalsContact O-N 3.16Å; M547-F550 HydrophobicContact CE-CD1 4.3Å; M547-F550 PolarHBondContact O-N 3.11Å; M547-F550 VanDerWaalsContact O-N 3.15Å |
| 551 | E | 89.7 | Confident | 94.8 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -93.6 | -28.9 | -174 | -60.8 | -166.6 | 142.2 | 0 | 0 | 113.8 | M547 K822 | M547-E551 HydrophobicContact CE-CG 4.17Å; M547-E551 PolarHBondContact O-N 2.61Å; E551-K822 IonicContact OE1-NZ 2.77Å; E551-K822 PolarHBondContact OE1-NZ 3.07Å |
| 552 | A | 93.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | trans | -139.8 | 42.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P520 L548 E554 Q555 M556 | P520-A552 HydrophobicContact CB-CB 3.73Å; P520-A552 HydrophobicContact CG-CB 3.96Å; L548-A552 CarbonylContact O-C 3.49Å; L548-A552 WeakPolarHBondContact O-CA 3.13Å; L548-A552 PolarHBondContact O-N 2.59Å; A552-E554 PolarHBondContact O-N 3.35Å; A552-Q555 VanDerWaalsContact C-OE1 3.24Å; A552-Q555 VanDerWaalsContact CA-OE1 3.27Å; A552-Q555 HydrophobicContact CB-CB 4.25Å; A552-Q555 PolarHBondContact O-N 3.43Å; A552-Q555 VanDerWaalsContact O-N 3.17Å; A552-Q555 PolarHBondContact O-OE1 2.99Å; A552-M556 WeakPolarHBondContact O-CG 3.29Å; A552-M556 PolarHBondContact O-N 2.93Å | ||
| 553 | N | 94.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -50.5 | -52 | -174.4 | -170.9 | 37.2 | 0 | 0 | 0 | 113.8 | F549 Q555 M556 F557 H589 | F549-N553 VanDerWaalsContact O-CB 3.31Å; F549-N553 WeakPolarHBondContact O-CB 3.26Å; N553-Q555 VanDerWaalsContact C-N 3.33Å; N553-Q555 PolarHBondContact O-N 2.85Å; N553-M556 PolarHBondContact O-N 3.36Å; N553-F557 WeakPolarHBondContact O-CD2 3.28Å; N553-F557 PolarHBondContact O-N 2.96Å; N553-F557 VanDerWaalsContact O-N 3.15Å; N553-F557 WeakPolarHBondContact OD1-CE2 3.34Å; N553-H589 PolarHBondContact OD1-ND1 3.03Å |
| 554 | E | 94.3 | Very high | 93.8 | Very high | 151 Ų | 151 | 40.3 Ų | 40.3 | 71% | 0.706 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.2 | -40.6 | -178.2 | -63.4 | -175.2 | 164.1 | 0 | 0 | 111.6 | A552 A558 | A552-E554 PolarHBondContact O-N 3.35Å; E554-A558 WeakPolarHBondContact O-CB 3.49Å; E554-A558 PolarHBondContact O-N 3.13Å |
| 555 | Q | 96 | Very high | 93.4 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | -179.8 | -63 | 68 | 28.1 | 0 | 0 | 110.7 | P520 L524 A552 N553 A558 I559 | P520-Q555 HydrophobicContact CB-CB 4.05Å; L524-Q555 HydrophobicContact CD2-CB 4.07Å; L524-Q555 HydrophobicContact CD2-CG 3.78Å; A552-Q555 VanDerWaalsContact C-OE1 3.24Å; A552-Q555 VanDerWaalsContact CA-OE1 3.27Å; A552-Q555 HydrophobicContact CB-CB 4.25Å; A552-Q555 PolarHBondContact O-N 3.43Å; A552-Q555 VanDerWaalsContact O-N 3.17Å; A552-Q555 PolarHBondContact O-OE1 2.99Å; N553-Q555 VanDerWaalsContact C-N 3.33Å; N553-Q555 PolarHBondContact O-N 2.85Å; Q555-A558 PolarHBondContact O-N 3.44Å; Q555-I559 WeakPolarHBondContact O-CD1 3.41Å; Q555-I559 VanDerWaalsContact O-CG1 3.22Å; Q555-I559 WeakPolarHBondContact O-CG1 3.27Å; Q555-I559 PolarHBondContact O-N 2.79Å |
| 556 | M | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 177.8 | -72.7 | -48.5 | -56.9 | 0 | 0 | 112.1 | V466 P520 L542 L548 F549 A552 N553 A558 I559 L560 | V466-M556 HydrophobicContact CG1-CE 4.45Å; V466-M556 HydrophobicContact CG1-SD 4.06Å; P520-M556 HydrophobicContact CB-SD 3.79Å; P520-M556 HydrophobicContact CG-SD 3.62Å; L542-M556 HydrophobicContact CD1-CE 4.15Å; L542-M556 HydrophobicContact CD2-CE 3.5Å; L542-M556 VanDerWaalsContact CD2-CE 3.5Å; L542-M556 HydrophobicContact CG-CE 4.38Å; L548-M556 HydrophobicContact CB-CE 4.35Å; L548-M556 HydrophobicContact CB-CG 3.91Å; L548-M556 HydrophobicContact CB-SD 3.94Å; L548-M556 HydrophobicContact CD1-CE 3.95Å; L548-M556 HydrophobicContact CD1-SD 4.21Å; L548-M556 HydrophobicContact CD2-SD 4.49Å; L548-M556 HydrophobicContact CG-SD 4.46Å; F549-M556 HydrophobicContact CD1-CB 4.02Å; F549-M556 HydrophobicContact CE1-CB 3.8Å; F549-M556 HydrophobicContact CZ-CB 4.45Å; A552-M556 WeakPolarHBondContact O-CG 3.29Å; A552-M556 PolarHBondContact O-N 2.93Å; N553-M556 PolarHBondContact O-N 3.36Å; M556-A558 VanDerWaalsContact C-N 3.35Å; M556-A558 PolarHBondContact O-N 2.89Å; M556-I559 PolarHBondContact O-N 2.72Å; M556-I559 HydrophobicContact SD-CD1 4.32Å; M556-L560 VanDerWaalsContact O-CG 3.28Å; M556-L560 WeakPolarHBondContact O-CG 3.48Å; M556-L560 PolarHBondContact O-N 3.18Å |
| 557 | F | 96.1 | Very high | 92.1 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.8 | -71.9 | -49.5 | 0 | 0 | 0 | 112.4 | F549 N553 I559 L560 D561 H589 H592 F597 | F549-F557 HydrophobicContact CD1-CE1 4.4Å; F549-F557 HydrophobicContact CD1-CE2 4.45Å; F549-F557 HydrophobicContact CD1-CZ 4.11Å; F549-F557 HydrophobicContact CE1-CD1 4.12Å; F549-F557 AromaticContact CE1-CE1 3.55Å; F549-F557 HydrophobicContact CE1-CE1 3.55Å; F549-F557 HydrophobicContact CE1-CE2 4.32Å; F549-F557 AromaticContact CE1-CZ 3.7Å; F549-F557 HydrophobicContact CE1-CZ 3.7Å; F549-F557 HydrophobicContact CZ-CE1 4.25Å; N553-F557 WeakPolarHBondContact O-CD2 3.28Å; N553-F557 PolarHBondContact O-N 2.96Å; N553-F557 VanDerWaalsContact O-N 3.15Å; N553-F557 WeakPolarHBondContact OD1-CE2 3.34Å; F557-I559 VanDerWaalsContact C-N 3.32Å; F557-I559 PolarHBondContact O-N 2.71Å; F557-L560 HydrophobicContact CD1-CD1 4.19Å; F557-L560 PolarHBondContact O-N 2.89Å; F557-D561 WeakPolarHBondContact O-CB 3.26Å; F557-D561 PolarHBondContact O-N 2.76Å; F557-H589 AromaticContact CZ-ND1 3.95Å; F557-H592 AromaticContact CE1-CD2 3.37Å; F557-H592 WeakPolarHBondContact CE1-CD2 3.39Å; F557-H592 AromaticContact CZ-CD2 3.72Å; F557-F597 HydrophobicContact CD1-CE2 4.09Å; F557-F597 HydrophobicContact CD1-CZ 4.29Å; F557-F597 HydrophobicContact CE1-CE2 4.32Å |
| 558 | A | 96.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L524 E554 Q555 M556 N562 | L524-A558 HydrophobicContact CD1-CB 3.61Å; L524-A558 HydrophobicContact CD2-CB 4.36Å; E554-A558 WeakPolarHBondContact O-CB 3.49Å; E554-A558 PolarHBondContact O-N 3.13Å; Q555-A558 PolarHBondContact O-N 3.44Å; M556-A558 VanDerWaalsContact C-N 3.35Å; M556-A558 PolarHBondContact O-N 2.89Å; A558-N562 PolarHBondContact O-N 3.5Å; A558-N562 VanDerWaalsContact O-N 3.09Å; A558-N562 PolarHBondContact O-ND2 3.21Å |
| 559 | I | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 175.6 | -70.3 | 158.2 | 0 | 0 | 0 | 110.9 | P520 L523 L524 L527 F534 Q555 M556 F557 N562 F563 | P520-I559 HydrophobicContact CB-CD1 4.18Å; L523-I559 HydrophobicContact CB-CD1 4.08Å; L523-I559 HydrophobicContact CD2-CD1 3.92Å; L523-I559 HydrophobicContact CD2-CG1 4.11Å; L523-I559 HydrophobicContact CD2-CG2 3.75Å; L523-I559 HydrophobicContact CG-CD1 4.11Å; L523-I559 HydrophobicContact CG-CG1 4.12Å; L523-I559 HydrophobicContact CG-CG2 4.48Å; L524-I559 HydrophobicContact CB-CG1 4.46Å; L527-I559 HydrophobicContact CD1-CG1 4.23Å; F534-I559 HydrophobicContact CZ-CG2 4.39Å; Q555-I559 WeakPolarHBondContact O-CD1 3.41Å; Q555-I559 VanDerWaalsContact O-CG1 3.22Å; Q555-I559 WeakPolarHBondContact O-CG1 3.27Å; Q555-I559 PolarHBondContact O-N 2.79Å; M556-I559 PolarHBondContact O-N 2.72Å; M556-I559 HydrophobicContact SD-CD1 4.32Å; F557-I559 VanDerWaalsContact C-N 3.32Å; F557-I559 PolarHBondContact O-N 2.71Å; I559-N562 WeakPolarHBondContact O-CB 3.39Å; I559-N562 PolarHBondContact O-N 3.24Å; I559-F563 PolarHBondContact O-N 3.11Å |
| 560 | L | 95.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 179.5 | -70.4 | 165.8 | 0 | 0 | 0 | 111.9 | L540 L542 F549 M556 F557 N562 F563 K564 I579 L593 F597 | L540-L560 HydrophobicContact CD2-CD2 3.9Å; L542-L560 HydrophobicContact CD1-CD2 4.39Å; F549-L560 HydrophobicContact CE1-CD1 4.32Å; F549-L560 HydrophobicContact CZ-CD1 3.95Å; M556-L560 VanDerWaalsContact O-CG 3.28Å; M556-L560 WeakPolarHBondContact O-CG 3.48Å; M556-L560 PolarHBondContact O-N 3.18Å; F557-L560 HydrophobicContact CD1-CD1 4.19Å; F557-L560 PolarHBondContact O-N 2.89Å; L560-N562 VanDerWaalsContact C-N 3.33Å; L560-N562 PolarHBondContact O-N 3.03Å; L560-F563 WeakPolarHBondContact O-CB 3.36Å; L560-F563 PolarHBondContact O-N 3Å; L560-F563 VanDerWaalsContact O-N 3.16Å; L560-K564 WeakPolarHBondContact O-CB 3.32Å; L560-K564 PolarHBondContact O-N 3.3Å; L560-I579 HydrophobicContact CD2-CD1 4.36Å; L560-L593 HydrophobicContact CD1-CD1 3.65Å; L560-L593 HydrophobicContact CD2-CD1 3.66Å; L560-L593 HydrophobicContact CG-CD1 4.32Å; L560-F597 HydrophobicContact CB-CD1 3.64Å; L560-F597 HydrophobicContact CB-CD2 4.47Å; L560-F597 HydrophobicContact CB-CE1 3.48Å; L560-F597 VanDerWaalsContact CB-CE1 3.48Å; L560-F597 HydrophobicContact CB-CE2 4.34Å; L560-F597 HydrophobicContact CB-CG 4.14Å; L560-F597 HydrophobicContact CB-CZ 3.84Å; L560-F597 HydrophobicContact CD1-CD2 4.28Å; L560-F597 HydrophobicContact CD1-CE2 4.27Å |
| 561 | D | 93.8 | Very high | 87 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 173.7 | -77.8 | -17 | 0 | 0 | 0 | 111.9 | F557 F563 K565 F597 | F557-D561 WeakPolarHBondContact O-CB 3.26Å; F557-D561 PolarHBondContact O-N 2.76Å; D561-F563 VanDerWaalsContact C-N 3.35Å; D561-K565 WeakPolarHBondContact O-CB 3.32Å; D561-K565 VanDerWaalsContact O-CG 3.23Å; D561-K565 WeakPolarHBondContact O-CG 3.48Å; D561-K565 PolarHBondContact O-N 3.41Å; D561-F597 WeakPolarHBondContact OD1-CE1 3.25Å |
| 562 | N | 91.6 | Very high | 85.8 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 173.7 | -84 | -82 | 0 | 0 | 0 | 110.5 | L527 F534 A558 I559 L560 N566 | L527-N562 HydrophobicContact CD1-CB 4.11Å; F534-N562 HydrophobicContact CD2-CB 4.28Å; F534-N562 HydrophobicContact CE2-CB 4.03Å; A558-N562 PolarHBondContact O-N 3.5Å; A558-N562 VanDerWaalsContact O-N 3.09Å; A558-N562 PolarHBondContact O-ND2 3.21Å; I559-N562 WeakPolarHBondContact O-CB 3.39Å; I559-N562 PolarHBondContact O-N 3.24Å; L560-N562 VanDerWaalsContact C-N 3.33Å; L560-N562 PolarHBondContact O-N 3.03Å; N562-N566 PolarHBondContact O-N 3.3Å; N562-N566 VanDerWaalsContact O-N 3.14Å; N562-N566 PolarHBondContact O-ND2 3.39Å |
| 563 | F | 91.3 | Very high | 84.2 | Confident | 11 Ų | 11 | 69 Ų | 69 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 176.6 | -177.4 | -103.3 | 0 | 0 | 0 | 111.5 | F534 L537 L540 I559 L560 D561 K565 N566 V567 I579 | F534-F563 HydrophobicContact CD2-CB 4.37Å; F534-F563 HydrophobicContact CE2-CB 4.28Å; L537-F563 HydrophobicContact CD2-CD2 3.74Å; L537-F563 HydrophobicContact CD2-CE2 4.01Å; L537-F563 HydrophobicContact CG-CD2 4.25Å; L537-F563 HydrophobicContact CG-CE2 4.02Å; L540-F563 HydrophobicContact CB-CD2 4.3Å; L540-F563 HydrophobicContact CB-CE2 4.16Å; L540-F563 HydrophobicContact CB-CZ 4.4Å; L540-F563 HydrophobicContact CD2-CB 4.2Å; L540-F563 HydrophobicContact CD2-CD1 4.41Å; L540-F563 HydrophobicContact CD2-CD2 4.35Å; L540-F563 HydrophobicContact CD2-CG 4.07Å; I559-F563 PolarHBondContact O-N 3.11Å; L560-F563 WeakPolarHBondContact O-CB 3.36Å; L560-F563 PolarHBondContact O-N 3Å; L560-F563 VanDerWaalsContact O-N 3.16Å; D561-F563 VanDerWaalsContact C-N 3.35Å; F563-K565 PolarHBondContact O-N 3.17Å; F563-N566 PolarHBondContact O-N 3.47Å; F563-N566 VanDerWaalsContact O-N 3.11Å; F563-V567 HydrophobicContact CD1-CG2 4.37Å; F563-V567 HydrophobicContact CE1-CG2 4.04Å; F563-V567 HydrophobicContact CZ-CG2 4.13Å; F563-V567 WeakPolarHBondContact O-CG2 3.37Å; F563-V567 PolarHBondContact O-N 3.24Å; F563-V567 VanDerWaalsContact O-N 3.09Å; F563-I579 HydrophobicContact CD1-CD1 3.94Å; F563-I579 HydrophobicContact CD1-CG1 4.18Å; F563-I579 HydrophobicContact CE1-CD1 3.82Å; F563-I579 HydrophobicContact CE1-CG1 3.63Å; F563-I579 HydrophobicContact CZ-CG1 4.31Å |
| 564 | K | 89.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 178.4 | -175.6 | 172.3 | -178.7 | 168.9 | 0 | 112.7 | L560 N566 V567 E568 E596 F597 | L560-K564 WeakPolarHBondContact O-CB 3.32Å; L560-K564 PolarHBondContact O-N 3.3Å; K564-N566 VanDerWaalsContact C-N 3.28Å; K564-N566 PolarHBondContact O-N 2.9Å; K564-V567 PolarHBondContact O-N 3.08Å; K564-V567 VanDerWaalsContact O-N 3.12Å; K564-E568 WeakPolarHBondContact CE-OE1 3.15Å; K564-E568 WeakPolarHBondContact O-CG 3.15Å; K564-E568 PolarHBondContact O-N 3.44Å; K564-E596 PolarHBondContact NZ-O 3.44Å; K564-F597 HydrophobicContact CB-CD1 4.36Å; K564-F597 HydrophobicContact CD-CD1 4.18Å; K564-F597 HydrophobicContact CD-CE1 4.36Å |
| 565 | K | 87 | Confident | 81.8 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.7 | -73.6 | 170.1 | -173.9 | 170.4 | 0 | 112.8 | D561 F563 V569 | D561-K565 WeakPolarHBondContact O-CB 3.32Å; D561-K565 VanDerWaalsContact O-CG 3.23Å; D561-K565 WeakPolarHBondContact O-CG 3.48Å; D561-K565 PolarHBondContact O-N 3.41Å; F563-K565 PolarHBondContact O-N 3.17Å; K565-V569 WeakPolarHBondContact O-CB 3.47Å; K565-V569 WeakPolarHBondContact O-CG2 3.41Å; K565-V569 PolarHBondContact O-N 2.89Å |
| 566 | N | 82.3 | Confident | 81.1 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.7 | -36.6 | 177.5 | -76.9 | -79.5 | 0 | 0 | 0 | 111.8 | F534 N562 F563 K564 E570 | F534-N566 HydrophobicContact CB-CB 4.11Å; N562-N566 PolarHBondContact O-N 3.3Å; N562-N566 VanDerWaalsContact O-N 3.14Å; N562-N566 PolarHBondContact O-ND2 3.39Å; F563-N566 PolarHBondContact O-N 3.47Å; F563-N566 VanDerWaalsContact O-N 3.11Å; K564-N566 VanDerWaalsContact C-N 3.28Å; K564-N566 PolarHBondContact O-N 2.9Å; N566-E570 PolarHBondContact O-N 3.48Å |
| 567 | V | 79.3 | Confident | 80.6 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | F563 K564 H577 | F563-V567 HydrophobicContact CD1-CG2 4.37Å; F563-V567 HydrophobicContact CE1-CG2 4.04Å; F563-V567 HydrophobicContact CZ-CG2 4.13Å; F563-V567 WeakPolarHBondContact O-CG2 3.37Å; F563-V567 PolarHBondContact O-N 3.24Å; F563-V567 VanDerWaalsContact O-N 3.09Å; K564-V567 PolarHBondContact O-N 3.08Å; K564-V567 VanDerWaalsContact O-N 3.12Å; V567-H577 HydrophobicContact CG1-CB 4.45Å; V567-H577 HydrophobicContact CG2-CB 4.35Å |
| 568 | E | 75.9 | Confident | 80.5 | Confident | 131 Ų | 131 | 63.8 Ų | 63.8 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.7 | -31.9 | -179.8 | -70.9 | 172.6 | -175.7 | 0 | 0 | 113.7 | K564 | K564-E568 WeakPolarHBondContact CE-OE1 3.15Å; K564-E568 WeakPolarHBondContact O-CG 3.15Å; K564-E568 PolarHBondContact O-N 3.44Å |
| 569 | V | 67.9 | Low | 80.6 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 73% | 0.727 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -79.1 | -29.8 | -175.2 | 168.8 | 0 | 0 | 0 | 0 | 112.9 | K565 | K565-V569 WeakPolarHBondContact O-CB 3.47Å; K565-V569 WeakPolarHBondContact O-CG2 3.41Å; K565-V569 PolarHBondContact O-N 2.89Å |
| 570 | E | 63.3 | Low | 80.6 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -111.5 | 102.2 | -177.7 | -64.7 | -175.7 | 117.2 | 0 | 0 | 109.8 | N566 R572 | N566-E570 PolarHBondContact O-N 3.48Å; E570-R572 HydrophobicContact CB-CG 3.97Å; E570-R572 VanDerWaalsContact CD-CZ 3.41Å; E570-R572 PolarHBondContact O-N 2.83Å; E570-R572 IonicContact OE1-CZ 3.82Å; E570-R572 IonicContact OE1-NE 3.72Å; E570-R572 IonicContact OE1-NH2 2.59Å; E570-R572 PolarHBondContact OE1-NH2 3.37Å; E570-R572 IonicContact OE2-CZ 3.94Å; E570-R572 IonicContact OE2-NE 3.12Å; E570-R572 PolarHBondContact OE2-NE 2.98Å; E570-R572 IonicContact OE2-NH1 2.89Å; E570-R572 PolarHBondContact OE2-NH1 3.12Å; E570-R572 IonicContact OE2-NH2 2.86Å; E570-R572 PolarHBondContact OE2-NH2 2.96Å |
| 571 | E | 56.5 | Low | 80.7 | Confident | 190 Ų | 190 | 62.6 Ų | 62.6 | 89% | 0.888 | 32% | 0.317 | S | S | * | . | trans | -62.3 | 83.2 | 170.8 | -71.7 | -175.5 | 162.3 | 0 | 0 | 110.2 | ||||
| 572 | R | 64.1 | Low | 80.9 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | trans | -105.5 | 70.4 | 179.6 | -68.6 | 172.7 | 176.7 | -165.7 | -5.5 | 109 | L455 P456 L535 E570 S574 A575 | L455-R572 VanDerWaalsContact CD2-NH1 3.29Å; P456-R572 VanDerWaalsContact CG-NH2 3.34Å; L535-R572 PolarHBondContact O-NH1 2.65Å; L535-R572 PolarHBondContact O-NH2 3.21Å; E570-R572 HydrophobicContact CB-CG 3.97Å; E570-R572 VanDerWaalsContact CD-CZ 3.41Å; E570-R572 PolarHBondContact O-N 2.83Å; E570-R572 IonicContact OE1-CZ 3.82Å; E570-R572 IonicContact OE1-NE 3.72Å; E570-R572 IonicContact OE1-NH2 2.59Å; E570-R572 PolarHBondContact OE1-NH2 3.37Å; E570-R572 IonicContact OE2-CZ 3.94Å; E570-R572 IonicContact OE2-NE 3.12Å; E570-R572 PolarHBondContact OE2-NE 2.98Å; E570-R572 IonicContact OE2-NH1 2.89Å; E570-R572 PolarHBondContact OE2-NH1 3.12Å; E570-R572 IonicContact OE2-NH2 2.86Å; E570-R572 PolarHBondContact OE2-NH2 2.96Å; R572-S574 PolarHBondContact O-N 3.01Å; R572-A575 HydrophobicContact CB-CB 4.13Å; R572-A575 PolarHBondContact O-N 2.79Å | ||
| 573 | E | 59.3 | Low | 81.1 | Confident | 197 Ų | 197 | 56.7 Ų | 56.7 | 92% | 0.921 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -18.6 | -176.4 | -66.8 | -173.3 | 149.3 | 0 | 0 | 114.2 | ||
| 574 | S | 65.2 | Low | 81.2 | Confident | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -12.1 | -175.2 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | S454 R572 | S454-S574 WeakPolarHBondContact CB-OG 3.49Å; S454-S574 PolarHBondContact OG-OG 2.87Å; R572-S574 PolarHBondContact O-N 3.01Å |
| 575 | A | 74.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -93.1 | 138.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L455 R572 | L455-A575 HydrophobicContact CD2-CB 3.96Å; R572-A575 HydrophobicContact CB-CB 4.13Å; R572-A575 PolarHBondContact O-N 2.79Å |
| 576 | P | 79.5 | Confident | 81.5 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | trans | -67.9 | 139.6 | 177.3 | 26.6 | -30.8 | 0 | 0 | 0 | 110.4 | Y452 C538 | Y452-P576 HydrophobicContact CE1-CG 3.99Å; C538-P576 WeakPolarHBondContact CA-O 3.4Å; C538-P576 HydrophobicContact CB-CG 4.14Å; C538-P576 WeakPolarHBondContact CB-O 3.44Å; C538-P576 PolarHBondContact SG-O 3.04Å; C538-P576 VanDerWaalsContact SG-O 3.42Å | ||
| 577 | H | 88.1 | Confident | 81.8 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | trans | -115.6 | 107.8 | 165.6 | -58.3 | 121.1 | 0 | 0 | 0 | 106.6 | V567 | V567-H577 HydrophobicContact CG1-CB 4.45Å; V567-H577 HydrophobicContact CG2-CB 4.35Å | ||
| 578 | Q | 93.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.2 | -171.5 | -174 | 178.3 | 31 | 0 | 0 | 110.4 | I419 C423 D424 C538 H539 L540 V580 | I419-Q578 PolarHBondContact O-NE2 2.88Å; I419-Q578 VanDerWaalsContact O-NE2 3.11Å; C423-Q578 WeakPolarHBondContact O-CG 3.13Å; C423-Q578 PolarHBondContact O-NE2 3.31Å; D424-Q578 VanDerWaalsContact OD1-CA 3.31Å; D424-Q578 WeakPolarHBondContact OD1-CA 3.28Å; C538-Q578 PolarHBondContact O-N 2.62Å; H539-Q578 CarbonylContact C-O 3.47Å; H539-Q578 WeakPolarHBondContact CA-O 3.46Å; H539-Q578 PolarHBondContact CE1-OE1 3.25Å; H539-Q578 WeakPolarHBondContact ND1-CB 3.29Å; H539-Q578 PolarHBondContact ND1-OE1 3.16Å; L540-Q578 PolarHBondContact N-O 2.9Å; Q578-V580 HydrophobicContact CG-CG2 3.81Å |
| 579 | I | 96.9 | Very high | 82.9 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.9 | 165.7 | -52.1 | 179.9 | 0 | 0 | 0 | 108.7 | D424 M425 L540 L542 L560 F563 F597 M598 | D424-I579 WeakPolarHBondContact CA-O 3.48Å; D424-I579 PolarHBondContact OD1-N 3Å; M425-I579 PolarHBondContact N-O 2.99Å; L540-I579 CarbonylContact O-C 3.51Å; L540-I579 VanDerWaalsContact O-CA 3.31Å; L540-I579 WeakPolarHBondContact O-CA 3.16Å; L542-I579 HydrophobicContact CD1-CG2 4.35Å; L542-I579 HydrophobicContact CG-CG2 4.44Å; L560-I579 HydrophobicContact CD2-CD1 4.36Å; F563-I579 HydrophobicContact CD1-CD1 3.94Å; F563-I579 HydrophobicContact CD1-CG1 4.18Å; F563-I579 HydrophobicContact CE1-CD1 3.82Å; F563-I579 HydrophobicContact CE1-CG1 3.63Å; F563-I579 HydrophobicContact CZ-CG1 4.31Å; I579-F597 HydrophobicContact CD1-CB 4.15Å; I579-M598 HydrophobicContact CB-CE 3.8Å; I579-M598 HydrophobicContact CB-CG 4.27Å; I579-M598 HydrophobicContact CD1-CG 4.35Å; I579-M598 HydrophobicContact CG2-CE 3.43Å; I579-M598 VanDerWaalsContact CG2-CE 3.43Å |
| 580 | V | 97.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | I419 M425 L540 V541 L542 Q578 V582 | I419-V580 HydrophobicContact CD1-CG1 3.82Å; I419-V580 HydrophobicContact CG1-CG1 4.19Å; I419-V580 HydrophobicContact CG1-CG2 4.24Å; I419-V580 HydrophobicContact CG2-CG2 4.34Å; M425-V580 HydrophobicContact CB-CG1 4.34Å; M425-V580 HydrophobicContact CB-CG2 4.5Å; M425-V580 WeakPolarHBondContact O-CA 3.42Å; L540-V580 PolarHBondContact O-N 2.91Å; V541-V580 CarbonylContact C-O 2.95Å; V541-V580 WeakPolarHBondContact CA-O 3.35Å; V541-V580 HydrophobicContact CG1-CB 4.46Å; V541-V580 HydrophobicContact CG2-CB 4.31Å; L542-V580 PolarHBondContact N-O 3.1Å; Q578-V580 HydrophobicContact CG-CG2 3.81Å; V580-V582 HydrophobicContact CG1-CG2 3.94Å |
| 581 | A | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M425 V426 V427 L542 V545 L593 M598 | M425-A581 PolarHBondContact O-N 3.48Å; V426-A581 CarbonylContact C-O 3.57Å; V426-A581 WeakPolarHBondContact CA-O 3.37Å; V426-A581 HydrophobicContact CG2-CB 4.34Å; V427-A581 PolarHBondContact N-O 2.99Å; L542-A581 HydrophobicContact CB-CB 4.24Å; L542-A581 HydrophobicContact CD1-CB 4.49Å; V545-A581 HydrophobicContact CB-CB 4.15Å; V545-A581 HydrophobicContact CG1-CB 4.24Å; V545-A581 HydrophobicContact CG2-CB 4.05Å; A581-L593 HydrophobicContact CB-CD2 3.86Å; A581-M598 HydrophobicContact CB-CE 4.04Å |
| 582 | V | 97.8 | Very high | 87 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.3 | -179.8 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | V427 G432 L437 Y438 L542 E544 V545 V580 | V427-V582 HydrophobicContact CB-CG1 4.21Å; V427-V582 HydrophobicContact CB-CG2 4.29Å; V427-V582 HydrophobicContact CG1-CG1 4.46Å; V427-V582 WeakPolarHBondContact O-CA 3.46Å; G432-V582 WeakPolarHBondContact O-CG1 3.48Å; L437-V582 HydrophobicContact CB-CG1 4.28Å; L437-V582 HydrophobicContact CD1-CG1 3.83Å; Y438-V582 HydrophobicContact CD1-CB 4.36Å; Y438-V582 HydrophobicContact CD1-CG2 3.84Å; Y438-V582 HydrophobicContact CG-CG2 4.31Å; L542-V582 PolarHBondContact O-N 3.39Å; E544-V582 CarbonylContact C-O 3.57Å; E544-V582 VanDerWaalsContact CA-O 3.26Å; E544-V582 WeakPolarHBondContact CA-O 3.4Å; E544-V582 PolarHBondContact N-O 2.6Å; V545-V582 PolarHBondContact N-O 3.13Å; V580-V582 HydrophobicContact CG1-CG2 3.94Å |
| 583 | G | 95.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V427 I428 S429 G432 | V427-G583 PolarHBondContact O-N 3.46Å; I428-G583 WeakPolarHBondContact CA-O 3.47Å; S429-G583 PolarHBondContact N-O 2.89Å; S429-G583 VanDerWaalsContact N-O 3.07Å; G432-G583 WeakPolarHBondContact CA-O 3.45Å |
| 584 | V | 92.6 | Very high | 90 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -98.5 | -31.5 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | I428 S429 N433 H546 | I428-V584 WeakPolarHBondContact CG2-O 3.36Å; S429-V584 WeakPolarHBondContact O-CA 3.33Å; N433-V584 WeakPolarHBondContact OD1-CG2 3.44Å; H546-V584 PolarHBondContact CE1-N 2.84Å; H546-V584 PolarHBondContact ND1-N 2.98Å |
| 585 | H | 91.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 29.9 Ų | 29.9 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | trans | -123.2 | 136.4 | -170.1 | -65.5 | -45.3 | 0 | 0 | 0 | 112.1 | H546 I590 E610 R782 | H546-H585 HydrophobicContact CB-CB 4.08Å; H546-H585 AromaticContact CD2-CD2 3.62Å; H546-H585 AromaticContact NE2-CD2 3.94Å; H585-I590 WeakPolarHBondContact O-CD1 3.31Å; H585-E610 IonicContact CE1-OE1 3.65Å; H585-E610 IonicContact CG-OE1 3.01Å; H585-E610 IonicContact ND1-OE1 2.62Å; H585-E610 PolarHBondContact ND1-OE1 3Å; H585-R782 PolarHBondContact CE1-NH1 2.95Å; H585-R782 VanDerWaalsContact CE1-NH1 3.32Å; H585-R782 PolarHBondContact ND1-NH1 2.93Å | ||
| 586 | W | 91.2 | Very high | 92 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | trans | -81.9 | 140.2 | 168.3 | -172.1 | -89.8 | 0 | 0 | 0 | 110.1 | V426 I428 I590 D591 V594 V603 I605 E610 L613 Y614 R782 | V426-W586 HydrophobicContact CG1-CZ3 3.99Å; I428-W586 HydrophobicContact CG1-CE3 3.94Å; W586-I590 HydrophobicContact CD2-CG2 4.5Å; W586-I590 HydrophobicContact CE3-CG2 4.01Å; W586-I590 HydrophobicContact CH2-CG2 3.88Å; W586-I590 HydrophobicContact CZ2-CG2 4.39Å; W586-I590 HydrophobicContact CZ3-CG2 3.69Å; W586-D591 HydrophobicContact CZ2-CB 4.08Å; W586-V594 HydrophobicContact CH2-CG2 4.34Å; W586-V603 HydrophobicContact CZ3-CG1 4.22Å; W586-I605 HydrophobicContact CE3-CD1 4.07Å; W586-I605 HydrophobicContact CZ3-CD1 4.42Å; W586-E610 HydrophobicContact CB-CB 4.35Å; W586-E610 PolarHBondContact N-OE2 2.85Å; W586-L613 HydrophobicContact CB-CB 4.45Å; W586-Y614 HydrophobicContact CD2-CD2 4.27Å; W586-Y614 AromaticContact CE2-CD2 3.9Å; W586-Y614 HydrophobicContact CE3-CD2 4.2Å; W586-Y614 AromaticContact CH2-CD2 3.52Å; W586-Y614 HydrophobicContact CH2-CD2 3.52Å; W586-Y614 AromaticContact CH2-CE2 3.96Å; W586-Y614 HydrophobicContact CH2-CE2 3.96Å; W586-Y614 AromaticContact CZ2-CD2 3.54Å; W586-Y614 HydrophobicContact CZ2-CD2 3.54Å; W586-Y614 HydrophobicContact CZ2-CE2 4.23Å; W586-Y614 AromaticContact CZ3-CD2 3.84Å; W586-Y614 HydrophobicContact CZ3-CD2 3.84Å; W586-Y614 HydrophobicContact CZ3-CE2 4.46Å; W586-R782 PolarHBondContact O-NH2 2.61Å | ||
| 587 | N | 88.6 | Confident | 92.6 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | trans | -151.3 | 169.8 | 175.4 | 71 | 37.1 | 0 | 0 | 0 | 111.1 | H589 I590 D591 | N587-H589 VanDerWaalsContact C-N 3.26Å; N587-H589 PolarHBondContact O-N 2.8Å; N587-H589 WeakPolarHBondContact OD1-CA 3.33Å; N587-H589 WeakPolarHBondContact OD1-CB 3.15Å; N587-H589 PolarHBondContact OD1-N 3.2Å; N587-I590 PolarHBondContact O-N 3.4Å; N587-I590 WeakPolarHBondContact OD1-CG1 3.45Å; N587-I590 PolarHBondContact OD1-N 2.75Å; N587-D591 PolarHBondContact O-N 2.76Å | ||
| 588 | K | 87.7 | Confident | 92.8 | Very high | 147 Ų | 147 | 32.1 Ų | 32.1 | 64% | 0.639 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -61.7 | -26.8 | -179.6 | 66.3 | -177 | 179.1 | -175.4 | 0 | 115 | D591 H592 | K588-D591 WeakPolarHBondContact O-CB 3.33Å; K588-D591 PolarHBondContact O-N 3.25Å; K588-H592 PolarHBondContact O-N 3.49Å |
| 589 | H | 91.8 | Very high | 92.4 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.2 | -33.7 | 178.3 | -60.6 | -79.4 | 0 | 0 | 0 | 111.3 | F549 N553 F557 N587 H592 L593 | F549-H589 HydrophobicContact CB-CB 3.77Å; F549-H589 HydrophobicContact CD1-CB 3.76Å; F549-H589 HydrophobicContact CD2-CB 4.02Å; F549-H589 HydrophobicContact CE1-CB 4.34Å; F549-H589 HydrophobicContact CG-CB 3.58Å; N553-H589 PolarHBondContact OD1-ND1 3.03Å; F557-H589 AromaticContact CZ-ND1 3.95Å; N587-H589 VanDerWaalsContact C-N 3.26Å; N587-H589 PolarHBondContact O-N 2.8Å; N587-H589 WeakPolarHBondContact OD1-CA 3.33Å; N587-H589 WeakPolarHBondContact OD1-CB 3.15Å; N587-H589 PolarHBondContact OD1-N 3.2Å; H589-H592 PolarHBondContact O-N 2.72Å; H589-L593 WeakPolarHBondContact O-CB 3.47Å; H589-L593 PolarHBondContact O-N 3.48Å |
| 590 | I | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -38.2 | 172 | -61.2 | 165.1 | 0 | 0 | 0 | 110.4 | V426 I428 V545 H546 H585 W586 N587 L593 V594 | V426-I590 HydrophobicContact CG1-CG2 3.92Å; I428-I590 HydrophobicContact CD1-CD1 4.2Å; V545-I590 HydrophobicContact CG1-CD1 3.79Å; V545-I590 HydrophobicContact CG1-CG1 4.07Å; V545-I590 HydrophobicContact CG2-CG1 4.23Å; H546-I590 HydrophobicContact CB-CD1 4.48Å; H585-I590 WeakPolarHBondContact O-CD1 3.31Å; W586-I590 HydrophobicContact CD2-CG2 4.5Å; W586-I590 HydrophobicContact CE3-CG2 4.01Å; W586-I590 HydrophobicContact CH2-CG2 3.88Å; W586-I590 HydrophobicContact CZ2-CG2 4.39Å; W586-I590 HydrophobicContact CZ3-CG2 3.69Å; N587-I590 PolarHBondContact O-N 3.4Å; N587-I590 WeakPolarHBondContact OD1-CG1 3.45Å; N587-I590 PolarHBondContact OD1-N 2.75Å; I590-L593 WeakPolarHBondContact O-CB 3.39Å; I590-L593 PolarHBondContact O-N 3.09Å; I590-V594 WeakPolarHBondContact O-CG2 3.36Å; I590-V594 PolarHBondContact O-N 3.41Å |
| 591 | D | 88.8 | Confident | 91.6 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 171.9 | -179.4 | 46.4 | 0 | 0 | 0 | 111.5 | W586 N587 K588 L593 V594 R595 L745 | W586-D591 HydrophobicContact CZ2-CB 4.08Å; N587-D591 PolarHBondContact O-N 2.76Å; K588-D591 WeakPolarHBondContact O-CB 3.33Å; K588-D591 PolarHBondContact O-N 3.25Å; D591-L593 VanDerWaalsContact C-N 3.35Å; D591-L593 PolarHBondContact O-N 3.11Å; D591-V594 PolarHBondContact O-N 3.06Å; D591-R595 VanDerWaalsContact CG-NE 3.33Å; D591-R595 WeakPolarHBondContact O-CG 3.42Å; D591-R595 PolarHBondContact O-N 3.4Å; D591-R595 IonicContact OD1-CZ 3.81Å; D591-R595 IonicContact OD1-NE 3.3Å; D591-R595 PolarHBondContact OD1-NE 3.28Å; D591-R595 IonicContact OD1-NH2 3.04Å; D591-R595 IonicContact OD2-CZ 2.69Å; D591-R595 VanDerWaalsContact OD2-CZ 3.3Å; D591-R595 IonicContact OD2-NE 3.3Å; D591-R595 PolarHBondContact OD2-NE 2.91Å; D591-R595 IonicContact OD2-NH2 3.84Å; D591-R595 PolarHBondContact OD2-NH2 3.42Å; D591-L745 WeakPolarHBondContact OD1-CD1 3.24Å |
| 592 | H | 91.5 | Very high | 91.4 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.6 | -173.8 | 80.8 | 0 | 0 | 0 | 112.6 | F557 K588 H589 V594 R595 E596 | F557-H592 AromaticContact CE1-CD2 3.37Å; F557-H592 WeakPolarHBondContact CE1-CD2 3.39Å; F557-H592 AromaticContact CZ-CD2 3.72Å; K588-H592 PolarHBondContact O-N 3.49Å; H589-H592 PolarHBondContact O-N 2.72Å; H592-V594 VanDerWaalsContact C-N 3.34Å; H592-V594 PolarHBondContact O-N 2.7Å; H592-R595 PolarHBondContact O-N 3.14Å; H592-E596 VanDerWaalsContact CE1-CG 3.42Å; H592-E596 WeakPolarHBondContact CE1-CG 3.41Å; H592-E596 WeakPolarHBondContact O-CB 3.35Å; H592-E596 PolarHBondContact O-N 2.76Å |
| 593 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.1 | -49.2 | 173.1 | 172 | 69.3 | 0 | 0 | 0 | 111.5 | L542 V545 F549 L560 A581 H589 I590 D591 R595 F597 M598 | L542-L593 HydrophobicContact CD1-CD1 4.2Å; L542-L593 HydrophobicContact CD1-CD2 3.81Å; V545-L593 HydrophobicContact CG2-CD2 4.22Å; F549-L593 HydrophobicContact CE2-CB 4.4Å; F549-L593 HydrophobicContact CE2-CD2 4.21Å; F549-L593 HydrophobicContact CZ-CB 4.21Å; L560-L593 HydrophobicContact CD1-CD1 3.65Å; L560-L593 HydrophobicContact CD2-CD1 3.66Å; L560-L593 HydrophobicContact CG-CD1 4.32Å; A581-L593 HydrophobicContact CB-CD2 3.86Å; H589-L593 WeakPolarHBondContact O-CB 3.47Å; H589-L593 PolarHBondContact O-N 3.48Å; I590-L593 WeakPolarHBondContact O-CB 3.39Å; I590-L593 PolarHBondContact O-N 3.09Å; D591-L593 VanDerWaalsContact C-N 3.35Å; D591-L593 PolarHBondContact O-N 3.11Å; L593-R595 VanDerWaalsContact C-N 3.34Å; L593-R595 PolarHBondContact O-N 3.46Å; L593-F597 HydrophobicContact CD1-CB 4.11Å; L593-F597 HydrophobicContact CD1-CD2 4.32Å; L593-F597 HydrophobicContact CD1-CG 4.47Å; L593-F597 WeakPolarHBondContact O-CB 3.2Å; L593-F597 PolarHBondContact O-N 2.84Å; L593-F597 VanDerWaalsContact O-N 3.16Å; L593-M598 HydrophobicContact CD1-CE 4.39Å; L593-M598 HydrophobicContact CD2-CE 3.77Å; L593-M598 HydrophobicContact CG-CE 3.91Å; L593-M598 HydrophobicContact CG-SD 4.46Å; L593-M598 PolarHBondContact O-N 2.83Å |
| 594 | V | 92.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | -178.6 | 163.6 | 0 | 0 | 0 | 0 | 112 | V426 W586 I590 D591 H592 M598 P601 | V426-V594 HydrophobicContact CG2-CG2 3.54Å; W586-V594 HydrophobicContact CH2-CG2 4.34Å; I590-V594 WeakPolarHBondContact O-CG2 3.36Å; I590-V594 PolarHBondContact O-N 3.41Å; D591-V594 PolarHBondContact O-N 3.06Å; H592-V594 VanDerWaalsContact C-N 3.34Å; H592-V594 PolarHBondContact O-N 2.7Å; V594-M598 HydrophobicContact CG2-SD 4.05Å; V594-P601 HydrophobicContact CG1-CG 3.77Å |
| 595 | R | 89.6 | Confident | 91.1 | Very high | 116 Ų | 116 | 46 Ų | 46 | 44% | 0.438 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -79.2 | -43.6 | -176.6 | -67.7 | -178.7 | -166.6 | -147.2 | 27.4 | 113.6 | D591 H592 L593 L745 | D591-R595 VanDerWaalsContact CG-NE 3.33Å; D591-R595 WeakPolarHBondContact O-CG 3.42Å; D591-R595 PolarHBondContact O-N 3.4Å; D591-R595 IonicContact OD1-CZ 3.81Å; D591-R595 IonicContact OD1-NE 3.3Å; D591-R595 PolarHBondContact OD1-NE 3.28Å; D591-R595 IonicContact OD1-NH2 3.04Å; D591-R595 IonicContact OD2-CZ 2.69Å; D591-R595 VanDerWaalsContact OD2-CZ 3.3Å; D591-R595 IonicContact OD2-NE 3.3Å; D591-R595 PolarHBondContact OD2-NE 2.91Å; D591-R595 IonicContact OD2-NH2 3.84Å; D591-R595 PolarHBondContact OD2-NH2 3.42Å; H592-R595 PolarHBondContact O-N 3.14Å; L593-R595 VanDerWaalsContact C-N 3.34Å; L593-R595 PolarHBondContact O-N 3.46Å; R595-L745 VanDerWaalsContact NH2-CB 3.29Å; R595-L745 VanDerWaalsContact NH2-CD2 3.31Å |
| 596 | E | 91.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -94.9 | -24.3 | -168.4 | -66.7 | -56.7 | 135.3 | 0 | 0 | 114.4 | K564 H592 | K564-E596 PolarHBondContact NZ-O 3.44Å; H592-E596 VanDerWaalsContact CE1-CG 3.42Å; H592-E596 WeakPolarHBondContact CE1-CG 3.41Å; H592-E596 WeakPolarHBondContact O-CB 3.35Å; H592-E596 PolarHBondContact O-N 2.76Å |
| 597 | F | 92.5 | Very high | 91.1 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -20.3 | -169.4 | -59.8 | -84 | 0 | 0 | 0 | 114.9 | F557 L560 D561 K564 I579 L593 | F557-F597 HydrophobicContact CD1-CE2 4.09Å; F557-F597 HydrophobicContact CD1-CZ 4.29Å; F557-F597 HydrophobicContact CE1-CE2 4.32Å; L560-F597 HydrophobicContact CB-CD1 3.64Å; L560-F597 HydrophobicContact CB-CD2 4.47Å; L560-F597 HydrophobicContact CB-CE1 3.48Å; L560-F597 VanDerWaalsContact CB-CE1 3.48Å; L560-F597 HydrophobicContact CB-CE2 4.34Å; L560-F597 HydrophobicContact CB-CG 4.14Å; L560-F597 HydrophobicContact CB-CZ 3.84Å; L560-F597 HydrophobicContact CD1-CD2 4.28Å; L560-F597 HydrophobicContact CD1-CE2 4.27Å; D561-F597 WeakPolarHBondContact OD1-CE1 3.25Å; K564-F597 HydrophobicContact CB-CD1 4.36Å; K564-F597 HydrophobicContact CD-CD1 4.18Å; K564-F597 HydrophobicContact CD-CE1 4.36Å; I579-F597 HydrophobicContact CD1-CB 4.15Å; L593-F597 HydrophobicContact CD1-CB 4.11Å; L593-F597 HydrophobicContact CD1-CD2 4.32Å; L593-F597 HydrophobicContact CD1-CG 4.47Å; L593-F597 WeakPolarHBondContact O-CB 3.2Å; L593-F597 PolarHBondContact O-N 2.84Å; L593-F597 VanDerWaalsContact O-N 3.16Å |
| 598 | M | 92.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | trans | -105 | 144.1 | -178.2 | -67.8 | 178.7 | 171.6 | 0 | 0 | 112.4 | D424 V426 I579 A581 L593 V594 P601 | D424-M598 HydrophobicContact CB-CB 4.13Å; D424-M598 HydrophobicContact CB-CG 4.2Å; D424-M598 HydrophobicContact CB-SD 4.48Å; D424-M598 VanDerWaalsContact OD2-CA 3.22Å; D424-M598 WeakPolarHBondContact OD2-CA 3.4Å; D424-M598 WeakPolarHBondContact OD2-CB 3.22Å; V426-M598 HydrophobicContact CG2-CE 3.86Å; V426-M598 HydrophobicContact CG2-SD 3.68Å; I579-M598 HydrophobicContact CB-CE 3.8Å; I579-M598 HydrophobicContact CB-CG 4.27Å; I579-M598 HydrophobicContact CD1-CG 4.35Å; I579-M598 HydrophobicContact CG2-CE 3.43Å; I579-M598 VanDerWaalsContact CG2-CE 3.43Å; A581-M598 HydrophobicContact CB-CE 4.04Å; L593-M598 HydrophobicContact CD1-CE 4.39Å; L593-M598 HydrophobicContact CD2-CE 3.77Å; L593-M598 HydrophobicContact CG-CE 3.91Å; L593-M598 HydrophobicContact CG-SD 4.46Å; L593-M598 PolarHBondContact O-N 2.83Å; V594-M598 HydrophobicContact CG2-SD 4.05Å; M598-P601 HydrophobicContact CB-CB 3.87Å; M598-P601 HydrophobicContact CB-CG 3.74Å; M598-P601 HydrophobicContact CG-CB 4.38Å; M598-P601 HydrophobicContact SD-CB 3.72Å; M598-P601 HydrophobicContact SD-CG 4.16Å | ||
| 599 | K | 85.8 | Confident | 91.3 | Very high | 184 Ų | 184 | 37.9 Ų | 37.9 | 80% | 0.8 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -107.1 | 110.3 | 177.5 | -174.5 | -179.7 | -180 | -180 | 0 | 110.5 | D424 | D424-K599 PolarHBondContact OD2-N 2.62Š|
| 600 | D | 86.8 | Confident | 91.3 | Very high | 113 Ų | 113 | 35.6 Ų | 35.6 | 60% | 0.604 | 17% | 0.167 | S | C | * | . | S | Bend | trans | 46.5 | 57.4 | -176.4 | -170.9 | 28 | 0 | 0 | 0 | 113.6 | N379 | N379-D600 PolarHBondContact ND2-OD1 3.34Š|
| 601 | P | 91.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | trans | -70.7 | 137.8 | -174.4 | 26.4 | -32.6 | 0 | 0 | 0 | 112.5 | D424 V594 M598 V603 | D424-P601 HydrophobicContact CB-CB 3.9Å; D424-P601 WeakPolarHBondContact O-CA 3.35Å; V594-P601 HydrophobicContact CG1-CG 3.77Å; M598-P601 HydrophobicContact CB-CB 3.87Å; M598-P601 HydrophobicContact CB-CG 3.74Å; M598-P601 HydrophobicContact CG-CB 4.38Å; M598-P601 HydrophobicContact SD-CB 3.72Å; M598-P601 HydrophobicContact SD-CG 4.16Å; P601-V603 PolarHBondContact O-N 3.47Å | ||
| 602 | C | 92.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.9 | 166.8 | -73.1 | 0 | 0 | 0 | 0 | 109.6 | I381 P418 D424 M425 V426 | I381-C602 HydrophobicContact CD1-CB 4.19Å; P418-C602 HydrophobicContact CB-CB 4.15Å; P418-C602 HydrophobicContact CG-CB 4.33Å; D424-C602 PolarHBondContact O-N 3.18Å; M425-C602 CarbonylContact C-O 3.56Å; M425-C602 WeakPolarHBondContact CA-O 2.97Å; M425-C602 HydrophobicContact CE-CB 4.46Å; M425-C602 HydrophobicContact SD-CB 3.37Å; M425-C602 WeakPolarHBondContact SD-CB 3.22Å; V426-C602 PolarHBondContact N-O 2.81Å |
| 603 | V | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.6 | 176 | -176 | 0 | 0 | 0 | 0 | 109.3 | L377 R378 V426 W586 P601 I605 Y614 | L377-V603 WeakPolarHBondContact CA-O 3.46Å; R378-V603 HydrophobicContact CB-CB 3.94Å; R378-V603 HydrophobicContact CB-CG2 4.27Å; R378-V603 PolarHBondContact N-O 2.9Å; R378-V603 VanDerWaalsContact N-O 3.15Å; V426-V603 HydrophobicContact CB-CG1 4.46Å; V426-V603 HydrophobicContact CB-CG2 4.36Å; V426-V603 WeakPolarHBondContact O-CA 3.48Å; W586-V603 HydrophobicContact CZ3-CG1 4.22Å; P601-V603 PolarHBondContact O-N 3.47Å; V603-I605 HydrophobicContact CG1-CD1 4.04Å; V603-I605 HydrophobicContact CG1-CG1 3.87Å; V603-Y614 HydrophobicContact CG1-CE2 4.26Å |
| 604 | V | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.6 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 109 | V375 L377 I381 M425 V426 V427 I428 T606 | V375-V604 HydrophobicContact CG2-CG1 4.21Å; L377-V604 HydrophobicContact CD2-CB 4.25Å; L377-V604 HydrophobicContact CD2-CG1 4.25Å; L377-V604 HydrophobicContact CD2-CG2 3.62Å; I381-V604 HydrophobicContact CD1-CG2 3.73Å; M425-V604 HydrophobicContact CE-CB 3.65Å; M425-V604 HydrophobicContact CE-CG2 3.15Å; V426-V604 PolarHBondContact O-N 3.29Å; V427-V604 WeakPolarHBondContact CA-O 3.38Å; I428-V604 PolarHBondContact N-O 3.35Å; V604-T606 HydrophobicContact CG1-CG2 4.15Å |
| 605 | I | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.1 | 175.8 | -51.1 | -179.8 | 0 | 0 | 0 | 108.8 | V376 I428 W586 V603 A607 E610 A611 Y614 | V376-I605 HydrophobicContact CB-CB 4.36Å; V376-I605 PolarHBondContact N-O 2.91Å; V376-I605 PolarHBondContact O-N 2.93Å; I428-I605 HydrophobicContact CB-CG1 4.2Å; I428-I605 HydrophobicContact CB-CG2 4.15Å; I428-I605 HydrophobicContact CG2-CG2 4.33Å; I428-I605 WeakPolarHBondContact O-CA 3.26Å; W586-I605 HydrophobicContact CE3-CD1 4.07Å; W586-I605 HydrophobicContact CZ3-CD1 4.42Å; V603-I605 HydrophobicContact CG1-CD1 4.04Å; V603-I605 HydrophobicContact CG1-CG1 3.87Å; I605-A607 WeakPolarHBondContact CG2-O 3.49Å; I605-E610 HydrophobicContact CG2-CB 4.23Å; I605-A611 HydrophobicContact CB-CB 4.28Å; I605-A611 HydrophobicContact CG2-CB 3.8Å; I605-Y614 VanDerWaalsContact CD1-CB 3.49Å; I605-Y614 HydrophobicContact CD1-CD1 4.08Å; I605-Y614 HydrophobicContact CD1-CD2 4.05Å; I605-Y614 HydrophobicContact CD1-CG 3.6Å |
| 606 | T | 92.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | trans | -105.4 | -8.8 | 175.6 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | V375 T411 I428 S429 V604 | V375-T606 HydrophobicContact CB-CG2 4.48Å; V375-T606 HydrophobicContact CG2-CG2 3.91Å; T411-T606 HydrophobicContact CG2-CG2 4.32Å; T411-T606 PolarHBondContact OG1-OG1 2.93Å; I428-T606 PolarHBondContact O-N 2.85Å; S429-T606 WeakPolarHBondContact CB-OG1 3.19Å; S429-T606 PolarHBondContact OG-OG1 2.85Å; V604-T606 HydrophobicContact CG1-CG2 4.15Å | ||
| 607 | A | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -88.1 | 101.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | I605 E609 E610 A611 | I605-A607 WeakPolarHBondContact CG2-O 3.49Å; A607-E609 VanDerWaalsContact C-N 3.32Å; A607-E609 PolarHBondContact O-N 2.91Å; A607-E610 HydrophobicContact CB-CB 4.07Å; A607-E610 HydrophobicContact CB-CG 3.77Å; A607-E610 WeakPolarHBondContact O-CB 3.44Å; A607-E610 PolarHBondContact O-N 3.32Å; A607-E610 VanDerWaalsContact O-N 3.1Å; A607-A611 PolarHBondContact O-N 3.07Å; A607-A611 VanDerWaalsContact O-N 3.13Å | ||
| 608 | L | 89.9 | Confident | 90.5 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 14% | 0.141 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.8 | -29.5 | -166.7 | -61.7 | -177.8 | 0 | 0 | 0 | 113.4 | E610 A611 A612 G732 Y736 | L608-E610 VanDerWaalsContact C-N 3.27Å; L608-E610 PolarHBondContact O-N 2.85Å; L608-A611 WeakPolarHBondContact O-CB 3.32Å; L608-A611 PolarHBondContact O-N 3.13Å; L608-A612 PolarHBondContact O-N 3.08Å; L608-G732 WeakPolarHBondContact CB-O 3.49Å; L608-Y736 HydrophobicContact CD1-CD2 4.38Å; L608-Y736 HydrophobicContact CD1-CG 4.13Å; L608-Y736 HydrophobicContact CD2-CD2 3.65Å; L608-Y736 HydrophobicContact CD2-CE2 4.08Å; L608-Y736 HydrophobicContact CD2-CG 4.24Å; L608-Y736 HydrophobicContact CG-CD2 4.47Å |
| 609 | E | 89.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.5 | -26.2 | 174.4 | 68 | -71 | 170.2 | 0 | 0 | 113 | F346 H430 A607 L735 Y779 | F346-E609 HydrophobicContact CD2-CG 4.25Å; F346-E609 HydrophobicContact CE1-CG 3.95Å; F346-E609 HydrophobicContact CE2-CG 3.43Å; F346-E609 VanDerWaalsContact CE2-CG 3.43Å; F346-E609 WeakPolarHBondContact CE2-OE1 3.46Å; F346-E609 HydrophobicContact CZ-CB 4.32Å; F346-E609 HydrophobicContact CZ-CG 3.27Å; H430-E609 IonicContact CE1-OE1 2.79Å; H430-E609 PolarHBondContact CE1-OE1 2.96Å; H430-E609 IonicContact CE1-OE2 2.67Å; H430-E609 IonicContact ND1-OE1 3.6Å; H430-E609 IonicContact NE2-OE1 2.63Å; H430-E609 PolarHBondContact NE2-OE1 3.12Å; H430-E609 IonicContact NE2-OE2 2.78Å; A607-E609 VanDerWaalsContact C-N 3.32Å; A607-E609 PolarHBondContact O-N 2.91Å; E609-L735 HydrophobicContact CB-CD1 4.35Å; E609-Y779 PolarHBondContact O-OH 2.63Å |
| 610 | E | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -78.7 | -31.5 | 171.5 | -60.8 | -66.7 | 165.6 | 0 | 0 | 111.2 | F346 I428 H585 W586 I605 A607 L608 A612 L613 Y614 R782 | F346-E610 HydrophobicContact CE2-CG 4.48Å; F346-E610 VanDerWaalsContact CE2-OE1 3.25Å; F346-E610 WeakPolarHBondContact CE2-OE1 3.32Å; I428-E610 HydrophobicContact CG2-CB 3.83Å; I428-E610 HydrophobicContact CG2-CG 4.03Å; H585-E610 IonicContact CE1-OE1 3.65Å; H585-E610 IonicContact CG-OE1 3.01Å; H585-E610 IonicContact ND1-OE1 2.62Å; H585-E610 PolarHBondContact ND1-OE1 3Å; W586-E610 HydrophobicContact CB-CB 4.35Å; W586-E610 PolarHBondContact N-OE2 2.85Å; I605-E610 HydrophobicContact CG2-CB 4.23Å; A607-E610 HydrophobicContact CB-CB 4.07Å; A607-E610 HydrophobicContact CB-CG 3.77Å; A607-E610 WeakPolarHBondContact O-CB 3.44Å; A607-E610 PolarHBondContact O-N 3.32Å; A607-E610 VanDerWaalsContact O-N 3.1Å; L608-E610 VanDerWaalsContact C-N 3.27Å; L608-E610 PolarHBondContact O-N 2.85Å; E610-A612 PolarHBondContact O-N 2.9Å; E610-L613 WeakPolarHBondContact O-CB 2.91Å; E610-L613 PolarHBondContact O-N 2.84Å; E610-Y614 PolarHBondContact O-N 3.11Å; E610-R782 IonicContact OE1-CZ 3.71Å; E610-R782 IonicContact OE1-NH1 3.89Å; E610-R782 PolarHBondContact OE1-NH1 3.27Å; E610-R782 IonicContact OE1-NH2 3.55Å; E610-R782 PolarHBondContact OE1-NH2 3.42Å; E610-R782 IonicContact OE2-CZ 2.79Å; E610-R782 IonicContact OE2-NH2 3.02Å; E610-R782 PolarHBondContact OE2-NH2 3.09Å |
| 611 | A | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -30.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V376 I605 A607 L608 L613 Y614 G615 F742 | V376-A611 HydrophobicContact CB-CB 3.99Å; V376-A611 HydrophobicContact CG2-CB 3.62Å; I605-A611 HydrophobicContact CB-CB 4.28Å; I605-A611 HydrophobicContact CG2-CB 3.8Å; A607-A611 PolarHBondContact O-N 3.07Å; A607-A611 VanDerWaalsContact O-N 3.13Å; L608-A611 WeakPolarHBondContact O-CB 3.32Å; L608-A611 PolarHBondContact O-N 3.13Å; A611-L613 VanDerWaalsContact C-N 3.33Å; A611-Y614 WeakPolarHBondContact O-CB 3.46Å; A611-Y614 PolarHBondContact O-N 3Å; A611-G615 PolarHBondContact O-N 2.96Å; A611-F742 HydrophobicContact CB-CD2 4.36Å; A611-F742 HydrophobicContact CB-CE2 3.92Å |
| 612 | A | 90 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.4 | -35.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L608 E610 G615 S616 V617 L735 F742 | L608-A612 PolarHBondContact O-N 3.08Å; E610-A612 PolarHBondContact O-N 2.9Å; A612-G615 CarbonylContact O-C 3.55Å; A612-G615 PolarHBondContact O-N 3.26Å; A612-S616 PolarHBondContact O-N 3.32Å; A612-V617 HydrophobicContact CB-CB 4.28Å; A612-V617 HydrophobicContact CB-CG2 4Å; A612-V617 WeakPolarHBondContact O-CB 3.37Å; A612-V617 VanDerWaalsContact O-CG2 3.32Å; A612-V617 WeakPolarHBondContact O-CG2 3.38Å; A612-V617 PolarHBondContact O-N 3.01Å; A612-L735 HydrophobicContact CB-CB 3.88Å; A612-L735 HydrophobicContact CB-CD1 3.76Å; A612-L735 HydrophobicContact CB-CG 4.27Å; A612-F742 HydrophobicContact CB-CZ 4.27Å |
| 613 | L | 90.1 | Very high | 91 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 9% | 0.094 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.2 | -41.4 | 174.5 | -58.3 | -176.9 | 0 | 0 | 0 | 110.9 | W586 E610 A611 G615 S616 Y779 A783 | W586-L613 HydrophobicContact CB-CB 4.45Å; E610-L613 WeakPolarHBondContact O-CB 2.91Å; E610-L613 PolarHBondContact O-N 2.84Å; A611-L613 VanDerWaalsContact C-N 3.33Å; L613-G615 VanDerWaalsContact C-N 3.31Å; L613-G615 PolarHBondContact O-N 2.96Å; L613-S616 PolarHBondContact O-N 2.85Å; L613-Y779 HydrophobicContact CD1-CE2 3.95Å; L613-Y779 HydrophobicContact CD2-CE2 4.03Å; L613-Y779 HydrophobicContact CG-CE2 4.09Å; L613-A783 HydrophobicContact CD2-CB 3.53Å |
| 614 | Y | 89.7 | Confident | 90.9 | Very high | 15 Ų | 15 | 20.1 Ų | 20.1 | 6% | 0.059 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 170.5 | 169 | -99.2 | 0 | 0 | 0 | 111.6 | V376 W586 V603 I605 E610 A611 S616 | V376-Y614 HydrophobicContact CG1-CD1 4.32Å; V376-Y614 HydrophobicContact CG1-CE1 4.34Å; W586-Y614 HydrophobicContact CD2-CD2 4.27Å; W586-Y614 AromaticContact CE2-CD2 3.9Å; W586-Y614 HydrophobicContact CE3-CD2 4.2Å; W586-Y614 AromaticContact CH2-CD2 3.52Å; W586-Y614 HydrophobicContact CH2-CD2 3.52Å; W586-Y614 AromaticContact CH2-CE2 3.96Å; W586-Y614 HydrophobicContact CH2-CE2 3.96Å; W586-Y614 AromaticContact CZ2-CD2 3.54Å; W586-Y614 HydrophobicContact CZ2-CD2 3.54Å; W586-Y614 HydrophobicContact CZ2-CE2 4.23Å; W586-Y614 AromaticContact CZ3-CD2 3.84Å; W586-Y614 HydrophobicContact CZ3-CD2 3.84Å; W586-Y614 HydrophobicContact CZ3-CE2 4.46Å; V603-Y614 HydrophobicContact CG1-CE2 4.26Å; I605-Y614 VanDerWaalsContact CD1-CB 3.49Å; I605-Y614 HydrophobicContact CD1-CD1 4.08Å; I605-Y614 HydrophobicContact CD1-CD2 4.05Å; I605-Y614 HydrophobicContact CD1-CG 3.6Å; E610-Y614 PolarHBondContact O-N 3.11Å; A611-Y614 WeakPolarHBondContact O-CB 3.46Å; A611-Y614 PolarHBondContact O-N 3Å; Y614-S616 PolarHBondContact O-N 2.81Å; Y614-S616 VanDerWaalsContact O-N 3.15Å |
| 615 | G | 88 | Confident | 90.7 | Very high | 4 Ų | 4 | 24 Ų | 24 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A611 A612 L613 V617 | A611-G615 PolarHBondContact O-N 2.96Å; A612-G615 CarbonylContact O-C 3.55Å; A612-G615 PolarHBondContact O-N 3.26Å; L613-G615 VanDerWaalsContact C-N 3.31Å; L613-G615 PolarHBondContact O-N 2.96Å; G615-V617 VanDerWaalsContact C-N 3.27Å; G615-V617 PolarHBondContact O-N 3.21Å |
| 616 | S | 87.5 | Confident | 90.5 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.7 | -179.7 | -57 | 0 | 0 | 0 | 0 | 114.3 | A612 L613 Y614 Q618 | A612-S616 PolarHBondContact O-N 3.32Å; L613-S616 PolarHBondContact O-N 2.85Å; Y614-S616 PolarHBondContact O-N 2.81Å; Y614-S616 VanDerWaalsContact O-N 3.15Å; S616-Q618 PolarHBondContact O-N 3.18Å |
| 617 | V | 89.3 | Confident | 90.4 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | trans | -64 | 126.9 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | A612 G615 Q619 M738 F742 | A612-V617 HydrophobicContact CB-CB 4.28Å; A612-V617 HydrophobicContact CB-CG2 4Å; A612-V617 WeakPolarHBondContact O-CB 3.37Å; A612-V617 VanDerWaalsContact O-CG2 3.32Å; A612-V617 WeakPolarHBondContact O-CG2 3.38Å; A612-V617 PolarHBondContact O-N 3.01Å; G615-V617 VanDerWaalsContact C-N 3.27Å; G615-V617 PolarHBondContact O-N 3.21Å; V617-Q619 PolarHBondContact O-N 2.96Å; V617-Q619 PolarHBondContact O-NE2 2.78Å; V617-M738 HydrophobicContact CG1-CE 3.65Å; V617-M738 HydrophobicContact CG1-SD 4.29Å; V617-M738 HydrophobicContact CG2-CE 4.23Å; V617-F742 HydrophobicContact CG2-CD1 4.21Å; V617-F742 HydrophobicContact CG2-CE1 3.53Å; V617-F742 HydrophobicContact CG2-CZ 4.35Å | ||
| 618 | Q | 91.4 | Very high | 90.4 | Very high | 82 Ų | 82 | 34.1 Ų | 34.1 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 114.4 | 177.1 | -174.7 | -178.5 | 10.2 | 0 | 0 | 110.3 | S616 V620 T759 K760 S761 | S616-Q618 PolarHBondContact O-N 3.18Å; Q618-V620 HydrophobicContact CG-CG2 4.08Å; Q618-T759 WeakPolarHBondContact CB-O 3.13Å; Q618-T759 PolarHBondContact N-O 2.78Å; Q618-K760 HydrophobicContact CB-CG 4.35Å; Q618-S761 PolarHBondContact O-N 3.17Å |
| 619 | Q | 91.5 | Very high | 90.5 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.1 | 176 | -53.9 | -60.3 | -38.2 | 0 | 0 | 110.2 | V617 S761 Y779 L780 A783 A785 | V617-Q619 PolarHBondContact O-N 2.96Å; V617-Q619 PolarHBondContact O-NE2 2.78Å; Q619-S761 PolarHBondContact OE1-OG 2.8Å; Q619-Y779 HydrophobicContact CG-CE1 3.79Å; Q619-L780 HydrophobicContact CB-CD2 3.61Å; Q619-A783 HydrophobicContact CB-CB 4.35Å; Q619-A783 HydrophobicContact CG-CB 3.84Å; Q619-A785 HydrophobicContact CB-CB 4.22Å; Q619-A785 WeakPolarHBondContact O-CB 3.23Å |
| 620 | V | 92.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.3 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | Q618 S761 V762 L763 | Q618-V620 HydrophobicContact CG-CG2 4.08Å; V620-S761 PolarHBondContact N-O 3.41Å; V620-V762 HydrophobicContact CB-CG2 4.33Å; V620-V762 CarbonylContact O-C 3.55Å; V620-V762 WeakPolarHBondContact O-CA 3.3Å; V620-L763 PolarHBondContact O-N 3.06Å |
| 621 | V | 92.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.8 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | L763 L765 I776 L780 | V621-L763 WeakPolarHBondContact CA-O 3.3Å; V621-L763 HydrophobicContact CG2-CB 4.19Å; V621-L763 HydrophobicContact CG2-CD2 4.21Å; V621-L765 HydrophobicContact CG1-CB 3.99Å; V621-L765 HydrophobicContact CG1-CD2 4.37Å; V621-I776 HydrophobicContact CG2-CG2 3.85Å; V621-L780 HydrophobicContact CB-CD1 4.15Å; V621-L780 HydrophobicContact CG2-CD1 3.58Å; V621-L780 HydrophobicContact CG2-CD2 3.95Å; V621-L780 HydrophobicContact CG2-CG 4.19Å |
| 622 | H | 91.8 | Very high | 90.8 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.1 | 169.8 | -71.2 | -83.6 | 0 | 0 | 0 | 109.5 | T632 L763 L764 L765 | H622-T632 HydrophobicContact CB-CG2 3.92Å; H622-L763 PolarHBondContact N-O 3.13Å; H622-L764 HydrophobicContact CB-CD2 3.95Å; H622-L765 PolarHBondContact O-N 2.83Å |
| 623 | L | 91 | Very high | 90.9 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.4 | 169.5 | -71.7 | 162.1 | 0 | 0 | 0 | 108.5 | L765 E790 L791 F794 | L623-L765 WeakPolarHBondContact CA-O 3.31Å; L623-L765 HydrophobicContact CD2-CB 4.19Å; L623-L765 HydrophobicContact CD2-CD2 3.82Å; L623-L765 HydrophobicContact CD2-CG 4.09Å; L623-E790 HydrophobicContact CD1-CB 3.69Å; L623-L791 HydrophobicContact CD1-CB 3.96Å; L623-L791 HydrophobicContact CD1-CD1 4.33Å; L623-L791 HydrophobicContact CD2-CD1 4.06Å; L623-L791 HydrophobicContact CG-CD1 4.5Å; L623-F794 HydrophobicContact CD2-CD1 4.15Å; L623-F794 HydrophobicContact CD2-CE1 4.49Å |
| 624 | C | 91 | Very high | 91 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.095 | 22% | 0.221 | C | C | . | . | trans | -150.3 | 161.8 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | E628 T632 L765 T766 | C624-E628 HydrophobicContact CB-CB 4.34Å; C624-T632 HydrophobicContact CB-CG2 4.28Å; C624-T632 WeakPolarHBondContact CB-OG1 3.02Å; C624-L765 PolarHBondContact N-O 3.39Å; C624-L765 VanDerWaalsContact N-O 3.08Å; C624-T766 VanDerWaalsContact O-CA 3.28Å; C624-T766 WeakPolarHBondContact O-CA 3.25Å; C624-T766 WeakPolarHBondContact O-CB 3.49Å; C624-T766 VanDerWaalsContact O-CG2 3.31Å; C624-T766 WeakPolarHBondContact O-CG2 3.46Å | ||
| 625 | L | 90.1 | Very high | 91 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | trans | -76.2 | 155.5 | 169.9 | -63.2 | 175.4 | 0 | 0 | 0 | 110.5 | C627 E628 K629 E767 | L625-C627 PolarHBondContact O-N 3.26Å; L625-C627 VanDerWaalsContact O-N 3.16Å; L625-E628 HydrophobicContact CB-CB 4.46Å; L625-E628 HydrophobicContact CB-CG 4.16Å; L625-E628 PolarHBondContact N-OE2 3.2Å; L625-E628 PolarHBondContact O-N 3.09Å; L625-K629 PolarHBondContact O-N 2.8Å; L625-E767 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 626 | E | 89.1 | Confident | 91 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -55.1 | -36.7 | 178 | -167.6 | 67.7 | -161.5 | 0 | 0 | 112.8 | E628 K629 T766 E767 | E626-E628 VanDerWaalsContact C-N 3.26Å; E626-E628 PolarHBondContact O-N 3.5Å; E626-K629 VanDerWaalsContact CD-CE 3.44Å; E626-K629 WeakPolarHBondContact OE1-CE 3.44Å; E626-K629 IonicContact OE1-NZ 2.99Å; E626-K629 PolarHBondContact OE1-NZ 3.23Å; E626-K629 WeakPolarHBondContact OE2-CE 3.35Å; E626-K629 IonicContact OE2-NZ 3.73Å; E626-K629 PolarHBondContact OE2-NZ 2.88Å; E626-T766 WeakPolarHBondContact OE2-CB 3.24Å; E626-T766 PolarHBondContact OE2-OG1 2.96Å; E626-E767 WeakPolarHBondContact CB-OE1 3.5Å; E626-E767 PolarHBondContact N-OE1 3.19Å; E626-E767 PolarHBondContact N-OE2 3.13Å; E626-E767 VanDerWaalsContact N-OE2 3.17Å |
| 627 | C | 89.3 | Confident | 91 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -71.4 | -16.6 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | L625 | L625-C627 PolarHBondContact O-N 3.26Å; L625-C627 VanDerWaalsContact O-N 3.16Å |
| 628 | E | 91.9 | Very high | 90.6 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -102.2 | -0.4 | -176.9 | -63.8 | 174.4 | 157 | 0 | 0 | 112.8 | C624 L625 E626 T630 S631 T632 | C624-E628 HydrophobicContact CB-CB 4.34Å; L625-E628 HydrophobicContact CB-CB 4.46Å; L625-E628 HydrophobicContact CB-CG 4.16Å; L625-E628 PolarHBondContact N-OE2 3.2Å; L625-E628 PolarHBondContact O-N 3.09Å; E626-E628 VanDerWaalsContact C-N 3.26Å; E626-E628 PolarHBondContact O-N 3.5Å; E628-T630 VanDerWaalsContact C-N 3.25Å; E628-T630 PolarHBondContact O-N 2.86Å; E628-S631 PolarHBondContact O-N 3.11Å; E628-S631 PolarHBondContact O-OG 2.86Å; E628-T632 WeakPolarHBondContact O-CB 2.78Å; E628-T632 PolarHBondContact O-N 3.1Å; E628-T632 PolarHBondContact O-OG1 2.67Å |
| 629 | K | 91.9 | Very high | 90 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.8 | -42.9 | -179.3 | -80.8 | -174.2 | 171.3 | 171.6 | 0 | 112.7 | L625 E626 T632 L633 F722 T766 | L625-K629 PolarHBondContact O-N 2.8Å; E626-K629 VanDerWaalsContact CD-CE 3.44Å; E626-K629 WeakPolarHBondContact OE1-CE 3.44Å; E626-K629 IonicContact OE1-NZ 2.99Å; E626-K629 PolarHBondContact OE1-NZ 3.23Å; E626-K629 WeakPolarHBondContact OE2-CE 3.35Å; E626-K629 IonicContact OE2-NZ 3.73Å; E626-K629 PolarHBondContact OE2-NZ 2.88Å; K629-T632 PolarHBondContact O-N 3.31Å; K629-L633 VanDerWaalsContact O-CB 3.31Å; K629-L633 WeakPolarHBondContact O-CB 3.16Å; K629-L633 PolarHBondContact O-N 2.99Å; K629-F722 HydrophobicContact CB-CE1 4.46Å; K629-F722 HydrophobicContact CB-CE2 3.71Å; K629-F722 HydrophobicContact CB-CZ 3.66Å; K629-F722 HydrophobicContact CD-CE1 4.17Å; K629-F722 HydrophobicContact CD-CZ 4.18Å; K629-T766 HydrophobicContact CD-CG2 4.16Å; K629-T766 HydrophobicContact CG-CG2 3.87Å |
| 630 | T | 92.3 | Very high | 89.1 | Confident | 50 Ų | 50 | 55 Ų | 55 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | -177.8 | -53 | 0 | 0 | 0 | 0 | 112.2 | E628 L633 L634 V663 | E628-T630 VanDerWaalsContact C-N 3.25Å; E628-T630 PolarHBondContact O-N 2.86Å; T630-L633 PolarHBondContact O-N 3.1Å; T630-L634 WeakPolarHBondContact O-CG 3.33Å; T630-L634 PolarHBondContact O-N 2.83Å; T630-V663 HydrophobicContact CG2-CB 4.13Å; T630-V663 HydrophobicContact CG2-CG1 3.56Å; T630-V663 HydrophobicContact CG2-CG2 3.7Å |
| 631 | S | 92.4 | Very high | 88.5 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.5 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | E628 L634 Q635 | E628-S631 PolarHBondContact O-N 3.11Å; E628-S631 PolarHBondContact O-OG 2.86Å; S631-L634 PolarHBondContact O-N 2.88Å; S631-Q635 WeakPolarHBondContact O-CG 3.31Å; S631-Q635 PolarHBondContact O-N 3.42Å; S631-Q635 VanDerWaalsContact O-N 3.1Å |
| 632 | T | 92.7 | Very high | 87.6 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | H622 C624 E628 K629 L634 Q635 V636 L764 | H622-T632 HydrophobicContact CB-CG2 3.92Å; C624-T632 HydrophobicContact CB-CG2 4.28Å; C624-T632 WeakPolarHBondContact CB-OG1 3.02Å; E628-T632 WeakPolarHBondContact O-CB 2.78Å; E628-T632 PolarHBondContact O-N 3.1Å; E628-T632 PolarHBondContact O-OG1 2.67Å; K629-T632 PolarHBondContact O-N 3.31Å; T632-L634 VanDerWaalsContact C-N 3.31Å; T632-L634 PolarHBondContact O-N 2.92Å; T632-Q635 WeakPolarHBondContact O-CB 3.34Å; T632-Q635 PolarHBondContact O-N 2.87Å; T632-Q635 VanDerWaalsContact O-N 3.14Å; T632-V636 WeakPolarHBondContact O-CG2 3.02Å; T632-V636 PolarHBondContact O-N 3.29Å; T632-L764 HydrophobicContact CG2-CD2 3.85Å |
| 633 | L | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.2 | -45.9 | 173.8 | 173.7 | 65.9 | 0 | 0 | 0 | 111.4 | K629 T630 Q635 V636 L637 I649 V660 V664 V720 F722 L764 | K629-L633 VanDerWaalsContact O-CB 3.31Å; K629-L633 WeakPolarHBondContact O-CB 3.16Å; K629-L633 PolarHBondContact O-N 2.99Å; T630-L633 PolarHBondContact O-N 3.1Å; L633-Q635 VanDerWaalsContact C-N 3.3Å; L633-Q635 PolarHBondContact O-N 3.44Å; L633-V636 WeakPolarHBondContact O-CB 3.3Å; L633-V636 PolarHBondContact O-N 3.09Å; L633-V636 VanDerWaalsContact O-N 3.13Å; L633-L637 HydrophobicContact CD1-CD1 4.31Å; L633-L637 HydrophobicContact CD1-CG 4.27Å; L633-L637 HydrophobicContact CG-CD1 4.2Å; L633-L637 WeakPolarHBondContact O-CG 3.25Å; L633-L637 PolarHBondContact O-N 3.44Å; L633-I649 HydrophobicContact CD1-CD1 4Å; L633-I649 HydrophobicContact CD1-CG2 4.48Å; L633-I649 HydrophobicContact CD2-CD1 4.23Å; L633-V660 HydrophobicContact CD2-CG1 3.73Å; L633-V664 HydrophobicContact CD2-CG2 4.39Å; L633-V720 HydrophobicContact CD1-CB 4.5Å; L633-V720 HydrophobicContact CD1-CG1 3.74Å; L633-F722 HydrophobicContact CB-CD2 4.18Å; L633-F722 HydrophobicContact CB-CE2 4.23Å; L633-F722 HydrophobicContact CD2-CD2 3.86Å; L633-F722 HydrophobicContact CD2-CE2 4.05Å; L633-F722 HydrophobicContact CG-CD2 4.42Å; L633-L764 HydrophobicContact CB-CD1 4.44Å |
| 634 | L | 91.3 | Very high | 86.6 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -31.7 | 178.5 | -68.4 | 174.7 | 0 | 0 | 0 | 112.6 | T630 S631 T632 V636 F639 V663 N667 | T630-L634 WeakPolarHBondContact O-CG 3.33Å; T630-L634 PolarHBondContact O-N 2.83Å; S631-L634 PolarHBondContact O-N 2.88Å; T632-L634 VanDerWaalsContact C-N 3.31Å; T632-L634 PolarHBondContact O-N 2.92Å; L634-V636 VanDerWaalsContact C-N 3.3Å; L634-F639 HydrophobicContact CB-CZ 4.34Å; L634-F639 HydrophobicContact CD2-CE1 4.46Å; L634-F639 HydrophobicContact CD2-CZ 4.04Å; L634-F639 WeakPolarHBondContact O-CE2 3.47Å; L634-F639 WeakPolarHBondContact O-CZ 3.38Å; L634-V663 HydrophobicContact CD1-CG1 3.93Å; L634-V663 HydrophobicContact CD2-CG1 4Å; L634-V663 HydrophobicContact CG-CG1 4.11Å; L634-N667 HydrophobicContact CD2-CB 4.21Å; L634-N667 WeakPolarHBondContact CD2-ND2 3.44Å |
| 635 | Q | 89.4 | Confident | 86.4 | Confident | 154 Ų | 154 | 58 Ų | 58 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.1 | -27.5 | 173.3 | -68.8 | 171.4 | 1.3 | 0 | 0 | 112.9 | S631 T632 L633 | S631-Q635 WeakPolarHBondContact O-CG 3.31Å; S631-Q635 PolarHBondContact O-N 3.42Å; S631-Q635 VanDerWaalsContact O-N 3.1Å; T632-Q635 WeakPolarHBondContact O-CB 3.34Å; T632-Q635 PolarHBondContact O-N 2.87Å; T632-Q635 VanDerWaalsContact O-N 3.14Å; L633-Q635 VanDerWaalsContact C-N 3.3Å; L633-Q635 PolarHBondContact O-N 3.44Å |
| 636 | V | 88.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.4 | -33.7 | 180 | 166.2 | 0 | 0 | 0 | 0 | 112.1 | T632 L633 L634 V720 V762 | T632-V636 WeakPolarHBondContact O-CG2 3.02Å; T632-V636 PolarHBondContact O-N 3.29Å; L633-V636 WeakPolarHBondContact O-CB 3.3Å; L633-V636 PolarHBondContact O-N 3.09Å; L633-V636 VanDerWaalsContact O-N 3.13Å; L634-V636 VanDerWaalsContact C-N 3.3Å; V636-V720 HydrophobicContact CG1-CG2 4.37Å; V636-V762 HydrophobicContact CG1-CB 4.03Å; V636-V762 HydrophobicContact CG1-CG1 3.71Å; V636-V762 HydrophobicContact CG1-CG2 3.87Å; V636-V762 HydrophobicContact CG2-CG1 3.99Å |
| 637 | L | 88.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -71.5 | 133.3 | -179.9 | -67.5 | 173.6 | 0 | 0 | 0 | 110.6 | L633 T647 I649 V664 I669 V700 | L633-L637 HydrophobicContact CD1-CD1 4.31Å; L633-L637 HydrophobicContact CD1-CG 4.27Å; L633-L637 HydrophobicContact CG-CD1 4.2Å; L633-L637 WeakPolarHBondContact O-CG 3.25Å; L633-L637 PolarHBondContact O-N 3.44Å; L637-T647 HydrophobicContact CD2-CG2 4.02Å; L637-I649 HydrophobicContact CD1-CD1 4.47Å; L637-I649 HydrophobicContact CD2-CD1 4.44Å; L637-V664 HydrophobicContact CD1-CG1 4.43Å; L637-V664 HydrophobicContact CD1-CG2 3.92Å; L637-I669 HydrophobicContact CB-CD1 4.14Å; L637-I669 HydrophobicContact CD1-CD1 4.1Å; L637-V700 HydrophobicContact CD2-CG2 4.49Å |
| 638 | D | 80.8 | Confident | 87 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | trans | -88 | 110.4 | 174 | -170.4 | -6.4 | 0 | 0 | 0 | 109.4 | V640 P641 H698 | D638-V640 VanDerWaalsContact C-N 3.29Å; D638-V640 VanDerWaalsContact OD1-C 3.3Å; D638-V640 PolarHBondContact OD1-N 2.89Å; D638-P641 HydrophobicContact CB-CB 4.41Å; D638-P641 WeakPolarHBondContact OD2-CA 3.24Å; D638-H698 PolarHBondContact O-ND1 2.84Å; D638-H698 VanDerWaalsContact O-ND1 3.13Å | ||
| 639 | F | 78.6 | Confident | 87.3 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -76.6 | -17.3 | -179.6 | -61.6 | -81.2 | 0 | 0 | 0 | 113 | L634 N667 I669 | L634-F639 HydrophobicContact CB-CZ 4.34Å; L634-F639 HydrophobicContact CD2-CE1 4.46Å; L634-F639 HydrophobicContact CD2-CZ 4.04Å; L634-F639 WeakPolarHBondContact O-CE2 3.47Å; L634-F639 WeakPolarHBondContact O-CZ 3.38Å; F639-N667 HydrophobicContact CD1-CB 4.49Å; F639-N667 HydrophobicContact CE1-CB 3.65Å; F639-N667 HydrophobicContact CZ-CB 4.36Å; F639-I669 HydrophobicContact CD1-CD1 3.44Å; F639-I669 VanDerWaalsContact CD1-CD1 3.44Å; F639-I669 HydrophobicContact CD1-CG1 3.78Å; F639-I669 HydrophobicContact CE1-CD1 3.42Å; F639-I669 VanDerWaalsContact CE1-CD1 3.42Å; F639-I669 HydrophobicContact CE1-CG1 4.07Å; F639-I669 HydrophobicContact CG-CD1 4.41Å; F639-I669 HydrophobicContact CZ-CD1 4.41Å |
| 640 | V | 72.8 | Confident | 87.4 | Confident | 125 Ų | 125 | 43.8 Ų | 43.8 | 76% | 0.758 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -137.6 | 66.1 | -178 | -167.4 | 0 | 0 | 0 | 0 | 109.4 | D638 S642 | D638-V640 VanDerWaalsContact C-N 3.29Å; D638-V640 VanDerWaalsContact OD1-C 3.3Å; D638-V640 PolarHBondContact OD1-N 2.89Å; V640-S642 PolarHBondContact O-N 2.89Å |
| 641 | P | 78.6 | Confident | 87.6 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | trans | -70.6 | 135.1 | -174.4 | 31.8 | -36.4 | 0 | 0 | 0 | 110.5 | D638 Q643 Q645 G696 H698 | D638-P641 HydrophobicContact CB-CB 4.41Å; D638-P641 WeakPolarHBondContact OD2-CA 3.24Å; P641-Q643 WeakPolarHBondContact CB-O 3.37Å; P641-Q643 PolarHBondContact O-N 2.63Å; P641-Q645 HydrophobicContact CB-CB 4.16Å; P641-Q645 HydrophobicContact CG-CB 4.22Å; P641-G696 WeakPolarHBondContact O-CA 3.43Å; P641-H698 HydrophobicContact CG-CB 4.1Å | ||
| 642 | S | 74.1 | Confident | 87.3 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 66% | 0.657 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -64.5 | -21.8 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | V640 | V640-S642 PolarHBondContact O-N 2.89Š|
| 643 | Q | 78.2 | Confident | 87.2 | Confident | 88 Ų | 88 | 44.1 Ų | 44.1 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -126.5 | 165.1 | 176.3 | -63.1 | -173.6 | 16.5 | 0 | 0 | 111 | P641 Q645 | P641-Q643 WeakPolarHBondContact CB-O 3.37Å; P641-Q643 PolarHBondContact O-N 2.63Å; Q643-Q645 PolarHBondContact O-N 3.31Å |
| 644 | A | 83.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | trans | -62.4 | 124.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L693 S697 | A644-L693 HydrophobicContact CB-CB 3.63Å; A644-L693 HydrophobicContact CB-CD1 4.44Å; A644-S697 WeakPolarHBondContact CA-O 3.5Å | ||
| 645 | Q | 87.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.2 | -176 | -173.2 | 172.1 | -31.6 | 0 | 0 | 111.3 | P641 Q643 T647 S697 I699 T717 | P641-Q645 HydrophobicContact CB-CB 4.16Å; P641-Q645 HydrophobicContact CG-CB 4.22Å; Q643-Q645 PolarHBondContact O-N 3.31Å; Q645-T647 PolarHBondContact NE2-OG1 3.4Å; Q645-S697 PolarHBondContact N-O 3.04Å; Q645-I699 PolarHBondContact O-N 2.92Å; Q645-T717 WeakPolarHBondContact CG-OG1 3.28Å |
| 646 | K | 91.8 | Very high | 87.3 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 10% | 0.104 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 108.1 | 172.8 | -65.4 | -162.2 | -179.5 | -170.4 | 0 | 109.5 | W689 L693 I699 D715 T717 C718 | K646-W689 HydrophobicContact CB-CH2 3.74Å; K646-W689 HydrophobicContact CB-CZ2 3.74Å; K646-W689 HydrophobicContact CD-CZ2 3.91Å; K646-W689 HydrophobicContact CG-CZ2 4.36Å; K646-W689 PolarHBondContact NZ-O 3.28Å; K646-L693 HydrophobicContact CD-CD1 4.3Å; K646-L693 HydrophobicContact CG-CD1 3.63Å; K646-I699 HydrophobicContact CB-CG2 4.12Å; K646-I699 HydrophobicContact CD-CG2 4.44Å; K646-I699 HydrophobicContact CG-CG2 3.71Å; K646-D715 IonicContact NZ-OD2 3.46Å; K646-D715 PolarHBondContact NZ-OD2 3.15Å; K646-T717 PolarHBondContact N-OG1 2.99Å; K646-T717 PolarHBondContact O-N 2.89Å; K646-T717 PolarHBondContact O-OG1 3.26Å; K646-C718 PolarHBondContact O-N 3.04Å; K646-C718 VanDerWaalsContact O-N 3.08Å |
| 647 | T | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.5 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | L637 Q645 I649 H698 I699 V700 L701 C718 V720 | L637-T647 HydrophobicContact CD2-CG2 4.02Å; Q645-T647 PolarHBondContact NE2-OG1 3.4Å; T647-I649 HydrophobicContact CG2-CG1 4.22Å; T647-H698 PolarHBondContact OG1-NE2 3.41Å; T647-I699 PolarHBondContact N-O 2.86Å; T647-V700 CarbonylContact O-C 3.08Å; T647-V700 WeakPolarHBondContact O-CA 3.41Å; T647-L701 PolarHBondContact O-N 3.04Å; T647-C718 CarbonylContact C-O 3.55Å; T647-C718 VanDerWaalsContact CA-O 3.3Å; T647-C718 WeakPolarHBondContact CA-O 3.49Å; T647-C718 HydrophobicContact CG2-CB 4.09Å; T647-V720 HydrophobicContact CG2-CG2 3.93Å |
| 648 | L | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.1 | 169.5 | -66.3 | 173.5 | 0 | 0 | 0 | 109.5 | F650 W689 L701 L703 I713 A716 C718 V719 V720 C737 | L648-F650 HydrophobicContact CB-CE2 3.91Å; L648-F650 HydrophobicContact CB-CZ 4.38Å; L648-F650 HydrophobicContact CD1-CE2 4.34Å; L648-F650 HydrophobicContact CD1-CZ 4.27Å; L648-W689 HydrophobicContact CD2-CH2 3.56Å; L648-W689 HydrophobicContact CD2-CZ2 4.12Å; L648-W689 HydrophobicContact CD2-CZ3 3.93Å; L648-W689 HydrophobicContact CG-CH2 3.84Å; L648-W689 HydrophobicContact CG-CZ2 4.32Å; L648-L701 WeakPolarHBondContact CA-O 3.42Å; L648-L701 HydrophobicContact CD2-CB 3.9Å; L648-L701 HydrophobicContact CD2-CD2 3.8Å; L648-L701 HydrophobicContact CD2-CG 4.05Å; L648-L703 HydrophobicContact CB-CD2 4.14Å; L648-L703 HydrophobicContact CD2-CD2 3.89Å; L648-I713 HydrophobicContact CD1-CG2 4.13Å; L648-I713 HydrophobicContact CD2-CD1 4.21Å; L648-A716 HydrophobicContact CD1-CB 3.72Å; L648-A716 HydrophobicContact CG-CB 4Å; L648-C718 PolarHBondContact N-O 3.08Å; L648-V719 HydrophobicContact CB-CG2 4.36Å; L648-V719 HydrophobicContact CD1-CG2 4.45Å; L648-V719 CarbonylContact O-C 3.57Å; L648-V719 WeakPolarHBondContact O-CA 3.28Å; L648-V720 PolarHBondContact O-N 2.98Å; L648-C737 HydrophobicContact CD1-CB 3.36Å |
| 649 | I | 96.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115 | 174.9 | -54.7 | 174.2 | 0 | 0 | 0 | 108.9 | L633 L637 T647 V660 V664 V700 L701 T702 L703 V720 F722 | L633-I649 HydrophobicContact CD1-CD1 4Å; L633-I649 HydrophobicContact CD1-CG2 4.48Å; L633-I649 HydrophobicContact CD2-CD1 4.23Å; L637-I649 HydrophobicContact CD1-CD1 4.47Å; L637-I649 HydrophobicContact CD2-CD1 4.44Å; T647-I649 HydrophobicContact CG2-CG1 4.22Å; I649-V660 HydrophobicContact CD1-CG1 4.19Å; I649-V660 HydrophobicContact CG2-CG1 4Å; I649-V664 HydrophobicContact CD1-CG2 4.13Å; I649-V700 HydrophobicContact CD1-CG1 3.38Å; I649-V700 HydrophobicContact CG1-CG1 3.84Å; I649-L701 PolarHBondContact N-O 2.99Å; I649-T702 HydrophobicContact CB-CG2 4.31Å; I649-T702 HydrophobicContact CG2-CG2 4.45Å; I649-T702 CarbonylContact O-C 3.58Å; I649-T702 WeakPolarHBondContact O-CA 3.46Å; I649-L703 PolarHBondContact O-N 2.74Å; I649-V720 WeakPolarHBondContact CA-O 3.43Å; I649-V720 HydrophobicContact CG1-CB 4.19Å; I649-V720 HydrophobicContact CG1-CG2 4.49Å; I649-V720 HydrophobicContact CG2-CB 4.45Å; I649-F722 HydrophobicContact CG2-CB 3.72Å |
| 650 | F | 96.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.1 | -178.3 | -71.9 | -79 | 0 | 0 | 0 | 112.7 | L648 L703 I708 V719 V720 F722 S723 R734 | L648-F650 HydrophobicContact CB-CE2 3.91Å; L648-F650 HydrophobicContact CB-CZ 4.38Å; L648-F650 HydrophobicContact CD1-CE2 4.34Å; L648-F650 HydrophobicContact CD1-CZ 4.27Å; F650-L703 WeakPolarHBondContact CA-O 3.46Å; F650-L703 HydrophobicContact CD1-CD1 4.47Å; F650-L703 HydrophobicContact CD1-CD2 3.91Å; F650-L703 HydrophobicContact CD1-CG 3.83Å; F650-L703 HydrophobicContact CE1-CD1 3.7Å; F650-L703 HydrophobicContact CE1-CD2 3.67Å; F650-L703 HydrophobicContact CE1-CG 3.54Å; F650-L703 HydrophobicContact CE2-CD2 4.47Å; F650-L703 HydrophobicContact CG-CD2 4.4Å; F650-L703 HydrophobicContact CZ-CD1 4.24Å; F650-L703 HydrophobicContact CZ-CD2 3.99Å; F650-L703 HydrophobicContact CZ-CG 4.28Å; F650-I708 HydrophobicContact CD1-CD1 4.28Å; F650-I708 HydrophobicContact CD1-CG1 4.49Å; F650-I708 HydrophobicContact CE1-CD1 3.54Å; F650-I708 HydrophobicContact CE1-CG1 3.47Å; F650-I708 VanDerWaalsContact CE1-CG1 3.47Å; F650-I708 HydrophobicContact CZ-CD1 4.03Å; F650-I708 HydrophobicContact CZ-CG1 3.99Å; F650-V719 HydrophobicContact CD2-CG1 3.75Å; F650-V719 HydrophobicContact CE2-CG1 3.7Å; F650-V720 PolarHBondContact N-O 3.31Å; F650-F722 WeakPolarHBondContact O-CB 3.46Å; F650-F722 PolarHBondContact O-N 3.36Å; F650-F722 VanDerWaalsContact O-N 3.11Å; F650-S723 PolarHBondContact O-N 3.48Å; F650-R734 HydrophobicContact CB-CG 4.48Å; F650-R734 VanDerWaalsContact CB-CZ 3.44Å; F650-R734 HydrophobicContact CD1-CG 3.8Å; F650-R734 HydrophobicContact CD2-CB 3.87Å; F650-R734 HydrophobicContact CD2-CG 3.62Å; F650-R734 HydrophobicContact CE1-CG 3.84Å; F650-R734 HydrophobicContact CE2-CB 3.57Å; F650-R734 HydrophobicContact CE2-CG 3.64Å; F650-R734 HydrophobicContact CG-CB 4.45Å; F650-R734 HydrophobicContact CG-CG 3.69Å; F650-R734 HydrophobicContact CZ-CB 3.95Å; F650-R734 HydrophobicContact CZ-CG 3.75Å |
| 651 | T | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.2 | 179.8 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | E656 T657 V660 T702 L703 F722 S723 | T651-E656 HydrophobicContact CG2-CB 4.14Å; T651-T657 PolarHBondContact OG1-OG1 2.92Å; T651-V660 HydrophobicContact CG2-CB 4.5Å; T651-V660 HydrophobicContact CG2-CG2 4.1Å; T651-T702 HydrophobicContact CG2-CG2 3.94Å; T651-L703 PolarHBondContact N-O 3.24Å; T651-L703 PolarHBondContact OG1-O 3.1Å; T651-F722 HydrophobicContact CG2-CB 4.42Å; T651-F722 HydrophobicContact CG2-CD1 4.08Å; T651-S723 WeakPolarHBondContact CA-OG 3.43Å |
| 652 | C | 87.8 | Confident | 90.8 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -96.3 | -15.8 | -179.9 | 56 | 0 | 0 | 0 | 0 | 114.3 | E656 S723 | C652-E656 PolarHBondContact N-OE2 2.91Å; C652-E656 PolarHBondContact SG-OE2 3.04Å; C652-S723 VanDerWaalsContact N-CB 3.31Å; C652-S723 PolarHBondContact N-OG 3.44Å; C652-S723 WeakPolarHBondContact SG-CB 3.47Å; C652-S723 PolarHBondContact SG-OG 3.21Å; C652-S723 VanDerWaalsContact SG-OG 3.35Å |
| 653 | S | 90.2 | Very high | 91.7 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -131.4 | 157.8 | 178.6 | 70 | 0 | 0 | 0 | 0 | 113.5 | A655 E656 T657 | S653-A655 VanDerWaalsContact C-N 3.33Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.28Å; S653-E656 VanDerWaalsContact OG-CB 3.31Å; S653-E656 WeakPolarHBondContact OG-CB 3.29Å; S653-E656 WeakPolarHBondContact OG-CG 3.41Å; S653-E656 PolarHBondContact OG-N 2.88Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 3.4Å; S653-T657 PolarHBondContact O-N 2.84Å; S653-T657 PolarHBondContact O-OG1 2.69Å |
| 654 | V | 91.6 | Very high | 92.4 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | E656 T657 E658 H675 | V654-E656 PolarHBondContact O-N 2.83Å; V654-T657 VanDerWaalsContact O-CB 3.29Å; V654-T657 WeakPolarHBondContact O-CB 3.33Å; V654-T657 PolarHBondContact O-N 3.02Å; V654-T657 VanDerWaalsContact O-N 3.14Å; V654-E658 HydrophobicContact CG1-CG 4.42Å; V654-E658 VanDerWaalsContact O-CG 3.31Å; V654-E658 WeakPolarHBondContact O-CG 3.4Å; V654-E658 PolarHBondContact O-N 3.17Å; V654-H675 WeakPolarHBondContact CG1-CD2 3.25Å; V654-H675 HydrophobicContact CG2-CB 4.19Å |
| 655 | A | 92.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 55% | 0.554 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61.3 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S653 E658 T659 | S653-A655 VanDerWaalsContact C-N 3.33Å; A655-E658 PolarHBondContact O-N 3.04Å; A655-T659 WeakPolarHBondContact O-CB 3.4Å; A655-T659 PolarHBondContact O-N 3.21Å; A655-T659 PolarHBondContact O-OG1 2.99Å |
| 656 | E | 92.2 | Very high | 92.9 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.2 | -75 | 168.9 | 136.1 | 0 | 0 | 111.4 | T651 C652 S653 V654 E658 T659 V660 S723 | T651-E656 HydrophobicContact CG2-CB 4.14Å; C652-E656 PolarHBondContact N-OE2 2.91Å; C652-E656 PolarHBondContact SG-OE2 3.04Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.28Å; S653-E656 VanDerWaalsContact OG-CB 3.31Å; S653-E656 WeakPolarHBondContact OG-CB 3.29Å; S653-E656 WeakPolarHBondContact OG-CG 3.41Å; S653-E656 PolarHBondContact OG-N 2.88Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 3.4Å; V654-E656 PolarHBondContact O-N 2.83Å; E656-E658 VanDerWaalsContact C-N 3.28Å; E656-E658 PolarHBondContact O-N 3.46Å; E656-T659 PolarHBondContact O-N 3.2Å; E656-T659 VanDerWaalsContact O-N 3.16Å; E656-V660 WeakPolarHBondContact O-CB 3.43Å; E656-V660 VanDerWaalsContact O-CG2 3.31Å; E656-V660 WeakPolarHBondContact O-CG2 2.95Å; E656-V660 PolarHBondContact O-N 3.29Å; E656-S723 PolarHBondContact OE1-OG 2.9Å; E656-S723 PolarHBondContact OE2-OG 3.39Å |
| 657 | T | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 177.2 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | T651 S653 V654 C661 K673 T702 | T651-T657 PolarHBondContact OG1-OG1 2.92Å; S653-T657 PolarHBondContact O-N 2.84Å; S653-T657 PolarHBondContact O-OG1 2.69Å; V654-T657 VanDerWaalsContact O-CB 3.29Å; V654-T657 WeakPolarHBondContact O-CB 3.33Å; V654-T657 PolarHBondContact O-N 3.02Å; V654-T657 VanDerWaalsContact O-N 3.14Å; T657-C661 VanDerWaalsContact O-CB 3.26Å; T657-C661 WeakPolarHBondContact O-CB 3.47Å; T657-C661 PolarHBondContact O-N 3.43Å; T657-K673 HydrophobicContact CG2-CB 4.26Å; T657-T702 HydrophobicContact CG2-CG2 3.82Å |
| 658 | E | 92.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 178.4 | -61 | -138.2 | 121.9 | 0 | 0 | 112.6 | V654 A655 E656 K662 K673 | V654-E658 HydrophobicContact CG1-CG 4.42Å; V654-E658 VanDerWaalsContact O-CG 3.31Å; V654-E658 WeakPolarHBondContact O-CG 3.4Å; V654-E658 PolarHBondContact O-N 3.17Å; A655-E658 PolarHBondContact O-N 3.04Å; E656-E658 VanDerWaalsContact C-N 3.28Å; E656-E658 PolarHBondContact O-N 3.46Å; E658-K662 WeakPolarHBondContact O-CG 3.28Å; E658-K662 PolarHBondContact O-N 3.49Å; E658-K662 VanDerWaalsContact O-N 3.11Å; E658-K673 IonicContact OE1-NZ 2.84Å; E658-K673 PolarHBondContact OE1-NZ 3.05Å |
| 659 | T | 93.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 47 Ų | 47 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -48.6 | -179.2 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | A655 E656 C661 K662 V663 | A655-T659 WeakPolarHBondContact O-CB 3.4Å; A655-T659 PolarHBondContact O-N 3.21Å; A655-T659 PolarHBondContact O-OG1 2.99Å; E656-T659 PolarHBondContact O-N 3.2Å; E656-T659 VanDerWaalsContact O-N 3.16Å; T659-C661 VanDerWaalsContact C-N 3.35Å; T659-C661 PolarHBondContact O-N 3.41Å; T659-K662 PolarHBondContact O-N 3.26Å; T659-V663 WeakPolarHBondContact O-CG2 3.43Å; T659-V663 PolarHBondContact O-N 3.02Å |
| 660 | V | 94.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L633 I649 T651 E656 K662 V663 V664 T702 F722 | L633-V660 HydrophobicContact CD2-CG1 3.73Å; I649-V660 HydrophobicContact CD1-CG1 4.19Å; I649-V660 HydrophobicContact CG2-CG1 4Å; T651-V660 HydrophobicContact CG2-CB 4.5Å; T651-V660 HydrophobicContact CG2-CG2 4.1Å; E656-V660 WeakPolarHBondContact O-CB 3.43Å; E656-V660 VanDerWaalsContact O-CG2 3.31Å; E656-V660 WeakPolarHBondContact O-CG2 2.95Å; E656-V660 PolarHBondContact O-N 3.29Å; V660-K662 PolarHBondContact O-N 3.1Å; V660-V663 PolarHBondContact O-N 2.53Å; V660-V664 HydrophobicContact CG1-CG2 4.34Å; V660-V664 WeakPolarHBondContact O-CG2 3.38Å; V660-V664 PolarHBondContact O-N 3.25Å; V660-T702 HydrophobicContact CB-CG2 4.01Å; V660-T702 HydrophobicContact CG1-CG2 3.76Å; V660-F722 HydrophobicContact CG2-CD1 4Å; V660-F722 HydrophobicContact CG2-CD2 4.17Å; V660-F722 HydrophobicContact CG2-CE1 3.81Å; V660-F722 HydrophobicContact CG2-CE2 3.97Å; V660-F722 HydrophobicContact CG2-CG 4.18Å; V660-F722 HydrophobicContact CG2-CZ 3.78Å |
| 661 | C | 93.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 177.1 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | T657 T659 V663 V664 E665 K673 | T657-C661 VanDerWaalsContact O-CB 3.26Å; T657-C661 WeakPolarHBondContact O-CB 3.47Å; T657-C661 PolarHBondContact O-N 3.43Å; T659-C661 VanDerWaalsContact C-N 3.35Å; T659-C661 PolarHBondContact O-N 3.41Å; C661-V663 VanDerWaalsContact C-N 3.32Å; C661-V663 PolarHBondContact O-N 2.82Å; C661-V664 PolarHBondContact O-N 2.79Å; C661-E665 WeakPolarHBondContact O-CB 3.44Å; C661-E665 VanDerWaalsContact O-CG 3.29Å; C661-E665 WeakPolarHBondContact O-CG 3.37Å; C661-E665 PolarHBondContact O-N 2.93Å; C661-E665 PolarHBondContact SG-OE1 2.89Å; C661-E665 VanDerWaalsContact SG-OE1 3.34Å; C661-K673 HydrophobicContact CB-CB 4.27Å; C661-K673 HydrophobicContact CB-CD 4.42Å |
| 662 | K | 93.8 | Very high | 91.1 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 177.8 | -73.6 | 171.6 | -176.9 | 172.3 | 0 | 112.5 | E658 T659 V660 S666 | E658-K662 WeakPolarHBondContact O-CG 3.28Å; E658-K662 PolarHBondContact O-N 3.49Å; E658-K662 VanDerWaalsContact O-N 3.11Å; T659-K662 PolarHBondContact O-N 3.26Å; V660-K662 PolarHBondContact O-N 3.1Å; K662-S666 WeakPolarHBondContact O-CB 3.26Å; K662-S666 PolarHBondContact O-N 3.26Å; K662-S666 PolarHBondContact O-OG 3.34Å |
| 663 | V | 92.9 | Very high | 91.4 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.7 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | T630 L634 T659 V660 C661 S666 N667 | T630-V663 HydrophobicContact CG2-CB 4.13Å; T630-V663 HydrophobicContact CG2-CG1 3.56Å; T630-V663 HydrophobicContact CG2-CG2 3.7Å; L634-V663 HydrophobicContact CD1-CG1 3.93Å; L634-V663 HydrophobicContact CD2-CG1 4Å; L634-V663 HydrophobicContact CG-CG1 4.11Å; T659-V663 WeakPolarHBondContact O-CG2 3.43Å; T659-V663 PolarHBondContact O-N 3.02Å; V660-V663 PolarHBondContact O-N 2.53Å; C661-V663 VanDerWaalsContact C-N 3.32Å; C661-V663 PolarHBondContact O-N 2.82Å; V663-S666 PolarHBondContact O-N 3.46Å; V663-N667 PolarHBondContact O-N 3.04Å; V663-N667 PolarHBondContact O-ND2 3.09Å |
| 664 | V | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | -179.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L633 L637 I649 V660 C661 S666 N667 I669 C671 V700 | L633-V664 HydrophobicContact CD2-CG2 4.39Å; L637-V664 HydrophobicContact CD1-CG1 4.43Å; L637-V664 HydrophobicContact CD1-CG2 3.92Å; I649-V664 HydrophobicContact CD1-CG2 4.13Å; V660-V664 HydrophobicContact CG1-CG2 4.34Å; V660-V664 WeakPolarHBondContact O-CG2 3.38Å; V660-V664 PolarHBondContact O-N 3.25Å; C661-V664 PolarHBondContact O-N 2.79Å; V664-S666 VanDerWaalsContact C-N 3.33Å; V664-S666 PolarHBondContact O-N 2.85Å; V664-N667 PolarHBondContact O-N 3.36Å; V664-N667 VanDerWaalsContact O-N 3.12Å; V664-I669 HydrophobicContact CG1-CB 3.69Å; V664-I669 HydrophobicContact CG1-CD1 4.36Å; V664-I669 HydrophobicContact CG1-CG2 3.82Å; V664-I669 PolarHBondContact O-N 2.93Å; V664-C671 HydrophobicContact CB-CB 4.17Å; V664-C671 HydrophobicContact CG1-CB 3.83Å; V664-V700 HydrophobicContact CG1-CB 4.17Å; V664-V700 HydrophobicContact CG1-CG1 4.22Å; V664-V700 HydrophobicContact CG1-CG2 4.11Å |
| 665 | E | 91.3 | Very high | 91.3 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -40 | 175.8 | -72.3 | 170.9 | 174.2 | 0 | 0 | 112.3 | C661 N667 S668 C671 | C661-E665 WeakPolarHBondContact O-CB 3.44Å; C661-E665 VanDerWaalsContact O-CG 3.29Å; C661-E665 WeakPolarHBondContact O-CG 3.37Å; C661-E665 PolarHBondContact O-N 2.93Å; C661-E665 PolarHBondContact SG-OE1 2.89Å; C661-E665 VanDerWaalsContact SG-OE1 3.34Å; E665-N667 PolarHBondContact O-N 3.28Å; E665-S668 PolarHBondContact O-N 3.41Å; E665-C671 HydrophobicContact CG-CB 3.81Å |
| 666 | S | 90.6 | Very high | 90.9 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 69% | 0.692 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -20.3 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 113 | K662 V663 V664 | K662-S666 WeakPolarHBondContact O-CB 3.26Å; K662-S666 PolarHBondContact O-N 3.26Å; K662-S666 PolarHBondContact O-OG 3.34Å; V663-S666 PolarHBondContact O-N 3.46Å; V664-S666 VanDerWaalsContact C-N 3.33Å; V664-S666 PolarHBondContact O-N 2.85Å |
| 667 | N | 85.4 | Confident | 90.5 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 24.5 | 175.7 | -69.2 | -89.2 | 0 | 0 | 0 | 112.6 | L634 F639 V663 V664 E665 I669 | L634-N667 HydrophobicContact CD2-CB 4.21Å; L634-N667 WeakPolarHBondContact CD2-ND2 3.44Å; F639-N667 HydrophobicContact CD1-CB 4.49Å; F639-N667 HydrophobicContact CE1-CB 3.65Å; F639-N667 HydrophobicContact CZ-CB 4.36Å; V663-N667 PolarHBondContact O-N 3.04Å; V663-N667 PolarHBondContact O-ND2 3.09Å; V664-N667 PolarHBondContact O-N 3.36Å; V664-N667 VanDerWaalsContact O-N 3.12Å; E665-N667 PolarHBondContact O-N 3.28Å; N667-I669 VanDerWaalsContact C-N 3.26Å; N667-I669 PolarHBondContact O-N 3.48Å |
| 668 | S | 85.4 | Confident | 89.9 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 85% | 0.846 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 19.7 | 173.9 | -52.9 | 0 | 0 | 0 | 0 | 116 | E665 | E665-S668 PolarHBondContact O-N 3.41Š|
| 669 | I | 86.1 | Confident | 88.8 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | trans | -94.1 | 135.7 | 170.7 | -62.6 | 169.6 | 0 | 0 | 0 | 109.5 | L637 F639 V664 N667 C671 H698 V700 | L637-I669 HydrophobicContact CB-CD1 4.14Å; L637-I669 HydrophobicContact CD1-CD1 4.1Å; F639-I669 HydrophobicContact CD1-CD1 3.44Å; F639-I669 VanDerWaalsContact CD1-CD1 3.44Å; F639-I669 HydrophobicContact CD1-CG1 3.78Å; F639-I669 HydrophobicContact CE1-CD1 3.42Å; F639-I669 VanDerWaalsContact CE1-CD1 3.42Å; F639-I669 HydrophobicContact CE1-CG1 4.07Å; F639-I669 HydrophobicContact CG-CD1 4.41Å; F639-I669 HydrophobicContact CZ-CD1 4.41Å; V664-I669 HydrophobicContact CG1-CB 3.69Å; V664-I669 HydrophobicContact CG1-CD1 4.36Å; V664-I669 HydrophobicContact CG1-CG2 3.82Å; V664-I669 PolarHBondContact O-N 2.93Å; N667-I669 VanDerWaalsContact C-N 3.26Å; N667-I669 PolarHBondContact O-N 3.48Å; I669-C671 PolarHBondContact O-N 3.47Å; I669-C671 VanDerWaalsContact O-N 3.11Å; I669-H698 HydrophobicContact CG2-CB 4.46Å; I669-V700 HydrophobicContact CG2-CB 4.23Å; I669-V700 HydrophobicContact CG2-CG2 3.49Å; I669-V700 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 670 | F | 89.4 | Confident | 87.9 | Confident | 112 Ų | 112 | 65 Ų | 65 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 107.7 | 175.2 | -176.6 | -106.3 | 0 | 0 | 0 | 110.4 | L672 I699 V700 | F670-L672 HydrophobicContact CE1-CD1 4.37Å; F670-L672 HydrophobicContact CE1-CD2 3.73Å; F670-L672 HydrophobicContact CE1-CG 4Å; F670-L672 HydrophobicContact CZ-CD2 3.66Å; F670-L672 HydrophobicContact CZ-CG 4.43Å; F670-I699 HydrophobicContact CD1-CB 4.49Å; F670-I699 HydrophobicContact CD1-CD1 3.98Å; F670-I699 HydrophobicContact CD1-CG1 3.86Å; F670-I699 HydrophobicContact CE1-CD1 3.88Å; F670-I699 HydrophobicContact CE1-CG1 4.22Å; F670-V700 PolarHBondContact O-N 3.37Å |
| 671 | C | 92.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.8 | -178.1 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | V664 E665 I669 V700 T702 | V664-C671 HydrophobicContact CB-CB 4.17Å; V664-C671 HydrophobicContact CG1-CB 3.83Å; E665-C671 HydrophobicContact CG-CB 3.81Å; I669-C671 PolarHBondContact O-N 3.47Å; I669-C671 VanDerWaalsContact O-N 3.11Å; C671-V700 CarbonylContact C-O 3.48Å; C671-V700 WeakPolarHBondContact CA-O 3.37Å; C671-V700 HydrophobicContact CB-CB 4.37Å; C671-T702 PolarHBondContact SG-OG1 2.84Å; C671-T702 VanDerWaalsContact SG-OG1 3.39Å |
| 672 | L | 93 | Very high | 86.5 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 157 | 167.9 | -58.3 | -177.8 | 0 | 0 | 0 | 108.8 | F670 I685 Q688 I699 V700 L701 T702 | F670-L672 HydrophobicContact CE1-CD1 4.37Å; F670-L672 HydrophobicContact CE1-CD2 3.73Å; F670-L672 HydrophobicContact CE1-CG 4Å; F670-L672 HydrophobicContact CZ-CD2 3.66Å; F670-L672 HydrophobicContact CZ-CG 4.43Å; L672-I685 HydrophobicContact CD1-CG2 4.28Å; L672-Q688 HydrophobicContact CD1-CB 3.92Å; L672-I699 HydrophobicContact CD1-CD1 3.95Å; L672-I699 HydrophobicContact CD1-CG1 4.49Å; L672-V700 PolarHBondContact N-O 3.38Å; L672-L701 HydrophobicContact CB-CB 4.31Å; L672-L701 HydrophobicContact CB-CD1 3.59Å; L672-L701 WeakPolarHBondContact O-CA 3.38Å; L672-T702 PolarHBondContact O-N 3.31Å |
| 673 | K | 92.9 | Very high | 86 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.265 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.1 | 173.4 | 59.8 | 177.6 | 179.5 | 172.3 | 0 | 111.9 | T657 E658 C661 M678 I685 T702 | T657-K673 HydrophobicContact CG2-CB 4.26Å; E658-K673 IonicContact OE1-NZ 2.84Å; E658-K673 PolarHBondContact OE1-NZ 3.05Å; C661-K673 HydrophobicContact CB-CB 4.27Å; C661-K673 HydrophobicContact CB-CD 4.42Å; K673-M678 HydrophobicContact CD-SD 4.45Å; K673-M678 HydrophobicContact CG-SD 4.18Å; K673-I685 VanDerWaalsContact O-CD1 3.32Å; K673-I685 WeakPolarHBondContact O-CD1 3.24Å; K673-T702 CarbonylContact C-O 3.54Å; K673-T702 VanDerWaalsContact CA-O 3.3Å; K673-T702 WeakPolarHBondContact CA-O 3.41Å |
| 674 | M | 90.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 127.3 | 175.4 | -178.2 | 62.3 | 88.2 | 0 | 0 | 110.6 | M678 L682 I685 L701 T702 L703 T704 C707 L711 | M674-M678 HydrophobicContact SD-CB 4.22Å; M674-L682 HydrophobicContact CE-CB 4.01Å; M674-L682 HydrophobicContact CE-CG 4.34Å; M674-I685 HydrophobicContact CB-CD1 4.49Å; M674-I685 HydrophobicContact CE-CB 4.12Å; M674-I685 HydrophobicContact CE-CD1 3.4Å; M674-I685 VanDerWaalsContact CE-CD1 3.4Å; M674-I685 HydrophobicContact CE-CG1 4.33Å; M674-I685 HydrophobicContact CE-CG2 4.22Å; M674-I685 HydrophobicContact SD-CD1 4.09Å; M674-L701 HydrophobicContact CB-CD1 4.06Å; M674-T702 PolarHBondContact N-O 3.39Å; M674-L703 HydrophobicContact CB-CB 4.15Å; M674-L703 WeakPolarHBondContact O-CA 3.36Å; M674-L703 WeakPolarHBondContact O-CB 3.46Å; M674-T704 PolarHBondContact O-N 3.47Å; M674-C707 HydrophobicContact CG-CB 3.74Å; M674-L711 HydrophobicContact CB-CD1 4.46Å; M674-L711 HydrophobicContact CE-CD2 3.86Å; M674-L711 HydrophobicContact CG-CD1 4.15Å |
| 675 | H | 89.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 2% | 0.023 | 38% | 0.382 | C | S | . | . | trans | -147.4 | 172 | 172.5 | 55.9 | -78.2 | 0 | 0 | 0 | 109.2 | V654 E677 M678 T704 C707 | V654-H675 WeakPolarHBondContact CG1-CD2 3.25Å; V654-H675 HydrophobicContact CG2-CB 4.19Å; H675-E677 PolarHBondContact O-N 3.12Å; H675-M678 WeakPolarHBondContact CE1-CG 3.18Å; H675-M678 PolarHBondContact CE1-SD 3.22Å; H675-M678 PolarHBondContact O-N 2.98Å; H675-T704 HydrophobicContact CB-CG2 4.06Å; H675-C707 VanDerWaalsContact C-SG 3.52Å; H675-C707 VanDerWaalsContact CA-SG 3.51Å | ||
| 676 | K | 82.6 | Confident | 85.2 | Confident | 151 Ų | 151 | 70.4 Ų | 70.4 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -51.2 | -34.7 | -173 | -170.8 | 175 | -179.1 | 175.6 | 0 | 114.7 | M678 | K676-M678 VanDerWaalsContact C-N 3.31Å; K676-M678 PolarHBondContact O-N 3.07Å |
| 677 | E | 83.6 | Confident | 85 | Confident | 152 Ų | 152 | 72 Ų | 72 | 71% | 0.71 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77.6 | -14 | -179.2 | -57.9 | 178.8 | -178.6 | 0 | 0 | 113.3 | H675 | H675-E677 PolarHBondContact O-N 3.12Š|
| 678 | M | 81.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -99.9 | 20.2 | -178.4 | -71.7 | -167.5 | 165.8 | 0 | 0 | 114.3 | K673 M674 H675 K676 F680 N681 | K673-M678 HydrophobicContact CD-SD 4.45Å; K673-M678 HydrophobicContact CG-SD 4.18Å; M674-M678 HydrophobicContact SD-CB 4.22Å; H675-M678 WeakPolarHBondContact CE1-CG 3.18Å; H675-M678 PolarHBondContact CE1-SD 3.22Å; H675-M678 PolarHBondContact O-N 2.98Å; K676-M678 VanDerWaalsContact C-N 3.31Å; K676-M678 PolarHBondContact O-N 3.07Å; M678-F680 PolarHBondContact O-N 3.43Å; M678-N681 PolarHBondContact O-N 2.77Å |
| 679 | A | 70.9 | Confident | 85.3 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -54.9 | -29.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | N681 L682 | A679-N681 VanDerWaalsContact C-N 3.29Å; A679-N681 PolarHBondContact O-N 3.18Å; A679-L682 VanDerWaalsContact O-CB 3.3Å; A679-L682 WeakPolarHBondContact O-CB 3.35Å; A679-L682 PolarHBondContact O-N 3.25Å |
| 680 | F | 73.6 | Confident | 85.3 | Confident | 202 Ų | 202 | 73.2 Ų | 73.2 | 89% | 0.886 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -68.2 | -25.2 | 178.1 | -62.7 | -79.4 | 0 | 0 | 0 | 113.7 | M678 L682 | M678-F680 PolarHBondContact O-N 3.43Å; F680-L682 VanDerWaalsContact C-N 3.3Å; F680-L682 PolarHBondContact O-N 2.89Å |
| 681 | N | 77.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 74.2 Ų | 74.2 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -89.3 | 8.3 | -179.5 | -67.8 | -18.1 | 0 | 0 | 0 | 113.2 | M678 A679 K683 S684 I685 | M678-N681 PolarHBondContact O-N 2.77Å; A679-N681 VanDerWaalsContact C-N 3.29Å; A679-N681 PolarHBondContact O-N 3.18Å; N681-K683 VanDerWaalsContact C-N 3.35Å; N681-K683 PolarHBondContact O-N 2.67Å; N681-S684 PolarHBondContact O-N 2.84Å; N681-S684 PolarHBondContact O-OG 3.3Å; N681-I685 HydrophobicContact CB-CD1 4.09Å; N681-I685 WeakPolarHBondContact O-CG1 3.4Å; N681-I685 PolarHBondContact O-N 2.96Å; N681-I685 VanDerWaalsContact O-N 3.13Å |
| 682 | L | 82.4 | Confident | 84.5 | Confident | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | -175 | -178.8 | 143.7 | 0 | 0 | 0 | 113.9 | M674 A679 F680 L686 L710 L711 | M674-L682 HydrophobicContact CE-CB 4.01Å; M674-L682 HydrophobicContact CE-CG 4.34Å; A679-L682 VanDerWaalsContact O-CB 3.3Å; A679-L682 WeakPolarHBondContact O-CB 3.35Å; A679-L682 PolarHBondContact O-N 3.25Å; F680-L682 VanDerWaalsContact C-N 3.3Å; F680-L682 PolarHBondContact O-N 2.89Å; L682-L686 HydrophobicContact CD2-CD1 3.52Å; L682-L686 HydrophobicContact CG-CD1 4.06Å; L682-L686 WeakPolarHBondContact O-CB 3.16Å; L682-L686 WeakPolarHBondContact O-CG 2.98Å; L682-L686 PolarHBondContact O-N 3.21Å; L682-L710 HydrophobicContact CD1-CB 3.66Å; L682-L711 HydrophobicContact CG-CD2 4.5Å |
| 683 | K | 82.9 | Confident | 84 | Confident | 163 Ų | 163 | 85.8 Ų | 85.8 | 71% | 0.709 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | -179.9 | -71.6 | -176.7 | 179 | 179.3 | 0 | 112.2 | N681 L686 E687 | N681-K683 VanDerWaalsContact C-N 3.35Å; N681-K683 PolarHBondContact O-N 2.67Å; K683-L686 PolarHBondContact O-N 3.05Å; K683-E687 WeakPolarHBondContact O-CB 3.44Å; K683-E687 WeakPolarHBondContact O-CG 3.39Å; K683-E687 PolarHBondContact O-N 3.2Å |
| 684 | S | 86.4 | Confident | 83.3 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | -178.5 | 57.7 | 0 | 0 | 0 | 0 | 112 | N681 E687 Q688 | N681-S684 PolarHBondContact O-N 2.84Å; N681-S684 PolarHBondContact O-OG 3.3Å; S684-E687 PolarHBondContact O-N 2.98Å; S684-Q688 VanDerWaalsContact O-CG 3.32Å; S684-Q688 WeakPolarHBondContact O-CG 3.45Å; S684-Q688 PolarHBondContact O-N 3.32Å |
| 685 | I | 86.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 92.1 Ų | 92.1 | 7% | 0.067 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.2 | -70 | 165.8 | 0 | 0 | 0 | 110.7 | L672 K673 M674 N681 Q688 W689 L701 | L672-I685 HydrophobicContact CD1-CG2 4.28Å; K673-I685 VanDerWaalsContact O-CD1 3.32Å; K673-I685 WeakPolarHBondContact O-CD1 3.24Å; M674-I685 HydrophobicContact CB-CD1 4.49Å; M674-I685 HydrophobicContact CE-CB 4.12Å; M674-I685 HydrophobicContact CE-CD1 3.4Å; M674-I685 VanDerWaalsContact CE-CD1 3.4Å; M674-I685 HydrophobicContact CE-CG1 4.33Å; M674-I685 HydrophobicContact CE-CG2 4.22Å; M674-I685 HydrophobicContact SD-CD1 4.09Å; N681-I685 HydrophobicContact CB-CD1 4.09Å; N681-I685 WeakPolarHBondContact O-CG1 3.4Å; N681-I685 PolarHBondContact O-N 2.96Å; N681-I685 VanDerWaalsContact O-N 3.13Å; I685-Q688 PolarHBondContact O-N 3.26Å; I685-W689 WeakPolarHBondContact O-CB 3.43Å; I685-W689 PolarHBondContact O-N 2.83Å; I685-L701 HydrophobicContact CG2-CD1 4.09Å; I685-L701 HydrophobicContact CG2-CD2 4.44Å |
| 686 | L | 85.7 | Confident | 81.8 | Confident | 26 Ų | 26 | 94.2 Ų | 94.2 | 14% | 0.136 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 176.8 | -76.6 | 172.9 | 0 | 0 | 0 | 112.6 | L682 K683 Q688 W689 K690 L711 I713 | L682-L686 HydrophobicContact CD2-CD1 3.52Å; L682-L686 HydrophobicContact CG-CD1 4.06Å; L682-L686 WeakPolarHBondContact O-CB 3.16Å; L682-L686 WeakPolarHBondContact O-CG 2.98Å; L682-L686 PolarHBondContact O-N 3.21Å; K683-L686 PolarHBondContact O-N 3.05Å; L686-Q688 VanDerWaalsContact C-N 3.32Å; L686-Q688 PolarHBondContact O-N 3.29Å; L686-W689 PolarHBondContact O-N 3.48Å; L686-K690 VanDerWaalsContact O-CB 3.31Å; L686-K690 WeakPolarHBondContact O-CB 3.49Å; L686-K690 VanDerWaalsContact O-CG 3.27Å; L686-K690 WeakPolarHBondContact O-CG 3.39Å; L686-K690 PolarHBondContact O-N 2.89Å; L686-L711 HydrophobicContact CD2-CB 4.35Å; L686-L711 HydrophobicContact CD2-CD2 3.85Å; L686-L711 VanDerWaalsContact CD2-O 3.29Å; L686-L711 WeakPolarHBondContact CD2-O 3.32Å; L686-L711 HydrophobicContact CG-CD2 4Å; L686-I713 HydrophobicContact CD2-CG1 4.41Å |
| 687 | E | 86.7 | Confident | 81.9 | Confident | 132 Ų | 132 | 88.7 Ų | 88.7 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 174.3 | -78 | 173.7 | -173.6 | 0 | 0 | 111.3 | K683 S684 K691 | K683-E687 WeakPolarHBondContact O-CB 3.44Å; K683-E687 WeakPolarHBondContact O-CG 3.39Å; K683-E687 PolarHBondContact O-N 3.2Å; S684-E687 PolarHBondContact O-N 2.98Å; E687-K691 WeakPolarHBondContact O-CG 3.34Å; E687-K691 PolarHBondContact O-N 3.2Å |
| 688 | Q | 87.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.3 | -71.7 | 177.6 | -2.9 | 0 | 0 | 112.3 | L672 S684 I685 L686 K690 K691 | L672-Q688 HydrophobicContact CD1-CB 3.92Å; S684-Q688 VanDerWaalsContact O-CG 3.32Å; S684-Q688 WeakPolarHBondContact O-CG 3.45Å; S684-Q688 PolarHBondContact O-N 3.32Å; I685-Q688 PolarHBondContact O-N 3.26Å; L686-Q688 VanDerWaalsContact C-N 3.32Å; L686-Q688 PolarHBondContact O-N 3.29Å; Q688-K690 VanDerWaalsContact C-N 3.33Å; Q688-K690 PolarHBondContact O-N 2.92Å; Q688-K691 WeakPolarHBondContact O-CB 3.36Å; Q688-K691 PolarHBondContact O-N 2.73Å |
| 689 | W | 89.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 1% | 0.011 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 176.7 | -177.3 | -91.5 | 0 | 0 | 0 | 112.9 | K646 L648 I685 L686 K691 I699 L701 I713 D715 A716 | K646-W689 HydrophobicContact CB-CH2 3.74Å; K646-W689 HydrophobicContact CB-CZ2 3.74Å; K646-W689 HydrophobicContact CD-CZ2 3.91Å; K646-W689 HydrophobicContact CG-CZ2 4.36Å; K646-W689 PolarHBondContact NZ-O 3.28Å; L648-W689 HydrophobicContact CD2-CH2 3.56Å; L648-W689 HydrophobicContact CD2-CZ2 4.12Å; L648-W689 HydrophobicContact CD2-CZ3 3.93Å; L648-W689 HydrophobicContact CG-CH2 3.84Å; L648-W689 HydrophobicContact CG-CZ2 4.32Å; I685-W689 WeakPolarHBondContact O-CB 3.43Å; I685-W689 PolarHBondContact O-N 2.83Å; L686-W689 PolarHBondContact O-N 3.48Å; W689-K691 VanDerWaalsContact C-N 3.31Å; W689-K691 PolarHBondContact O-N 3.41Å; W689-I699 HydrophobicContact CE3-CD1 4.34Å; W689-I699 HydrophobicContact CE3-CG1 4.34Å; W689-I699 HydrophobicContact CE3-CG2 4.33Å; W689-I699 HydrophobicContact CZ3-CG2 4.18Å; W689-L701 HydrophobicContact CE3-CB 3.85Å; W689-L701 HydrophobicContact CE3-CD2 4.16Å; W689-L701 HydrophobicContact CZ3-CB 3.57Å; W689-L701 HydrophobicContact CZ3-CD2 4.41Å; W689-I713 HydrophobicContact CD2-CD1 4.04Å; W689-I713 HydrophobicContact CG-CD1 4.18Å; W689-I713 HydrophobicContact CG-CG1 4.46Å; W689-I713 HydrophobicContact CZ2-CD1 4.43Å; W689-I713 HydrophobicContact CZ2-CG2 3.66Å; W689-D715 PolarHBondContact NE1-OD1 3.37Å; W689-A716 HydrophobicContact CZ2-CB 4.12Å |
| 690 | K | 85.9 | Confident | 83.7 | Confident | 153 Ų | 153 | 78.1 Ų | 78.1 | 67% | 0.665 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -78.7 | -8.6 | -178.7 | -73.2 | -180 | 179.7 | -176 | 0 | 114 | L686 Q688 K692 | L686-K690 VanDerWaalsContact O-CB 3.31Å; L686-K690 WeakPolarHBondContact O-CB 3.49Å; L686-K690 VanDerWaalsContact O-CG 3.27Å; L686-K690 WeakPolarHBondContact O-CG 3.39Å; L686-K690 PolarHBondContact O-N 2.89Å; Q688-K690 VanDerWaalsContact C-N 3.33Å; Q688-K690 PolarHBondContact O-N 2.92Å; K690-K692 PolarHBondContact O-N 2.76Å |
| 691 | K | 85.9 | Confident | 84.7 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -58.2 | 138.3 | 175.6 | -76.5 | 178.1 | -176.9 | -178 | 0 | 110.1 | E687 Q688 W689 L693 | E687-K691 WeakPolarHBondContact O-CG 3.34Å; E687-K691 PolarHBondContact O-N 3.2Å; Q688-K691 WeakPolarHBondContact O-CB 3.36Å; Q688-K691 PolarHBondContact O-N 2.73Å; W689-K691 VanDerWaalsContact C-N 3.31Å; W689-K691 PolarHBondContact O-N 3.41Å; K691-L693 PolarHBondContact O-N 2.7Å |
| 692 | K | 79.4 | Confident | 85.6 | Confident | 214 Ų | 214 | 64.6 Ų | 64.6 | 93% | 0.93 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 122.8 | 173.2 | -76.3 | -169 | 175.9 | -174.8 | 0 | 108.8 | K690 | K690-K692 PolarHBondContact O-N 2.76Š|
| 693 | L | 81.1 | Confident | 86.2 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 137.7 | -179.8 | -70.6 | 175.4 | 0 | 0 | 0 | 110 | A644 K646 K691 S697 I699 | A644-L693 HydrophobicContact CB-CB 3.63Å; A644-L693 HydrophobicContact CB-CD1 4.44Å; K646-L693 HydrophobicContact CD-CD1 4.3Å; K646-L693 HydrophobicContact CG-CD1 3.63Å; K691-L693 PolarHBondContact O-N 2.7Å; L693-S697 VanDerWaalsContact CB-OG 3.3Å; L693-S697 WeakPolarHBondContact CB-OG 3.4Å; L693-I699 HydrophobicContact CD1-CB 4.37Å; L693-I699 HydrophobicContact CD1-CG2 3.59Å; L693-I699 HydrophobicContact CD2-CB 4.5Å; L693-I699 HydrophobicContact CD2-CG2 4.49Å |
| 694 | S | 79.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 152.6 | 171.3 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | G696 S697 | S694-G696 PolarHBondContact O-N 2.98Å; S694-S697 PolarHBondContact N-OG 2.82Å; S694-S697 WeakPolarHBondContact O-CB 3.5Å; S694-S697 PolarHBondContact O-N 2.94Å; S694-S697 PolarHBondContact O-OG 3.09Å |
| 695 | P | 74.9 | Confident | 86.8 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 75% | 0.747 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 137.3 | 168.5 | -22.6 | 33.2 | 0 | 0 | 0 | 110.3 | ||
| 696 | G | 73.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -4.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | P641 S694 | P641-G696 WeakPolarHBondContact O-CA 3.43Å; S694-G696 PolarHBondContact O-N 2.98Å |
| 697 | S | 84 | Confident | 86.9 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -96.3 | 137.6 | 177.8 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | A644 Q645 L693 S694 | A644-S697 WeakPolarHBondContact CA-O 3.5Å; Q645-S697 PolarHBondContact N-O 3.04Å; L693-S697 VanDerWaalsContact CB-OG 3.3Å; L693-S697 WeakPolarHBondContact CB-OG 3.4Å; S694-S697 PolarHBondContact N-OG 2.82Å; S694-S697 WeakPolarHBondContact O-CB 3.5Å; S694-S697 PolarHBondContact O-N 2.94Å; S694-S697 PolarHBondContact O-OG 3.09Å | ||
| 698 | H | 88.9 | Confident | 86.9 | Confident | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.4 | 179.8 | -171.9 | -169.3 | 0 | 0 | 0 | 109.7 | D638 P641 T647 I669 | D638-H698 PolarHBondContact O-ND1 2.84Å; D638-H698 VanDerWaalsContact O-ND1 3.13Å; P641-H698 HydrophobicContact CG-CB 4.1Å; T647-H698 PolarHBondContact OG1-NE2 3.41Å; I669-H698 HydrophobicContact CG2-CB 4.46Å |
| 699 | I | 91.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.8 | 169 | -172.3 | 161.2 | 0 | 0 | 0 | 109.3 | Q645 K646 T647 F670 L672 W689 L693 | Q645-I699 PolarHBondContact O-N 2.92Å; K646-I699 HydrophobicContact CB-CG2 4.12Å; K646-I699 HydrophobicContact CD-CG2 4.44Å; K646-I699 HydrophobicContact CG-CG2 3.71Å; T647-I699 PolarHBondContact N-O 2.86Å; F670-I699 HydrophobicContact CD1-CB 4.49Å; F670-I699 HydrophobicContact CD1-CD1 3.98Å; F670-I699 HydrophobicContact CD1-CG1 3.86Å; F670-I699 HydrophobicContact CE1-CD1 3.88Å; F670-I699 HydrophobicContact CE1-CG1 4.22Å; L672-I699 HydrophobicContact CD1-CD1 3.95Å; L672-I699 HydrophobicContact CD1-CG1 4.49Å; W689-I699 HydrophobicContact CE3-CD1 4.34Å; W689-I699 HydrophobicContact CE3-CG1 4.34Å; W689-I699 HydrophobicContact CE3-CG2 4.33Å; W689-I699 HydrophobicContact CZ3-CG2 4.18Å; L693-I699 HydrophobicContact CD1-CB 4.37Å; L693-I699 HydrophobicContact CD1-CG2 3.59Å; L693-I699 HydrophobicContact CD2-CB 4.5Å; L693-I699 HydrophobicContact CD2-CG2 4.49Å |
| 700 | V | 93.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.6 | 173 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | L637 T647 I649 V664 I669 F670 C671 L672 | L637-V700 HydrophobicContact CD2-CG2 4.49Å; T647-V700 CarbonylContact O-C 3.08Å; T647-V700 WeakPolarHBondContact O-CA 3.41Å; I649-V700 HydrophobicContact CD1-CG1 3.38Å; I649-V700 HydrophobicContact CG1-CG1 3.84Å; V664-V700 HydrophobicContact CG1-CB 4.17Å; V664-V700 HydrophobicContact CG1-CG1 4.22Å; V664-V700 HydrophobicContact CG1-CG2 4.11Å; I669-V700 HydrophobicContact CG2-CB 4.23Å; I669-V700 HydrophobicContact CG2-CG2 3.49Å; I669-V700 VanDerWaalsContact CG2-CG2 3.49Å; F670-V700 PolarHBondContact O-N 3.37Å; C671-V700 CarbonylContact C-O 3.48Å; C671-V700 WeakPolarHBondContact CA-O 3.37Å; C671-V700 HydrophobicContact CB-CB 4.37Å; L672-V700 PolarHBondContact N-O 3.38Å |
| 701 | L | 94.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.9 | 167.3 | 168.6 | 66.3 | 0 | 0 | 0 | 108.6 | T647 L648 I649 L672 M674 I685 W689 L703 L711 I713 | T647-L701 PolarHBondContact O-N 3.04Å; L648-L701 WeakPolarHBondContact CA-O 3.42Å; L648-L701 HydrophobicContact CD2-CB 3.9Å; L648-L701 HydrophobicContact CD2-CD2 3.8Å; L648-L701 HydrophobicContact CD2-CG 4.05Å; I649-L701 PolarHBondContact N-O 2.99Å; L672-L701 HydrophobicContact CB-CB 4.31Å; L672-L701 HydrophobicContact CB-CD1 3.59Å; L672-L701 WeakPolarHBondContact O-CA 3.38Å; M674-L701 HydrophobicContact CB-CD1 4.06Å; I685-L701 HydrophobicContact CG2-CD1 4.09Å; I685-L701 HydrophobicContact CG2-CD2 4.44Å; W689-L701 HydrophobicContact CE3-CB 3.85Å; W689-L701 HydrophobicContact CE3-CD2 4.16Å; W689-L701 HydrophobicContact CZ3-CB 3.57Å; W689-L701 HydrophobicContact CZ3-CD2 4.41Å; L701-L703 HydrophobicContact CG-CD2 4.41Å; L701-L703 WeakPolarHBondContact O-CD2 3.28Å; L701-L711 HydrophobicContact CD2-CD1 3.98Å; L701-I713 HydrophobicContact CD2-CD1 3.65Å |
| 702 | T | 95.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.6 | 174.9 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | I649 T651 T657 V660 C671 L672 K673 M674 | I649-T702 HydrophobicContact CB-CG2 4.31Å; I649-T702 HydrophobicContact CG2-CG2 4.45Å; I649-T702 CarbonylContact O-C 3.58Å; I649-T702 WeakPolarHBondContact O-CA 3.46Å; T651-T702 HydrophobicContact CG2-CG2 3.94Å; T657-T702 HydrophobicContact CG2-CG2 3.82Å; V660-T702 HydrophobicContact CB-CG2 4.01Å; V660-T702 HydrophobicContact CG1-CG2 3.76Å; C671-T702 PolarHBondContact SG-OG1 2.84Å; C671-T702 VanDerWaalsContact SG-OG1 3.39Å; L672-T702 PolarHBondContact O-N 3.31Å; K673-T702 CarbonylContact C-O 3.54Å; K673-T702 VanDerWaalsContact CA-O 3.3Å; K673-T702 WeakPolarHBondContact CA-O 3.41Å; M674-T702 PolarHBondContact N-O 3.39Å |
| 703 | L | 94.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.2 | -174.9 | 72.6 | 168.1 | 0 | 0 | 0 | 115.6 | L648 I649 F650 T651 M674 L701 C707 L711 | L648-L703 HydrophobicContact CB-CD2 4.14Å; L648-L703 HydrophobicContact CD2-CD2 3.89Å; I649-L703 PolarHBondContact O-N 2.74Å; F650-L703 WeakPolarHBondContact CA-O 3.46Å; F650-L703 HydrophobicContact CD1-CD1 4.47Å; F650-L703 HydrophobicContact CD1-CD2 3.91Å; F650-L703 HydrophobicContact CD1-CG 3.83Å; F650-L703 HydrophobicContact CE1-CD1 3.7Å; F650-L703 HydrophobicContact CE1-CD2 3.67Å; F650-L703 HydrophobicContact CE1-CG 3.54Å; F650-L703 HydrophobicContact CE2-CD2 4.47Å; F650-L703 HydrophobicContact CG-CD2 4.4Å; F650-L703 HydrophobicContact CZ-CD1 4.24Å; F650-L703 HydrophobicContact CZ-CD2 3.99Å; F650-L703 HydrophobicContact CZ-CG 4.28Å; T651-L703 PolarHBondContact N-O 3.24Å; T651-L703 PolarHBondContact OG1-O 3.1Å; M674-L703 HydrophobicContact CB-CB 4.15Å; M674-L703 WeakPolarHBondContact O-CA 3.36Å; M674-L703 WeakPolarHBondContact O-CB 3.46Å; L701-L703 HydrophobicContact CG-CD2 4.41Å; L701-L703 WeakPolarHBondContact O-CD2 3.28Å; L703-C707 HydrophobicContact CD1-CB 4.4Å; L703-L711 HydrophobicContact CD1-CD1 3.62Å |
| 704 | T | 92.8 | Very high | 86.6 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 152.7 | 168.5 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | M674 H675 D706 C707 | M674-T704 PolarHBondContact O-N 3.47Å; H675-T704 HydrophobicContact CB-CG2 4.06Å; T704-D706 VanDerWaalsContact C-N 3.25Å; T704-D706 PolarHBondContact O-N 3.15Å; T704-D706 VanDerWaalsContact O-N 3.15Å; T704-C707 WeakPolarHBondContact O-CB 3.12Å; T704-C707 PolarHBondContact O-N 2.98Å |
| 705 | D | 89.7 | Confident | 87.1 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.7 | -33.9 | -176.5 | -70 | -47.5 | 0 | 0 | 0 | 114.7 | C707 I708 V730 R734 | D705-C707 PolarHBondContact O-N 3.36Å; D705-I708 HydrophobicContact CB-CD1 4.45Å; D705-I708 WeakPolarHBondContact O-CG1 3.39Å; D705-I708 PolarHBondContact O-N 3.11Å; D705-I708 VanDerWaalsContact O-N 3.15Å; D705-V730 HydrophobicContact CB-CG1 4.16Å; D705-V730 VanDerWaalsContact OD1-CG1 3.31Å; D705-V730 WeakPolarHBondContact OD1-CG1 3.5Å; D705-V730 WeakPolarHBondContact OD2-CG1 3.31Å; D705-R734 VanDerWaalsContact CG-NH2 3.32Å; D705-R734 IonicContact OD1-CZ 2.72Å; D705-R734 VanDerWaalsContact OD1-CZ 3.29Å; D705-R734 IonicContact OD1-NE 3.29Å; D705-R734 PolarHBondContact OD1-NE 2.99Å; D705-R734 IonicContact OD1-NH2 3.7Å; D705-R734 PolarHBondContact OD1-NH2 2.94Å; D705-R734 VanDerWaalsContact OD1-NH2 3.1Å; D705-R734 IonicContact OD2-CZ 2.94Å; D705-R734 IonicContact OD2-NE 2.77Å; D705-R734 IonicContact OD2-NH2 2.68Å; D705-R734 PolarHBondContact OD2-NH2 2.95Å |
| 706 | D | 87.8 | Confident | 87.9 | Confident | 107 Ų | 107 | 29.3 Ų | 29.3 | 57% | 0.572 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -59.1 | -20.6 | 178.3 | -68.6 | -34.4 | 0 | 0 | 0 | 113.5 | T704 | T704-D706 VanDerWaalsContact C-N 3.25Å; T704-D706 PolarHBondContact O-N 3.15Å; T704-D706 VanDerWaalsContact O-N 3.15Å |
| 707 | C | 87.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -88.7 | -12.8 | -176.7 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | M674 H675 L703 T704 D705 L710 L711 | M674-C707 HydrophobicContact CG-CB 3.74Å; H675-C707 VanDerWaalsContact C-SG 3.52Å; H675-C707 VanDerWaalsContact CA-SG 3.51Å; L703-C707 HydrophobicContact CD1-CB 4.4Å; T704-C707 WeakPolarHBondContact O-CB 3.12Å; T704-C707 PolarHBondContact O-N 2.98Å; D705-C707 PolarHBondContact O-N 3.36Å; C707-L710 WeakPolarHBondContact O-CB 3.36Å; C707-L710 PolarHBondContact O-N 3.22Å; C707-L710 VanDerWaalsContact O-N 3.16Å; C707-L711 HydrophobicContact CB-CD1 4.32Å; C707-L711 WeakPolarHBondContact O-CG 3.11Å; C707-L711 PolarHBondContact O-N 2.87Å; C707-L711 VanDerWaalsContact O-N 3.15Å |
| 708 | I | 85.6 | Confident | 89.2 | Confident | 29 Ų | 29 | 27.5 Ų | 27.5 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -51.7 | -178.7 | -62.7 | 167.4 | 0 | 0 | 0 | 111.5 | F650 D705 L710 L711 A712 R734 | F650-I708 HydrophobicContact CD1-CD1 4.28Å; F650-I708 HydrophobicContact CD1-CG1 4.49Å; F650-I708 HydrophobicContact CE1-CD1 3.54Å; F650-I708 HydrophobicContact CE1-CG1 3.47Å; F650-I708 VanDerWaalsContact CE1-CG1 3.47Å; F650-I708 HydrophobicContact CZ-CD1 4.03Å; F650-I708 HydrophobicContact CZ-CG1 3.99Å; D705-I708 HydrophobicContact CB-CD1 4.45Å; D705-I708 WeakPolarHBondContact O-CG1 3.39Å; D705-I708 PolarHBondContact O-N 3.11Å; D705-I708 VanDerWaalsContact O-N 3.15Å; I708-L710 PolarHBondContact O-N 2.69Å; I708-L711 PolarHBondContact O-N 2.92Å; I708-A712 PolarHBondContact O-N 2.8Å; I708-R734 HydrophobicContact CD1-CG 3.81Å |
| 709 | P | 81 | Confident | 89.5 | Confident | 80 Ų | 80 | 26.5 Ų | 26.5 | 52% | 0.519 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.4 | -23.5 | -178 | -18.1 | 33.4 | 0 | 0 | 0 | 113.1 | L371 | L371-P709 HydrophobicContact CD2-CB 4.22Å; L371-P709 WeakPolarHBondContact CD2-O 3.47Å |
| 710 | L | 80.1 | Confident | 89.7 | Confident | 73 Ų | 73 | 26.3 Ų | 26.3 | 38% | 0.382 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -78.1 | -35.7 | -177.9 | -60.2 | 177.6 | 0 | 0 | 0 | 112.1 | L368 L682 C707 I708 | L368-L710 HydrophobicContact CD2-CD2 3.75Å; L682-L710 HydrophobicContact CD1-CB 3.66Å; C707-L710 WeakPolarHBondContact O-CB 3.36Å; C707-L710 PolarHBondContact O-N 3.22Å; C707-L710 VanDerWaalsContact O-N 3.16Å; I708-L710 PolarHBondContact O-N 2.69Å |
| 711 | L | 80.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -85.3 | -30.4 | -173.7 | -70.1 | 170.6 | 0 | 0 | 0 | 113 | M674 L682 L686 L701 L703 C707 I708 I713 | M674-L711 HydrophobicContact CB-CD1 4.46Å; M674-L711 HydrophobicContact CE-CD2 3.86Å; M674-L711 HydrophobicContact CG-CD1 4.15Å; L682-L711 HydrophobicContact CG-CD2 4.5Å; L686-L711 HydrophobicContact CD2-CB 4.35Å; L686-L711 HydrophobicContact CD2-CD2 3.85Å; L686-L711 VanDerWaalsContact CD2-O 3.29Å; L686-L711 WeakPolarHBondContact CD2-O 3.32Å; L686-L711 HydrophobicContact CG-CD2 4Å; L701-L711 HydrophobicContact CD2-CD1 3.98Å; L703-L711 HydrophobicContact CD1-CD1 3.62Å; C707-L711 HydrophobicContact CB-CD1 4.32Å; C707-L711 WeakPolarHBondContact O-CG 3.11Å; C707-L711 PolarHBondContact O-N 2.87Å; C707-L711 VanDerWaalsContact O-N 3.15Å; I708-L711 PolarHBondContact O-N 2.92Å; L711-I713 HydrophobicContact CB-CD1 3.91Å; L711-I713 HydrophobicContact CB-CG1 3.98Å; L711-I713 HydrophobicContact CD1-CD1 4.01Å; L711-I713 HydrophobicContact CG-CD1 4.42Å; L711-I713 PolarHBondContact O-N 3.06Å; L711-I713 VanDerWaalsContact O-N 3.12Å |
| 712 | A | 82.5 | Confident | 89.8 | Confident | 72 Ų | 72 | 26.9 Ų | 26.9 | 60% | 0.595 | 16% | 0.161 | S | C | * | . | trans | 47.9 | 38.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I708 | I708-A712 PolarHBondContact O-N 2.8Š| ||
| 713 | I | 88.8 | Confident | 89.7 | Confident | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | trans | -74.9 | 134 | 175.1 | -69.5 | 166.2 | 0 | 0 | 0 | 108.4 | L648 L686 W689 L701 L711 A716 C737 | L648-I713 HydrophobicContact CD1-CG2 4.13Å; L648-I713 HydrophobicContact CD2-CD1 4.21Å; L686-I713 HydrophobicContact CD2-CG1 4.41Å; W689-I713 HydrophobicContact CD2-CD1 4.04Å; W689-I713 HydrophobicContact CG-CD1 4.18Å; W689-I713 HydrophobicContact CG-CG1 4.46Å; W689-I713 HydrophobicContact CZ2-CD1 4.43Å; W689-I713 HydrophobicContact CZ2-CG2 3.66Å; L701-I713 HydrophobicContact CD2-CD1 3.65Å; L711-I713 HydrophobicContact CB-CD1 3.91Å; L711-I713 HydrophobicContact CB-CG1 3.98Å; L711-I713 HydrophobicContact CD1-CD1 4.01Å; L711-I713 HydrophobicContact CG-CD1 4.42Å; L711-I713 PolarHBondContact O-N 3.06Å; L711-I713 VanDerWaalsContact O-N 3.12Å; I713-A716 HydrophobicContact CG2-CB 4.43Å; I713-C737 HydrophobicContact CG2-CB 4.48Å; I713-C737 VanDerWaalsContact O-CA 3.24Å; I713-C737 WeakPolarHBondContact O-CA 3.24Å | ||
| 714 | T | 89.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 28 Ų | 28 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | trans | -134.2 | -9.6 | -179.1 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | Y736 C737 M738 S739 D740 | T714-Y736 HydrophobicContact CG2-CE1 4.24Å; T714-C737 CarbonylContact C-O 3.55Å; T714-C737 WeakPolarHBondContact CA-O 3.23Å; T714-C737 VanDerWaalsContact O-O 3.09Å; T714-M738 CarbonylContact O-C 3.55Å; T714-M738 WeakPolarHBondContact O-CA 3.41Å; T714-S739 WeakPolarHBondContact CG2-OG 3.36Å; T714-S739 PolarHBondContact O-N 3.36Å; T714-S739 VanDerWaalsContact O-N 3.12Å; T714-D740 VanDerWaalsContact CB-CG 3.45Å; T714-D740 WeakPolarHBondContact CB-OD1 3.5Å; T714-D740 WeakPolarHBondContact CB-OD2 3.45Å; T714-D740 WeakPolarHBondContact O-CB 3.48Å; T714-D740 PolarHBondContact O-N 2.86Å; T714-D740 PolarHBondContact OG1-OD1 3Å; T714-D740 VanDerWaalsContact OG1-OD1 3.11Å; T714-D740 PolarHBondContact OG1-OD2 2.75Å | ||
| 715 | D | 90.9 | Very high | 89.3 | Confident | 44 Ų | 44 | 27.7 Ų | 27.7 | 24% | 0.235 | 16% | 0.163 | C | C | . | . | trans | -102.9 | 15.7 | -172.6 | 69.1 | -27.9 | 0 | 0 | 0 | 114.2 | K646 W689 C737 D740 H741 | K646-D715 IonicContact NZ-OD2 3.46Å; K646-D715 PolarHBondContact NZ-OD2 3.15Å; W689-D715 PolarHBondContact NE1-OD1 3.37Å; D715-C737 PolarHBondContact N-O 2.83Å; D715-D740 PolarHBondContact N-OD2 3.21Å; D715-H741 VanDerWaalsContact C-NE2 3.34Å; D715-H741 PolarHBondContact O-NE2 3.25Å | ||
| 716 | A | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -65.9 | 140.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L648 W689 I713 C737 M738 H741 | L648-A716 HydrophobicContact CD1-CB 3.72Å; L648-A716 HydrophobicContact CG-CB 4Å; W689-A716 HydrophobicContact CZ2-CB 4.12Å; I713-A716 HydrophobicContact CG2-CB 4.43Å; A716-C737 VanDerWaalsContact CB-O 3.3Å; A716-C737 WeakPolarHBondContact CB-O 3.36Å; A716-C737 PolarHBondContact N-O 2.83Å; A716-M738 HydrophobicContact CB-CG 4.11Å; A716-M738 WeakPolarHBondContact O-CB 3.36Å; A716-M738 VanDerWaalsContact O-CG 3.31Å; A716-M738 WeakPolarHBondContact O-CG 3.42Å; A716-H741 PolarHBondContact O-CD2 2.96Å; A716-H741 PolarHBondContact O-NE2 3.15Å | ||
| 717 | T | 91.5 | Very high | 88.4 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 23% | 0.233 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -98.1 | -24.5 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | Q645 K646 T759 K760 | Q645-T717 WeakPolarHBondContact CG-OG1 3.28Å; K646-T717 PolarHBondContact N-OG1 2.99Å; K646-T717 PolarHBondContact O-N 2.89Å; K646-T717 PolarHBondContact O-OG1 3.26Å; T717-T759 VanDerWaalsContact O-CA 3.31Å; T717-T759 WeakPolarHBondContact O-CA 3.11Å; T717-K760 PolarHBondContact O-N 2.87Å |
| 718 | C | 92.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.6 | 177.5 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | K646 T647 L648 K760 | K646-C718 PolarHBondContact O-N 3.04Å; K646-C718 VanDerWaalsContact O-N 3.08Å; T647-C718 CarbonylContact C-O 3.55Å; T647-C718 VanDerWaalsContact CA-O 3.3Å; T647-C718 WeakPolarHBondContact CA-O 3.49Å; T647-C718 HydrophobicContact CG2-CB 4.09Å; L648-C718 PolarHBondContact N-O 3.08Å; C718-K760 CarbonylContact C-O 3.58Å; C718-K760 VanDerWaalsContact CA-O 3.28Å; C718-K760 WeakPolarHBondContact CA-O 3.26Å |
| 719 | V | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.3 | 172 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | L648 F650 R734 M738 K760 S761 V762 | L648-V719 HydrophobicContact CB-CG2 4.36Å; L648-V719 HydrophobicContact CD1-CG2 4.45Å; L648-V719 CarbonylContact O-C 3.57Å; L648-V719 WeakPolarHBondContact O-CA 3.28Å; F650-V719 HydrophobicContact CD2-CG1 3.75Å; F650-V719 HydrophobicContact CE2-CG1 3.7Å; V719-R734 HydrophobicContact CG1-CB 4.3Å; V719-M738 HydrophobicContact CB-CE 4.01Å; V719-M738 HydrophobicContact CB-SD 4.14Å; V719-M738 HydrophobicContact CG2-CE 3.78Å; V719-M738 HydrophobicContact CG2-CG 3.69Å; V719-M738 HydrophobicContact CG2-SD 3.69Å; V719-K760 PolarHBondContact N-O 3.5Å; V719-S761 CarbonylContact O-C 3.52Å; V719-S761 WeakPolarHBondContact O-CA 3.16Å; V719-V762 PolarHBondContact O-N 2.95Å |
| 720 | V | 96.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.7 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | L633 V636 T647 L648 I649 F650 F722 V762 | L633-V720 HydrophobicContact CD1-CB 4.5Å; L633-V720 HydrophobicContact CD1-CG1 3.74Å; V636-V720 HydrophobicContact CG1-CG2 4.37Å; T647-V720 HydrophobicContact CG2-CG2 3.93Å; L648-V720 PolarHBondContact O-N 2.98Å; I649-V720 WeakPolarHBondContact CA-O 3.43Å; I649-V720 HydrophobicContact CG1-CB 4.19Å; I649-V720 HydrophobicContact CG1-CG2 4.49Å; I649-V720 HydrophobicContact CG2-CB 4.45Å; F650-V720 PolarHBondContact N-O 3.31Å; V720-F722 PolarHBondContact O-N 2.87Å; V720-V762 CarbonylContact C-O 3.55Å; V720-V762 WeakPolarHBondContact CA-O 3.4Å; V720-V762 HydrophobicContact CG2-CB 4.4Å |
| 721 | H | 95.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 82.7 | 173.2 | -50.3 | -85.7 | 0 | 0 | 0 | 108.4 | L731 R734 S761 V762 L763 L764 | H721-L731 VanDerWaalsContact CE1-CD1 3.46Å; H721-L731 WeakPolarHBondContact CE1-CD1 3.08Å; H721-R734 WeakPolarHBondContact ND1-CD 3.47Å; H721-R734 PolarHBondContact ND1-NH1 3.39Å; H721-S761 PolarHBondContact NE2-OG 3.37Å; H721-V762 PolarHBondContact CD2-O 2.83Å; H721-V762 PolarHBondContact N-O 2.86Å; H721-L763 HydrophobicContact CB-CB 4.48Å; H721-L763 HydrophobicContact CB-CD1 3.52Å; H721-L764 PolarHBondContact O-N 2.9Å |
| 722 | F | 95.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -67.5 | -46.6 | 177.6 | -177.8 | -88.3 | 0 | 0 | 0 | 110.9 | K629 L633 I649 F650 T651 V660 V720 L764 | K629-F722 HydrophobicContact CB-CE1 4.46Å; K629-F722 HydrophobicContact CB-CE2 3.71Å; K629-F722 HydrophobicContact CB-CZ 3.66Å; K629-F722 HydrophobicContact CD-CE1 4.17Å; K629-F722 HydrophobicContact CD-CZ 4.18Å; L633-F722 HydrophobicContact CB-CD2 4.18Å; L633-F722 HydrophobicContact CB-CE2 4.23Å; L633-F722 HydrophobicContact CD2-CD2 3.86Å; L633-F722 HydrophobicContact CD2-CE2 4.05Å; L633-F722 HydrophobicContact CG-CD2 4.42Å; I649-F722 HydrophobicContact CG2-CB 3.72Å; F650-F722 WeakPolarHBondContact O-CB 3.46Å; F650-F722 PolarHBondContact O-N 3.36Å; F650-F722 VanDerWaalsContact O-N 3.11Å; T651-F722 HydrophobicContact CG2-CB 4.42Å; T651-F722 HydrophobicContact CG2-CD1 4.08Å; V660-F722 HydrophobicContact CG2-CD1 4Å; V660-F722 HydrophobicContact CG2-CD2 4.17Å; V660-F722 HydrophobicContact CG2-CE1 3.81Å; V660-F722 HydrophobicContact CG2-CE2 3.97Å; V660-F722 HydrophobicContact CG2-CG 4.18Å; V660-F722 HydrophobicContact CG2-CZ 3.78Å; V720-F722 PolarHBondContact O-N 2.87Å; F722-L764 HydrophobicContact CD2-CD1 3.86Å; F722-L764 HydrophobicContact CE2-CD1 4.44Å |
| 723 | S | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -98.8 | 137.3 | 166.8 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | F650 T651 C652 E656 R734 | F650-S723 PolarHBondContact O-N 3.48Å; T651-S723 WeakPolarHBondContact CA-OG 3.43Å; C652-S723 VanDerWaalsContact N-CB 3.31Å; C652-S723 PolarHBondContact N-OG 3.44Å; C652-S723 WeakPolarHBondContact SG-CB 3.47Å; C652-S723 PolarHBondContact SG-OG 3.21Å; C652-S723 VanDerWaalsContact SG-OG 3.35Å; E656-S723 PolarHBondContact OE1-OG 2.9Å; E656-S723 PolarHBondContact OE2-OG 3.39Å; S723-R734 PolarHBondContact O-NH1 2.98Å |
| 724 | F | 89.9 | Confident | 89.4 | Confident | 24 Ų | 24 | 22 Ų | 22 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 136 | -178.1 | -163.6 | -97 | 0 | 0 | 0 | 111.5 | L343 L763 L765 N769 H772 I776 | L343-F724 HydrophobicContact CD2-CD1 4.45Å; L343-F724 HydrophobicContact CD2-CE1 3.44Å; L343-F724 VanDerWaalsContact CD2-CE1 3.44Å; L343-F724 HydrophobicContact CD2-CZ 4.04Å; F724-L763 HydrophobicContact CD2-CD1 3.85Å; F724-L763 HydrophobicContact CE2-CD1 4.01Å; F724-L763 HydrophobicContact CE2-CD2 4.1Å; F724-L763 HydrophobicContact CE2-CG 4.48Å; F724-L765 HydrophobicContact CD2-CD1 4.23Å; F724-L765 HydrophobicContact CE2-CD1 4Å; F724-N769 HydrophobicContact CB-CB 4.41Å; F724-N769 WeakPolarHBondContact CB-ND2 3.34Å; F724-N769 HydrophobicContact CD1-CB 4.48Å; F724-N769 HydrophobicContact CD2-CB 4.03Å; F724-N769 HydrophobicContact CG-CB 4.04Å; F724-N769 WeakPolarHBondContact CG-ND2 3.11Å; F724-H772 AromaticContact CD1-CD2 3.9Å; F724-H772 HydrophobicContact CE1-CB 3.69Å; F724-H772 AromaticContact CE1-CD2 3.42Å; F724-H772 VanDerWaalsContact CE1-CD2 3.42Å; F724-H772 WeakPolarHBondContact CE1-CD2 3.43Å; F724-H772 AromaticContact CE1-CG 3.48Å; F724-H772 VanDerWaalsContact CE1-CG 3.48Å; F724-H772 HydrophobicContact CE2-CB 4.38Å; F724-H772 HydrophobicContact CZ-CB 3.46Å; F724-H772 VanDerWaalsContact CZ-CB 3.46Å; F724-H772 AromaticContact CZ-CG 3.83Å; F724-I776 HydrophobicContact CE2-CD1 3.4Å; F724-I776 VanDerWaalsContact CE2-CD1 3.4Å; F724-I776 HydrophobicContact CE2-CG1 4.21Å; F724-I776 HydrophobicContact CZ-CD1 3.68Å; F724-I776 HydrophobicContact CZ-CG1 4.16Å |
| 725 | P | 88.5 | Confident | 89.5 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 136.9 | -179.6 | 28.6 | -35.7 | 0 | 0 | 0 | 111.5 | S727 V730 L731 | P725-S727 PolarHBondContact O-N 3.32Å; P725-V730 HydrophobicContact CB-CG1 4.14Å; P725-L731 HydrophobicContact CB-CB 3.99Å; P725-L731 HydrophobicContact CG-CB 3.99Å; P725-L731 HydrophobicContact CG-CD1 4.18Å |
| 726 | S | 81.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 21.3 Ų | 21.3 | 41% | 0.406 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -74.9 | -22.5 | -176.6 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 727 | S | 78 | Confident | 89.5 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -153.1 | 162.9 | -179.6 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | P725 K729 V730 L731 | P725-S727 PolarHBondContact O-N 3.32Å; S727-K729 PolarHBondContact O-N 3.09Å; S727-V730 WeakPolarHBondContact O-CB 3.26Å; S727-V730 PolarHBondContact O-N 3.14Å; S727-V730 VanDerWaalsContact O-N 3.08Å; S727-V730 WeakPolarHBondContact OG-CG2 3.24Å; S727-V730 PolarHBondContact OG-N 3.47Å; S727-L731 PolarHBondContact O-N 3Å |
| 728 | P | 73.9 | Confident | 89.5 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 180 | -11.9 | 25.2 | 0 | 0 | 0 | 110.5 | K342 L343 F346 V730 L731 G732 | K342-P728 WeakPolarHBondContact O-CG 3.39Å; L343-P728 HydrophobicContact CB-CG 4.47Å; L343-P728 HydrophobicContact CD1-CB 4.14Å; L343-P728 HydrophobicContact CD1-CG 3.8Å; F346-P728 HydrophobicContact CB-CB 3.79Å; F346-P728 HydrophobicContact CB-CG 3.4Å; F346-P728 VanDerWaalsContact CB-CG 3.4Å; F346-P728 HydrophobicContact CD1-CB 3.98Å; F346-P728 HydrophobicContact CD1-CG 4.33Å; F346-P728 HydrophobicContact CD2-CB 4.33Å; F346-P728 HydrophobicContact CG-CB 3.77Å; F346-P728 HydrophobicContact CG-CG 3.97Å; P728-V730 VanDerWaalsContact C-N 3.27Å; P728-V730 PolarHBondContact O-N 3.2Å; P728-L731 PolarHBondContact O-N 3.28Å; P728-G732 PolarHBondContact O-N 2.82Å |
| 729 | K | 81.2 | Confident | 89.4 | Confident | 152 Ų | 152 | 20.3 Ų | 20.3 | 66% | 0.661 | 11% | 0.108 | S | C | * | . | H | α-helix | trans | -61.3 | -37.8 | 175.2 | -64.9 | -175 | 177.9 | -175.2 | 0 | 111.9 | S727 G733 | S727-K729 PolarHBondContact O-N 3.09Å; K729-G733 PolarHBondContact O-N 2.83Å |
| 730 | V | 88 | Confident | 89 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.5 | -48.5 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | D705 P725 S727 P728 G732 G733 R734 | D705-V730 HydrophobicContact CB-CG1 4.16Å; D705-V730 VanDerWaalsContact OD1-CG1 3.31Å; D705-V730 WeakPolarHBondContact OD1-CG1 3.5Å; D705-V730 WeakPolarHBondContact OD2-CG1 3.31Å; P725-V730 HydrophobicContact CB-CG1 4.14Å; S727-V730 WeakPolarHBondContact O-CB 3.26Å; S727-V730 PolarHBondContact O-N 3.14Å; S727-V730 VanDerWaalsContact O-N 3.08Å; S727-V730 WeakPolarHBondContact OG-CG2 3.24Å; S727-V730 PolarHBondContact OG-N 3.47Å; P728-V730 VanDerWaalsContact C-N 3.27Å; P728-V730 PolarHBondContact O-N 3.2Å; V730-G732 VanDerWaalsContact C-N 3.34Å; V730-G732 PolarHBondContact O-N 2.87Å; V730-G733 PolarHBondContact O-N 2.56Å; V730-G733 VanDerWaalsContact O-N 3.16Å; V730-R734 WeakPolarHBondContact O-CG 3.17Å; V730-R734 PolarHBondContact O-N 3.4Å |
| 731 | L | 90.2 | Very high | 88.6 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.6 | -49.6 | 174.6 | 174.4 | 60 | 0 | 0 | 0 | 111.5 | H721 P725 S727 P728 G733 R734 L735 | H721-L731 VanDerWaalsContact CE1-CD1 3.46Å; H721-L731 WeakPolarHBondContact CE1-CD1 3.08Å; P725-L731 HydrophobicContact CB-CB 3.99Å; P725-L731 HydrophobicContact CG-CB 3.99Å; P725-L731 HydrophobicContact CG-CD1 4.18Å; S727-L731 PolarHBondContact O-N 3Å; P728-L731 PolarHBondContact O-N 3.28Å; L731-G733 PolarHBondContact O-N 3.16Å; L731-R734 WeakPolarHBondContact O-CB 3.37Å; L731-R734 PolarHBondContact O-N 3.18Å; L731-L735 HydrophobicContact CD1-CD1 3.93Å; L731-L735 HydrophobicContact CD1-CG 4.12Å; L731-L735 HydrophobicContact CG-CD1 3.97Å; L731-L735 VanDerWaalsContact O-CG 3.26Å; L731-L735 WeakPolarHBondContact O-CG 3.27Å; L731-L735 PolarHBondContact O-N 3.34Å |
| 732 | G | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L608 P728 V730 L735 Y736 | L608-G732 WeakPolarHBondContact CB-O 3.49Å; P728-G732 PolarHBondContact O-N 2.82Å; V730-G732 VanDerWaalsContact C-N 3.34Å; V730-G732 PolarHBondContact O-N 2.87Å; G732-L735 PolarHBondContact O-N 2.89Å; G732-Y736 VanDerWaalsContact O-CB 3.27Å; G732-Y736 WeakPolarHBondContact O-CB 3.44Å; G732-Y736 PolarHBondContact O-N 3.36Å |
| 733 | G | 90 | Very high | 86.8 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K729 V730 L731 Y736 | K729-G733 PolarHBondContact O-N 2.83Å; V730-G733 PolarHBondContact O-N 2.56Å; V730-G733 VanDerWaalsContact O-N 3.16Å; L731-G733 PolarHBondContact O-N 3.16Å; G733-Y736 PolarHBondContact O-N 2.92Å |
| 734 | R | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.3 | -66.5 | 178.3 | -176.4 | -168.8 | -0.4 | 111.6 | F650 D705 I708 V719 H721 S723 V730 L731 C737 | F650-R734 HydrophobicContact CB-CG 4.48Å; F650-R734 VanDerWaalsContact CB-CZ 3.44Å; F650-R734 HydrophobicContact CD1-CG 3.8Å; F650-R734 HydrophobicContact CD2-CB 3.87Å; F650-R734 HydrophobicContact CD2-CG 3.62Å; F650-R734 HydrophobicContact CE1-CG 3.84Å; F650-R734 HydrophobicContact CE2-CB 3.57Å; F650-R734 HydrophobicContact CE2-CG 3.64Å; F650-R734 HydrophobicContact CG-CB 4.45Å; F650-R734 HydrophobicContact CG-CG 3.69Å; F650-R734 HydrophobicContact CZ-CB 3.95Å; F650-R734 HydrophobicContact CZ-CG 3.75Å; D705-R734 VanDerWaalsContact CG-NH2 3.32Å; D705-R734 IonicContact OD1-CZ 2.72Å; D705-R734 VanDerWaalsContact OD1-CZ 3.29Å; D705-R734 IonicContact OD1-NE 3.29Å; D705-R734 PolarHBondContact OD1-NE 2.99Å; D705-R734 IonicContact OD1-NH2 3.7Å; D705-R734 PolarHBondContact OD1-NH2 2.94Å; D705-R734 VanDerWaalsContact OD1-NH2 3.1Å; D705-R734 IonicContact OD2-CZ 2.94Å; D705-R734 IonicContact OD2-NE 2.77Å; D705-R734 IonicContact OD2-NH2 2.68Å; D705-R734 PolarHBondContact OD2-NH2 2.95Å; I708-R734 HydrophobicContact CD1-CG 3.81Å; V719-R734 HydrophobicContact CG1-CB 4.3Å; H721-R734 WeakPolarHBondContact ND1-CD 3.47Å; H721-R734 PolarHBondContact ND1-NH1 3.39Å; S723-R734 PolarHBondContact O-NH1 2.98Å; V730-R734 WeakPolarHBondContact O-CG 3.17Å; V730-R734 PolarHBondContact O-N 3.4Å; L731-R734 WeakPolarHBondContact O-CB 3.37Å; L731-R734 PolarHBondContact O-N 3.18Å; R734-C737 WeakPolarHBondContact O-CB 3.42Å; R734-C737 PolarHBondContact O-N 2.61Å |
| 735 | L | 92.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.8 | -33.7 | 179.8 | -66.8 | 173 | 0 | 0 | 0 | 112.7 | E609 A612 L731 G732 C737 M738 S761 | E609-L735 HydrophobicContact CB-CD1 4.35Å; A612-L735 HydrophobicContact CB-CB 3.88Å; A612-L735 HydrophobicContact CB-CD1 3.76Å; A612-L735 HydrophobicContact CB-CG 4.27Å; L731-L735 HydrophobicContact CD1-CD1 3.93Å; L731-L735 HydrophobicContact CD1-CG 4.12Å; L731-L735 HydrophobicContact CG-CD1 3.97Å; L731-L735 VanDerWaalsContact O-CG 3.26Å; L731-L735 WeakPolarHBondContact O-CG 3.27Å; L731-L735 PolarHBondContact O-N 3.34Å; G732-L735 PolarHBondContact O-N 2.89Å; L735-C737 PolarHBondContact O-N 2.97Å; L735-C737 VanDerWaalsContact O-N 3.15Å; L735-M738 HydrophobicContact CB-CE 4.34Å; L735-M738 HydrophobicContact CD2-CE 3.58Å; L735-M738 PolarHBondContact O-N 3.39Å; L735-S761 VanDerWaalsContact CD2-OG 3.3Å; L735-S761 WeakPolarHBondContact CD2-OG 3.24Å |
| 736 | Y | 91.9 | Very high | 81.3 | Confident | 64 Ų | 64 | 38.6 Ų | 38.6 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -18.8 | 176.1 | -174.9 | -100.5 | 0 | 0 | 0 | 112.8 | V376 L608 T714 G732 G733 M738 S739 | V376-Y736 HydrophobicContact CG2-CD2 4Å; V376-Y736 HydrophobicContact CG2-CE2 3.68Å; L608-Y736 HydrophobicContact CD1-CD2 4.38Å; L608-Y736 HydrophobicContact CD1-CG 4.13Å; L608-Y736 HydrophobicContact CD2-CD2 3.65Å; L608-Y736 HydrophobicContact CD2-CE2 4.08Å; L608-Y736 HydrophobicContact CD2-CG 4.24Å; L608-Y736 HydrophobicContact CG-CD2 4.47Å; T714-Y736 HydrophobicContact CG2-CE1 4.24Å; G732-Y736 VanDerWaalsContact O-CB 3.27Å; G732-Y736 WeakPolarHBondContact O-CB 3.44Å; G732-Y736 PolarHBondContact O-N 3.36Å; G733-Y736 PolarHBondContact O-N 2.92Å; Y736-M738 PolarHBondContact O-N 2.97Å; Y736-S739 WeakPolarHBondContact O-CB 3.47Å; Y736-S739 PolarHBondContact O-N 3.01Å; Y736-S739 PolarHBondContact O-OG 2.86Å |
| 737 | C | 91.8 | Very high | 79.9 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -7.7 | 171.4 | -63.6 | 0 | 0 | 0 | 0 | 114.6 | L648 I713 T714 D715 A716 R734 L735 | L648-C737 HydrophobicContact CD1-CB 3.36Å; I713-C737 HydrophobicContact CG2-CB 4.48Å; I713-C737 VanDerWaalsContact O-CA 3.24Å; I713-C737 WeakPolarHBondContact O-CA 3.24Å; T714-C737 CarbonylContact C-O 3.55Å; T714-C737 WeakPolarHBondContact CA-O 3.23Å; T714-C737 VanDerWaalsContact O-O 3.09Å; D715-C737 PolarHBondContact N-O 2.83Å; A716-C737 VanDerWaalsContact CB-O 3.3Å; A716-C737 WeakPolarHBondContact CB-O 3.36Å; A716-C737 PolarHBondContact N-O 2.83Å; R734-C737 WeakPolarHBondContact O-CB 3.42Å; R734-C737 PolarHBondContact O-N 2.61Å; L735-C737 PolarHBondContact O-N 2.97Å; L735-C737 VanDerWaalsContact O-N 3.15Å |
| 738 | M | 92.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 10.8 | 174.2 | -55.7 | -179.1 | -78.7 | 0 | 0 | 112.8 | V617 T714 A716 V719 L735 Y736 D740 H741 F742 T759 | V617-M738 HydrophobicContact CG1-CE 3.65Å; V617-M738 HydrophobicContact CG1-SD 4.29Å; V617-M738 HydrophobicContact CG2-CE 4.23Å; T714-M738 CarbonylContact O-C 3.55Å; T714-M738 WeakPolarHBondContact O-CA 3.41Å; A716-M738 HydrophobicContact CB-CG 4.11Å; A716-M738 WeakPolarHBondContact O-CB 3.36Å; A716-M738 VanDerWaalsContact O-CG 3.31Å; A716-M738 WeakPolarHBondContact O-CG 3.42Å; V719-M738 HydrophobicContact CB-CE 4.01Å; V719-M738 HydrophobicContact CB-SD 4.14Å; V719-M738 HydrophobicContact CG2-CE 3.78Å; V719-M738 HydrophobicContact CG2-CG 3.69Å; V719-M738 HydrophobicContact CG2-SD 3.69Å; L735-M738 HydrophobicContact CB-CE 4.34Å; L735-M738 HydrophobicContact CD2-CE 3.58Å; L735-M738 PolarHBondContact O-N 3.39Å; Y736-M738 PolarHBondContact O-N 2.97Å; M738-D740 VanDerWaalsContact C-N 3.31Å; M738-D740 PolarHBondContact O-N 3.22Å; M738-H741 WeakPolarHBondContact O-CB 3.33Å; M738-H741 PolarHBondContact O-N 3Å; M738-F742 HydrophobicContact CB-CE1 4.1Å; M738-F742 WeakPolarHBondContact O-CD1 3.46Å; M738-F742 WeakPolarHBondContact O-CE1 3.36Å; M738-T759 HydrophobicContact CB-CG2 4.48Å |
| 739 | S | 89.7 | Confident | 77.2 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.9 | -24.6 | -169.5 | 50.4 | 0 | 0 | 0 | 0 | 115.7 | T714 Y736 H741 F742 | T714-S739 WeakPolarHBondContact CG2-OG 3.36Å; T714-S739 PolarHBondContact O-N 3.36Å; T714-S739 VanDerWaalsContact O-N 3.12Å; Y736-S739 WeakPolarHBondContact O-CB 3.47Å; Y736-S739 PolarHBondContact O-N 3.01Å; Y736-S739 PolarHBondContact O-OG 2.86Å; S739-H741 PolarHBondContact O-N 3.37Å; S739-F742 WeakPolarHBondContact O-CB 3.36Å; S739-F742 PolarHBondContact O-N 3.48Å; S739-F742 VanDerWaalsContact O-N 3.07Å |
| 740 | D | 88.1 | Confident | 75.5 | Confident | 103 Ų | 103 | 41.3 Ų | 41.3 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -64.8 | -20.5 | 174.4 | -69.5 | -17.9 | 0 | 0 | 0 | 112.1 | T714 D715 M738 | T714-D740 VanDerWaalsContact CB-CG 3.45Å; T714-D740 WeakPolarHBondContact CB-OD1 3.5Å; T714-D740 WeakPolarHBondContact CB-OD2 3.45Å; T714-D740 WeakPolarHBondContact O-CB 3.48Å; T714-D740 PolarHBondContact O-N 2.86Å; T714-D740 PolarHBondContact OG1-OD1 3Å; T714-D740 VanDerWaalsContact OG1-OD1 3.11Å; T714-D740 PolarHBondContact OG1-OD2 2.75Å; D715-D740 PolarHBondContact N-OD2 3.21Å; M738-D740 VanDerWaalsContact C-N 3.31Å; M738-D740 PolarHBondContact O-N 3.22Å |
| 741 | H | 86.6 | Confident | 73.6 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -96.2 | 1.5 | 177.7 | -55.6 | -75.4 | 0 | 0 | 0 | 113.1 | D715 A716 M738 S739 Q743 T759 | D715-H741 VanDerWaalsContact C-NE2 3.34Å; D715-H741 PolarHBondContact O-NE2 3.25Å; A716-H741 PolarHBondContact O-CD2 2.96Å; A716-H741 PolarHBondContact O-NE2 3.15Å; M738-H741 WeakPolarHBondContact O-CB 3.33Å; M738-H741 PolarHBondContact O-N 3Å; S739-H741 PolarHBondContact O-N 3.37Å; H741-Q743 PolarHBondContact O-N 3.28Å; H741-T759 HydrophobicContact CB-CG2 3.46Å; H741-T759 VanDerWaalsContact CB-CG2 3.46Å |
| 742 | F | 86.3 | Confident | 71.3 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | trans | -74.4 | 76.8 | 174.6 | -63.4 | -5.3 | 0 | 0 | 0 | 109.1 | V376 A611 A612 V617 M738 S739 | V376-F742 HydrophobicContact CG1-CD2 4.4Å; V376-F742 HydrophobicContact CG2-CD2 4.05Å; V376-F742 HydrophobicContact CG2-CE2 4.2Å; A611-F742 HydrophobicContact CB-CD2 4.36Å; A611-F742 HydrophobicContact CB-CE2 3.92Å; A612-F742 HydrophobicContact CB-CZ 4.27Å; V617-F742 HydrophobicContact CG2-CD1 4.21Å; V617-F742 HydrophobicContact CG2-CE1 3.53Å; V617-F742 HydrophobicContact CG2-CZ 4.35Å; M738-F742 HydrophobicContact CB-CE1 4.1Å; M738-F742 WeakPolarHBondContact O-CD1 3.46Å; M738-F742 WeakPolarHBondContact O-CE1 3.36Å; S739-F742 WeakPolarHBondContact O-CB 3.36Å; S739-F742 PolarHBondContact O-N 3.48Å; S739-F742 VanDerWaalsContact O-N 3.07Å | ||
| 743 | Q | 66.8 | Low | 69.1 | Low | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | trans | -69.8 | 142.8 | 178 | -69.6 | 177.6 | 1.3 | 0 | 0 | 110.7 | H741 | H741-Q743 PolarHBondContact O-N 3.28Š| ||
| 744 | S | 56.1 | Low | 67.1 | Low | 17 Ų | 17 | 58.4 Ų | 58.4 | 12% | 0.119 | 33% | 0.33 | C | S | . | . | trans | -68 | 133.5 | 169.9 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | R378 T746 E747 | R378-S744 PolarHBondContact NE-OG 2.85Å; R378-S744 VanDerWaalsContact NE-OG 3.15Å; R378-S744 PolarHBondContact NH2-OG 2.8Å; S744-T746 PolarHBondContact O-N 2.79Å; S744-T746 PolarHBondContact OG-OG1 3.43Å; S744-E747 WeakPolarHBondContact O-CB 3.34Å; S744-E747 PolarHBondContact O-N 3.17Å | ||
| 745 | L | 51.8 | Low | 64.6 | Low | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.6 | -175.9 | -74.1 | 154.4 | 0 | 0 | 0 | 114.6 | D591 R595 E747 Q748 | D591-L745 WeakPolarHBondContact OD1-CD1 3.24Å; R595-L745 VanDerWaalsContact NH2-CB 3.29Å; R595-L745 VanDerWaalsContact NH2-CD2 3.31Å; L745-E747 VanDerWaalsContact C-N 3.29Å; L745-Q748 HydrophobicContact CD2-CG 4.44Å; L745-Q748 PolarHBondContact O-N 3.28Å |
| 746 | T | 48.3 | Very low | 62.7 | Low | 99 Ų | 99 | 67.3 Ų | 67.3 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.1 | 170 | 34.5 | 0 | 0 | 0 | 0 | 113.9 | R378 S744 | R378-T746 PolarHBondContact NH2-OG1 3.11Å; S744-T746 PolarHBondContact O-N 2.79Å; S744-T746 PolarHBondContact OG-OG1 3.43Å |
| 747 | E | 51.5 | Low | 61.1 | Low | 146 Ų | 146 | 71.5 Ų | 71.5 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -8.3 | 176.3 | -60.9 | 175.8 | 168.4 | 0 | 0 | 111.8 | S744 L745 G749 | S744-E747 WeakPolarHBondContact O-CB 3.34Å; S744-E747 PolarHBondContact O-N 3.17Å; L745-E747 VanDerWaalsContact C-N 3.29Å; E747-G749 PolarHBondContact O-N 2.7Å |
| 748 | Q | 48.7 | Very low | 60.2 | Low | 50 Ų | 50 | 76.4 Ų | 76.4 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | trans | -77.3 | 104.6 | 174.4 | -77.5 | -167.7 | 10.4 | 0 | 0 | 109.3 | L745 Q754 | L745-Q748 HydrophobicContact CD2-CG 4.44Å; L745-Q748 PolarHBondContact O-N 3.28Å; Q748-Q754 VanDerWaalsContact CB-NE2 3.29Å; Q748-Q754 VanDerWaalsContact CD-NE2 3.31Å; Q748-Q754 VanDerWaalsContact CG-NE2 3.29Å; Q748-Q754 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 749 | G | 47.8 | Very low | 60 | Low | 42 Ų | 42 | 76.9 Ų | 76.9 | 43% | 0.433 | 43% | 0.434 | S | S | . | . | trans | -59.4 | -173.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E747 | E747-G749 PolarHBondContact O-N 2.7Š| ||
| 750 | S | 45 | Very low | 60.1 | Low | 58 Ų | 58 | 80.2 Ų | 80.2 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | trans | -58.3 | 150.7 | -173.9 | 73.1 | 0 | 0 | 0 | 0 | 113 | A752 E753 | S750-A752 PolarHBondContact O-N 3.23Å; S750-E753 PolarHBondContact O-N 3.17Å | ||
| 751 | P | 48.1 | Very low | 60.4 | Low | 119 Ų | 119 | 75.4 Ų | 75.4 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -24 | 179.3 | -23.9 | 32.2 | 0 | 0 | 0 | 114.2 | E753 | P751-E753 VanDerWaalsContact C-N 3.34Š|
| 752 | A | 41.6 | Very low | 60.8 | Low | 97 Ų | 97 | 72.6 Ų | 72.6 | 80% | 0.802 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S750 | S750-A752 PolarHBondContact O-N 3.23Š|
| 753 | E | 43.9 | Very low | 61.2 | Low | 152 Ų | 152 | 72.5 Ų | 72.5 | 71% | 0.71 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -9.9 | 178.7 | -67.4 | 178.9 | 160.1 | 0 | 0 | 113.1 | S750 P751 | S750-E753 PolarHBondContact O-N 3.17Å; P751-E753 VanDerWaalsContact C-N 3.34Å |
| 754 | Q | 46.3 | Very low | 62.5 | Low | 48 Ų | 48 | 67.7 Ų | 67.7 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | trans | -91.6 | 10.2 | -173.9 | -79 | -176.5 | -10.9 | 0 | 0 | 115.4 | Q748 D756 K757 | Q748-Q754 VanDerWaalsContact CB-NE2 3.29Å; Q748-Q754 VanDerWaalsContact CD-NE2 3.31Å; Q748-Q754 VanDerWaalsContact CG-NE2 3.29Å; Q748-Q754 VanDerWaalsContact OE1-NE2 3.16Å; Q754-D756 PolarHBondContact O-N 2.79Å; Q754-D756 VanDerWaalsContact O-N 3.15Å; Q754-K757 PolarHBondContact O-N 2.83Å | ||
| 755 | G | 42.3 | Very low | 64.2 | Low | 58 Ų | 58 | 66.9 Ų | 66.9 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 121.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K757 | G755-K757 PolarHBondContact O-N 3.12Š|
| 756 | D | 51 | Low | 66 | Low | 129 Ų | 129 | 66.1 Ų | 66.1 | 69% | 0.69 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 3.2 | 174.6 | -78.2 | -24.3 | 0 | 0 | 0 | 120.6 | Q754 | Q754-D756 PolarHBondContact O-N 2.79Å; Q754-D756 VanDerWaalsContact O-N 3.15Å |
| 757 | K | 59.8 | Low | 67.8 | Low | 152 Ų | 152 | 65.5 Ų | 65.5 | 66% | 0.661 | 37% | 0.367 | S | S | * | . | trans | -93 | 14 | -176.9 | -76.6 | -175.9 | -180 | 174.9 | 0 | 116.9 | Q754 G755 | Q754-K757 PolarHBondContact O-N 2.83Å; G755-K757 PolarHBondContact O-N 3.12Å | ||
| 758 | K | 72.6 | Confident | 69.3 | Low | 109 Ų | 109 | 67.4 Ų | 67.4 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | trans | -84.8 | 132.7 | -177.7 | -68.2 | -169.9 | 179 | -174.2 | 0 | 111.9 | ||||
| 759 | T | 88.4 | Confident | 70.9 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | trans | -63.4 | 141.8 | 170.1 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | Q618 T717 M738 H741 | Q618-T759 WeakPolarHBondContact CB-O 3.13Å; Q618-T759 PolarHBondContact N-O 2.78Å; T717-T759 VanDerWaalsContact O-CA 3.31Å; T717-T759 WeakPolarHBondContact O-CA 3.11Å; M738-T759 HydrophobicContact CB-CG2 4.48Å; H741-T759 HydrophobicContact CB-CG2 3.46Å; H741-T759 VanDerWaalsContact CB-CG2 3.46Å | ||
| 760 | K | 91.5 | Very high | 72.4 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133 | -171.8 | -62.8 | -179 | -176.4 | 171.4 | 0 | 111.2 | Q618 T717 C718 V719 | Q618-K760 HydrophobicContact CB-CG 4.35Å; T717-K760 PolarHBondContact O-N 2.87Å; C718-K760 CarbonylContact C-O 3.58Å; C718-K760 VanDerWaalsContact CA-O 3.28Å; C718-K760 WeakPolarHBondContact CA-O 3.26Å; V719-K760 PolarHBondContact N-O 3.5Å |
| 761 | S | 94.6 | Very high | 74 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.2 | 169.8 | 169.3 | 0 | 0 | 0 | 0 | 108.1 | Q618 Q619 V620 V719 H721 L735 | Q618-S761 PolarHBondContact O-N 3.17Å; Q619-S761 PolarHBondContact OE1-OG 2.8Å; V620-S761 PolarHBondContact N-O 3.41Å; V719-S761 CarbonylContact O-C 3.52Å; V719-S761 WeakPolarHBondContact O-CA 3.16Å; H721-S761 PolarHBondContact NE2-OG 3.37Å; L735-S761 VanDerWaalsContact CD2-OG 3.3Å; L735-S761 WeakPolarHBondContact CD2-OG 3.24Å |
| 762 | V | 94.8 | Very high | 75.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.9 | -177.7 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | V620 V636 V719 V720 H721 L764 | V620-V762 HydrophobicContact CB-CG2 4.33Å; V620-V762 CarbonylContact O-C 3.55Å; V620-V762 WeakPolarHBondContact O-CA 3.3Å; V636-V762 HydrophobicContact CG1-CB 4.03Å; V636-V762 HydrophobicContact CG1-CG1 3.71Å; V636-V762 HydrophobicContact CG1-CG2 3.87Å; V636-V762 HydrophobicContact CG2-CG1 3.99Å; V719-V762 PolarHBondContact O-N 2.95Å; V720-V762 CarbonylContact C-O 3.55Å; V720-V762 WeakPolarHBondContact CA-O 3.4Å; V720-V762 HydrophobicContact CG2-CB 4.4Å; H721-V762 PolarHBondContact CD2-O 2.83Å; H721-V762 PolarHBondContact N-O 2.86Å; V762-L764 HydrophobicContact CG1-CD2 4.49Å |
| 763 | L | 94.4 | Very high | 77.7 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.3 | -179.2 | 174.4 | 66.5 | 0 | 0 | 0 | 110.4 | V620 V621 H622 H721 F724 I776 | V620-L763 PolarHBondContact O-N 3.06Å; V621-L763 WeakPolarHBondContact CA-O 3.3Å; V621-L763 HydrophobicContact CG2-CB 4.19Å; V621-L763 HydrophobicContact CG2-CD2 4.21Å; H622-L763 PolarHBondContact N-O 3.13Å; H721-L763 HydrophobicContact CB-CB 4.48Å; H721-L763 HydrophobicContact CB-CD1 3.52Å; F724-L763 HydrophobicContact CD2-CD1 3.85Å; F724-L763 HydrophobicContact CE2-CD1 4.01Å; F724-L763 HydrophobicContact CE2-CD2 4.1Å; F724-L763 HydrophobicContact CE2-CG 4.48Å; L763-I776 HydrophobicContact CD2-CD1 4Å; L763-I776 HydrophobicContact CD2-CG1 4.15Å; L763-I776 HydrophobicContact CD2-CG2 3.95Å |
| 764 | L | 93.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.1 | 172.6 | -54.4 | -171.7 | 0 | 0 | 0 | 108.4 | H622 T632 L633 H721 F722 V762 | H622-L764 HydrophobicContact CB-CD2 3.95Å; T632-L764 HydrophobicContact CG2-CD2 3.85Å; L633-L764 HydrophobicContact CB-CD1 4.44Å; H721-L764 PolarHBondContact O-N 2.9Å; F722-L764 HydrophobicContact CD2-CD1 3.86Å; F722-L764 HydrophobicContact CE2-CD1 4.44Å; V762-L764 HydrophobicContact CG1-CD2 4.49Å |
| 765 | L | 91.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.1 | -178.7 | -175.5 | 63 | 0 | 0 | 0 | 109.9 | V621 H622 L623 C624 F724 N769 A773 I776 L791 F794 | V621-L765 HydrophobicContact CG1-CB 3.99Å; V621-L765 HydrophobicContact CG1-CD2 4.37Å; H622-L765 PolarHBondContact O-N 2.83Å; L623-L765 WeakPolarHBondContact CA-O 3.31Å; L623-L765 HydrophobicContact CD2-CB 4.19Å; L623-L765 HydrophobicContact CD2-CD2 3.82Å; L623-L765 HydrophobicContact CD2-CG 4.09Å; C624-L765 PolarHBondContact N-O 3.39Å; C624-L765 VanDerWaalsContact N-O 3.08Å; F724-L765 HydrophobicContact CD2-CD1 4.23Å; F724-L765 HydrophobicContact CE2-CD1 4Å; L765-N769 HydrophobicContact CD1-CB 3.75Å; L765-A773 HydrophobicContact CD2-CB 4.2Å; L765-I776 HydrophobicContact CD1-CD1 3.51Å; L765-I776 HydrophobicContact CD2-CD1 3.84Å; L765-I776 HydrophobicContact CG-CD1 4.28Å; L765-L791 HydrophobicContact CD2-CD1 3.74Å; L765-F794 HydrophobicContact CD2-CE1 4.45Å |
| 766 | T | 89.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | trans | -120.4 | 172.9 | -179.2 | 72.5 | 0 | 0 | 0 | 0 | 112.5 | C624 E626 K629 R768 N769 | C624-T766 VanDerWaalsContact O-CA 3.28Å; C624-T766 WeakPolarHBondContact O-CA 3.25Å; C624-T766 WeakPolarHBondContact O-CB 3.49Å; C624-T766 VanDerWaalsContact O-CG2 3.31Å; C624-T766 WeakPolarHBondContact O-CG2 3.46Å; E626-T766 WeakPolarHBondContact OE2-CB 3.24Å; E626-T766 PolarHBondContact OE2-OG1 2.96Å; K629-T766 HydrophobicContact CD-CG2 4.16Å; K629-T766 HydrophobicContact CG-CG2 3.87Å; T766-R768 PolarHBondContact O-N 3.27Å; T766-N769 PolarHBondContact O-N 2.86Å; T766-N769 PolarHBondContact OG1-OD1 3.4Å | ||
| 767 | E | 86.1 | Confident | 85.5 | Confident | 87 Ų | 87 | 37.6 Ų | 37.6 | 41% | 0.407 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -58.5 | -28.7 | 179.1 | 70.8 | -77.5 | -177.5 | 0 | 0 | 112.9 | L625 E626 N769 A770 | L625-E767 WeakPolarHBondContact CA-OE2 3.46Å; E626-E767 WeakPolarHBondContact CB-OE1 3.5Å; E626-E767 PolarHBondContact N-OE1 3.19Å; E626-E767 PolarHBondContact N-OE2 3.13Å; E626-E767 VanDerWaalsContact N-OE2 3.17Å; E767-N769 PolarHBondContact O-N 2.81Å; E767-A770 WeakPolarHBondContact O-CB 3.5Å; E767-A770 PolarHBondContact O-N 2.91Å |
| 768 | R | 83.8 | Confident | 86.8 | Confident | 186 Ų | 186 | 32.9 Ų | 32.9 | 70% | 0.702 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -66.1 | -22.8 | 176.5 | -63.9 | -171 | 177.3 | -166.1 | 0.9 | 112.9 | T766 | T766-R768 PolarHBondContact O-N 3.27Š|
| 769 | N | 82.8 | Confident | 87.5 | Confident | 25 Ų | 25 | 28.2 Ų | 28.2 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -108.5 | 14.4 | -176 | -56 | 109.8 | 0 | 0 | 0 | 112.9 | F724 L765 T766 E767 S771 H772 | F724-N769 HydrophobicContact CB-CB 4.41Å; F724-N769 WeakPolarHBondContact CB-ND2 3.34Å; F724-N769 HydrophobicContact CD1-CB 4.48Å; F724-N769 HydrophobicContact CD2-CB 4.03Å; F724-N769 HydrophobicContact CG-CB 4.04Å; F724-N769 WeakPolarHBondContact CG-ND2 3.11Å; L765-N769 HydrophobicContact CD1-CB 3.75Å; T766-N769 PolarHBondContact O-N 2.86Å; T766-N769 PolarHBondContact OG1-OD1 3.4Å; E767-N769 PolarHBondContact O-N 2.81Å; N769-S771 PolarHBondContact O-N 2.85Å; N769-S771 VanDerWaalsContact O-N 3.09Å; N769-H772 WeakPolarHBondContact O-CB 3.48Å; N769-H772 PolarHBondContact O-N 2.86Å |
| 770 | A | 79.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 28 Ų | 28 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -51.9 | -35.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E767 H772 A773 F794 V798 | E767-A770 WeakPolarHBondContact O-CB 3.5Å; E767-A770 PolarHBondContact O-N 2.91Å; A770-H772 PolarHBondContact O-N 3.19Å; A770-H772 VanDerWaalsContact O-N 3.09Å; A770-A773 VanDerWaalsContact O-CB 3.32Å; A770-A773 WeakPolarHBondContact O-CB 3.48Å; A770-A773 PolarHBondContact O-N 3.38Å; A770-A773 VanDerWaalsContact O-N 3.12Å; A770-F794 HydrophobicContact CB-CE1 4.21Å; A770-F794 HydrophobicContact CB-CE2 4.35Å; A770-F794 HydrophobicContact CB-CZ 3.54Å; A770-V798 HydrophobicContact CB-CG2 4.12Å; A770-V798 WeakPolarHBondContact O-CG1 3.28Å |
| 771 | S | 77.6 | Confident | 87.5 | Confident | 58 Ų | 58 | 27.3 Ų | 27.3 | 41% | 0.406 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -56.5 | -27.4 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | N769 K802 | N769-S771 PolarHBondContact O-N 2.85Å; N769-S771 VanDerWaalsContact O-N 3.09Å; S771-K802 PolarHBondContact O-NZ 3.01Å |
| 772 | H | 81.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -95 | -11.9 | -177.1 | -56.4 | -65.7 | 0 | 0 | 0 | 114 | L347 F724 N769 A770 V774 G775 I776 | L347-H772 HydrophobicContact CD1-CB 4.29Å; F724-H772 AromaticContact CD1-CD2 3.9Å; F724-H772 HydrophobicContact CE1-CB 3.69Å; F724-H772 AromaticContact CE1-CD2 3.42Å; F724-H772 VanDerWaalsContact CE1-CD2 3.42Å; F724-H772 WeakPolarHBondContact CE1-CD2 3.43Å; F724-H772 AromaticContact CE1-CG 3.48Å; F724-H772 VanDerWaalsContact CE1-CG 3.48Å; F724-H772 HydrophobicContact CE2-CB 4.38Å; F724-H772 HydrophobicContact CZ-CB 3.46Å; F724-H772 VanDerWaalsContact CZ-CB 3.46Å; F724-H772 AromaticContact CZ-CG 3.83Å; N769-H772 WeakPolarHBondContact O-CB 3.48Å; N769-H772 PolarHBondContact O-N 2.86Å; A770-H772 PolarHBondContact O-N 3.19Å; A770-H772 VanDerWaalsContact O-N 3.09Å; H772-V774 VanDerWaalsContact C-N 3.32Å; H772-V774 PolarHBondContact O-N 3.01Å; H772-G775 WeakPolarHBondContact O-CA 3.41Å; H772-G775 PolarHBondContact O-N 3.29Å; H772-I776 HydrophobicContact CB-CD1 4.29Å; H772-I776 WeakPolarHBondContact O-CG1 3.5Å; H772-I776 PolarHBondContact O-N 3.42Å |
| 773 | A | 86.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.8 | -44.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | L765 A770 G775 I776 L777 F794 T795 | L765-A773 HydrophobicContact CD2-CB 4.2Å; A770-A773 VanDerWaalsContact O-CB 3.32Å; A770-A773 WeakPolarHBondContact O-CB 3.48Å; A770-A773 PolarHBondContact O-N 3.38Å; A770-A773 VanDerWaalsContact O-N 3.12Å; A773-G775 PolarHBondContact O-N 2.81Å; A773-I776 PolarHBondContact O-N 2.81Å; A773-L777 PolarHBondContact O-N 3.08Å; A773-F794 HydrophobicContact CB-CD1 3.74Å; A773-F794 HydrophobicContact CB-CE1 3.59Å; A773-T795 HydrophobicContact CB-CG2 3.69Å |
| 774 | V | 86.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | H772 R778 V798 L799 R825 | H772-V774 VanDerWaalsContact C-N 3.32Å; H772-V774 PolarHBondContact O-N 3.01Å; V774-R778 WeakPolarHBondContact O-CG 3.47Å; V774-R778 PolarHBondContact O-N 3.26Å; V774-V798 HydrophobicContact CG2-CB 4.45Å; V774-V798 HydrophobicContact CG2-CG1 3.95Å; V774-L799 HydrophobicContact CG1-CD2 4Å; V774-L799 HydrophobicContact CG2-CD2 3.78Å; V774-L799 HydrophobicContact CG2-CG 3.83Å; V774-R825 HydrophobicContact CG1-CB 3.87Å; V774-R825 HydrophobicContact CG1-CG 4.43Å |
| 775 | G | 84.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L347 H772 A773 L777 R778 Y779 | L347-G775 VanDerWaalsContact CB-CA 3.47Å; L347-G775 VanDerWaalsContact CD2-O 3.26Å; L347-G775 WeakPolarHBondContact CD2-O 3.32Å; L347-G775 WeakPolarHBondContact O-CA 3.46Å; H772-G775 WeakPolarHBondContact O-CA 3.41Å; H772-G775 PolarHBondContact O-N 3.29Å; A773-G775 PolarHBondContact O-N 2.81Å; G775-L777 VanDerWaalsContact C-N 3.28Å; G775-L777 PolarHBondContact O-N 3.24Å; G775-R778 PolarHBondContact O-N 3.49Å; G775-Y779 PolarHBondContact O-N 3.33Å |
| 776 | I | 87.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.6 | -62.1 | 160 | 0 | 0 | 0 | 109.3 | L347 V621 F724 L763 L765 H772 A773 R778 Y779 L780 | L347-I776 HydrophobicContact CD1-CG1 4.49Å; V621-I776 HydrophobicContact CG2-CG2 3.85Å; F724-I776 HydrophobicContact CE2-CD1 3.4Å; F724-I776 VanDerWaalsContact CE2-CD1 3.4Å; F724-I776 HydrophobicContact CE2-CG1 4.21Å; F724-I776 HydrophobicContact CZ-CD1 3.68Å; F724-I776 HydrophobicContact CZ-CG1 4.16Å; L763-I776 HydrophobicContact CD2-CD1 4Å; L763-I776 HydrophobicContact CD2-CG1 4.15Å; L763-I776 HydrophobicContact CD2-CG2 3.95Å; L765-I776 HydrophobicContact CD1-CD1 3.51Å; L765-I776 HydrophobicContact CD2-CD1 3.84Å; L765-I776 HydrophobicContact CG-CD1 4.28Å; H772-I776 HydrophobicContact CB-CD1 4.29Å; H772-I776 WeakPolarHBondContact O-CG1 3.5Å; H772-I776 PolarHBondContact O-N 3.42Å; A773-I776 PolarHBondContact O-N 2.81Å; I776-R778 VanDerWaalsContact C-N 3.3Å; I776-R778 PolarHBondContact O-N 3.05Å; I776-Y779 WeakPolarHBondContact O-CB 3.39Å; I776-Y779 PolarHBondContact O-N 3.19Å; I776-Y779 VanDerWaalsContact O-N 3.08Å; I776-L780 HydrophobicContact CG2-CD1 4.11Å; I776-L780 HydrophobicContact CG2-CG 4.18Å; I776-L780 VanDerWaalsContact O-CG 3.32Å; I776-L780 WeakPolarHBondContact O-CG 3.32Å; I776-L780 PolarHBondContact O-N 3.16Å |
| 777 | L | 89.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.9 | -48.2 | 176 | -178.2 | 68 | 0 | 0 | 0 | 111.4 | A773 G775 Y779 L780 E781 I787 L791 Y792 T795 | A773-L777 PolarHBondContact O-N 3.08Å; G775-L777 VanDerWaalsContact C-N 3.28Å; G775-L777 PolarHBondContact O-N 3.24Å; L777-Y779 VanDerWaalsContact C-N 3.34Å; L777-Y779 PolarHBondContact O-N 2.98Å; L777-L780 PolarHBondContact O-N 3.3Å; L777-E781 WeakPolarHBondContact O-CB 3.33Å; L777-E781 VanDerWaalsContact O-CG 3.3Å; L777-E781 WeakPolarHBondContact O-CG 3.28Å; L777-E781 PolarHBondContact O-N 3.29Å; L777-I787 HydrophobicContact CD1-CD1 4.02Å; L777-I787 HydrophobicContact CD1-CG2 3.66Å; L777-L791 HydrophobicContact CD1-CD2 4.16Å; L777-L791 HydrophobicContact CD1-CG 4.33Å; L777-Y792 HydrophobicContact CD1-CD1 4.06Å; L777-Y792 HydrophobicContact CD1-CE1 3.71Å; L777-Y792 HydrophobicContact CD2-CD1 3.98Å; L777-Y792 HydrophobicContact CD2-CE1 4Å; L777-Y792 HydrophobicContact CG-CE1 4.33Å; L777-T795 HydrophobicContact CB-CG2 4.19Å; L777-T795 HydrophobicContact CD2-CG2 4.18Å |
| 778 | R | 87.1 | Confident | 86 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 177.2 | -66.6 | 172.1 | 81 | -133.5 | 5.9 | 112.5 | L347 V774 G775 I776 R782 D823 | L347-R778 PolarHBondContact O-NH1 2.56Å; V774-R778 WeakPolarHBondContact O-CG 3.47Å; V774-R778 PolarHBondContact O-N 3.26Å; G775-R778 PolarHBondContact O-N 3.49Å; I776-R778 VanDerWaalsContact C-N 3.3Å; I776-R778 PolarHBondContact O-N 3.05Å; R778-R782 WeakPolarHBondContact O-CG 3.37Å; R778-R782 PolarHBondContact O-N 3.35Å; R778-R782 VanDerWaalsContact O-N 3.14Å; R778-D823 IonicContact CZ-OD2 2.96Å; R778-D823 IonicContact NE-OD2 3.5Å; R778-D823 IonicContact NH2-OD2 2.82Å; R778-D823 PolarHBondContact NH2-OD2 3.47Å |
| 779 | Y | 87.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 175.6 | 179.1 | -104 | 0 | 0 | 0 | 111.7 | F346 E609 L613 Q619 G775 I776 L777 R782 A783 | F346-Y779 HydrophobicContact CE1-CD2 4.04Å; F346-Y779 HydrophobicContact CE1-CE2 4.5Å; F346-Y779 HydrophobicContact CZ-CD2 4.02Å; F346-Y779 HydrophobicContact CZ-CE2 4.23Å; E609-Y779 PolarHBondContact O-OH 2.63Å; L613-Y779 HydrophobicContact CD1-CE2 3.95Å; L613-Y779 HydrophobicContact CD2-CE2 4.03Å; L613-Y779 HydrophobicContact CG-CE2 4.09Å; Q619-Y779 HydrophobicContact CG-CE1 3.79Å; G775-Y779 PolarHBondContact O-N 3.33Å; I776-Y779 WeakPolarHBondContact O-CB 3.39Å; I776-Y779 PolarHBondContact O-N 3.19Å; I776-Y779 VanDerWaalsContact O-N 3.08Å; L777-Y779 VanDerWaalsContact C-N 3.34Å; L777-Y779 PolarHBondContact O-N 2.98Å; Y779-R782 PolarHBondContact O-N 3.24Å; Y779-A783 WeakPolarHBondContact O-CB 3.34Å; Y779-A783 PolarHBondContact O-N 3.26Å |
| 780 | L | 90 | Very high | 86.7 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 176.4 | -65.6 | 178.8 | 0 | 0 | 0 | 112.7 | Q619 V621 I776 L777 R782 A783 D784 A785 I787 L791 | Q619-L780 HydrophobicContact CB-CD2 3.61Å; V621-L780 HydrophobicContact CB-CD1 4.15Å; V621-L780 HydrophobicContact CG2-CD1 3.58Å; V621-L780 HydrophobicContact CG2-CD2 3.95Å; V621-L780 HydrophobicContact CG2-CG 4.19Å; I776-L780 HydrophobicContact CG2-CD1 4.11Å; I776-L780 HydrophobicContact CG2-CG 4.18Å; I776-L780 VanDerWaalsContact O-CG 3.32Å; I776-L780 WeakPolarHBondContact O-CG 3.32Å; I776-L780 PolarHBondContact O-N 3.16Å; L777-L780 PolarHBondContact O-N 3.3Å; L780-R782 PolarHBondContact O-N 3.17Å; L780-A783 CarbonylContact O-C 3.54Å; L780-A783 PolarHBondContact O-N 2.86Å; L780-A783 VanDerWaalsContact O-N 3.1Å; L780-D784 PolarHBondContact O-N 3.33Å; L780-A785 HydrophobicContact CB-CB 4.12Å; L780-A785 HydrophobicContact CD2-CB 3.9Å; L780-A785 PolarHBondContact O-N 3.48Å; L780-A785 VanDerWaalsContact O-N 3.08Å; L780-I787 HydrophobicContact CB-CD1 3.93Å; L780-I787 HydrophobicContact CB-CG1 3.76Å; L780-I787 HydrophobicContact CD1-CG1 4.1Å; L780-L791 HydrophobicContact CD1-CD2 3.76Å |
| 781 | E | 88.7 | Confident | 87.2 | Confident | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.7 | -40.8 | 175.2 | -76.2 | 171.6 | 161.3 | 0 | 0 | 110.1 | L777 D784 I787 R825 | L777-E781 WeakPolarHBondContact O-CB 3.33Å; L777-E781 VanDerWaalsContact O-CG 3.3Å; L777-E781 WeakPolarHBondContact O-CG 3.28Å; L777-E781 PolarHBondContact O-N 3.29Å; E781-D784 PolarHBondContact O-N 2.73Å; E781-I787 HydrophobicContact CB-CD1 4.44Å; E781-I787 HydrophobicContact CG-CD1 3.7Å; E781-R825 IonicContact OE1-NH1 2.8Å; E781-R825 PolarHBondContact OE1-NH1 2.93Å; E781-R825 IonicContact OE1-NH2 3.1Å; E781-R825 IonicContact OE2-NH1 3.58Å; E781-R825 PolarHBondContact OE2-NH1 3.38Å |
| 782 | R | 86.8 | Confident | 87.8 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.5 | -32.1 | 176.2 | -73.9 | 174.8 | 46.9 | -160.2 | -18.3 | 114.1 | H585 W586 E610 R778 Y779 L780 D784 | H585-R782 PolarHBondContact CE1-NH1 2.95Å; H585-R782 VanDerWaalsContact CE1-NH1 3.32Å; H585-R782 PolarHBondContact ND1-NH1 2.93Å; W586-R782 PolarHBondContact O-NH2 2.61Å; E610-R782 IonicContact OE1-CZ 3.71Å; E610-R782 IonicContact OE1-NH1 3.89Å; E610-R782 PolarHBondContact OE1-NH1 3.27Å; E610-R782 IonicContact OE1-NH2 3.55Å; E610-R782 PolarHBondContact OE1-NH2 3.42Å; E610-R782 IonicContact OE2-CZ 2.79Å; E610-R782 IonicContact OE2-NH2 3.02Å; E610-R782 PolarHBondContact OE2-NH2 3.09Å; R778-R782 WeakPolarHBondContact O-CG 3.37Å; R778-R782 PolarHBondContact O-N 3.35Å; R778-R782 VanDerWaalsContact O-N 3.14Å; Y779-R782 PolarHBondContact O-N 3.24Å; L780-R782 PolarHBondContact O-N 3.17Å; R782-D784 PolarHBondContact O-N 3.11Å |
| 783 | A | 85.5 | Confident | 88.1 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L613 Q619 Y779 L780 A785 | L613-A783 HydrophobicContact CD2-CB 3.53Å; Q619-A783 HydrophobicContact CB-CB 4.35Å; Q619-A783 HydrophobicContact CG-CB 3.84Å; Y779-A783 WeakPolarHBondContact O-CB 3.34Å; Y779-A783 PolarHBondContact O-N 3.26Å; L780-A783 CarbonylContact O-C 3.54Å; L780-A783 PolarHBondContact O-N 2.86Å; L780-A783 VanDerWaalsContact O-N 3.1Å; A783-A785 HydrophobicContact CB-CB 4.27Å; A783-A785 PolarHBondContact O-N 2.71Å |
| 784 | D | 84.6 | Confident | 88.2 | Confident | 143 Ų | 143 | 57 Ų | 57 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.3 | -171.2 | -158.2 | 36.5 | 0 | 0 | 0 | 111.6 | L780 E781 R782 | L780-D784 PolarHBondContact O-N 3.33Å; E781-D784 PolarHBondContact O-N 2.73Å; R782-D784 PolarHBondContact O-N 3.11Å |
| 785 | A | 88.1 | Confident | 88.3 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | trans | -79.4 | 155.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q619 L780 A783 I787 | Q619-A785 HydrophobicContact CB-CB 4.22Å; Q619-A785 WeakPolarHBondContact O-CB 3.23Å; L780-A785 HydrophobicContact CB-CB 4.12Å; L780-A785 HydrophobicContact CD2-CB 3.9Å; L780-A785 PolarHBondContact O-N 3.48Å; L780-A785 VanDerWaalsContact O-N 3.08Å; A783-A785 HydrophobicContact CB-CB 4.27Å; A783-A785 PolarHBondContact O-N 2.71Å; A785-I787 PolarHBondContact O-N 2.78Å | ||
| 786 | K | 88.7 | Confident | 88.5 | Confident | 194 Ų | 194 | 59.9 Ų | 59.9 | 84% | 0.843 | 30% | 0.302 | S | S | * | . | trans | -74.4 | 108.7 | 171 | -66.3 | -176.4 | -179.9 | -178.6 | 0 | 108.9 | ||||
| 787 | I | 91.7 | Very high | 88.4 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | trans | -95.1 | 124.7 | -177 | -62.6 | 164.3 | 0 | 0 | 0 | 109.8 | L777 L780 E781 A785 L791 Y792 | L777-I787 HydrophobicContact CD1-CD1 4.02Å; L777-I787 HydrophobicContact CD1-CG2 3.66Å; L780-I787 HydrophobicContact CB-CD1 3.93Å; L780-I787 HydrophobicContact CB-CG1 3.76Å; L780-I787 HydrophobicContact CD1-CG1 4.1Å; E781-I787 HydrophobicContact CB-CD1 4.44Å; E781-I787 HydrophobicContact CG-CD1 3.7Å; A785-I787 PolarHBondContact O-N 2.78Å; I787-L791 HydrophobicContact CG2-CB 4.31Å; I787-L791 HydrophobicContact CG2-CD2 4.12Å; I787-Y792 HydrophobicContact CB-CE2 3.99Å; I787-Y792 HydrophobicContact CG2-CD2 3.95Å; I787-Y792 HydrophobicContact CG2-CE2 3.46Å; I787-Y792 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 788 | P | 89.4 | Confident | 88.2 | Confident | 40 Ų | 40 | 62 Ų | 62 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | trans | -64.6 | 142.6 | 173.3 | -19.7 | 32 | 0 | 0 | 0 | 112.6 | E790 L791 | P788-E790 WeakPolarHBondContact CB-OE2 3.17Å; P788-E790 PolarHBondContact O-N 2.74Å; P788-L791 WeakPolarHBondContact O-CB 3.46Å; P788-L791 PolarHBondContact O-N 3.02Å; P788-L791 VanDerWaalsContact O-N 3.09Å | ||
| 789 | S | 89.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 177.5 | 34.4 | 0 | 0 | 0 | 0 | 112.7 | L791 Y792 E793 | S789-L791 PolarHBondContact O-N 3.27Å; S789-Y792 WeakPolarHBondContact O-CB 3.26Å; S789-Y792 PolarHBondContact O-N 3.08Å; S789-E793 PolarHBondContact O-N 2.84Å |
| 790 | E | 90 | Very high | 88.1 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -30.3 | 178.3 | -57.7 | 76.5 | -166.8 | 0 | 0 | 111.3 | L623 P788 F794 | L623-E790 HydrophobicContact CD1-CB 3.69Å; P788-E790 WeakPolarHBondContact CB-OE2 3.17Å; P788-E790 PolarHBondContact O-N 2.74Å; E790-F794 VanDerWaalsContact O-CB 3.23Å; E790-F794 WeakPolarHBondContact O-CB 3.33Å; E790-F794 PolarHBondContact O-N 2.73Å |
| 791 | L | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72 | -35.2 | 176.8 | -173.1 | 61.1 | 0 | 0 | 0 | 111.9 | L623 L765 L777 L780 I787 P788 S789 F794 T795 | L623-L791 HydrophobicContact CD1-CB 3.96Å; L623-L791 HydrophobicContact CD1-CD1 4.33Å; L623-L791 HydrophobicContact CD2-CD1 4.06Å; L623-L791 HydrophobicContact CG-CD1 4.5Å; L765-L791 HydrophobicContact CD2-CD1 3.74Å; L777-L791 HydrophobicContact CD1-CD2 4.16Å; L777-L791 HydrophobicContact CD1-CG 4.33Å; L780-L791 HydrophobicContact CD1-CD2 3.76Å; I787-L791 HydrophobicContact CG2-CB 4.31Å; I787-L791 HydrophobicContact CG2-CD2 4.12Å; P788-L791 WeakPolarHBondContact O-CB 3.46Å; P788-L791 PolarHBondContact O-N 3.02Å; P788-L791 VanDerWaalsContact O-N 3.09Å; S789-L791 PolarHBondContact O-N 3.27Å; L791-F794 HydrophobicContact CD1-CD1 4.34Å; L791-T795 HydrophobicContact CD1-CG2 4.19Å; L791-T795 HydrophobicContact CG-CG2 4.4Å; L791-T795 WeakPolarHBondContact O-CB 2.95Å; L791-T795 VanDerWaalsContact O-CG2 3.26Å; L791-T795 WeakPolarHBondContact O-CG2 3.29Å; L791-T795 PolarHBondContact O-N 2.96Å; L791-T795 PolarHBondContact O-OG1 3.4Å |
| 792 | Y | 90.3 | Very high | 87.7 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 174.5 | -76.2 | -71.5 | 0 | 0 | 0 | 111.3 | L777 I787 S789 T795 A796 | L777-Y792 HydrophobicContact CD1-CD1 4.06Å; L777-Y792 HydrophobicContact CD1-CE1 3.71Å; L777-Y792 HydrophobicContact CD2-CD1 3.98Å; L777-Y792 HydrophobicContact CD2-CE1 4Å; L777-Y792 HydrophobicContact CG-CE1 4.33Å; I787-Y792 HydrophobicContact CB-CE2 3.99Å; I787-Y792 HydrophobicContact CG2-CD2 3.95Å; I787-Y792 HydrophobicContact CG2-CE2 3.46Å; I787-Y792 VanDerWaalsContact CG2-CE2 3.46Å; S789-Y792 WeakPolarHBondContact O-CB 3.26Å; S789-Y792 PolarHBondContact O-N 3.08Å; Y792-T795 WeakPolarHBondContact CA-OG1 3.19Å; Y792-T795 PolarHBondContact O-N 3.32Å; Y792-T795 PolarHBondContact O-OG1 3Å; Y792-A796 WeakPolarHBondContact O-CB 3.42Å; Y792-A796 PolarHBondContact O-N 2.92Å |
| 793 | E | 88.8 | Confident | 87.7 | Confident | 148 Ų | 148 | 65.5 Ų | 65.5 | 69% | 0.692 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 176.9 | -65.4 | -176.2 | 177.4 | 0 | 0 | 111.6 | S789 T795 A796 G797 | S789-E793 PolarHBondContact O-N 2.84Å; E793-T795 PolarHBondContact O-N 3.25Å; E793-A796 WeakPolarHBondContact O-CB 3.26Å; E793-A796 PolarHBondContact O-N 3.16Å; E793-G797 PolarHBondContact O-N 3.19Å |
| 794 | F | 87.1 | Confident | 87.7 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.3 | -178.4 | -117 | 0 | 0 | 0 | 112.1 | L623 L765 A770 A773 E790 L791 G797 V798 | L623-F794 HydrophobicContact CD2-CD1 4.15Å; L623-F794 HydrophobicContact CD2-CE1 4.49Å; L765-F794 HydrophobicContact CD2-CE1 4.45Å; A770-F794 HydrophobicContact CB-CE1 4.21Å; A770-F794 HydrophobicContact CB-CE2 4.35Å; A770-F794 HydrophobicContact CB-CZ 3.54Å; A773-F794 HydrophobicContact CB-CD1 3.74Å; A773-F794 HydrophobicContact CB-CE1 3.59Å; E790-F794 VanDerWaalsContact O-CB 3.23Å; E790-F794 WeakPolarHBondContact O-CB 3.33Å; E790-F794 PolarHBondContact O-N 2.73Å; L791-F794 HydrophobicContact CD1-CD1 4.34Å; F794-G797 PolarHBondContact O-N 2.91Å; F794-V798 HydrophobicContact CZ-CG2 4.49Å; F794-V798 WeakPolarHBondContact O-CG2 3.48Å; F794-V798 PolarHBondContact O-N 3.12Å; F794-V798 VanDerWaalsContact O-N 3.16Å |
| 795 | T | 88.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.1 | -31.5 | 178.6 | 51 | 0 | 0 | 0 | 0 | 113.3 | A773 L777 L791 Y792 E793 V798 L799 | A773-T795 HydrophobicContact CB-CG2 3.69Å; L777-T795 HydrophobicContact CB-CG2 4.19Å; L777-T795 HydrophobicContact CD2-CG2 4.18Å; L791-T795 HydrophobicContact CD1-CG2 4.19Å; L791-T795 HydrophobicContact CG-CG2 4.4Å; L791-T795 WeakPolarHBondContact O-CB 2.95Å; L791-T795 VanDerWaalsContact O-CG2 3.26Å; L791-T795 WeakPolarHBondContact O-CG2 3.29Å; L791-T795 PolarHBondContact O-N 2.96Å; L791-T795 PolarHBondContact O-OG1 3.4Å; Y792-T795 WeakPolarHBondContact CA-OG1 3.19Å; Y792-T795 PolarHBondContact O-N 3.32Å; Y792-T795 PolarHBondContact O-OG1 3Å; E793-T795 PolarHBondContact O-N 3.25Å; T795-V798 PolarHBondContact O-N 2.97Å; T795-L799 WeakPolarHBondContact O-CG 3.49Å; T795-L799 PolarHBondContact O-N 3.43Å |
| 796 | A | 87.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y792 E793 V798 L799 E800 | Y792-A796 WeakPolarHBondContact O-CB 3.42Å; Y792-A796 PolarHBondContact O-N 2.92Å; E793-A796 WeakPolarHBondContact O-CB 3.26Å; E793-A796 PolarHBondContact O-N 3.16Å; A796-V798 VanDerWaalsContact C-N 3.33Å; A796-V798 PolarHBondContact O-N 3.32Å; A796-L799 PolarHBondContact O-N 2.95Å; A796-E800 PolarHBondContact O-N 3.43Å |
| 797 | G | 86.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E793 F794 E800 A801 | E793-G797 PolarHBondContact O-N 3.19Å; F794-G797 PolarHBondContact O-N 2.91Å; G797-E800 PolarHBondContact O-N 2.87Å; G797-A801 PolarHBondContact O-N 3.24Å |
| 798 | V | 85.5 | Confident | 87 | Confident | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.109 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | A770 V774 F794 T795 A796 K802 | A770-V798 HydrophobicContact CB-CG2 4.12Å; A770-V798 WeakPolarHBondContact O-CG1 3.28Å; V774-V798 HydrophobicContact CG2-CB 4.45Å; V774-V798 HydrophobicContact CG2-CG1 3.95Å; F794-V798 HydrophobicContact CZ-CG2 4.49Å; F794-V798 WeakPolarHBondContact O-CG2 3.48Å; F794-V798 PolarHBondContact O-N 3.12Å; F794-V798 VanDerWaalsContact O-N 3.16Å; T795-V798 PolarHBondContact O-N 2.97Å; A796-V798 VanDerWaalsContact C-N 3.33Å; A796-V798 PolarHBondContact O-N 3.32Å; V798-K802 HydrophobicContact CG1-CD 4.25Å; V798-K802 HydrophobicContact CG1-CG 4.49Å; V798-K802 WeakPolarHBondContact O-CB 3.42Å; V798-K802 VanDerWaalsContact O-CG 3.3Å; V798-K802 WeakPolarHBondContact O-CG 3.47Å; V798-K802 PolarHBondContact O-N 3.38Å |
| 799 | L | 86.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 78 Ų | 78 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.9 | -75.9 | 170.5 | 0 | 0 | 0 | 111.8 | V774 T795 A796 K802 E803 R825 | V774-L799 HydrophobicContact CG1-CD2 4Å; V774-L799 HydrophobicContact CG2-CD2 3.78Å; V774-L799 HydrophobicContact CG2-CG 3.83Å; T795-L799 WeakPolarHBondContact O-CG 3.49Å; T795-L799 PolarHBondContact O-N 3.43Å; A796-L799 PolarHBondContact O-N 2.95Å; L799-K802 PolarHBondContact O-N 3.35Å; L799-E803 WeakPolarHBondContact O-CB 3.37Å; L799-E803 PolarHBondContact O-N 2.83Å; L799-R825 HydrophobicContact CD1-CG 4.17Å; L799-R825 HydrophobicContact CD2-CB 4.1Å; L799-R825 HydrophobicContact CD2-CG 4.28Å |
| 800 | E | 86.2 | Confident | 86.7 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.7 | -51.7 | 174.6 | -172.3 | 171.6 | -156.7 | 0 | 0 | 111 | A796 G797 K802 E803 D804 | A796-E800 PolarHBondContact O-N 3.43Å; G797-E800 PolarHBondContact O-N 2.87Å; E800-K802 VanDerWaalsContact C-N 3.27Å; E800-K802 PolarHBondContact O-N 3.19Å; E800-E803 WeakPolarHBondContact O-CA 2.95Å; E800-E803 WeakPolarHBondContact O-CB 3.47Å; E800-E803 PolarHBondContact O-N 3.38Å; E800-D804 PolarHBondContact O-N 3.35Å |
| 801 | A | 84.6 | Confident | 86.7 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G797 K805 | G797-A801 PolarHBondContact O-N 3.24Å; A801-K805 WeakPolarHBondContact O-CG 3.36Å; A801-K805 PolarHBondContact O-N 3.5Å |
| 802 | K | 84.4 | Confident | 86.8 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 23% | 0.226 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 172.4 | -81.9 | -179.3 | -179.8 | -178.2 | 0 | 111.6 | S771 V798 L799 E800 K805 K806 | S771-K802 PolarHBondContact O-NZ 3.01Å; V798-K802 HydrophobicContact CG1-CD 4.25Å; V798-K802 HydrophobicContact CG1-CG 4.49Å; V798-K802 WeakPolarHBondContact O-CB 3.42Å; V798-K802 VanDerWaalsContact O-CG 3.3Å; V798-K802 WeakPolarHBondContact O-CG 3.47Å; V798-K802 PolarHBondContact O-N 3.38Å; L799-K802 PolarHBondContact O-N 3.35Å; E800-K802 VanDerWaalsContact C-N 3.27Å; E800-K802 PolarHBondContact O-N 3.19Å; K802-K805 PolarHBondContact O-N 2.85Å; K802-K806 WeakPolarHBondContact O-CG 3.31Å |
| 803 | E | 87.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 178.9 | -168.7 | 53.3 | -139.7 | 0 | 0 | 111.3 | L799 E800 K805 K806 R830 H831 H832 | L799-E803 WeakPolarHBondContact O-CB 3.37Å; L799-E803 PolarHBondContact O-N 2.83Å; E800-E803 WeakPolarHBondContact O-CA 2.95Å; E800-E803 WeakPolarHBondContact O-CB 3.47Å; E800-E803 PolarHBondContact O-N 3.38Å; E803-K805 VanDerWaalsContact C-N 3.28Å; E803-K805 PolarHBondContact O-N 3.39Å; E803-K806 WeakPolarHBondContact O-CA 3.4Å; E803-K806 WeakPolarHBondContact O-CB 3.27Å; E803-K806 PolarHBondContact O-N 2.94Å; E803-K806 IonicContact OE2-NZ 3.81Å; E803-K806 PolarHBondContact OE2-NZ 2.79Å; E803-R830 WeakPolarHBondContact OE1-CA 3.36Å; E803-R830 WeakPolarHBondContact OE1-CB 3.37Å; E803-H831 PolarHBondContact OE1-N 2.86Å; E803-H831 IonicContact OE1-ND1 3.81Å; E803-H831 IonicContact OE2-CE1 2.78Å; E803-H831 IonicContact OE2-CG 3.71Å; E803-H831 IonicContact OE2-ND1 2.67Å; E803-H831 PolarHBondContact OE2-ND1 2.85Å; E803-H832 PolarHBondContact OE1-N 3.42Å |
| 804 | D | 85.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 174.2 | -66.4 | -23.6 | 0 | 0 | 0 | 112.3 | E800 K806 A807 | E800-D804 PolarHBondContact O-N 3.35Å; D804-K806 PolarHBondContact O-N 3.3Å; D804-K806 VanDerWaalsContact O-N 3.16Å; D804-A807 VanDerWaalsContact O-CB 3.28Å; D804-A807 WeakPolarHBondContact O-CB 3.31Å; D804-A807 PolarHBondContact O-N 3.36Å; D804-A807 VanDerWaalsContact O-N 3.08Å |
| 805 | K | 86.1 | Confident | 87 | Confident | 183 Ų | 183 | 65.8 Ų | 65.8 | 80% | 0.796 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.8 | 174.3 | -71.1 | 175 | -176.5 | -178.1 | 0 | 113.3 | A801 K802 E803 | A801-K805 WeakPolarHBondContact O-CG 3.36Å; A801-K805 PolarHBondContact O-N 3.5Å; K802-K805 PolarHBondContact O-N 2.85Å; E803-K805 VanDerWaalsContact C-N 3.28Å; E803-K805 PolarHBondContact O-N 3.39Å |
| 806 | K | 87.1 | Confident | 87.1 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.4 | 176.4 | -57 | 175.9 | -155.5 | 166.6 | 0 | 112.8 | K802 E803 D804 R808 R809 C827 D829 R830 | K802-K806 WeakPolarHBondContact O-CG 3.31Å; E803-K806 WeakPolarHBondContact O-CA 3.4Å; E803-K806 WeakPolarHBondContact O-CB 3.27Å; E803-K806 PolarHBondContact O-N 2.94Å; E803-K806 IonicContact OE2-NZ 3.81Å; E803-K806 PolarHBondContact OE2-NZ 2.79Å; D804-K806 PolarHBondContact O-N 3.3Å; D804-K806 VanDerWaalsContact O-N 3.16Å; K806-R808 PolarHBondContact O-N 3.28Å; K806-R809 HydrophobicContact CB-CB 4.26Å; K806-R809 HydrophobicContact CB-CG 4.12Å; K806-R809 VanDerWaalsContact O-CB 3.3Å; K806-R809 WeakPolarHBondContact O-CB 3.44Å; K806-R809 PolarHBondContact O-N 3.42Å; K806-C827 WeakPolarHBondContact CE-O 3.37Å; K806-C827 PolarHBondContact NZ-O 2.96Å; K806-D829 VanDerWaalsContact CD-O 3.3Å; K806-D829 WeakPolarHBondContact CD-O 3.15Å; K806-R830 HydrophobicContact CB-CB 3.86Å |
| 807 | A | 82.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D804 N834 | D804-A807 VanDerWaalsContact O-CB 3.28Å; D804-A807 WeakPolarHBondContact O-CB 3.31Å; D804-A807 PolarHBondContact O-N 3.36Å; D804-A807 VanDerWaalsContact O-N 3.08Å; A807-N834 PolarHBondContact O-ND2 3.45Å |
| 808 | R | 82.4 | Confident | 87.4 | Confident | 222 Ų | 222 | 63 Ų | 63 | 84% | 0.838 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.4 | 177.8 | -63.8 | -173.6 | 179.6 | -176.6 | 0.9 | 115.2 | K806 | K806-R808 PolarHBondContact O-N 3.28Š|
| 809 | R | 86.4 | Confident | 87.5 | Confident | 147 Ų | 147 | 62.4 Ų | 62.4 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -74.5 | 156.9 | 176.8 | -66.2 | -72.8 | -178.4 | 162 | -0.5 | 110.1 | K806 R830 | K806-R809 HydrophobicContact CB-CB 4.26Å; K806-R809 HydrophobicContact CB-CG 4.12Å; K806-R809 VanDerWaalsContact O-CB 3.3Å; K806-R809 WeakPolarHBondContact O-CB 3.44Å; K806-R809 PolarHBondContact O-N 3.42Å; R809-R830 WeakPolarHBondContact O-CD 3.3Å; R809-R830 PolarHBondContact O-NE 3.46Å |
| 810 | P | 86.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 152.1 | 171.7 | 28 | -34.3 | 0 | 0 | 0 | 110.7 | D829 R830 | P810-D829 WeakPolarHBondContact O-CB 3.38Å; P810-R830 PolarHBondContact O-N 3.41Å |
| 811 | L | 89.9 | Confident | 87.7 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 135.2 | 172.4 | -173.6 | 67.4 | 0 | 0 | 0 | 109.5 | L815 K816 R830 | L811-L815 HydrophobicContact CD1-CD2 3.99Å; L811-K816 HydrophobicContact CB-CD 4.16Å; L811-K816 HydrophobicContact CB-CG 4.23Å; L811-K816 HydrophobicContact CD2-CD 4.35Å; L811-K816 HydrophobicContact CD2-CG 3.69Å; L811-K816 HydrophobicContact CG-CD 4.39Å; L811-K816 HydrophobicContact CG-CG 3.91Å; L811-R830 HydrophobicContact CD1-CG 4.26Å |
| 812 | C | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -46.4 | 120.8 | -177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | Y814 L815 K816 D829 R830 | C812-Y814 VanDerWaalsContact C-N 3.26Å; C812-Y814 PolarHBondContact O-N 3.45Å; C812-L815 HydrophobicContact CB-CB 3.72Å; C812-L815 WeakPolarHBondContact O-CB 3.49Å; C812-L815 PolarHBondContact O-N 3.35Å; C812-L815 VanDerWaalsContact O-N 3.12Å; C812-K816 WeakPolarHBondContact O-CG 3.17Å; C812-K816 PolarHBondContact O-N 3.15Å; C812-D829 HydrophobicContact CB-CB 4.04Å; C812-R830 WeakPolarHBondContact CB-O 3.37Å; C812-R830 PolarHBondContact N-O 3.3Å |
| 813 | P | 90.3 | Very high | 87.6 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -35.4 | -178.4 | -27.4 | 34.6 | 0 | 0 | 0 | 113.7 | K816 A817 D829 | P813-K816 PolarHBondContact O-N 3.29Å; P813-A817 VanDerWaalsContact O-CB 3.27Å; P813-A817 WeakPolarHBondContact O-CB 3.46Å; P813-A817 PolarHBondContact O-N 2.93Å; P813-D829 WeakPolarHBondContact CD-OD2 3.23Å |
| 814 | Y | 90.6 | Very high | 87.4 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71 | -40.5 | 177.7 | -57.7 | -67 | 0 | 0 | 0 | 112 | C812 K816 A817 F818 F820 I983 | C812-Y814 VanDerWaalsContact C-N 3.26Å; C812-Y814 PolarHBondContact O-N 3.45Å; Y814-K816 VanDerWaalsContact C-N 3.28Å; Y814-K816 PolarHBondContact O-N 3.35Å; Y814-A817 PolarHBondContact O-N 3.3Å; Y814-F818 HydrophobicContact CD1-CD2 4.34Å; Y814-F818 HydrophobicContact CD1-CE2 4.04Å; Y814-F818 PolarHBondContact O-N 3.41Å; Y814-F820 CarbonylContact C-O 3.18Å; Y814-I983 HydrophobicContact CD1-CB 4.33Å; Y814-I983 HydrophobicContact CE1-CB 3.85Å; Y814-I983 HydrophobicContact CE1-CD1 4.46Å; Y814-I983 HydrophobicContact CE1-CG2 4.49Å |
| 815 | L | 91.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 173.5 | -170.1 | 63.1 | 0 | 0 | 0 | 110.5 | L811 C812 G819 F820 H831 L1060 | L811-L815 HydrophobicContact CD1-CD2 3.99Å; C812-L815 HydrophobicContact CB-CB 3.72Å; C812-L815 WeakPolarHBondContact O-CB 3.49Å; C812-L815 PolarHBondContact O-N 3.35Å; C812-L815 VanDerWaalsContact O-N 3.12Å; L815-G819 WeakPolarHBondContact CD1-O 3.49Å; L815-G819 WeakPolarHBondContact O-CA 3.49Å; L815-G819 PolarHBondContact O-N 3.35Å; L815-F820 PolarHBondContact N-O 2.82Å; L815-H831 HydrophobicContact CD2-CB 4.11Å; L815-L1060 HydrophobicContact CD1-CD1 3.92Å; L815-L1060 HydrophobicContact CD2-CD1 3.72Å; L815-L1060 HydrophobicContact CG-CD1 3.88Å |
| 816 | K | 90.6 | Very high | 87 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175 | -67.5 | 175.8 | 72.6 | -169.2 | 0 | 113 | L811 C812 P813 Y814 E970 I972 T1013 W1015 H1053 | L811-K816 HydrophobicContact CB-CD 4.16Å; L811-K816 HydrophobicContact CB-CG 4.23Å; L811-K816 HydrophobicContact CD2-CD 4.35Å; L811-K816 HydrophobicContact CD2-CG 3.69Å; L811-K816 HydrophobicContact CG-CD 4.39Å; L811-K816 HydrophobicContact CG-CG 3.91Å; C812-K816 WeakPolarHBondContact O-CG 3.17Å; C812-K816 PolarHBondContact O-N 3.15Å; P813-K816 PolarHBondContact O-N 3.29Å; Y814-K816 VanDerWaalsContact C-N 3.28Å; Y814-K816 PolarHBondContact O-N 3.35Å; K816-E970 IonicContact NZ-OE1 3.36Å; K816-E970 PolarHBondContact NZ-OE1 3.24Å; K816-E970 IonicContact NZ-OE2 2.71Å; K816-E970 PolarHBondContact NZ-OE2 2.87Å; K816-I972 HydrophobicContact CB-CD1 3.76Å; K816-T1013 WeakPolarHBondContact CE-OG1 3.31Å; K816-T1013 PolarHBondContact NZ-OG1 2.84Å; K816-T1013 VanDerWaalsContact NZ-OG1 3.12Å; K816-W1015 HydrophobicContact CB-CZ2 3.98Å; K816-W1015 HydrophobicContact CG-CZ2 4.04Å; K816-W1015 PolarHBondContact O-NE1 2.97Å; K816-H1053 PolarHBondContact O-NE2 3.48Å; K816-H1053 VanDerWaalsContact O-NE2 3.13Å |
| 817 | A | 89.9 | Confident | 87 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.8 | -30.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P813 Y814 H1053 | P813-A817 VanDerWaalsContact O-CB 3.27Å; P813-A817 WeakPolarHBondContact O-CB 3.46Å; P813-A817 PolarHBondContact O-N 2.93Å; Y814-A817 PolarHBondContact O-N 3.3Å; A817-H1053 VanDerWaalsContact C-CE1 3.5Å; A817-H1053 PolarHBondContact O-CE1 2.95Å; A817-H1053 PolarHBondContact O-NE2 3.41Å |
| 818 | F | 89.8 | Confident | 87.1 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -131.4 | -7.2 | -169.2 | -49.5 | -50.5 | 0 | 0 | 0 | 114.5 | Y814 F820 K977 P978 I983 N1050 | Y814-F818 HydrophobicContact CD1-CD2 4.34Å; Y814-F818 HydrophobicContact CD1-CE2 4.04Å; Y814-F818 PolarHBondContact O-N 3.41Å; F818-F820 HydrophobicContact CB-CD1 3.94Å; F818-F820 HydrophobicContact CB-CE1 3.83Å; F818-F820 PolarHBondContact O-N 3.25Å; F818-K977 HydrophobicContact CD1-CB 3.6Å; F818-K977 HydrophobicContact CE1-CB 3.98Å; F818-K977 HydrophobicContact CG-CB 4.31Å; F818-P978 HydrophobicContact CE1-CG 4.37Å; F818-P978 VanDerWaalsContact CZ-CD 3.47Å; F818-P978 HydrophobicContact CZ-CG 4.01Å; F818-I983 WeakPolarHBondContact CE2-O 3.34Å; F818-N1050 PolarHBondContact O-ND2 3.13Å |
| 819 | G | 88.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 78.8 | 1.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L815 H1053 Q1056 | L815-G819 WeakPolarHBondContact CD1-O 3.49Å; L815-G819 WeakPolarHBondContact O-CA 3.49Å; L815-G819 PolarHBondContact O-N 3.35Å; G819-H1053 PolarHBondContact N-CD2 2.82Å; G819-H1053 VanDerWaalsContact N-CD2 3.28Å; G819-Q1056 WeakPolarHBondContact O-CB 3.4Å |
| 820 | F | 88.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 39% | 0.386 | 21% | 0.209 | S | C | . | . | trans | -145.9 | 158.4 | 175.2 | 77.4 | -84.5 | 0 | 0 | 0 | 112.2 | Y814 L815 F818 K822 K977 | Y814-F820 CarbonylContact C-O 3.18Å; L815-F820 PolarHBondContact N-O 2.82Å; F818-F820 HydrophobicContact CB-CD1 3.94Å; F818-F820 HydrophobicContact CB-CE1 3.83Å; F818-F820 PolarHBondContact O-N 3.25Å; F820-K822 HydrophobicContact CE2-CG 4.33Å; F820-K977 HydrophobicContact CE1-CD 4.38Å | ||
| 821 | C | 88.8 | Confident | 88 | Confident | 17 Ų | 17 | 38 Ų | 38 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | trans | -118.2 | 133 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | D823 K824 | C821-D823 VanDerWaalsContact C-N 3.35Å; C821-D823 PolarHBondContact O-N 2.85Å; C821-K824 HydrophobicContact CB-CG 4.2Å | ||
| 822 | K | 82.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -55.7 | -46.6 | -176 | -86.2 | -166 | 170.2 | 169.2 | 0 | 112.5 | E551 F820 S981 I983 | E551-K822 IonicContact OE1-NZ 2.77Å; E551-K822 PolarHBondContact OE1-NZ 3.07Å; F820-K822 HydrophobicContact CE2-CG 4.33Å; K822-S981 WeakPolarHBondContact CE-O 3.18Å; K822-S981 PolarHBondContact NZ-O 3.23Å; K822-I983 HydrophobicContact CD-CG2 3.43Å; K822-I983 VanDerWaalsContact CD-CG2 3.43Å; K822-I983 HydrophobicContact CG-CG2 3.86Å |
| 823 | D | 83.4 | Confident | 87.7 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | trans | -142 | 98 | 177.5 | -170.6 | -7.9 | 0 | 0 | 0 | 110.7 | R778 C821 R825 I826 C827 | R778-D823 IonicContact CZ-OD2 2.96Å; R778-D823 IonicContact NE-OD2 3.5Å; R778-D823 IonicContact NH2-OD2 2.82Å; R778-D823 PolarHBondContact NH2-OD2 3.47Å; C821-D823 VanDerWaalsContact C-N 3.35Å; C821-D823 PolarHBondContact O-N 2.85Å; D823-R825 PolarHBondContact O-N 3.21Å; D823-R825 WeakPolarHBondContact OD1-CA 3.39Å; D823-R825 WeakPolarHBondContact OD1-CB 3.29Å; D823-R825 VanDerWaalsContact OD1-CG 3.29Å; D823-R825 WeakPolarHBondContact OD1-CG 3.43Å; D823-R825 PolarHBondContact OD1-N 3.43Å; D823-I826 HydrophobicContact CB-CD1 3.99Å; D823-I826 HydrophobicContact CB-CG1 3.81Å; D823-I826 PolarHBondContact O-N 2.95Å; D823-C827 WeakPolarHBondContact O-CB 3.3Å; D823-C827 PolarHBondContact O-N 3.33Å | ||
| 824 | K | 83.9 | Confident | 87.4 | Confident | 117 Ų | 117 | 40.7 Ų | 40.7 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.9 | 176.6 | -62.4 | -175.2 | -179 | -176.9 | 0 | 112.4 | C821 I826 | C821-K824 HydrophobicContact CB-CG 4.2Å; K824-I826 VanDerWaalsContact C-N 3.25Å; K824-I826 PolarHBondContact O-N 2.89Å |
| 825 | R | 82.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -26.8 | -175 | -52.3 | 175.8 | -172.9 | -177.1 | 2.6 | 112 | V774 E781 L799 D823 | V774-R825 HydrophobicContact CG1-CB 3.87Å; V774-R825 HydrophobicContact CG1-CG 4.43Å; E781-R825 IonicContact OE1-NH1 2.8Å; E781-R825 PolarHBondContact OE1-NH1 2.93Å; E781-R825 IonicContact OE1-NH2 3.1Å; E781-R825 IonicContact OE2-NH1 3.58Å; E781-R825 PolarHBondContact OE2-NH1 3.38Å; L799-R825 HydrophobicContact CD1-CG 4.17Å; L799-R825 HydrophobicContact CD2-CB 4.1Å; L799-R825 HydrophobicContact CD2-CG 4.28Å; D823-R825 PolarHBondContact O-N 3.21Å; D823-R825 WeakPolarHBondContact OD1-CA 3.39Å; D823-R825 WeakPolarHBondContact OD1-CB 3.29Å; D823-R825 VanDerWaalsContact OD1-CG 3.29Å; D823-R825 WeakPolarHBondContact OD1-CG 3.43Å; D823-R825 PolarHBondContact OD1-N 3.43Å |
| 826 | I | 80.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 48 Ų | 48 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -2.7 | -175.8 | 67.5 | 176.9 | 0 | 0 | 0 | 113.4 | N348 P349 D823 K824 | N348-I826 HydrophobicContact CB-CG2 3.85Å; P349-I826 HydrophobicContact CG-CD1 4.06Å; D823-I826 HydrophobicContact CB-CD1 3.99Å; D823-I826 HydrophobicContact CB-CG1 3.81Å; D823-I826 PolarHBondContact O-N 2.95Å; K824-I826 VanDerWaalsContact C-N 3.25Å; K824-I826 PolarHBondContact O-N 2.89Å |
| 827 | C | 85.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | trans | -75.3 | 128.2 | -176.7 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | K806 D823 D829 H831 | K806-C827 WeakPolarHBondContact CE-O 3.37Å; K806-C827 PolarHBondContact NZ-O 2.96Å; D823-C827 WeakPolarHBondContact O-CB 3.3Å; D823-C827 PolarHBondContact O-N 3.33Å; C827-D829 VanDerWaalsContact C-N 3.29Å; C827-D829 PolarHBondContact O-N 3Å; C827-H831 VanDerWaalsContact CB-CE1 3.47Å; C827-H831 WeakPolarHBondContact CB-CE1 3.48Å; C827-H831 WeakPolarHBondContact CB-NE2 3.39Å; C827-H831 PolarHBondContact SG-NE2 3.21Å; C827-H831 VanDerWaalsContact SG-NE2 3.42Å | ||
| 828 | P | 86.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -76.3 | -18.4 | -176.1 | 31 | -36.8 | 0 | 0 | 0 | 113.3 | ||
| 829 | D | 90.3 | Very high | 84.3 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -89.6 | 161.1 | -179.2 | -64.9 | -38.9 | 0 | 0 | 0 | 111.1 | K806 P810 C812 P813 C827 H831 | K806-D829 VanDerWaalsContact CD-O 3.3Å; K806-D829 WeakPolarHBondContact CD-O 3.15Å; P810-D829 WeakPolarHBondContact O-CB 3.38Å; C812-D829 HydrophobicContact CB-CB 4.04Å; P813-D829 WeakPolarHBondContact CD-OD2 3.23Å; C827-D829 VanDerWaalsContact C-N 3.29Å; C827-D829 PolarHBondContact O-N 3Å; D829-H831 PolarHBondContact O-CE1 3.01Å; D829-H831 PolarHBondContact O-ND1 2.97Å |
| 830 | R | 91.6 | Very high | 83.4 | Confident | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 154.1 | 178.3 | 73.3 | -178.3 | 167.2 | 86.4 | 1.4 | 111.8 | E803 K806 R809 P810 L811 C812 H832 D838 | E803-R830 WeakPolarHBondContact OE1-CA 3.36Å; E803-R830 WeakPolarHBondContact OE1-CB 3.37Å; K806-R830 HydrophobicContact CB-CB 3.86Å; R809-R830 WeakPolarHBondContact O-CD 3.3Å; R809-R830 PolarHBondContact O-NE 3.46Å; P810-R830 PolarHBondContact O-N 3.41Å; L811-R830 HydrophobicContact CD1-CG 4.26Å; C812-R830 WeakPolarHBondContact CB-O 3.37Å; C812-R830 PolarHBondContact N-O 3.3Å; R830-H832 WeakPolarHBondContact CD-O 3.47Å; R830-H832 PolarHBondContact NH1-O 3.03Å; R830-D838 IonicContact CZ-OD1 3.33Å; R830-D838 IonicContact CZ-OD2 3.18Å; R830-D838 IonicContact NH1-OD1 3.7Å; R830-D838 IonicContact NH1-OD2 2.67Å; R830-D838 PolarHBondContact NH1-OD2 3.17Å; R830-D838 IonicContact NH2-OD1 2.96Å; R830-D838 PolarHBondContact NH2-OD1 2.97Å; R830-D838 IonicContact NH2-OD2 3.43Å; R830-D838 PolarHBondContact NH2-OD2 3.15Å |
| 831 | H | 91.4 | Very high | 82.4 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.023 | 29% | 0.288 | C | S | . | . | trans | -119 | -12.2 | 178.1 | -53.6 | 89.3 | 0 | 0 | 0 | 112.4 | E803 L815 C827 D829 | E803-H831 PolarHBondContact OE1-N 2.86Å; E803-H831 IonicContact OE1-ND1 3.81Å; E803-H831 IonicContact OE2-CE1 2.78Å; E803-H831 IonicContact OE2-CG 3.71Å; E803-H831 IonicContact OE2-ND1 2.67Å; E803-H831 PolarHBondContact OE2-ND1 2.85Å; L815-H831 HydrophobicContact CD2-CB 4.11Å; C827-H831 VanDerWaalsContact CB-CE1 3.47Å; C827-H831 WeakPolarHBondContact CB-CE1 3.48Å; C827-H831 WeakPolarHBondContact CB-NE2 3.39Å; C827-H831 PolarHBondContact SG-NE2 3.21Å; C827-H831 VanDerWaalsContact SG-NE2 3.42Å; D829-H831 PolarHBondContact O-CE1 3.01Å; D829-H831 PolarHBondContact O-ND1 2.97Å | ||
| 832 | H | 88.4 | Confident | 81 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -96.5 | 139.9 | 171.9 | -62.9 | 162 | 0 | 0 | 0 | 110.7 | E803 R830 | E803-H832 PolarHBondContact OE1-N 3.42Å; R830-H832 WeakPolarHBondContact CD-O 3.47Å; R830-H832 PolarHBondContact NH1-O 3.03Å |
| 833 | I | 87.2 | Confident | 79.6 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | trans | -71.3 | 130.9 | 172 | -66.1 | 173.9 | 0 | 0 | 0 | 107.8 | P835 D838 L1010 L1060 A1064 L1066 | I833-P835 WeakPolarHBondContact O-CD 3.1Å; I833-D838 WeakPolarHBondContact CA-OD2 3.39Å; I833-D838 HydrophobicContact CG2-CB 3.83Å; I833-D838 WeakPolarHBondContact CG2-OD2 3.43Å; I833-L1010 HydrophobicContact CD1-CD1 3.67Å; I833-L1010 HydrophobicContact CD1-CD2 4.3Å; I833-L1010 HydrophobicContact CG1-CD1 4.24Å; I833-L1010 HydrophobicContact CG2-CD2 4.37Å; I833-L1060 HydrophobicContact CD1-CB 3.87Å; I833-L1060 HydrophobicContact CG1-CB 4.37Å; I833-A1064 HydrophobicContact CB-CB 3.78Å; I833-A1064 HydrophobicContact CG2-CB 3.89Å; I833-L1066 HydrophobicContact CG2-CD1 3.93Å | ||
| 834 | N | 84.3 | Confident | 78.2 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | trans | -101.9 | 109 | 176.6 | 179.5 | -13.3 | 0 | 0 | 0 | 108.2 | A807 E836 M837 D838 | A807-N834 PolarHBondContact O-ND2 3.45Å; N834-E836 PolarHBondContact O-N 2.69Å; N834-E836 VanDerWaalsContact O-N 3.08Å; N834-E836 PolarHBondContact OD1-N 3.25Å; N834-M837 HydrophobicContact CB-CB 4.32Å; N834-M837 PolarHBondContact O-N 3.36Å; N834-D838 PolarHBondContact N-OD2 3.37Å; N834-D838 VanDerWaalsContact O-CB 3.31Å; N834-D838 WeakPolarHBondContact O-CB 3.47Å; N834-D838 PolarHBondContact O-N 3.4Å | ||
| 835 | P | 79.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.3 | -177.9 | -26.2 | 35.6 | 0 | 0 | 0 | 114.5 | I833 I839 L1066 | I833-P835 WeakPolarHBondContact O-CD 3.1Å; P835-I839 VanDerWaalsContact O-CD1 3.29Å; P835-I839 WeakPolarHBondContact O-CD1 3.35Å; P835-I839 WeakPolarHBondContact O-CG1 3.38Å; P835-L1066 HydrophobicContact CB-CD2 4.08Å |
| 836 | E | 76.5 | Confident | 75 | Confident | 174 Ų | 174 | 68.6 Ų | 68.6 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -32.7 | 178.2 | -62.1 | -177.1 | 168.5 | 0 | 0 | 112.5 | N834 | N834-E836 PolarHBondContact O-N 2.69Å; N834-E836 VanDerWaalsContact O-N 3.08Å; N834-E836 PolarHBondContact OD1-N 3.25Å |
| 837 | M | 73.8 | Confident | 73.9 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -27.6 | -175.2 | -67.9 | -174.7 | 60.3 | 0 | 0 | 113.5 | N834 | N834-M837 HydrophobicContact CB-CB 4.32Å; N834-M837 PolarHBondContact O-N 3.36Å |
| 838 | D | 80.2 | Confident | 72.7 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | trans | -100.6 | 6.5 | -169.4 | -66.6 | -38.2 | 0 | 0 | 0 | 114.1 | R830 I833 N834 L1010 G1011 | R830-D838 IonicContact CZ-OD1 3.33Å; R830-D838 IonicContact CZ-OD2 3.18Å; R830-D838 IonicContact NH1-OD1 3.7Å; R830-D838 IonicContact NH1-OD2 2.67Å; R830-D838 PolarHBondContact NH1-OD2 3.17Å; R830-D838 IonicContact NH2-OD1 2.96Å; R830-D838 PolarHBondContact NH2-OD1 2.97Å; R830-D838 IonicContact NH2-OD2 3.43Å; R830-D838 PolarHBondContact NH2-OD2 3.15Å; I833-D838 WeakPolarHBondContact CA-OD2 3.39Å; I833-D838 HydrophobicContact CG2-CB 3.83Å; I833-D838 WeakPolarHBondContact CG2-OD2 3.43Å; N834-D838 PolarHBondContact N-OD2 3.37Å; N834-D838 VanDerWaalsContact O-CB 3.31Å; N834-D838 WeakPolarHBondContact O-CB 3.47Å; N834-D838 PolarHBondContact O-N 3.4Å; D838-L1010 HydrophobicContact CB-CD2 4.39Å; D838-G1011 PolarHBondContact O-N 3.11Å | ||
| 839 | I | 75.9 | Confident | 71.7 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -60.1 | 129.7 | 170.5 | -49.2 | -169.6 | 0 | 0 | 0 | 108.4 | P835 R841 | P835-I839 VanDerWaalsContact O-CD1 3.29Å; P835-I839 WeakPolarHBondContact O-CD1 3.35Å; P835-I839 WeakPolarHBondContact O-CG1 3.38Å; I839-R841 PolarHBondContact O-N 2.78Å |
| 840 | P | 70.1 | Confident | 70.5 | Confident | 26 Ų | 26 | 70 Ų | 70 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 126.4 | 175.3 | -28.9 | 35.7 | 0 | 0 | 0 | 111.6 | T847 L848 V850 A1009 G1011 | P840-T847 HydrophobicContact CB-CG2 4.3Å; P840-L848 HydrophobicContact CB-CB 4.47Å; P840-V850 HydrophobicContact CG-CG2 4.29Å; P840-A1009 HydrophobicContact CG-CB 4.37Å; P840-G1011 WeakPolarHBondContact CA-O 3.37Å |
| 841 | R | 67.6 | Low | 69.5 | Low | 139 Ų | 139 | 74.3 Ų | 74.3 | 53% | 0.525 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 151.7 | 179.8 | -73.5 | -175.2 | 171.7 | -172.4 | -6.2 | 111.2 | I839 L848 G1011 | I839-R841 PolarHBondContact O-N 2.78Å; R841-L848 HydrophobicContact CB-CD1 4.08Å; R841-L848 WeakPolarHBondContact O-CB 3.28Å; R841-L848 VanDerWaalsContact O-CG 3.29Å; R841-L848 WeakPolarHBondContact O-CG 3.36Å; R841-L848 PolarHBondContact O-N 2.89Å; R841-G1011 PolarHBondContact N-O 2.99Å |
| 842 | K | 59.3 | Low | 68.9 | Low | 152 Ų | 152 | 74.8 Ų | 74.8 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.7 | 168 | -64.4 | -175 | -179.8 | -179 | 0 | 109.6 | ||
| 843 | L | 53.2 | Low | 68.7 | Low | 36 Ų | 36 | 75.7 Ų | 75.7 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 88.1 | 174.2 | -154.3 | 88.2 | 0 | 0 | 0 | 106.2 | K846 L848 V969 | L843-K846 CarbonylContact C-O 3.1Å; L843-K846 PolarHBondContact N-O 3.07Å; L843-K846 VanDerWaalsContact O-O 3.07Å; L843-L848 HydrophobicContact CB-CD2 4.26Å; L843-L848 HydrophobicContact CB-CG 4.48Å; L843-L848 HydrophobicContact CD1-CD2 4.42Å; L843-V969 HydrophobicContact CD1-CG2 4.34Å |
| 844 | S | 54.1 | Low | 68.7 | Low | 73 Ų | 73 | 75.7 Ų | 75.7 | 51% | 0.51 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | -157.1 | -164.6 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | K846 | S844-K846 PolarHBondContact O-N 3.28Š|
| 845 | N | 44.5 | Very low | 68.9 | Low | 173 Ų | 173 | 77.7 Ų | 77.7 | 93% | 0.925 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 2.1 | 177.4 | -73.7 | -13.8 | 0 | 0 | 0 | 114.1 | ||
| 846 | K | 54.7 | Low | 69.4 | Low | 113 Ų | 113 | 74.9 Ų | 74.9 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.2 | 175.7 | -65.5 | -177.8 | -175.1 | 174.1 | 0 | 111.1 | L843 S844 D873 | L843-K846 CarbonylContact C-O 3.1Å; L843-K846 PolarHBondContact N-O 3.07Å; L843-K846 VanDerWaalsContact O-O 3.07Å; S844-K846 PolarHBondContact O-N 3.28Å; K846-D873 IonicContact NZ-OD2 2.68Å; K846-D873 PolarHBondContact NZ-OD2 2.86Å |
| 847 | T | 58.2 | Low | 70.1 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 145.6 | 171.7 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | P840 | P840-T847 HydrophobicContact CB-CG2 4.3Å |
| 848 | L | 59.8 | Low | 71 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | trans | -49.6 | 136.9 | 169.4 | -81.1 | 168.8 | 0 | 0 | 0 | 109.8 | P840 R841 L843 V850 I871 V969 G1011 | P840-L848 HydrophobicContact CB-CB 4.47Å; R841-L848 HydrophobicContact CB-CD1 4.08Å; R841-L848 WeakPolarHBondContact O-CB 3.28Å; R841-L848 VanDerWaalsContact O-CG 3.29Å; R841-L848 WeakPolarHBondContact O-CG 3.36Å; R841-L848 PolarHBondContact O-N 2.89Å; L843-L848 HydrophobicContact CB-CD2 4.26Å; L843-L848 HydrophobicContact CB-CG 4.48Å; L843-L848 HydrophobicContact CD1-CD2 4.42Å; L848-V850 PolarHBondContact O-N 3.07Å; L848-I871 HydrophobicContact CD2-CD1 3.74Å; L848-V969 HydrophobicContact CD2-CG2 4.1Å; L848-G1011 WeakPolarHBondContact CD1-O 3.48Å | ||
| 849 | P | 65.6 | Low | 71.4 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | trans | -63.5 | 113.9 | -178.7 | 23.6 | -29.3 | 0 | 0 | 0 | 108.7 | F851 I854 | P849-F851 PolarHBondContact O-N 2.91Å; P849-I854 HydrophobicContact CB-CG2 4.23Å; P849-I854 HydrophobicContact CG-CG2 3.5Å | ||
| 850 | V | 64.6 | Low | 72.1 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 24% | 0.242 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -69.8 | -27 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | P840 L848 F1069 | P840-V850 HydrophobicContact CG-CG2 4.29Å; L848-V850 PolarHBondContact O-N 3.07Å; V850-F1069 HydrophobicContact CG1-CD1 4.49Å; V850-F1069 HydrophobicContact CG1-CE1 4.11Å |
| 851 | F | 71.3 | Confident | 73.2 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -154 | 156.3 | 177.4 | -173.3 | -100.9 | 0 | 0 | 0 | 109.9 | P849 V1006 | P849-F851 PolarHBondContact O-N 2.91Å; F851-V1006 VanDerWaalsContact CD2-O 3.26Å; F851-V1006 WeakPolarHBondContact CD2-O 3.22Å |
| 852 | G | 78 | Confident | 74.3 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.6 | -170.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1005 V1006 | G852-K1005 CarbonylContact O-C 3.57Å; G852-K1005 WeakPolarHBondContact O-CA 3.27Å; G852-V1006 PolarHBondContact N-O 3.18Å; G852-V1006 PolarHBondContact O-N 2.53Å |
| 853 | H | 83.3 | Confident | 75.9 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.7 | -172.7 | -66.4 | 85.8 | 0 | 0 | 0 | 112.1 | A1004 | H853-A1004 WeakPolarHBondContact CA-O 3.35Å |
| 854 | I | 88.3 | Confident | 77.8 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.5 | 179.8 | 60.2 | 170.8 | 0 | 0 | 0 | 110.9 | P849 V856 I871 F971 A1004 V1006 L1014 | P849-I854 HydrophobicContact CB-CG2 4.23Å; P849-I854 HydrophobicContact CG-CG2 3.5Å; I854-V856 HydrophobicContact CB-CG1 4.42Å; I854-V856 HydrophobicContact CD1-CG1 3.39Å; I854-V856 HydrophobicContact CG1-CG1 3.73Å; I854-I871 HydrophobicContact CB-CG2 4.27Å; I854-I871 HydrophobicContact CD1-CD1 4.38Å; I854-I871 HydrophobicContact CD1-CG1 4.42Å; I854-I871 HydrophobicContact CG2-CG2 4.45Å; I854-F971 HydrophobicContact CD1-CE1 3.82Å; I854-A1004 HydrophobicContact CG1-CB 4.1Å; I854-A1004 WeakPolarHBondContact CG1-O 3.41Å; I854-A1004 PolarHBondContact N-O 2.89Å; I854-A1004 PolarHBondContact O-N 2.69Å; I854-V1006 HydrophobicContact CD1-CG2 3.53Å; I854-V1006 HydrophobicContact CG1-CG2 3.87Å; I854-V1006 HydrophobicContact CG2-CG2 4.12Å; I854-L1014 HydrophobicContact CD1-CD1 4Å |
| 855 | R | 88.3 | Confident | 79.7 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130 | 167.9 | -64.3 | -174 | -67.5 | 171.5 | 2.2 | 108.8 | I871 I872 D873 M1001 H1002 D1003 | R855-I871 WeakPolarHBondContact O-CA 3.3Å; R855-I872 HydrophobicContact CB-CB 4.42Å; R855-I872 PolarHBondContact O-N 2.9Å; R855-D873 PolarHBondContact NH2-O 3.01Å; R855-M1001 HydrophobicContact CG-CE 4.34Å; R855-H1002 CarbonylContact C-O 3.56Å; R855-H1002 WeakPolarHBondContact CA-O 3.44Å; R855-D1003 WeakPolarHBondContact CG-OD1 3.17Å |
| 856 | V | 90.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146 | -173.2 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | I854 R870 I871 F971 H1002 A1004 M1019 | I854-V856 HydrophobicContact CB-CG1 4.42Å; I854-V856 HydrophobicContact CD1-CG1 3.39Å; I854-V856 HydrophobicContact CG1-CG1 3.73Å; V856-R870 WeakPolarHBondContact CA-O 3.43Å; V856-I871 HydrophobicContact CG1-CG1 4.46Å; V856-F971 HydrophobicContact CB-CE1 4.3Å; V856-F971 HydrophobicContact CB-CE2 4.44Å; V856-F971 HydrophobicContact CB-CZ 4.04Å; V856-F971 HydrophobicContact CG1-CD1 4.3Å; V856-F971 HydrophobicContact CG1-CE1 3.5Å; V856-F971 HydrophobicContact CG1-CE2 4.43Å; V856-F971 HydrophobicContact CG1-CZ 3.58Å; V856-H1002 HydrophobicContact CG2-CB 3.96Å; V856-H1002 PolarHBondContact N-O 3.5Å; V856-H1002 PolarHBondContact O-N 2.96Å; V856-A1004 HydrophobicContact CG2-CB 4.29Å; V856-M1019 HydrophobicContact CG2-CE 3.87Å |
| 857 | I | 91.4 | Very high | 84 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 107.5 | 170.2 | -57.8 | 178.5 | 0 | 0 | 0 | 107.8 | F859 G869 R870 I872 M1001 | I857-F859 HydrophobicContact CB-CE2 4.15Å; I857-F859 HydrophobicContact CB-CZ 3.98Å; I857-F859 HydrophobicContact CG2-CD1 4.44Å; I857-F859 HydrophobicContact CG2-CE1 3.74Å; I857-F859 HydrophobicContact CG2-CE2 4.01Å; I857-F859 HydrophobicContact CG2-CZ 3.48Å; I857-F859 VanDerWaalsContact CG2-CZ 3.48Å; I857-F859 WeakPolarHBondContact O-CD2 3.45Å; I857-F859 WeakPolarHBondContact O-CE2 3.39Å; I857-G869 CarbonylContact O-C 3.54Å; I857-G869 WeakPolarHBondContact O-CA 3.35Å; I857-R870 PolarHBondContact N-O 3.15Å; I857-R870 PolarHBondContact O-N 2.59Å; I857-I872 HydrophobicContact CD1-CD1 3.96Å; I857-I872 HydrophobicContact CD1-CG1 3.77Å; I857-I872 HydrophobicContact CG1-CD1 4.42Å; I857-I872 HydrophobicContact CG1-CG1 3.91Å; I857-M1001 HydrophobicContact CG1-CB 4.4Å; I857-M1001 HydrophobicContact CG1-CG 4.39Å |
| 858 | P | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.2 | 174.6 | -17.7 | 32.7 | 0 | 0 | 0 | 111.2 | I861 I997 G999 K1000 M1019 | P858-I861 HydrophobicContact CB-CD1 3.63Å; P858-I997 HydrophobicContact CB-CD1 4.43Å; P858-I997 HydrophobicContact CB-CG1 4.43Å; P858-I997 HydrophobicContact CG-CD1 4.36Å; P858-I997 HydrophobicContact CG-CG1 4.45Å; P858-G999 PolarHBondContact O-N 3.3Å; P858-K1000 WeakPolarHBondContact CD-O 2.99Å; P858-M1019 HydrophobicContact CG-CE 3.52Å |
| 859 | F | 88.2 | Confident | 87.1 | Confident | 69 Ų | 69 | 34.1 Ų | 34.1 | 30% | 0.303 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -37.5 | 176.7 | -66.4 | -68.6 | 0 | 0 | 0 | 112.5 | I857 F868 R870 | I857-F859 HydrophobicContact CB-CE2 4.15Å; I857-F859 HydrophobicContact CB-CZ 3.98Å; I857-F859 HydrophobicContact CG2-CD1 4.44Å; I857-F859 HydrophobicContact CG2-CE1 3.74Å; I857-F859 HydrophobicContact CG2-CE2 4.01Å; I857-F859 HydrophobicContact CG2-CZ 3.48Å; I857-F859 VanDerWaalsContact CG2-CZ 3.48Å; I857-F859 WeakPolarHBondContact O-CD2 3.45Å; I857-F859 WeakPolarHBondContact O-CE2 3.39Å; F859-F868 PolarHBondContact N-O 2.93Å; F859-R870 HydrophobicContact CD2-CG 4.11Å; F859-R870 HydrophobicContact CE2-CB 3.91Å; F859-R870 HydrophobicContact CE2-CG 3.63Å |
| 860 | Y | 91.3 | Very high | 88.2 | Confident | 67 Ų | 67 | 32.9 Ų | 32.9 | 26% | 0.263 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.4 | -178.8 | 174.3 | -117.9 | 0 | 0 | 0 | 110.9 | Y867 F868 R945 | Y860-Y867 CarbonylContact O-C 3.56Å; Y860-Y867 WeakPolarHBondContact O-CA 3.41Å; Y860-F868 HydrophobicContact CD1-CB 4.31Å; Y860-F868 AromaticContact CD1-CD2 3.61Å; Y860-F868 HydrophobicContact CD1-CD2 3.61Å; Y860-F868 HydrophobicContact CD1-CE2 4.33Å; Y860-F868 HydrophobicContact CD1-CG 4.25Å; Y860-F868 HydrophobicContact CE1-CD2 4.12Å; Y860-F868 HydrophobicContact CE1-CE2 4.42Å; Y860-F868 PolarHBondContact N-O 2.89Å; Y860-F868 PolarHBondContact O-N 3.04Å; Y860-R945 HydrophobicContact CD1-CB 4.02Å; Y860-R945 HydrophobicContact CD2-CB 4.3Å; Y860-R945 HydrophobicContact CE1-CB 4.16Å; Y860-R945 HydrophobicContact CE2-CB 4.44Å; Y860-R945 HydrophobicContact CG-CB 4.1Å |
| 861 | I | 92.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.8 | -179.9 | -51.4 | -45 | 0 | 0 | 0 | 107.5 | P858 N863 Y867 H994 I997 | P858-I861 HydrophobicContact CB-CD1 3.63Å; I861-N863 VanDerWaalsContact CG2-O 3.31Å; I861-N863 WeakPolarHBondContact CG2-O 3.4Å; I861-Y867 HydrophobicContact CB-CD1 4.35Å; I861-Y867 HydrophobicContact CD1-CD1 3.78Å; I861-Y867 HydrophobicContact CD1-CG 3.86Å; I861-Y867 HydrophobicContact CG2-CD1 3.7Å; I861-Y867 HydrophobicContact CG2-CE1 3.89Å; I861-H994 HydrophobicContact CB-CB 4.24Å; I861-H994 HydrophobicContact CG1-CB 4.33Å; I861-H994 HydrophobicContact CG2-CB 4.28Å; I861-I997 HydrophobicContact CD1-CD1 3.63Å; I861-I997 HydrophobicContact CD1-CG1 3.77Å; I861-I997 HydrophobicContact CG1-CD1 4.29Å; I861-I997 HydrophobicContact CG1-CG1 4.16Å |
| 862 | S | 90.6 | Very high | 89.7 | Confident | 52 Ų | 52 | 29.6 Ų | 29.6 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | trans | -73.1 | -46.6 | -178.9 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | N866 | S862-N866 WeakPolarHBondContact CB-O 3.38Å; S862-N866 PolarHBondContact N-O 3.14Å | ||
| 863 | N | 92.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 32.7 Ų | 32.7 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -151.1 | -171.7 | 173.5 | 64.3 | 49.5 | 0 | 0 | 0 | 109.8 | I861 T865 N866 Y867 W985 | I861-N863 VanDerWaalsContact CG2-O 3.31Å; I861-N863 WeakPolarHBondContact CG2-O 3.4Å; N863-T865 PolarHBondContact O-N 2.83Å; N863-T865 VanDerWaalsContact O-N 3.16Å; N863-T865 PolarHBondContact OD1-N 2.85Å; N863-T865 PolarHBondContact OD1-OG1 3.1Å; N863-N866 PolarHBondContact N-O 3.3Å; N863-N866 PolarHBondContact OD1-N 3.36Å; N863-Y867 VanDerWaalsContact O-CE1 3.26Å; N863-Y867 WeakPolarHBondContact O-CE1 3.37Å; N863-W985 HydrophobicContact CB-CB 4.44Å |
| 864 | A | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -63.1 | -19.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y867 W985 V989 T990 I1041 | A864-Y867 WeakPolarHBondContact O-CE1 3.47Å; A864-Y867 PolarHBondContact O-OH 3.41Å; A864-W985 HydrophobicContact CB-CB 3.95Å; A864-W985 HydrophobicContact CB-CD2 3.52Å; A864-W985 HydrophobicContact CB-CE3 3.93Å; A864-W985 HydrophobicContact CB-CG 3.51Å; A864-V989 HydrophobicContact CB-CB 4.27Å; A864-V989 HydrophobicContact CB-CG1 3.62Å; A864-T990 PolarHBondContact N-OG1 3.2Å; A864-I1041 WeakPolarHBondContact O-CD1 3.22Å |
| 865 | T | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -121.2 | -18 | 180 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | N863 I972 V973 V976 W985 I1041 | N863-T865 PolarHBondContact O-N 2.83Å; N863-T865 VanDerWaalsContact O-N 3.16Å; N863-T865 PolarHBondContact OD1-N 2.85Å; N863-T865 PolarHBondContact OD1-OG1 3.1Å; T865-I972 CarbonylContact O-C 3.54Å; T865-I972 WeakPolarHBondContact O-CA 3.3Å; T865-V973 HydrophobicContact CG2-CB 4.49Å; T865-V973 PolarHBondContact O-N 3.04Å; T865-V976 HydrophobicContact CG2-CG1 3.44Å; T865-V976 VanDerWaalsContact CG2-CG1 3.44Å; T865-W985 HydrophobicContact CG2-CZ2 3.56Å; T865-W985 PolarHBondContact OG1-NE1 3.19Å; T865-W985 VanDerWaalsContact OG1-NE1 3.1Å; T865-I1041 HydrophobicContact CG2-CD1 4Å |
| 866 | N | 94.6 | Very high | 84.9 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.1 | -178.7 | -173.2 | -15.9 | 0 | 0 | 0 | 111.4 | S862 N863 E970 F971 | S862-N866 WeakPolarHBondContact CB-O 3.38Å; S862-N866 PolarHBondContact N-O 3.14Å; N863-N866 PolarHBondContact N-O 3.3Å; N863-N866 PolarHBondContact OD1-N 3.36Å; N866-E970 PolarHBondContact ND2-OE1 2.58Å; N866-E970 WeakPolarHBondContact OD1-CG 3.41Å; N866-F971 WeakPolarHBondContact CA-O 3.36Å |
| 867 | Y | 94.1 | Very high | 84 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.3 | -177.5 | -38.2 | -40.9 | 0 | 0 | 0 | 111.1 | Y860 I861 N863 A864 E970 F971 V973 I993 I997 M1019 V1037 | Y860-Y867 CarbonylContact O-C 3.56Å; Y860-Y867 WeakPolarHBondContact O-CA 3.41Å; I861-Y867 HydrophobicContact CB-CD1 4.35Å; I861-Y867 HydrophobicContact CD1-CD1 3.78Å; I861-Y867 HydrophobicContact CD1-CG 3.86Å; I861-Y867 HydrophobicContact CG2-CD1 3.7Å; I861-Y867 HydrophobicContact CG2-CE1 3.89Å; N863-Y867 VanDerWaalsContact O-CE1 3.26Å; N863-Y867 WeakPolarHBondContact O-CE1 3.37Å; A864-Y867 WeakPolarHBondContact O-CE1 3.47Å; A864-Y867 PolarHBondContact O-OH 3.41Å; Y867-E970 CarbonylContact O-C 3.55Å; Y867-E970 WeakPolarHBondContact O-CA 3.44Å; Y867-F971 PolarHBondContact N-O 2.9Å; Y867-F971 PolarHBondContact O-N 3.27Å; Y867-V973 HydrophobicContact CD2-CG2 4.28Å; Y867-V973 HydrophobicContact CE2-CG2 3.37Å; Y867-I993 HydrophobicContact CE1-CG2 4.11Å; Y867-I997 HydrophobicContact CD1-CD1 4.03Å; Y867-I997 HydrophobicContact CD2-CD1 3.73Å; Y867-I997 HydrophobicContact CE1-CD1 3.84Å; Y867-I997 HydrophobicContact CE2-CD1 3.47Å; Y867-I997 VanDerWaalsContact CE2-CD1 3.47Å; Y867-I997 HydrophobicContact CG-CD1 4.02Å; Y867-M1019 HydrophobicContact CD2-CE 4.4Å; Y867-M1019 HydrophobicContact CD2-SD 4.12Å; Y867-M1019 HydrophobicContact CE2-CE 4.49Å; Y867-M1019 HydrophobicContact CE2-SD 3.86Å; Y867-V1037 HydrophobicContact CE2-CG1 4.15Å; Y867-V1037 WeakPolarHBondContact OH-CG1 3.44Å |
| 868 | F | 93.1 | Very high | 83.2 | Confident | 25 Ų | 25 | 50 Ų | 50 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.4 | 167.3 | -66.3 | -96.6 | 0 | 0 | 0 | 109.2 | F859 Y860 E943 V969 E970 | F859-F868 PolarHBondContact N-O 2.93Å; Y860-F868 HydrophobicContact CD1-CB 4.31Å; Y860-F868 AromaticContact CD1-CD2 3.61Å; Y860-F868 HydrophobicContact CD1-CD2 3.61Å; Y860-F868 HydrophobicContact CD1-CE2 4.33Å; Y860-F868 HydrophobicContact CD1-CG 4.25Å; Y860-F868 HydrophobicContact CE1-CD2 4.12Å; Y860-F868 HydrophobicContact CE1-CE2 4.42Å; Y860-F868 PolarHBondContact N-O 2.89Å; Y860-F868 PolarHBondContact O-N 3.04Å; F868-E943 VanDerWaalsContact CB-O 3.26Å; F868-E943 WeakPolarHBondContact CB-O 2.95Å; F868-V969 WeakPolarHBondContact CA-O 3.41Å; F868-E970 HydrophobicContact CD1-CB 3.99Å; F868-E970 HydrophobicContact CD1-CG 4.39Å; F868-E970 HydrophobicContact CE1-CB 3.63Å; F868-E970 HydrophobicContact CE1-CG 3.82Å; F868-E970 HydrophobicContact CE2-CG 4.34Å; F868-E970 HydrophobicContact CZ-CB 4.15Å; F868-E970 HydrophobicContact CZ-CG 3.79Å |
| 869 | G | 90.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | -175.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I857 V969 | I857-G869 CarbonylContact O-C 3.54Å; I857-G869 WeakPolarHBondContact O-CA 3.35Å; G869-V969 PolarHBondContact N-O 3.09Å; G869-V969 PolarHBondContact O-N 3.34Å |
| 870 | R | 88.3 | Confident | 82.3 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147.8 | 175.1 | -62.5 | -174.8 | -61.9 | 119.6 | -4.3 | 110.9 | V856 I857 F859 I872 D877 E880 Q967 | V856-R870 WeakPolarHBondContact CA-O 3.43Å; I857-R870 PolarHBondContact N-O 3.15Å; I857-R870 PolarHBondContact O-N 2.59Å; F859-R870 HydrophobicContact CD2-CG 4.11Å; F859-R870 HydrophobicContact CE2-CB 3.91Å; F859-R870 HydrophobicContact CE2-CG 3.63Å; R870-I872 HydrophobicContact CB-CD1 4.49Å; R870-D877 IonicContact CZ-OD2 3.67Å; R870-D877 IonicContact NH1-OD1 2.71Å; R870-D877 PolarHBondContact NH1-OD1 2.84Å; R870-D877 IonicContact NH1-OD2 3.9Å; R870-D877 PolarHBondContact NH1-OD2 2.76Å; R870-D877 IonicContact NH2-OD2 3.03Å; R870-E880 IonicContact NH2-OE1 3.7Å; R870-Q967 HydrophobicContact CG-CB 4.1Å |
| 871 | I | 86.1 | Confident | 81.9 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129 | 169.7 | -56.7 | 175.8 | 0 | 0 | 0 | 107.7 | L848 I854 R855 V856 V969 F971 L1014 | L848-I871 HydrophobicContact CD2-CD1 3.74Å; I854-I871 HydrophobicContact CB-CG2 4.27Å; I854-I871 HydrophobicContact CD1-CD1 4.38Å; I854-I871 HydrophobicContact CD1-CG1 4.42Å; I854-I871 HydrophobicContact CG2-CG2 4.45Å; R855-I871 WeakPolarHBondContact O-CA 3.3Å; V856-I871 HydrophobicContact CG1-CG1 4.46Å; I871-V969 HydrophobicContact CD1-CG1 4.4Å; I871-V969 HydrophobicContact CD1-CG2 4.1Å; I871-V969 HydrophobicContact CG1-CG2 4.26Å; I871-F971 HydrophobicContact CG1-CE1 4.18Å; I871-F971 HydrophobicContact CG1-CZ 3.79Å; I871-L1014 HydrophobicContact CD1-CD1 3.73Å |
| 872 | I | 81.3 | Confident | 81.5 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.185 | 27% | 0.273 | C | S | . | . | trans | -102.3 | 106.8 | -178.9 | -53.2 | -59.9 | 0 | 0 | 0 | 109.7 | R855 I857 R870 | R855-I872 HydrophobicContact CB-CB 4.42Å; R855-I872 PolarHBondContact O-N 2.9Å; I857-I872 HydrophobicContact CD1-CD1 3.96Å; I857-I872 HydrophobicContact CD1-CG1 3.77Å; I857-I872 HydrophobicContact CG1-CD1 4.42Å; I857-I872 HydrophobicContact CG1-CG1 3.91Å; R870-I872 HydrophobicContact CB-CD1 4.49Å | ||
| 873 | D | 66.5 | Low | 81.3 | Confident | 81 Ų | 81 | 52.9 Ų | 52.9 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | trans | -71.2 | 167.7 | 172.2 | -158.4 | -10.2 | 0 | 0 | 0 | 110.3 | K846 R855 H875 | K846-D873 IonicContact NZ-OD2 2.68Å; K846-D873 PolarHBondContact NZ-OD2 2.86Å; R855-D873 PolarHBondContact NH2-O 3.01Å; D873-H875 PolarHBondContact O-N 2.83Å; D873-H875 IonicContact OD2-CD2 2.72Å | ||
| 874 | K | 57.6 | Low | 81 | Confident | 183 Ų | 183 | 53.5 Ų | 53.5 | 80% | 0.796 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.8 | -10.6 | 175.6 | -67.5 | 179.3 | -178.4 | 175.2 | 0 | 113.1 | ||
| 875 | H | 55.2 | Low | 80.8 | Confident | 140 Ų | 140 | 58.9 Ų | 58.9 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -94.8 | 166.6 | 176.9 | -58.7 | -66.6 | 0 | 0 | 0 | 111.7 | D873 D877 | D873-H875 PolarHBondContact O-N 2.83Å; D873-H875 IonicContact OD2-CD2 2.72Å; H875-D877 PolarHBondContact O-N 2.89Å |
| 876 | V | 59.1 | Low | 80.6 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | trans | -48.3 | 132 | -176.5 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | L878 | V876-L878 PolarHBondContact O-N 2.96Š| ||
| 877 | D | 70.4 | Confident | 80.2 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | trans | -72.9 | 89.3 | 179 | -169.2 | -16.3 | 0 | 0 | 0 | 110.8 | R870 H875 Y879 E880 T881 | R870-D877 IonicContact CZ-OD2 3.67Å; R870-D877 IonicContact NH1-OD1 2.71Å; R870-D877 PolarHBondContact NH1-OD1 2.84Å; R870-D877 IonicContact NH1-OD2 3.9Å; R870-D877 PolarHBondContact NH1-OD2 2.76Å; R870-D877 IonicContact NH2-OD2 3.03Å; H875-D877 PolarHBondContact O-N 2.89Å; D877-Y879 PolarHBondContact O-N 3.45Å; D877-Y879 VanDerWaalsContact O-N 3.15Å; D877-Y879 WeakPolarHBondContact OD1-CB 3.14Å; D877-Y879 PolarHBondContact OD1-N 2.85Å; D877-E880 HydrophobicContact CB-CB 4.28Å; D877-E880 HydrophobicContact CB-CG 4.25Å; D877-E880 PolarHBondContact O-N 3.08Å; D877-E880 VanDerWaalsContact O-N 3.12Å; D877-E880 PolarHBondContact OD1-N 3.37Å; D877-E880 WeakPolarHBondContact OD2-CG 3.38Å; D877-T881 PolarHBondContact O-N 2.84Å | ||
| 878 | L | 74.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.9 | -26.3 | -179.7 | -64.1 | 172.8 | 0 | 0 | 0 | 113 | V876 L882 L964 | V876-L878 PolarHBondContact O-N 2.96Å; L878-L882 PolarHBondContact O-N 3.13Å; L878-L882 VanDerWaalsContact O-N 3.07Å; L878-L964 HydrophobicContact CB-CD1 4.24Å; L878-L964 HydrophobicContact CB-CD2 4.37Å |
| 879 | Y | 81.4 | Confident | 79.7 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 9% | 0.09 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.6 | -38.3 | 178.2 | 173.7 | -101.3 | 0 | 0 | 0 | 111.8 | D877 T881 L882 N883 D942 Q967 | D877-Y879 PolarHBondContact O-N 3.45Å; D877-Y879 VanDerWaalsContact O-N 3.15Å; D877-Y879 WeakPolarHBondContact OD1-CB 3.14Å; D877-Y879 PolarHBondContact OD1-N 2.85Å; Y879-T881 VanDerWaalsContact C-N 3.27Å; Y879-T881 PolarHBondContact O-N 2.86Å; Y879-L882 HydrophobicContact CD2-CD2 4.49Å; Y879-L882 PolarHBondContact O-N 3.07Å; Y879-N883 HydrophobicContact CE1-CB 4.21Å; Y879-N883 HydrophobicContact CE2-CB 4.45Å; Y879-N883 WeakPolarHBondContact O-CB 3.43Å; Y879-N883 PolarHBondContact O-N 3.34Å; Y879-D942 HydrophobicContact CE2-CB 3.74Å; Y879-D942 WeakPolarHBondContact CE2-OD2 3.24Å; Y879-D942 VanDerWaalsContact OH-CB 3.3Å; Y879-D942 WeakPolarHBondContact OH-CB 3.33Å; Y879-Q967 HydrophobicContact CD2-CB 4.42Å; Y879-Q967 HydrophobicContact CD2-CG 3.6Å; Y879-Q967 HydrophobicContact CE2-CG 4.25Å; Y879-Q967 HydrophobicContact CG-CG 3.9Å |
| 880 | E | 80.9 | Confident | 79.6 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 176.2 | -77.3 | -174.6 | 175.7 | 0 | 0 | 111.5 | R870 D877 A884 | R870-E880 IonicContact NH2-OE1 3.7Å; D877-E880 HydrophobicContact CB-CB 4.28Å; D877-E880 HydrophobicContact CB-CG 4.25Å; D877-E880 PolarHBondContact O-N 3.08Å; D877-E880 VanDerWaalsContact O-N 3.12Å; D877-E880 PolarHBondContact OD1-N 3.37Å; D877-E880 WeakPolarHBondContact OD2-CG 3.38Å; E880-A884 WeakPolarHBondContact O-CB 3.38Å; E880-A884 PolarHBondContact O-N 3.33Å |
| 881 | T | 82.9 | Confident | 79.4 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 172.4 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | D877 Y879 N883 A884 E885 | D877-T881 PolarHBondContact O-N 2.84Å; Y879-T881 VanDerWaalsContact C-N 3.27Å; Y879-T881 PolarHBondContact O-N 2.86Å; T881-N883 VanDerWaalsContact C-N 3.31Å; T881-N883 PolarHBondContact O-N 2.87Å; T881-A884 PolarHBondContact O-N 3.31Å; T881-E885 WeakPolarHBondContact O-CG 3.29Å; T881-E885 PolarHBondContact O-N 2.91Å |
| 882 | L | 85.4 | Confident | 79.4 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 178.7 | 179.7 | 141.7 | 0 | 0 | 0 | 112 | L878 Y879 E885 M886 F961 L964 | L878-L882 PolarHBondContact O-N 3.13Å; L878-L882 VanDerWaalsContact O-N 3.07Å; Y879-L882 HydrophobicContact CD2-CD2 4.49Å; Y879-L882 PolarHBondContact O-N 3.07Å; L882-E885 PolarHBondContact O-N 3.38Å; L882-M886 WeakPolarHBondContact O-CB 3.3Å; L882-M886 PolarHBondContact O-N 3.4Å; L882-F961 HydrophobicContact CD1-CD1 4.48Å; L882-F961 HydrophobicContact CG-CD1 4.15Å; L882-L964 HydrophobicContact CB-CD1 3.86Å; L882-L964 HydrophobicContact CD1-CB 4.14Å; L882-L964 HydrophobicContact CD1-CD1 3.78Å; L882-L964 HydrophobicContact CD1-CG 3.82Å; L882-L964 HydrophobicContact CG-CD1 4.3Å |
| 883 | N | 85.6 | Confident | 79.4 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 24% | 0.235 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 179 | -172.3 | 46.3 | 0 | 0 | 0 | 111 | Y879 T881 M886 N887 | Y879-N883 HydrophobicContact CE1-CB 4.21Å; Y879-N883 HydrophobicContact CE2-CB 4.45Å; Y879-N883 WeakPolarHBondContact O-CB 3.43Å; Y879-N883 PolarHBondContact O-N 3.34Å; T881-N883 VanDerWaalsContact C-N 3.31Å; T881-N883 PolarHBondContact O-N 2.87Å; N883-M886 PolarHBondContact O-N 3.39Å; N883-N887 WeakPolarHBondContact O-CB 3.49Å; N883-N887 PolarHBondContact O-N 2.71Å; N883-N887 PolarHBondContact O-ND2 3.48Å; N883-N887 PolarHBondContact OD1-ND2 3.17Å |
| 884 | A | 86.4 | Confident | 80.2 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -49 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | E880 T881 M886 N887 E888 | E880-A884 WeakPolarHBondContact O-CB 3.38Å; E880-A884 PolarHBondContact O-N 3.33Å; T881-A884 PolarHBondContact O-N 3.31Å; A884-M886 VanDerWaalsContact C-N 3.33Å; A884-M886 PolarHBondContact O-N 2.94Å; A884-N887 PolarHBondContact O-N 2.91Å; A884-E888 WeakPolarHBondContact O-CG 3.48Å; A884-E888 PolarHBondContact O-N 3.47Å |
| 885 | E | 87.8 | Confident | 81.5 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 177.6 | -71 | 177.9 | -169 | 0 | 0 | 112.8 | T881 L882 Y889 F961 | T881-E885 WeakPolarHBondContact O-CG 3.29Å; T881-E885 PolarHBondContact O-N 2.91Å; L882-E885 PolarHBondContact O-N 3.38Å; E885-Y889 WeakPolarHBondContact O-CB 3.26Å; E885-Y889 PolarHBondContact O-N 2.86Å; E885-F961 HydrophobicContact CB-CE1 4.12Å |
| 886 | M | 90.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 177.2 | -176.2 | -177.9 | 60.1 | 0 | 0 | 111.7 | L882 N883 A884 Y889 F890 F916 R918 L957 F961 | L882-M886 WeakPolarHBondContact O-CB 3.3Å; L882-M886 PolarHBondContact O-N 3.4Å; N883-M886 PolarHBondContact O-N 3.39Å; A884-M886 VanDerWaalsContact C-N 3.33Å; A884-M886 PolarHBondContact O-N 2.94Å; M886-Y889 PolarHBondContact O-N 3.08Å; M886-F890 HydrophobicContact CG-CD2 3.81Å; M886-F890 HydrophobicContact CG-CE2 3.79Å; M886-F890 WeakPolarHBondContact O-CD2 3.49Å; M886-F890 PolarHBondContact O-N 3.15Å; M886-F890 VanDerWaalsContact O-N 3.12Å; M886-F890 HydrophobicContact SD-CE2 4.47Å; M886-F916 WeakPolarHBondContact CE-O 3.5Å; M886-R918 HydrophobicContact CE-CG 4.19Å; M886-R918 HydrophobicContact SD-CG 3.62Å; M886-L957 HydrophobicContact SD-CD1 4.1Å; M886-F961 HydrophobicContact CB-CD1 3.94Å; M886-F961 HydrophobicContact CB-CD2 4.47Å; M886-F961 HydrophobicContact CB-CE1 3.72Å; M886-F961 HydrophobicContact CB-CE2 4.26Å; M886-F961 HydrophobicContact CB-CG 4.32Å; M886-F961 HydrophobicContact CB-CZ 3.89Å; M886-F961 HydrophobicContact CG-CD1 4.4Å; M886-F961 HydrophobicContact CG-CD2 4.16Å; M886-F961 HydrophobicContact CG-CE1 4.42Å; M886-F961 HydrophobicContact CG-CE2 4.15Å; M886-F961 HydrophobicContact CG-CG 4.28Å; M886-F961 HydrophobicContact CG-CZ 4.29Å |
| 887 | N | 87.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 66 Ų | 66 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.8 | -79 | -71.9 | 0 | 0 | 0 | 111.7 | N883 A884 K891 L915 F916 | N883-N887 WeakPolarHBondContact O-CB 3.49Å; N883-N887 PolarHBondContact O-N 2.71Å; N883-N887 PolarHBondContact O-ND2 3.48Å; N883-N887 PolarHBondContact OD1-ND2 3.17Å; A884-N887 PolarHBondContact O-N 2.91Å; N887-K891 VanDerWaalsContact O-CG 3.31Å; N887-K891 WeakPolarHBondContact O-CG 3.37Å; N887-K891 PolarHBondContact O-N 3.43Å; N887-L915 WeakPolarHBondContact OD1-CA 3.44Å; N887-F916 WeakPolarHBondContact OD1-CD2 3.42Å; N887-F916 PolarHBondContact OD1-N 3.43Å |
| 888 | E | 88 | Confident | 84.7 | Confident | 111 Ų | 111 | 67 Ų | 67 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 172.7 | -72.2 | -57.2 | 140.3 | 0 | 0 | 112.1 | A884 F890 K891 | A884-E888 WeakPolarHBondContact O-CG 3.48Å; A884-E888 PolarHBondContact O-N 3.47Å; E888-F890 PolarHBondContact O-N 3.39Å; E888-K891 WeakPolarHBondContact O-CB 3.17Å; E888-K891 PolarHBondContact O-N 3.12Å; E888-K891 IonicContact OE1-NZ 2.53Å; E888-K891 PolarHBondContact OE1-NZ 3.37Å; E888-K891 IonicContact OE2-NZ 3.63Å |
| 889 | Y | 88.1 | Confident | 85 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 26% | 0.255 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 179.8 | 177.3 | -99.8 | 0 | 0 | 0 | 113 | E885 M886 N895 P958 F961 | E885-Y889 WeakPolarHBondContact O-CB 3.26Å; E885-Y889 PolarHBondContact O-N 2.86Å; M886-Y889 PolarHBondContact O-N 3.08Å; Y889-N895 HydrophobicContact CD1-CB 4.22Å; Y889-N895 HydrophobicContact CE1-CB 3.73Å; Y889-N895 HydrophobicContact CE2-CB 4.11Å; Y889-N895 WeakPolarHBondContact CE2-ND2 3.47Å; Y889-N895 WeakPolarHBondContact O-CB 3.23Å; Y889-N895 PolarHBondContact O-ND2 3.42Å; Y889-P958 HydrophobicContact CD1-CG 4.06Å; Y889-P958 HydrophobicContact CE1-CG 3.32Å; Y889-P958 HydrophobicContact CE2-CG 4.49Å; Y889-F961 AromaticContact CD1-CE2 3.8Å; Y889-F961 HydrophobicContact CD1-CE2 3.8Å; Y889-F961 HydrophobicContact CD1-CZ 4.45Å; Y889-F961 HydrophobicContact CE1-CE2 4.5Å; Y889-F961 AromaticContact CG-CE2 3.97Å; Y889-F961 HydrophobicContact CG-CE2 3.97Å; Y889-F961 HydrophobicContact CG-CZ 4.18Å |
| 890 | F | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -83.9 | -5.6 | -178.6 | -72.1 | -65 | 0 | 0 | 0 | 114.2 | M886 E888 E892 K896 F916 L955 L956 L957 | M886-F890 HydrophobicContact CG-CD2 3.81Å; M886-F890 HydrophobicContact CG-CE2 3.79Å; M886-F890 WeakPolarHBondContact O-CD2 3.49Å; M886-F890 PolarHBondContact O-N 3.15Å; M886-F890 VanDerWaalsContact O-N 3.12Å; M886-F890 HydrophobicContact SD-CE2 4.47Å; E888-F890 PolarHBondContact O-N 3.39Å; F890-E892 PolarHBondContact O-N 2.79Å; F890-K896 WeakPolarHBondContact O-CE 3.37Å; F890-F916 HydrophobicContact CB-CB 4.33Å; F890-F916 HydrophobicContact CB-CD1 3.43Å; F890-F916 VanDerWaalsContact CB-CD1 3.43Å; F890-F916 HydrophobicContact CB-CD2 3.54Å; F890-F916 HydrophobicContact CB-CE1 3.46Å; F890-F916 VanDerWaalsContact CB-CE1 3.46Å; F890-F916 HydrophobicContact CB-CE2 3.57Å; F890-F916 HydrophobicContact CB-CG 3.47Å; F890-F916 VanDerWaalsContact CB-CG 3.47Å; F890-F916 HydrophobicContact CB-CZ 3.54Å; F890-F916 HydrophobicContact CD2-CB 3.92Å; F890-F916 HydrophobicContact CD2-CD1 4.11Å; F890-F916 AromaticContact CD2-CG 3.97Å; F890-F916 HydrophobicContact CD2-CG 3.97Å; F890-F916 HydrophobicContact CG-CB 4.47Å; F890-F916 AromaticContact CG-CD1 3.85Å; F890-F916 HydrophobicContact CG-CD1 3.85Å; F890-F916 HydrophobicContact CG-CE1 4.22Å; F890-F916 HydrophobicContact CG-CG 4.02Å; F890-F916 VanDerWaalsContact O-CZ 3.24Å; F890-F916 WeakPolarHBondContact O-CZ 3.27Å; F890-L955 HydrophobicContact CD1-CD1 3.97Å; F890-L955 HydrophobicContact CE1-CB 4.08Å; F890-L955 HydrophobicContact CE1-CD1 4.12Å; F890-L955 HydrophobicContact CZ-CB 4.46Å; F890-L956 WeakPolarHBondContact CZ-O 3.38Å; F890-L957 HydrophobicContact CE2-CD1 4.12Å; F890-L957 HydrophobicContact CZ-CD1 4.3Å |
| 891 | K | 85.3 | Confident | 84.4 | Confident | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | 168.5 | -85.9 | 173.9 | -173.2 | 177.8 | 0 | 111.8 | N887 E888 S893 | N887-K891 VanDerWaalsContact O-CG 3.31Å; N887-K891 WeakPolarHBondContact O-CG 3.37Å; N887-K891 PolarHBondContact O-N 3.43Å; E888-K891 WeakPolarHBondContact O-CB 3.17Å; E888-K891 PolarHBondContact O-N 3.12Å; E888-K891 IonicContact OE1-NZ 2.53Å; E888-K891 PolarHBondContact OE1-NZ 3.37Å; E888-K891 IonicContact OE2-NZ 3.63Å; K891-S893 PolarHBondContact O-N 2.86Å |
| 892 | E | 85.3 | Confident | 84.3 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -72.4 | 120.1 | 174.5 | -65.3 | -179.1 | 174.6 | 0 | 0 | 110.4 | F890 S894 N895 | F890-E892 PolarHBondContact O-N 2.79Å; E892-S894 PolarHBondContact O-N 2.76Å; E892-N895 WeakPolarHBondContact CB-ND2 3.29Å; E892-N895 PolarHBondContact O-N 3.31Å; E892-N895 PolarHBondContact OE2-ND2 3.31Å |
| 893 | S | 82.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 73 Ų | 73 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -61.7 | -25.5 | -178.3 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | K891 N895 K896 | K891-S893 PolarHBondContact O-N 2.86Å; S893-N895 PolarHBondContact O-N 3.32Å; S893-K896 PolarHBondContact O-N 3.13Å |
| 894 | S | 83.1 | Confident | 84.1 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -65.2 | -24.7 | 174.5 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | E892 | E892-S894 PolarHBondContact O-N 2.76Š|
| 895 | N | 84.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 78 Ų | 78 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -93 | -3.6 | -176.2 | -63.5 | -23.2 | 0 | 0 | 0 | 112.9 | Y889 E892 S893 T897 | Y889-N895 HydrophobicContact CD1-CB 4.22Å; Y889-N895 HydrophobicContact CE1-CB 3.73Å; Y889-N895 HydrophobicContact CE2-CB 4.11Å; Y889-N895 WeakPolarHBondContact CE2-ND2 3.47Å; Y889-N895 WeakPolarHBondContact O-CB 3.23Å; Y889-N895 PolarHBondContact O-ND2 3.42Å; E892-N895 WeakPolarHBondContact CB-ND2 3.29Å; E892-N895 PolarHBondContact O-N 3.31Å; E892-N895 PolarHBondContact OE2-ND2 3.31Å; S893-N895 PolarHBondContact O-N 3.32Å; N895-T897 PolarHBondContact O-N 3.03Å; N895-T897 VanDerWaalsContact O-N 3.15Å |
| 896 | K | 84.4 | Confident | 83.7 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 30% | 0.296 | 38% | 0.382 | S | S | . | . | trans | -87.2 | 72.1 | 178.8 | -62.9 | -173.9 | 177.7 | -165.4 | 0 | 111.1 | F890 S893 E911 L955 | F890-K896 WeakPolarHBondContact O-CE 3.37Å; S893-K896 PolarHBondContact O-N 3.13Å; K896-E911 IonicContact NZ-OE1 3.69Å; K896-E911 PolarHBondContact NZ-OE1 3.45Å; K896-E911 IonicContact NZ-OE2 2.69Å; K896-E911 PolarHBondContact NZ-OE2 2.91Å; K896-L955 HydrophobicContact CB-CD2 4.16Å; K896-L955 HydrophobicContact CG-CD1 4.44Å | ||
| 897 | T | 84.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 76 Ų | 76 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | trans | -91.5 | 120.5 | 176.3 | -47 | 0 | 0 | 0 | 0 | 110.7 | N895 L955 L956 | N895-T897 PolarHBondContact O-N 3.03Å; N895-T897 VanDerWaalsContact O-N 3.15Å; T897-L955 WeakPolarHBondContact O-CA 3.45Å; T897-L956 HydrophobicContact CG2-CD1 3.95Å; T897-L956 PolarHBondContact O-N 3.08Å | ||
| 898 | S | 83.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -68.5 | 143.9 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | E900 L954 | S898-E900 PolarHBondContact O-N 3.17Å; S898-L954 CarbonylContact C-O 3.59Å; S898-L954 VanDerWaalsContact CA-O 3.3Å; S898-L954 WeakPolarHBondContact CA-O 3.21Å |
| 899 | A | 80.8 | Confident | 84 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | trans | -76.3 | 112 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V902 Y908 L954 L956 | A899-V902 HydrophobicContact CB-CG2 4.35Å; A899-Y908 HydrophobicContact CB-CD1 3.8Å; A899-Y908 HydrophobicContact CB-CE1 3.64Å; A899-L954 HydrophobicContact CB-CB 4.19Å; A899-L954 PolarHBondContact N-O 3.43Å; A899-L956 HydrophobicContact CB-CD2 3.99Å | ||
| 900 | E | 71.8 | Confident | 84.1 | Confident | 181 Ų | 181 | 67.9 Ų | 67.9 | 85% | 0.846 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.9 | -42.5 | 177.4 | -65 | -174.4 | 170 | 0 | 0 | 112.4 | S898 | S898-E900 PolarHBondContact O-N 3.17Š|
| 901 | K | 77 | Confident | 84.1 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 65% | 0.652 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -112.9 | 117.7 | 177.7 | -165.6 | -174.5 | 177 | -141 | 0 | 109.6 | E903 Y908 | K901-E903 IonicContact NZ-OE1 3.25Å; K901-E903 PolarHBondContact NZ-OE1 3.48Å; K901-Y908 PolarHBondContact O-OH 3.46Å |
| 902 | V | 81.4 | Confident | 83.9 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | trans | -104.4 | 121.2 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | A899 Y908 V921 V924 I936 R951 L954 | A899-V902 HydrophobicContact CB-CG2 4.35Å; V902-Y908 WeakPolarHBondContact CA-OH 3.44Å; V902-Y908 HydrophobicContact CG1-CE2 4.14Å; V902-V921 HydrophobicContact CG1-CB 4.37Å; V902-V921 HydrophobicContact CG1-CG1 4.08Å; V902-V921 HydrophobicContact CG1-CG2 3.65Å; V902-V924 HydrophobicContact CG1-CG2 4.1Å; V902-I936 HydrophobicContact CB-CD1 4.43Å; V902-I936 HydrophobicContact CG1-CD1 4.21Å; V902-I936 HydrophobicContact CG2-CD1 4.07Å; V902-R951 HydrophobicContact CG2-CG 4.13Å; V902-L954 HydrophobicContact CG1-CD1 3.89Å; V902-L954 HydrophobicContact CG2-CD1 3.85Å | ||
| 903 | E | 84.1 | Confident | 83.7 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | trans | -103.7 | 144.7 | -179.5 | -60.2 | -170.3 | 163.4 | 0 | 0 | 110.6 | K901 G906 Y908 | K901-E903 IonicContact NZ-OE1 3.25Å; K901-E903 PolarHBondContact NZ-OE1 3.48Å; E903-G906 PolarHBondContact O-N 2.72Å; E903-Y908 PolarHBondContact N-OH 2.98Å | ||
| 904 | N | 81.6 | Confident | 83.4 | Confident | 99 Ų | 99 | 72 Ų | 72 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 137.2 | 176.4 | -161.4 | 2.1 | 0 | 0 | 0 | 109.8 | G906 V921 L922 | N904-G906 PolarHBondContact O-N 3.44Å; N904-V921 PolarHBondContact OD1-O 3.02Å; N904-L922 PolarHBondContact OD1-O 3.49Å |
| 905 | L | 82.1 | Confident | 83.4 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 56% | 0.555 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 4.2 | -172 | -53.3 | 174.1 | 0 | 0 | 0 | 115.7 | Q920 V921 | L905-Q920 PolarHBondContact O-NE2 3.4Å; L905-V921 WeakPolarHBondContact CA-O 3.39Å; L905-V921 PolarHBondContact N-O 3.11Å |
| 906 | G | 85.7 | Confident | 83.6 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | -68.9 | 152.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E903 N904 Y908 Q920 V921 | E903-G906 PolarHBondContact O-N 2.72Å; N904-G906 PolarHBondContact O-N 3.44Å; G906-Y908 WeakPolarHBondContact O-CD2 3.28Å; G906-Q920 WeakPolarHBondContact O-CA 3.46Å; G906-V921 PolarHBondContact O-N 2.74Å | ||
| 907 | L | 89.6 | Confident | 83.8 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.1 | 179.2 | -67.7 | 179 | 0 | 0 | 0 | 111.8 | V919 Q920 I941 L957 | L907-V919 WeakPolarHBondContact CA-O 3.37Å; L907-Q920 HydrophobicContact CD2-CB 3.92Å; L907-Q920 HydrophobicContact CD2-CG 4.31Å; L907-I941 HydrophobicContact CD2-CD1 3.9Å; L907-I941 HydrophobicContact CD2-CG2 4.4Å; L907-L957 HydrophobicContact CB-CD2 4.31Å |
| 908 | Y | 91.6 | Very high | 84.1 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 165.7 | -175.3 | -61.3 | -85.8 | 0 | 0 | 0 | 111.2 | A899 K901 V902 E903 G906 V919 V921 L954 L955 | A899-Y908 HydrophobicContact CB-CD1 3.8Å; A899-Y908 HydrophobicContact CB-CE1 3.64Å; K901-Y908 PolarHBondContact O-OH 3.46Å; V902-Y908 WeakPolarHBondContact CA-OH 3.44Å; V902-Y908 HydrophobicContact CG1-CE2 4.14Å; E903-Y908 PolarHBondContact N-OH 2.98Å; G906-Y908 WeakPolarHBondContact O-CD2 3.28Å; Y908-V919 PolarHBondContact N-O 2.69Å; Y908-V919 PolarHBondContact O-N 3.02Å; Y908-V921 HydrophobicContact CD2-CG2 3.59Å; Y908-V921 HydrophobicContact CE2-CB 4.48Å; Y908-V921 HydrophobicContact CE2-CG2 3.62Å; Y908-L954 HydrophobicContact CG-CD2 4.21Å; Y908-L955 WeakPolarHBondContact CB-O 3.27Å |
| 909 | G | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 147.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q917 L955 | G909-Q917 CarbonylContact C-O 3.57Å; G909-Q917 WeakPolarHBondContact CA-O 3.49Å; G909-L955 PolarHBondContact N-O 3.36Å; G909-L955 PolarHBondContact O-N 3.15Å |
| 910 | L | 89.9 | Confident | 85 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.4 | 171.9 | 179 | 64.8 | 0 | 0 | 0 | 109.4 | F916 Q917 V919 L940 K947 I949 Q953 | L910-F916 WeakPolarHBondContact O-CA 3.41Å; L910-Q917 PolarHBondContact N-O 3.11Å; L910-Q917 PolarHBondContact O-N 2.87Å; L910-V919 HydrophobicContact CB-CG1 3.56Å; L910-V919 HydrophobicContact CB-CG2 4.1Å; L910-V919 HydrophobicContact CD2-CG1 3.92Å; L910-V919 HydrophobicContact CG-CG1 4.4Å; L910-L940 HydrophobicContact CD2-CD1 4.34Å; L910-K947 HydrophobicContact CD2-CD 4.47Å; L910-I949 HydrophobicContact CD1-CD1 3.96Å; L910-I949 HydrophobicContact CD1-CG2 4.21Å; L910-I949 HydrophobicContact CD2-CG2 4.19Å; L910-Q953 HydrophobicContact CD1-CB 3.81Å; L910-Q953 WeakPolarHBondContact CD1-O 3.27Å |
| 911 | E | 87.6 | Confident | 85.8 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.6 | 171.6 | -175.4 | 166.5 | -161.2 | 0 | 0 | 110.1 | K896 F916 | K896-E911 IonicContact NZ-OE1 3.69Å; K896-E911 PolarHBondContact NZ-OE1 3.45Å; K896-E911 IonicContact NZ-OE2 2.69Å; K896-E911 PolarHBondContact NZ-OE2 2.91Å; E911-F916 HydrophobicContact CB-CD1 3.9Å; E911-F916 HydrophobicContact CB-CE1 3.64Å; E911-F916 HydrophobicContact CG-CD1 4.17Å; E911-F916 HydrophobicContact CG-CE1 3.58Å; E911-F916 HydrophobicContact CG-CZ 4.08Å |
| 912 | E | 81.8 | Confident | 86.2 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 108.2 | 173.6 | -170.5 | 164.2 | -126 | 0 | 0 | 110.5 | T914 L915 K947 | E912-T914 PolarHBondContact O-N 2.61Å; E912-L915 PolarHBondContact N-O 3.01Å; E912-L915 PolarHBondContact O-N 2.96Å; E912-K947 IonicContact OE1-NZ 3.59Å; E912-K947 PolarHBondContact OE1-NZ 3.17Å |
| 913 | K | 80.8 | Confident | 86.2 | Confident | 195 Ų | 195 | 54.9 Ų | 54.9 | 85% | 0.848 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -92.3 | -173.9 | -56.4 | 175.7 | -179 | 175.6 | 0 | 112 | ||
| 914 | T | 74.7 | Confident | 86 | Confident | 118 Ų | 118 | 52 Ų | 52 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 6.2 | -177.1 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | E912 | E912-T914 PolarHBondContact O-N 2.61Š|
| 915 | L | 83.6 | Confident | 85.5 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.9 | -177.5 | -64.6 | 172.7 | 0 | 0 | 0 | 109.8 | N887 E912 | N887-L915 WeakPolarHBondContact OD1-CA 3.44Å; E912-L915 PolarHBondContact N-O 3.01Å; E912-L915 PolarHBondContact O-N 2.96Å |
| 916 | F | 88 | Confident | 84.4 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.2 | 175.6 | -60.1 | -85.8 | 0 | 0 | 0 | 109.2 | M886 N887 F890 L910 E911 L955 | M886-F916 WeakPolarHBondContact CE-O 3.5Å; N887-F916 WeakPolarHBondContact OD1-CD2 3.42Å; N887-F916 PolarHBondContact OD1-N 3.43Å; F890-F916 HydrophobicContact CB-CB 4.33Å; F890-F916 HydrophobicContact CB-CD1 3.43Å; F890-F916 VanDerWaalsContact CB-CD1 3.43Å; F890-F916 HydrophobicContact CB-CD2 3.54Å; F890-F916 HydrophobicContact CB-CE1 3.46Å; F890-F916 VanDerWaalsContact CB-CE1 3.46Å; F890-F916 HydrophobicContact CB-CE2 3.57Å; F890-F916 HydrophobicContact CB-CG 3.47Å; F890-F916 VanDerWaalsContact CB-CG 3.47Å; F890-F916 HydrophobicContact CB-CZ 3.54Å; F890-F916 HydrophobicContact CD2-CB 3.92Å; F890-F916 HydrophobicContact CD2-CD1 4.11Å; F890-F916 AromaticContact CD2-CG 3.97Å; F890-F916 HydrophobicContact CD2-CG 3.97Å; F890-F916 HydrophobicContact CG-CB 4.47Å; F890-F916 AromaticContact CG-CD1 3.85Å; F890-F916 HydrophobicContact CG-CD1 3.85Å; F890-F916 HydrophobicContact CG-CE1 4.22Å; F890-F916 HydrophobicContact CG-CG 4.02Å; F890-F916 VanDerWaalsContact O-CZ 3.24Å; F890-F916 WeakPolarHBondContact O-CZ 3.27Å; L910-F916 WeakPolarHBondContact O-CA 3.41Å; E911-F916 HydrophobicContact CB-CD1 3.9Å; E911-F916 HydrophobicContact CB-CE1 3.64Å; E911-F916 HydrophobicContact CG-CD1 4.17Å; E911-F916 HydrophobicContact CG-CE1 3.58Å; E911-F916 HydrophobicContact CG-CZ 4.08Å; F916-L955 HydrophobicContact CD1-CD1 4.09Å; F916-L955 HydrophobicContact CE1-CD1 4.07Å |
| 917 | Q | 89.1 | Confident | 82.7 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.5 | -177.3 | -58.5 | -161.2 | 2.2 | 0 | 0 | 111.6 | G909 L910 E943 | G909-Q917 CarbonylContact C-O 3.57Å; G909-Q917 WeakPolarHBondContact CA-O 3.49Å; L910-Q917 PolarHBondContact N-O 3.11Å; L910-Q917 PolarHBondContact O-N 2.87Å; Q917-E943 PolarHBondContact NE2-OE1 3.23Å; Q917-E943 PolarHBondContact OE1-OE1 3.37Å |
| 918 | R | 92 | Very high | 80.6 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.3 | 171.7 | -55.7 | -172.8 | -61.2 | 166.6 | 5.8 | 109.3 | M886 I941 D942 L957 F961 L964 P965 | M886-R918 HydrophobicContact CE-CG 4.19Å; M886-R918 HydrophobicContact SD-CG 3.62Å; R918-I941 HydrophobicContact CB-CD1 3.8Å; R918-I941 HydrophobicContact CB-CG1 3.71Å; R918-I941 WeakPolarHBondContact O-CG1 3.49Å; R918-I941 PolarHBondContact O-N 3.4Å; R918-I941 VanDerWaalsContact O-N 3.12Å; R918-D942 IonicContact CZ-OD1 3.17Å; R918-D942 IonicContact CZ-OD2 2.65Å; R918-D942 IonicContact NE-OD1 3.73Å; R918-D942 IonicContact NE-OD2 2.69Å; R918-D942 PolarHBondContact NE-OD2 3.27Å; R918-D942 IonicContact NH2-OD1 3.59Å; R918-D942 PolarHBondContact NH2-OD1 2.77Å; R918-D942 IonicContact NH2-OD2 3.68Å; R918-D942 PolarHBondContact NH2-OD2 3Å; R918-L957 HydrophobicContact CG-CD1 4.4Å; R918-L957 HydrophobicContact CG-CD2 4.15Å; R918-F961 WeakPolarHBondContact CD-O 3.4Å; R918-F961 PolarHBondContact NH1-O 2.89Å; R918-L964 PolarHBondContact NH1-O 2.97Å; R918-L964 PolarHBondContact NH2-O 2.94Å; R918-P965 PolarHBondContact NH2-O 2.99Å |
| 919 | V | 91.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.9 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L907 Y908 L910 V938 K939 L940 L954 | L907-V919 WeakPolarHBondContact CA-O 3.37Å; Y908-V919 PolarHBondContact N-O 2.69Å; Y908-V919 PolarHBondContact O-N 3.02Å; L910-V919 HydrophobicContact CB-CG1 3.56Å; L910-V919 HydrophobicContact CB-CG2 4.1Å; L910-V919 HydrophobicContact CD2-CG1 3.92Å; L910-V919 HydrophobicContact CG-CG1 4.4Å; V919-V938 HydrophobicContact CB-CB 4.11Å; V919-V938 HydrophobicContact CB-CG2 4.27Å; V919-V938 HydrophobicContact CG1-CG2 4.4Å; V919-V938 HydrophobicContact CG2-CB 4.35Å; V919-V938 HydrophobicContact CG2-CG1 4.4Å; V919-K939 CarbonylContact C-O 3.55Å; V919-K939 VanDerWaalsContact CA-O 3.28Å; V919-K939 WeakPolarHBondContact CA-O 3.09Å; V919-L940 HydrophobicContact CG1-CD1 3.78Å; V919-L940 HydrophobicContact CG1-CG 3.85Å; V919-L954 HydrophobicContact CG2-CD2 3.74Å |
| 920 | Q | 91.1 | Very high | 76.1 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 25% | 0.248 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.2 | 172.2 | -177.3 | 172.6 | 38 | 0 | 0 | 109.5 | L905 G906 L907 V938 K939 I941 | L905-Q920 PolarHBondContact O-NE2 3.4Å; G906-Q920 WeakPolarHBondContact O-CA 3.46Å; L907-Q920 HydrophobicContact CD2-CB 3.92Å; L907-Q920 HydrophobicContact CD2-CG 4.31Å; Q920-V938 CarbonylContact O-C 3.57Å; Q920-V938 VanDerWaalsContact O-CA 3.28Å; Q920-V938 WeakPolarHBondContact O-CA 3.36Å; Q920-K939 PolarHBondContact N-O 3.49Å; Q920-K939 PolarHBondContact O-N 3.49Å; Q920-I941 HydrophobicContact CB-CG2 3.48Å; Q920-I941 VanDerWaalsContact CB-CG2 3.48Å |
| 921 | V | 88.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.3 | 175.7 | 175 | 0 | 0 | 0 | 0 | 109.8 | V902 N904 L905 G906 Y908 V924 I936 V938 L954 | V902-V921 HydrophobicContact CG1-CB 4.37Å; V902-V921 HydrophobicContact CG1-CG1 4.08Å; V902-V921 HydrophobicContact CG1-CG2 3.65Å; N904-V921 PolarHBondContact OD1-O 3.02Å; L905-V921 WeakPolarHBondContact CA-O 3.39Å; L905-V921 PolarHBondContact N-O 3.11Å; G906-V921 PolarHBondContact O-N 2.74Å; Y908-V921 HydrophobicContact CD2-CG2 3.59Å; Y908-V921 HydrophobicContact CE2-CB 4.48Å; Y908-V921 HydrophobicContact CE2-CG2 3.62Å; V921-V924 HydrophobicContact CG1-CG2 3.65Å; V921-I936 HydrophobicContact CG1-CG2 3.76Å; V921-I936 HydrophobicContact CG2-CG2 4.11Å; V921-V938 HydrophobicContact CG2-CG1 4.05Å; V921-L954 HydrophobicContact CG2-CD1 4.22Å |
| 922 | L | 84.8 | Confident | 71.9 | Confident | 58 Ų | 58 | 88.9 Ų | 88.9 | 30% | 0.304 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -39.3 | 179 | -61.9 | 178.8 | 0 | 0 | 0 | 112.6 | N904 L937 K939 T946 | N904-L922 PolarHBondContact OD1-O 3.49Å; L922-L937 HydrophobicContact CB-CD2 4.35Å; L922-L937 HydrophobicContact CB-CG 4.34Å; L922-L937 HydrophobicContact CD1-CD2 4.35Å; L922-L937 HydrophobicContact CD1-CG 4.33Å; L922-L937 PolarHBondContact N-O 2.82Å; L922-K939 HydrophobicContact CD1-CB 3.83Å; L922-K939 HydrophobicContact CD2-CB 4.2Å; L922-K939 HydrophobicContact CG-CB 4.03Å; L922-T946 HydrophobicContact CD1-CG2 3.9Å |
| 923 | E | 83.3 | Confident | 70.4 | Confident | 82 Ų | 82 | 93 Ų | 93 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 132.3 | -176.6 | -159.9 | 177 | 172.2 | 0 | 0 | 108.8 | R353 L937 | R353-E923 IonicContact CZ-OE2 2.73Å; R353-E923 IonicContact NH1-OE1 3.89Å; R353-E923 IonicContact NH1-OE2 2.69Å; R353-E923 PolarHBondContact NH1-OE2 2.83Å; R353-E923 IonicContact NH2-OE2 3.6Å; R353-E923 PolarHBondContact NH2-OE2 3.05Å; E923-L937 HydrophobicContact CB-CB 4.13Å; E923-L937 HydrophobicContact CB-CD2 4.49Å; E923-L937 PolarHBondContact N-O 3.1Å; E923-L937 PolarHBondContact O-N 3.33Å |
| 924 | V | 79.5 | Confident | 69.6 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 107.4 | 173.8 | -179 | 0 | 0 | 0 | 0 | 106.9 | V902 V921 Q926 I936 | V902-V924 HydrophobicContact CG1-CG2 4.1Å; V921-V924 HydrophobicContact CG1-CG2 3.65Å; V924-Q926 PolarHBondContact O-N 3.28Å; V924-I936 HydrophobicContact CG1-CG1 4.49Å; V924-I936 HydrophobicContact CG2-CG2 4.38Å |
| 925 | S | 71.6 | Confident | 69.8 | Low | 41 Ų | 41 | 82 Ų | 82 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | trans | -82.5 | 119.1 | 176.5 | 73.8 | 0 | 0 | 0 | 0 | 109.8 | S935 | S925-S935 WeakPolarHBondContact CB-O 3.41Å; S925-S935 PolarHBondContact N-O 3.15Å; S925-S935 VanDerWaalsContact N-O 3.17Å; S925-S935 PolarHBondContact OG-N 3.4Å; S925-S935 PolarHBondContact OG-O 3.19Å; S925-S935 PolarHBondContact OG-OG 3.01Å | ||
| 926 | Q | 58.7 | Low | 69.9 | Low | 166 Ų | 166 | 77.9 Ų | 77.9 | 78% | 0.776 | 41% | 0.405 | S | S | * | . | trans | -100.6 | 107.8 | 164.3 | -67 | -174.6 | 13.3 | 0 | 0 | 106.5 | V924 | V924-Q926 PolarHBondContact O-N 3.28Š| ||
| 927 | K | 48.9 | Very low | 69.9 | Low | 176 Ų | 176 | 79.7 Ų | 79.7 | 77% | 0.765 | 42% | 0.415 | S | S | * | . | trans | -78.7 | 124.8 | 164.4 | -81.9 | -173.5 | 173.7 | -177 | 0 | 107.3 | D929 | K927-D929 PolarHBondContact O-N 3.07Š| ||
| 928 | E | 45.9 | Very low | 69.9 | Low | 196 Ų | 196 | 78.8 Ų | 78.8 | 92% | 0.916 | 41% | 0.411 | S | S | * | . | trans | -70.3 | -2.4 | -180 | -81.2 | -175.6 | 150.1 | 0 | 0 | 114.1 | ||||
| 929 | D | 39.9 | Very low | 69.8 | Low | 136 Ų | 136 | 81.6 Ų | 81.6 | 73% | 0.727 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -105.9 | 119.1 | -179.7 | -73 | -36.5 | 0 | 0 | 0 | 113.6 | K927 | K927-D929 PolarHBondContact O-N 3.07Š|
| 930 | T | 47.4 | Very low | 69.7 | Low | 121 Ų | 121 | 81.6 Ų | 81.6 | 74% | 0.742 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 2 | 114.8 | 160 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 931 | W | 43.2 | Very low | 69.5 | Low | 251 Ų | 251 | 79.3 Ų | 79.3 | 95% | 0.951 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 2.1 | 164.7 | -62.3 | 74.5 | 0 | 0 | 0 | 119.8 | ||
| 932 | G | 46.1 | Very low | 69.5 | Low | 56 Ų | 56 | 79.5 Ų | 79.5 | 58% | 0.577 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 122 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G934 | G932-G934 PolarHBondContact O-N 2.81Å; G932-G934 VanDerWaalsContact O-N 3.13Å |
| 933 | L | 50.6 | Low | 69.5 | Low | 141 Ų | 141 | 78.9 Ų | 78.9 | 74% | 0.738 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 116.4 | 166.8 | -70.6 | 166.8 | 0 | 0 | 0 | 108.6 | S935 | L933-S935 PolarHBondContact O-N 3.22Š|
| 934 | G | 63.7 | Low | 69.5 | Low | 32 Ų | 32 | 75.2 Ų | 75.2 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 125.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | G932 | G932-G934 PolarHBondContact O-N 2.81Å; G932-G934 VanDerWaalsContact O-N 3.13Å |
| 935 | S | 79 | Confident | 69.9 | Low | 50 Ų | 50 | 77.3 Ų | 77.3 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.4 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | S925 L933 | S925-S935 WeakPolarHBondContact CB-O 3.41Å; S925-S935 PolarHBondContact N-O 3.15Å; S925-S935 VanDerWaalsContact N-O 3.17Å; S925-S935 PolarHBondContact OG-N 3.4Å; S925-S935 PolarHBondContact OG-O 3.19Å; S925-S935 PolarHBondContact OG-OG 3.01Å; L933-S935 PolarHBondContact O-N 3.22Å |
| 936 | I | 85.1 | Confident | 70.7 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.5 | -177.5 | -55.8 | 173.3 | 0 | 0 | 0 | 107.6 | V902 V921 V924 V938 L948 I949 R951 L954 | V902-I936 HydrophobicContact CB-CD1 4.43Å; V902-I936 HydrophobicContact CG1-CD1 4.21Å; V902-I936 HydrophobicContact CG2-CD1 4.07Å; V921-I936 HydrophobicContact CG1-CG2 3.76Å; V921-I936 HydrophobicContact CG2-CG2 4.11Å; V924-I936 HydrophobicContact CG1-CG1 4.49Å; V924-I936 HydrophobicContact CG2-CG2 4.38Å; I936-V938 HydrophobicContact CG2-CG1 3.93Å; I936-L948 WeakPolarHBondContact O-CA 3.49Å; I936-I949 HydrophobicContact CB-CG1 4.3Å; I936-I949 PolarHBondContact N-O 3.29Å; I936-I949 PolarHBondContact O-N 2.94Å; I936-R951 HydrophobicContact CD1-CB 3.88Å; I936-R951 HydrophobicContact CD1-CG 4.32Å; I936-L954 HydrophobicContact CD1-CD1 3.68Å; I936-L954 HydrophobicContact CG2-CD1 4.35Å |
| 937 | L | 88.4 | Confident | 72.1 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.2 | 173.4 | -176.8 | 65.9 | 0 | 0 | 0 | 108.7 | L922 E923 L948 | L922-L937 HydrophobicContact CB-CD2 4.35Å; L922-L937 HydrophobicContact CB-CG 4.34Å; L922-L937 HydrophobicContact CD1-CD2 4.35Å; L922-L937 HydrophobicContact CD1-CG 4.33Å; L922-L937 PolarHBondContact N-O 2.82Å; E923-L937 HydrophobicContact CB-CB 4.13Å; E923-L937 HydrophobicContact CB-CD2 4.49Å; E923-L937 PolarHBondContact N-O 3.1Å; E923-L937 PolarHBondContact O-N 3.33Å; L937-L948 HydrophobicContact CB-CD2 4.1Å; L937-L948 HydrophobicContact CD1-CD2 4.13Å; L937-L948 HydrophobicContact CD1-CG 4.12Å |
| 938 | V | 89.4 | Confident | 74 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.3 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | V919 Q920 V921 I936 L940 T946 K947 I949 L954 | V919-V938 HydrophobicContact CB-CB 4.11Å; V919-V938 HydrophobicContact CB-CG2 4.27Å; V919-V938 HydrophobicContact CG1-CG2 4.4Å; V919-V938 HydrophobicContact CG2-CB 4.35Å; V919-V938 HydrophobicContact CG2-CG1 4.4Å; Q920-V938 CarbonylContact O-C 3.57Å; Q920-V938 VanDerWaalsContact O-CA 3.28Å; Q920-V938 WeakPolarHBondContact O-CA 3.36Å; V921-V938 HydrophobicContact CG2-CG1 4.05Å; I936-V938 HydrophobicContact CG2-CG1 3.93Å; V938-L940 HydrophobicContact CG2-CD1 4.23Å; V938-T946 CarbonylContact O-C 3.11Å; V938-T946 VanDerWaalsContact O-CA 3.24Å; V938-T946 WeakPolarHBondContact O-CA 3.11Å; V938-K947 HydrophobicContact CG2-CB 4.34Å; V938-K947 WeakPolarHBondContact CG2-O 3.25Å; V938-K947 PolarHBondContact N-O 2.71Å; V938-K947 PolarHBondContact O-N 2.74Å; V938-I949 HydrophobicContact CB-CD1 4.36Å; V938-I949 HydrophobicContact CG1-CD1 3.59Å; V938-I949 HydrophobicContact CG1-CG1 3.93Å; V938-I949 HydrophobicContact CG2-CD1 3.81Å; V938-I949 HydrophobicContact CG2-CG1 4.03Å; V938-I949 HydrophobicContact CG2-CG2 4.22Å; V938-L954 HydrophobicContact CG1-CD2 4.22Å |
| 939 | K | 89.3 | Confident | 76 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 27% | 0.265 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.5 | 170.3 | -175.7 | 175.8 | -178.6 | 178 | 0 | 109.5 | V919 Q920 L922 I941 R945 T946 | V919-K939 CarbonylContact C-O 3.55Å; V919-K939 VanDerWaalsContact CA-O 3.28Å; V919-K939 WeakPolarHBondContact CA-O 3.09Å; Q920-K939 PolarHBondContact N-O 3.49Å; Q920-K939 PolarHBondContact O-N 3.49Å; L922-K939 HydrophobicContact CD1-CB 3.83Å; L922-K939 HydrophobicContact CD2-CB 4.2Å; L922-K939 HydrophobicContact CG-CB 4.03Å; K939-I941 PolarHBondContact O-N 3.12Å; K939-I941 VanDerWaalsContact O-N 3.17Å; K939-R945 WeakPolarHBondContact CA-O 3.46Å; K939-T946 HydrophobicContact CB-CG2 4.23Å; K939-T946 HydrophobicContact CG-CG2 4.26Å |
| 940 | L | 90.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 105.6 | 172.6 | -74.9 | 57 | 0 | 0 | 0 | 106.4 | L910 V919 V938 D942 E943 G944 R945 K947 | L910-L940 HydrophobicContact CD2-CD1 4.34Å; V919-L940 HydrophobicContact CG1-CD1 3.78Å; V919-L940 HydrophobicContact CG1-CG 3.85Å; V938-L940 HydrophobicContact CG2-CD1 4.23Å; L940-D942 PolarHBondContact O-N 2.97Å; L940-E943 HydrophobicContact CB-CB 4.18Å; L940-E943 PolarHBondContact O-N 2.68Å; L940-G944 WeakPolarHBondContact O-CA 3.38Å; L940-G944 PolarHBondContact O-N 3.48Å; L940-R945 HydrophobicContact CB-CG 3.88Å; L940-R945 HydrophobicContact CD1-CG 4.19Å; L940-R945 VanDerWaalsContact CD2-CD 3.47Å; L940-R945 HydrophobicContact CD2-CG 3.47Å; L940-R945 VanDerWaalsContact CD2-CG 3.47Å; L940-R945 HydrophobicContact CG-CG 4.04Å; L940-R945 PolarHBondContact N-O 3Å; L940-K947 HydrophobicContact CD1-CB 4.28Å |
| 941 | I | 87.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.2 | -164.7 | 59.7 | 165.6 | 0 | 0 | 0 | 113.5 | L907 R918 Q920 K939 P966 Q967 A968 | L907-I941 HydrophobicContact CD2-CD1 3.9Å; L907-I941 HydrophobicContact CD2-CG2 4.4Å; R918-I941 HydrophobicContact CB-CD1 3.8Å; R918-I941 HydrophobicContact CB-CG1 3.71Å; R918-I941 WeakPolarHBondContact O-CG1 3.49Å; R918-I941 PolarHBondContact O-N 3.4Å; R918-I941 VanDerWaalsContact O-N 3.12Å; Q920-I941 HydrophobicContact CB-CG2 3.48Å; Q920-I941 VanDerWaalsContact CB-CG2 3.48Å; K939-I941 PolarHBondContact O-N 3.12Å; K939-I941 VanDerWaalsContact O-N 3.17Å; I941-P966 HydrophobicContact CB-CB 4.05Å; I941-P966 HydrophobicContact CB-CG 4.3Å; I941-P966 HydrophobicContact CD1-CG 4.34Å; I941-Q967 PolarHBondContact O-N 2.94Å; I941-A968 VanDerWaalsContact O-CB 3.24Å; I941-A968 WeakPolarHBondContact O-CB 3.46Å; I941-A968 PolarHBondContact O-N 2.95Å; I941-A968 VanDerWaalsContact O-N 3.15Å |
| 942 | D | 86.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -17.6 | -179.7 | -58.9 | -45.8 | 0 | 0 | 0 | 113.4 | Y879 R918 L940 Q967 | Y879-D942 HydrophobicContact CE2-CB 3.74Å; Y879-D942 WeakPolarHBondContact CE2-OD2 3.24Å; Y879-D942 VanDerWaalsContact OH-CB 3.3Å; Y879-D942 WeakPolarHBondContact OH-CB 3.33Å; R918-D942 IonicContact CZ-OD1 3.17Å; R918-D942 IonicContact CZ-OD2 2.65Å; R918-D942 IonicContact NE-OD1 3.73Å; R918-D942 IonicContact NE-OD2 2.69Å; R918-D942 PolarHBondContact NE-OD2 3.27Å; R918-D942 IonicContact NH2-OD1 3.59Å; R918-D942 PolarHBondContact NH2-OD1 2.77Å; R918-D942 IonicContact NH2-OD2 3.68Å; R918-D942 PolarHBondContact NH2-OD2 3Å; L940-D942 PolarHBondContact O-N 2.97Å; D942-Q967 HydrophobicContact CB-CB 4.36Å; D942-Q967 WeakPolarHBondContact OD1-CB 3.36Å; D942-Q967 WeakPolarHBondContact OD1-CG 3.47Å; D942-Q967 PolarHBondContact OD1-N 3.08Å; D942-Q967 VanDerWaalsContact OD1-N 3.11Å |
| 943 | E | 84.7 | Confident | 83.6 | Confident | 45 Ų | 45 | 51 Ų | 51 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -24.6 | 173.6 | -64.7 | -163.8 | 171.9 | 0 | 0 | 113.6 | F868 Q917 L940 R945 | F868-E943 VanDerWaalsContact CB-O 3.26Å; F868-E943 WeakPolarHBondContact CB-O 2.95Å; Q917-E943 PolarHBondContact NE2-OE1 3.23Å; Q917-E943 PolarHBondContact OE1-OE1 3.37Å; L940-E943 HydrophobicContact CB-CB 4.18Å; L940-E943 PolarHBondContact O-N 2.68Å; E943-R945 VanDerWaalsContact C-N 3.33Å; E943-R945 HydrophobicContact CB-CG 4.3Å; E943-R945 PolarHBondContact O-N 2.89Å; E943-R945 WeakPolarHBondContact OE2-CD 3.35Å; E943-R945 IonicContact OE2-NH1 2.82Å |
| 944 | G | 83.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | trans | 87.6 | -11.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L940 A968 | L940-G944 WeakPolarHBondContact O-CA 3.38Å; L940-G944 PolarHBondContact O-N 3.48Å; G944-A968 VanDerWaalsContact N-CB 3.29Å | ||
| 945 | R | 87.8 | Confident | 86.7 | Confident | 89 Ų | 89 | 43.2 Ų | 43.2 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | trans | -75.4 | 153.6 | -180 | 72.3 | -166.9 | -55.8 | 141.7 | 7.2 | 113.2 | Y860 K939 L940 E943 | Y860-R945 HydrophobicContact CD1-CB 4.02Å; Y860-R945 HydrophobicContact CD2-CB 4.3Å; Y860-R945 HydrophobicContact CE1-CB 4.16Å; Y860-R945 HydrophobicContact CE2-CB 4.44Å; Y860-R945 HydrophobicContact CG-CB 4.1Å; K939-R945 WeakPolarHBondContact CA-O 3.46Å; L940-R945 HydrophobicContact CB-CG 3.88Å; L940-R945 HydrophobicContact CD1-CG 4.19Å; L940-R945 VanDerWaalsContact CD2-CD 3.47Å; L940-R945 HydrophobicContact CD2-CG 3.47Å; L940-R945 VanDerWaalsContact CD2-CG 3.47Å; L940-R945 HydrophobicContact CG-CG 4.04Å; L940-R945 PolarHBondContact N-O 3Å; E943-R945 VanDerWaalsContact C-N 3.33Å; E943-R945 HydrophobicContact CB-CG 4.3Å; E943-R945 PolarHBondContact O-N 2.89Å; E943-R945 WeakPolarHBondContact OE2-CD 3.35Å; E943-R945 IonicContact OE2-NH1 2.82Å | ||
| 946 | T | 88.9 | Confident | 87.2 | Confident | 83 Ų | 83 | 45 Ų | 45 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.4 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | L922 V938 K939 | L922-T946 HydrophobicContact CD1-CG2 3.9Å; V938-T946 CarbonylContact O-C 3.11Å; V938-T946 VanDerWaalsContact O-CA 3.24Å; V938-T946 WeakPolarHBondContact O-CA 3.11Å; K939-T946 HydrophobicContact CB-CG2 4.23Å; K939-T946 HydrophobicContact CG-CG2 4.26Å |
| 947 | K | 88 | Confident | 87.3 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 27% | 0.274 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 142.3 | -176.9 | -168.4 | 176.4 | 178.4 | -177.6 | 0 | 110.9 | L910 E912 V938 L940 I949 | L910-K947 HydrophobicContact CD2-CD 4.47Å; E912-K947 IonicContact OE1-NZ 3.59Å; E912-K947 PolarHBondContact OE1-NZ 3.17Å; V938-K947 HydrophobicContact CG2-CB 4.34Å; V938-K947 WeakPolarHBondContact CG2-O 3.25Å; V938-K947 PolarHBondContact N-O 2.71Å; V938-K947 PolarHBondContact O-N 2.74Å; L940-K947 HydrophobicContact CD1-CB 4.28Å; K947-I949 HydrophobicContact CB-CG2 4.48Å; K947-I949 HydrophobicContact CD-CG2 4Å; K947-I949 HydrophobicContact CG-CG2 3.97Å |
| 948 | L | 89.4 | Confident | 87.4 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.1 | 167 | -77.5 | 163.6 | 0 | 0 | 0 | 108.8 | I936 L937 | I936-L948 WeakPolarHBondContact O-CA 3.49Å; L937-L948 HydrophobicContact CB-CD2 4.1Å; L937-L948 HydrophobicContact CD1-CD2 4.13Å; L937-L948 HydrophobicContact CD1-CG 4.12Å |
| 949 | I | 88.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 166.1 | -180 | 62.3 | 168.6 | 0 | 0 | 0 | 110.5 | L910 I936 V938 K947 Q953 L954 | L910-I949 HydrophobicContact CD1-CD1 3.96Å; L910-I949 HydrophobicContact CD1-CG2 4.21Å; L910-I949 HydrophobicContact CD2-CG2 4.19Å; I936-I949 HydrophobicContact CB-CG1 4.3Å; I936-I949 PolarHBondContact N-O 3.29Å; I936-I949 PolarHBondContact O-N 2.94Å; V938-I949 HydrophobicContact CB-CD1 4.36Å; V938-I949 HydrophobicContact CG1-CD1 3.59Å; V938-I949 HydrophobicContact CG1-CG1 3.93Å; V938-I949 HydrophobicContact CG2-CD1 3.81Å; V938-I949 HydrophobicContact CG2-CG1 4.03Å; V938-I949 HydrophobicContact CG2-CG2 4.22Å; K947-I949 HydrophobicContact CB-CG2 4.48Å; K947-I949 HydrophobicContact CD-CG2 4Å; K947-I949 HydrophobicContact CG-CG2 3.97Å; I949-Q953 HydrophobicContact CB-CB 4.5Å; I949-L954 HydrophobicContact CD1-CD1 4.33Å; I949-L954 HydrophobicContact CD1-CD2 3.41Å; I949-L954 VanDerWaalsContact CD1-CD2 3.41Å; I949-L954 HydrophobicContact CD1-CG 3.6Å |
| 950 | T | 86.3 | Confident | 86.9 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 157.1 | 170.7 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | D952 Q953 | T950-D952 VanDerWaalsContact C-N 3.28Å; T950-D952 WeakPolarHBondContact CB-OD1 3.2Å; T950-D952 PolarHBondContact O-N 2.92Å; T950-D952 VanDerWaalsContact OG1-CG 3.31Å; T950-D952 PolarHBondContact OG1-OD1 2.8Å; T950-D952 PolarHBondContact OG1-OD2 3.46Å; T950-Q953 WeakPolarHBondContact O-CB 3.39Å; T950-Q953 PolarHBondContact O-N 2.84Å; T950-Q953 VanDerWaalsContact O-N 3.14Å; T950-Q953 PolarHBondContact OG1-NE2 3.12Å |
| 951 | R | 82.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 55.1 Ų | 55.1 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -59.1 | -37.1 | -175.5 | 178.7 | 177.7 | -88.9 | 166.3 | -8 | 113.3 | V902 I936 Q953 L954 | V902-R951 HydrophobicContact CG2-CG 4.13Å; I936-R951 HydrophobicContact CD1-CB 3.88Å; I936-R951 HydrophobicContact CD1-CG 4.32Å; R951-Q953 PolarHBondContact O-N 2.92Å; R951-L954 PolarHBondContact O-N 3.32Å; R951-L954 VanDerWaalsContact O-N 3.1Å |
| 952 | D | 81.8 | Confident | 86.5 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -60.7 | -21.9 | 178.8 | 52.8 | -59.2 | 0 | 0 | 0 | 113.6 | T950 | T950-D952 VanDerWaalsContact C-N 3.28Å; T950-D952 WeakPolarHBondContact CB-OD1 3.2Å; T950-D952 PolarHBondContact O-N 2.92Å; T950-D952 VanDerWaalsContact OG1-CG 3.31Å; T950-D952 PolarHBondContact OG1-OD1 2.8Å; T950-D952 PolarHBondContact OG1-OD2 3.46Å |
| 953 | Q | 85.8 | Confident | 86.1 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -82.2 | -11.9 | 177.8 | -61.8 | 176.9 | 37.9 | 0 | 0 | 113.5 | L910 I949 T950 R951 | L910-Q953 HydrophobicContact CD1-CB 3.81Å; L910-Q953 WeakPolarHBondContact CD1-O 3.27Å; I949-Q953 HydrophobicContact CB-CB 4.5Å; T950-Q953 WeakPolarHBondContact O-CB 3.39Å; T950-Q953 PolarHBondContact O-N 2.84Å; T950-Q953 VanDerWaalsContact O-N 3.14Å; T950-Q953 PolarHBondContact OG1-NE2 3.12Å; R951-Q953 PolarHBondContact O-N 2.92Å |
| 954 | L | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.9 | 179.4 | -74.4 | 176.1 | 0 | 0 | 0 | 111.1 | S898 A899 V902 Y908 V919 V921 I936 V938 I949 R951 | S898-L954 CarbonylContact C-O 3.59Å; S898-L954 VanDerWaalsContact CA-O 3.3Å; S898-L954 WeakPolarHBondContact CA-O 3.21Å; A899-L954 HydrophobicContact CB-CB 4.19Å; A899-L954 PolarHBondContact N-O 3.43Å; V902-L954 HydrophobicContact CG1-CD1 3.89Å; V902-L954 HydrophobicContact CG2-CD1 3.85Å; Y908-L954 HydrophobicContact CG-CD2 4.21Å; V919-L954 HydrophobicContact CG2-CD2 3.74Å; V921-L954 HydrophobicContact CG2-CD1 4.22Å; I936-L954 HydrophobicContact CD1-CD1 3.68Å; I936-L954 HydrophobicContact CG2-CD1 4.35Å; V938-L954 HydrophobicContact CG1-CD2 4.22Å; I949-L954 HydrophobicContact CD1-CD1 4.33Å; I949-L954 HydrophobicContact CD1-CD2 3.41Å; I949-L954 VanDerWaalsContact CD1-CD2 3.41Å; I949-L954 HydrophobicContact CD1-CG 3.6Å; R951-L954 PolarHBondContact O-N 3.32Å; R951-L954 VanDerWaalsContact O-N 3.1Å |
| 955 | L | 90.1 | Very high | 85.8 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 144.4 | 175.4 | -56.7 | 177.5 | 0 | 0 | 0 | 110.4 | F890 K896 T897 Y908 G909 F916 L957 | F890-L955 HydrophobicContact CD1-CD1 3.97Å; F890-L955 HydrophobicContact CE1-CB 4.08Å; F890-L955 HydrophobicContact CE1-CD1 4.12Å; F890-L955 HydrophobicContact CZ-CB 4.46Å; K896-L955 HydrophobicContact CB-CD2 4.16Å; K896-L955 HydrophobicContact CG-CD1 4.44Å; T897-L955 WeakPolarHBondContact O-CA 3.45Å; Y908-L955 WeakPolarHBondContact CB-O 3.27Å; G909-L955 PolarHBondContact N-O 3.36Å; G909-L955 PolarHBondContact O-N 3.15Å; F916-L955 HydrophobicContact CD1-CD1 4.09Å; F916-L955 HydrophobicContact CE1-CD1 4.07Å; L955-L957 PolarHBondContact O-N 2.92Å |
| 956 | L | 89.2 | Confident | 85.6 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 128.7 | 169.9 | -68.1 | 176.3 | 0 | 0 | 0 | 109.5 | F890 T897 A899 P958 | F890-L956 WeakPolarHBondContact CZ-O 3.38Å; T897-L956 HydrophobicContact CG2-CD1 3.95Å; T897-L956 PolarHBondContact O-N 3.08Å; A899-L956 HydrophobicContact CB-CD2 3.99Å; L956-P958 WeakPolarHBondContact O-CD 3.09Å |
| 957 | L | 87.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | trans | -95.4 | 114.5 | 178.7 | -171.1 | 69.8 | 0 | 0 | 0 | 109.6 | M886 F890 L907 R918 L955 F961 H962 | M886-L957 HydrophobicContact SD-CD1 4.1Å; F890-L957 HydrophobicContact CE2-CD1 4.12Å; F890-L957 HydrophobicContact CZ-CD1 4.3Å; L907-L957 HydrophobicContact CB-CD2 4.31Å; R918-L957 HydrophobicContact CG-CD1 4.4Å; R918-L957 HydrophobicContact CG-CD2 4.15Å; L955-L957 PolarHBondContact O-N 2.92Å; L957-F961 HydrophobicContact CD1-CB 3.8Å; L957-F961 HydrophobicContact CD1-CD2 4Å; L957-F961 HydrophobicContact CD1-CG 4.31Å; L957-F961 HydrophobicContact CD2-CB 4.31Å; L957-F961 HydrophobicContact CG-CB 3.98Å; L957-H962 PolarHBondContact O-NE2 2.82Å | ||
| 958 | P | 88.8 | Confident | 85.4 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | trans | -57.2 | 142.7 | 175.5 | -25.6 | 30.4 | 0 | 0 | 0 | 113.3 | Y889 L956 K960 F961 H962 | Y889-P958 HydrophobicContact CD1-CG 4.06Å; Y889-P958 HydrophobicContact CE1-CG 3.32Å; Y889-P958 HydrophobicContact CE2-CG 4.49Å; L956-P958 WeakPolarHBondContact O-CD 3.09Å; P958-K960 HydrophobicContact CB-CG 3.97Å; P958-K960 PolarHBondContact O-N 2.79Å; P958-F961 HydrophobicContact CB-CD2 4.09Å; P958-F961 HydrophobicContact CB-CE2 4.33Å; P958-F961 HydrophobicContact CG-CD2 4.05Å; P958-F961 HydrophobicContact CG-CE2 4.05Å; P958-F961 PolarHBondContact O-N 2.84Å; P958-H962 PolarHBondContact O-CD2 2.99Å | ||
| 959 | E | 84.4 | Confident | 85.4 | Confident | 171 Ų | 171 | 51 Ų | 51 | 80% | 0.799 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -52.2 | -33.2 | -176.3 | -68.4 | -171.7 | 169.5 | 0 | 0 | 114.2 | F961 H962 | E959-F961 PolarHBondContact O-N 2.85Å; E959-F961 VanDerWaalsContact O-N 3.07Å; E959-H962 VanDerWaalsContact CA-CD2 3.5Å; E959-H962 WeakPolarHBondContact CA-CD2 3.38Å; E959-H962 WeakPolarHBondContact O-CB 3.41Å; E959-H962 PolarHBondContact O-N 3.33Å |
| 960 | K | 84.6 | Confident | 85.6 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -54.1 | -28.9 | 175.3 | 58.5 | 172.8 | 175.5 | 171.5 | 0 | 113.8 | P958 T963 | P958-K960 HydrophobicContact CB-CG 3.97Å; P958-K960 PolarHBondContact O-N 2.79Å; K960-T963 VanDerWaalsContact O-CG2 3.32Å; K960-T963 WeakPolarHBondContact O-CG2 3.35Å; K960-T963 PolarHBondContact O-OG1 2.91Å |
| 961 | F | 86.4 | Confident | 86 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -92.1 | -1.6 | 179.8 | -56.6 | -51.5 | 0 | 0 | 0 | 114.4 | L882 E885 M886 Y889 R918 L957 P958 E959 T963 | L882-F961 HydrophobicContact CD1-CD1 4.48Å; L882-F961 HydrophobicContact CG-CD1 4.15Å; E885-F961 HydrophobicContact CB-CE1 4.12Å; M886-F961 HydrophobicContact CB-CD1 3.94Å; M886-F961 HydrophobicContact CB-CD2 4.47Å; M886-F961 HydrophobicContact CB-CE1 3.72Å; M886-F961 HydrophobicContact CB-CE2 4.26Å; M886-F961 HydrophobicContact CB-CG 4.32Å; M886-F961 HydrophobicContact CB-CZ 3.89Å; M886-F961 HydrophobicContact CG-CD1 4.4Å; M886-F961 HydrophobicContact CG-CD2 4.16Å; M886-F961 HydrophobicContact CG-CE1 4.42Å; M886-F961 HydrophobicContact CG-CE2 4.15Å; M886-F961 HydrophobicContact CG-CG 4.28Å; M886-F961 HydrophobicContact CG-CZ 4.29Å; Y889-F961 AromaticContact CD1-CE2 3.8Å; Y889-F961 HydrophobicContact CD1-CE2 3.8Å; Y889-F961 HydrophobicContact CD1-CZ 4.45Å; Y889-F961 HydrophobicContact CE1-CE2 4.5Å; Y889-F961 AromaticContact CG-CE2 3.97Å; Y889-F961 HydrophobicContact CG-CE2 3.97Å; Y889-F961 HydrophobicContact CG-CZ 4.18Å; R918-F961 WeakPolarHBondContact CD-O 3.4Å; R918-F961 PolarHBondContact NH1-O 2.89Å; L957-F961 HydrophobicContact CD1-CB 3.8Å; L957-F961 HydrophobicContact CD1-CD2 4Å; L957-F961 HydrophobicContact CD1-CG 4.31Å; L957-F961 HydrophobicContact CD2-CB 4.31Å; L957-F961 HydrophobicContact CG-CB 3.98Å; P958-F961 HydrophobicContact CB-CD2 4.09Å; P958-F961 HydrophobicContact CB-CE2 4.33Å; P958-F961 HydrophobicContact CG-CD2 4.05Å; P958-F961 HydrophobicContact CG-CE2 4.05Å; P958-F961 PolarHBondContact O-N 2.84Å; E959-F961 PolarHBondContact O-N 2.85Å; E959-F961 VanDerWaalsContact O-N 3.07Å; F961-T963 VanDerWaalsContact C-N 3.33Å |
| 962 | H | 82.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -85.5 | -11.2 | 173.9 | -64.2 | -126 | 0 | 0 | 0 | 112.1 | L957 P958 E959 L964 | L957-H962 PolarHBondContact O-NE2 2.82Å; P958-H962 PolarHBondContact O-CD2 2.99Å; E959-H962 VanDerWaalsContact CA-CD2 3.5Å; E959-H962 WeakPolarHBondContact CA-CD2 3.38Å; E959-H962 WeakPolarHBondContact O-CB 3.41Å; E959-H962 PolarHBondContact O-N 3.33Å; H962-L964 PolarHBondContact O-N 2.94Å |
| 963 | T | 78.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 61% | 0.613 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -62.7 | -35.2 | -171.5 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | K960 F961 | K960-T963 VanDerWaalsContact O-CG2 3.32Å; K960-T963 WeakPolarHBondContact O-CG2 3.35Å; K960-T963 PolarHBondContact O-OG1 2.91Å; F961-T963 VanDerWaalsContact C-N 3.33Å |
| 964 | L | 80.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -90.4 | 136.1 | 176.4 | -69 | -177.2 | 0 | 0 | 0 | 111.7 | L878 L882 R918 H962 | L878-L964 HydrophobicContact CB-CD1 4.24Å; L878-L964 HydrophobicContact CB-CD2 4.37Å; L882-L964 HydrophobicContact CB-CD1 3.86Å; L882-L964 HydrophobicContact CD1-CB 4.14Å; L882-L964 HydrophobicContact CD1-CD1 3.78Å; L882-L964 HydrophobicContact CD1-CG 3.82Å; L882-L964 HydrophobicContact CG-CD1 4.3Å; R918-L964 PolarHBondContact NH1-O 2.97Å; R918-L964 PolarHBondContact NH2-O 2.94Å; H962-L964 PolarHBondContact O-N 2.94Å |
| 965 | P | 80.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 166.2 | 172.4 | 27.6 | -33.9 | 0 | 0 | 0 | 111.4 | R918 Q967 | R918-P965 PolarHBondContact NH2-O 2.99Å; P965-Q967 PolarHBondContact O-N 3.03Å; P965-Q967 PolarHBondContact O-NE2 3.09Å |
| 966 | P | 83.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -49.8 | 127 | 169.4 | -29.7 | 37.6 | 0 | 0 | 0 | 111.6 | I941 | I941-P966 HydrophobicContact CB-CB 4.05Å; I941-P966 HydrophobicContact CB-CG 4.3Å; I941-P966 HydrophobicContact CD1-CG 4.34Å |
| 967 | Q | 84.9 | Confident | 88.2 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -90.7 | -16.7 | -176.8 | -62.1 | -59.9 | -59.2 | 0 | 0 | 113.6 | R870 Y879 I941 D942 P965 V969 | R870-Q967 HydrophobicContact CG-CB 4.1Å; Y879-Q967 HydrophobicContact CD2-CB 4.42Å; Y879-Q967 HydrophobicContact CD2-CG 3.6Å; Y879-Q967 HydrophobicContact CE2-CG 4.25Å; Y879-Q967 HydrophobicContact CG-CG 3.9Å; I941-Q967 PolarHBondContact O-N 2.94Å; D942-Q967 HydrophobicContact CB-CB 4.36Å; D942-Q967 WeakPolarHBondContact OD1-CB 3.36Å; D942-Q967 WeakPolarHBondContact OD1-CG 3.47Å; D942-Q967 PolarHBondContact OD1-N 3.08Å; D942-Q967 VanDerWaalsContact OD1-N 3.11Å; P965-Q967 PolarHBondContact O-N 3.03Å; P965-Q967 PolarHBondContact O-NE2 3.09Å; Q967-V969 PolarHBondContact O-N 3.17Å | ||
| 968 | A | 88.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | trans | -73.5 | 113.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I941 G944 N1012 | I941-A968 VanDerWaalsContact O-CB 3.24Å; I941-A968 WeakPolarHBondContact O-CB 3.46Å; I941-A968 PolarHBondContact O-N 2.95Å; I941-A968 VanDerWaalsContact O-N 3.15Å; G944-A968 VanDerWaalsContact N-CB 3.29Å; A968-N1012 PolarHBondContact O-ND2 3.41Å | ||
| 969 | V | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.1 | 170.6 | -178 | 0 | 0 | 0 | 0 | 109 | L843 L848 F868 G869 I871 Q967 F971 L1014 | L843-V969 HydrophobicContact CD1-CG2 4.34Å; L848-V969 HydrophobicContact CD2-CG2 4.1Å; F868-V969 WeakPolarHBondContact CA-O 3.41Å; G869-V969 PolarHBondContact N-O 3.09Å; G869-V969 PolarHBondContact O-N 3.34Å; I871-V969 HydrophobicContact CD1-CG1 4.4Å; I871-V969 HydrophobicContact CD1-CG2 4.1Å; I871-V969 HydrophobicContact CG1-CG2 4.26Å; Q967-V969 PolarHBondContact O-N 3.17Å; V969-F971 HydrophobicContact CB-CE1 4.41Å; V969-F971 HydrophobicContact CB-CE2 4Å; V969-F971 HydrophobicContact CB-CZ 3.79Å; V969-F971 HydrophobicContact CG1-CE1 4Å; V969-F971 HydrophobicContact CG1-CE2 4.34Å; V969-F971 HydrophobicContact CG1-CZ 3.9Å; V969-F971 WeakPolarHBondContact O-CD2 3.48Å; V969-F971 WeakPolarHBondContact O-CE2 3.44Å; V969-L1014 HydrophobicContact CG1-CD1 3.76Å; V969-L1014 HydrophobicContact CG1-CG 3.79Å |
| 970 | E | 92.7 | Very high | 88.9 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.1 | 174.8 | -173.5 | -174.8 | -169.3 | 0 | 0 | 109.4 | K816 N866 Y867 F868 N1012 T1013 L1014 | K816-E970 IonicContact NZ-OE1 3.36Å; K816-E970 PolarHBondContact NZ-OE1 3.24Å; K816-E970 IonicContact NZ-OE2 2.71Å; K816-E970 PolarHBondContact NZ-OE2 2.87Å; N866-E970 PolarHBondContact ND2-OE1 2.58Å; N866-E970 WeakPolarHBondContact OD1-CG 3.41Å; Y867-E970 CarbonylContact O-C 3.55Å; Y867-E970 WeakPolarHBondContact O-CA 3.44Å; F868-E970 HydrophobicContact CD1-CB 3.99Å; F868-E970 HydrophobicContact CD1-CG 4.39Å; F868-E970 HydrophobicContact CE1-CB 3.63Å; F868-E970 HydrophobicContact CE1-CG 3.82Å; F868-E970 HydrophobicContact CE2-CG 4.34Å; F868-E970 HydrophobicContact CZ-CB 4.15Å; F868-E970 HydrophobicContact CZ-CG 3.79Å; E970-N1012 PolarHBondContact N-O 3.28Å; E970-T1013 HydrophobicContact CB-CG2 4.44Å; E970-T1013 HydrophobicContact CG-CG2 4.24Å; E970-T1013 CarbonylContact O-C 3.49Å; E970-T1013 WeakPolarHBondContact O-CA 3.35Å; E970-T1013 PolarHBondContact OE2-OG1 3.45Å; E970-L1014 PolarHBondContact O-N 2.74Å |
| 971 | F | 93.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.9 | 179.7 | -58.9 | -78.6 | 0 | 0 | 0 | 109.9 | I854 V856 N866 Y867 I871 V969 L1014 I1016 | I854-F971 HydrophobicContact CD1-CE1 3.82Å; V856-F971 HydrophobicContact CB-CE1 4.3Å; V856-F971 HydrophobicContact CB-CE2 4.44Å; V856-F971 HydrophobicContact CB-CZ 4.04Å; V856-F971 HydrophobicContact CG1-CD1 4.3Å; V856-F971 HydrophobicContact CG1-CE1 3.5Å; V856-F971 HydrophobicContact CG1-CE2 4.43Å; V856-F971 HydrophobicContact CG1-CZ 3.58Å; N866-F971 WeakPolarHBondContact CA-O 3.36Å; Y867-F971 PolarHBondContact N-O 2.9Å; Y867-F971 PolarHBondContact O-N 3.27Å; I871-F971 HydrophobicContact CG1-CE1 4.18Å; I871-F971 HydrophobicContact CG1-CZ 3.79Å; V969-F971 HydrophobicContact CB-CE1 4.41Å; V969-F971 HydrophobicContact CB-CE2 4Å; V969-F971 HydrophobicContact CB-CZ 3.79Å; V969-F971 HydrophobicContact CG1-CE1 4Å; V969-F971 HydrophobicContact CG1-CE2 4.34Å; V969-F971 HydrophobicContact CG1-CZ 3.9Å; V969-F971 WeakPolarHBondContact O-CD2 3.48Å; V969-F971 WeakPolarHBondContact O-CE2 3.44Å; F971-L1014 CarbonylContact C-O 3.37Å; F971-L1014 WeakPolarHBondContact CA-O 3.42Å; F971-L1014 HydrophobicContact CD1-CB 4.08Å; F971-L1014 HydrophobicContact CD1-CD1 4.36Å; F971-L1014 HydrophobicContact CE1-CB 4.42Å; F971-L1014 HydrophobicContact CE1-CD1 3.86Å; F971-I1016 HydrophobicContact CB-CD1 3.94Å; F971-I1016 HydrophobicContact CD1-CD1 4.44Å; F971-I1016 HydrophobicContact CD1-CG2 4.26Å |
| 972 | I | 95.2 | Very high | 89 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.7 | 176.4 | -60.4 | -178.3 | 0 | 0 | 0 | 109.2 | K816 T865 C974 T1013 L1014 W1015 I1016 | K816-I972 HydrophobicContact CB-CD1 3.76Å; T865-I972 CarbonylContact O-C 3.54Å; T865-I972 WeakPolarHBondContact O-CA 3.3Å; I972-C974 PolarHBondContact O-N 3.4Å; I972-C974 PolarHBondContact O-SG 2.94Å; I972-T1013 HydrophobicContact CD1-CG2 3.55Å; I972-T1013 HydrophobicContact CG1-CG2 3.91Å; I972-L1014 PolarHBondContact N-O 3.45Å; I972-W1015 HydrophobicContact CB-CG 4.39Å; I972-W1015 HydrophobicContact CD1-CZ2 4.16Å; I972-W1015 WeakPolarHBondContact O-CA 3.44Å; I972-I1016 WeakPolarHBondContact O-CG1 3.31Å; I972-I1016 PolarHBondContact O-N 2.76Å |
| 973 | V | 94.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 122.1 | 172 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | T865 Y867 V976 I1016 M1019 V1037 R1038 | T865-V973 HydrophobicContact CG2-CB 4.49Å; T865-V973 PolarHBondContact O-N 3.04Å; Y867-V973 HydrophobicContact CD2-CG2 4.28Å; Y867-V973 HydrophobicContact CE2-CG2 3.37Å; V973-V976 HydrophobicContact CG1-CG1 4.36Å; V973-I1016 HydrophobicContact CG2-CD1 4.18Å; V973-I1016 HydrophobicContact CG2-CG1 4.23Å; V973-M1019 HydrophobicContact CG2-SD 4.22Å; V973-V1037 HydrophobicContact CG2-CG1 4.29Å; V973-R1038 HydrophobicContact CG1-CB 3.95Å |
| 974 | C | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -88 | 176 | -171.9 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | I972 V976 W1015 I1016 D1017 R1038 L1054 | I972-C974 PolarHBondContact O-N 3.4Å; I972-C974 PolarHBondContact O-SG 2.94Å; C974-V976 PolarHBondContact O-N 3.17Å; C974-V976 VanDerWaalsContact O-N 3.17Å; C974-W1015 WeakPolarHBondContact SG-CB 3.27Å; C974-W1015 VanDerWaalsContact SG-CD1 3.59Å; C974-I1016 PolarHBondContact N-O 3.22Å; C974-I1016 VanDerWaalsContact N-O 3.11Å; C974-D1017 HydrophobicContact CB-CB 4.11Å; C974-R1038 WeakPolarHBondContact O-CD 3.43Å; C974-L1054 HydrophobicContact CB-CD2 3.99Å; C974-L1054 HydrophobicContact CB-CG 4.28Å | ||
| 975 | R | 92.1 | Very high | 89.9 | Confident | 95 Ų | 95 | 27.9 Ų | 27.9 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 53.7 | 33.7 | 174.3 | -61.6 | -168.3 | -63 | -162.3 | -10.9 | 115.1 | D1017 R1038 N1050 H1053 L1054 | R975-D1017 WeakPolarHBondContact CD-OD2 3.42Å; R975-D1017 WeakPolarHBondContact CG-OD2 3.43Å; R975-D1017 IonicContact CZ-OD1 2.82Å; R975-D1017 IonicContact CZ-OD2 3.46Å; R975-D1017 IonicContact NE-OD1 3.02Å; R975-D1017 IonicContact NE-OD2 3.7Å; R975-D1017 PolarHBondContact NE-OD2 3.28Å; R975-D1017 IonicContact NH2-OD1 2.78Å; R975-D1017 PolarHBondContact NH2-OD1 3.41Å; R975-D1017 IonicContact NH2-OD2 3.68Å; R975-D1017 PolarHBondContact NH2-OD2 2.86Å; R975-R1038 PolarHBondContact O-NE 2.98Å; R975-R1038 PolarHBondContact O-NH2 3.45Å; R975-N1050 WeakPolarHBondContact CA-O 3.17Å; R975-N1050 PolarHBondContact O-N 2.85Å; R975-H1053 PolarHBondContact N-ND1 3.42Å; R975-L1054 HydrophobicContact CG-CD1 4.02Å; R975-L1054 HydrophobicContact CG-CG 4.43Å |
| 976 | V | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142.6 | 175.8 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | T865 V973 C974 W985 R1038 I1041 L1042 I1048 | T865-V976 HydrophobicContact CG2-CG1 3.44Å; T865-V976 VanDerWaalsContact CG2-CG1 3.44Å; V973-V976 HydrophobicContact CG1-CG1 4.36Å; C974-V976 PolarHBondContact O-N 3.17Å; C974-V976 VanDerWaalsContact O-N 3.17Å; V976-W985 HydrophobicContact CG1-CZ2 4.5Å; V976-W985 HydrophobicContact CG2-CH2 3.83Å; V976-W985 HydrophobicContact CG2-CZ2 4.17Å; V976-R1038 HydrophobicContact CB-CG 4.21Å; V976-R1038 HydrophobicContact CG1-CG 4.38Å; V976-I1041 HydrophobicContact CG1-CD1 4.28Å; V976-I1041 HydrophobicContact CG2-CB 4.39Å; V976-I1041 HydrophobicContact CG2-CG2 3.71Å; V976-L1042 HydrophobicContact CG2-CD2 3.81Å; V976-L1042 HydrophobicContact CG2-CG 4.27Å; V976-I1048 WeakPolarHBondContact CA-O 3.44Å |
| 977 | K | 93.7 | Very high | 90.8 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.1 | 176.5 | 66.7 | -176.4 | 172.3 | -166 | 0 | 110.8 | F818 F820 W985 G1047 I1048 N1050 | F818-K977 HydrophobicContact CD1-CB 3.6Å; F818-K977 HydrophobicContact CE1-CB 3.98Å; F818-K977 HydrophobicContact CG-CB 4.31Å; F820-K977 HydrophobicContact CE1-CD 4.38Å; K977-W985 VanDerWaalsContact O-CH2 3.32Å; K977-W985 WeakPolarHBondContact O-CH2 3.31Å; K977-G1047 CarbonylContact O-C 3.52Å; K977-G1047 WeakPolarHBondContact O-CA 3.44Å; K977-I1048 HydrophobicContact CD-CG1 4.47Å; K977-I1048 HydrophobicContact CG-CD1 4.22Å; K977-I1048 HydrophobicContact CG-CG1 3.7Å; K977-I1048 PolarHBondContact N-O 3.12Å; K977-I1048 PolarHBondContact O-N 2.8Å; K977-N1050 HydrophobicContact CB-CB 4.2Å; K977-N1050 HydrophobicContact CD-CB 3.98Å; K977-N1050 HydrophobicContact CG-CB 3.96Å; K977-N1050 PolarHBondContact NZ-OD1 3.45Å |
| 978 | P | 94.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 147.4 | 173 | -23.4 | 32.3 | 0 | 0 | 0 | 111.8 | F818 E982 W985 | F818-P978 HydrophobicContact CE1-CG 4.37Å; F818-P978 VanDerWaalsContact CZ-CD 3.47Å; F818-P978 HydrophobicContact CZ-CG 4.01Å; P978-E982 HydrophobicContact CB-CB 3.77Å; P978-E982 WeakPolarHBondContact CB-O 3.28Å; P978-W985 HydrophobicContact CB-CE3 4.32Å; P978-W985 HydrophobicContact CB-CZ3 4.39Å; P978-W985 HydrophobicContact CG-CD2 3.79Å; P978-W985 HydrophobicContact CG-CE3 4.05Å; P978-W985 HydrophobicContact CG-CG 4.22Å; P978-W985 HydrophobicContact CG-CH2 4.4Å; P978-W985 HydrophobicContact CG-CZ2 4.19Å; P978-W985 HydrophobicContact CG-CZ3 4.34Å |
| 979 | A | 91.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -71.4 | 172.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L499 S981 E982 M1046 I1048 | L499-A979 HydrophobicContact CD1-CB 3.78Å; L499-A979 HydrophobicContact CD2-CB 4.33Å; L499-A979 HydrophobicContact CG-CB 3.97Å; A979-S981 PolarHBondContact O-N 2.82Å; A979-S981 VanDerWaalsContact O-N 3.13Å; A979-E982 WeakPolarHBondContact O-CB 3.37Å; A979-E982 PolarHBondContact O-N 2.82Å; A979-E982 VanDerWaalsContact O-N 3.13Å; A979-M1046 PolarHBondContact N-O 3.41Å; A979-I1048 HydrophobicContact CB-CG2 4.14Å |
| 980 | D | 90.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.2 | 169.1 | -59.3 | -25.3 | 0 | 0 | 0 | 115.5 | H521 R525 E982 | H521-D980 HydrophobicContact CB-CB 3.87Å; H521-D980 VanDerWaalsContact CB-CG 3.42Å; H521-D980 WeakPolarHBondContact CB-OD2 3.49Å; H521-D980 IonicContact CD2-OD1 3.7Å; H521-D980 IonicContact CG-OD1 3.93Å; H521-D980 IonicContact CG-OD2 4Å; R525-D980 IonicContact CZ-OD2 2.95Å; R525-D980 IonicContact NH2-OD2 3.71Å; R525-D980 PolarHBondContact NH2-OD2 3.12Å; D980-E982 PolarHBondContact O-N 2.69Å; D980-E982 VanDerWaalsContact O-N 3.13Å |
| 981 | S | 83.9 | Confident | 91.6 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.4 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | K822 A979 | K822-S981 WeakPolarHBondContact CE-O 3.18Å; K822-S981 PolarHBondContact NZ-O 3.23Å; A979-S981 PolarHBondContact O-N 2.82Å; A979-S981 VanDerWaalsContact O-N 3.13Å |
| 982 | E | 88.4 | Confident | 91.7 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 19% | 0.192 | 20% | 0.2 | C | C | . | . | trans | -65.6 | 142.4 | 172.1 | -70.8 | -80.4 | -166.6 | 0 | 0 | 110.3 | G469 W470 P978 A979 D980 | G469-E982 VanDerWaalsContact CA-OE1 3.32Å; G469-E982 WeakPolarHBondContact CA-OE1 3.46Å; W470-E982 PolarHBondContact N-OE1 2.9Å; P978-E982 HydrophobicContact CB-CB 3.77Å; P978-E982 WeakPolarHBondContact CB-O 3.28Å; A979-E982 WeakPolarHBondContact O-CB 3.37Å; A979-E982 PolarHBondContact O-N 2.82Å; A979-E982 VanDerWaalsContact O-N 3.13Å; D980-E982 PolarHBondContact O-N 2.69Å; D980-E982 VanDerWaalsContact O-N 3.13Å | ||
| 983 | I | 82.6 | Confident | 91.7 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -93.4 | -14.5 | 177.5 | 43.6 | 170 | 0 | 0 | 0 | 113.2 | Y814 F818 K822 | Y814-I983 HydrophobicContact CD1-CB 4.33Å; Y814-I983 HydrophobicContact CE1-CB 3.85Å; Y814-I983 HydrophobicContact CE1-CD1 4.46Å; Y814-I983 HydrophobicContact CE1-CG2 4.49Å; F818-I983 WeakPolarHBondContact CE2-O 3.34Å; K822-I983 HydrophobicContact CD-CG2 3.43Å; K822-I983 VanDerWaalsContact CD-CG2 3.43Å; K822-I983 HydrophobicContact CG-CG2 3.86Å |
| 984 | E | 87.4 | Confident | 91.7 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -134.5 | 138.5 | -172 | -69.1 | 175.7 | 130.3 | 0 | 0 | 110.6 | W470 K471 N986 | W470-E984 HydrophobicContact CZ2-CB 4.46Å; W470-E984 PolarHBondContact NE1-O 3.02Å; K471-E984 WeakPolarHBondContact CD-OE2 3.45Å; K471-E984 VanDerWaalsContact CE-CD 3.43Å; K471-E984 WeakPolarHBondContact CE-OE2 3.11Å; K471-E984 IonicContact NZ-OE1 3.28Å; K471-E984 PolarHBondContact NZ-OE1 3.17Å; K471-E984 IonicContact NZ-OE2 3.45Å; K471-E984 PolarHBondContact NZ-OE2 2.74Å; E984-N986 PolarHBondContact O-N 3.38Å |
| 985 | W | 92.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.038 | 25% | 0.245 | C | C | . | . | trans | -65.5 | 129.7 | -179 | -73.7 | 110.4 | 0 | 0 | 0 | 111.8 | W470 N863 A864 T865 V976 K977 P978 V989 I1041 | W470-W985 VanDerWaalsContact CZ2-O 3.24Å; W470-W985 WeakPolarHBondContact CZ2-O 3.07Å; N863-W985 HydrophobicContact CB-CB 4.44Å; A864-W985 HydrophobicContact CB-CB 3.95Å; A864-W985 HydrophobicContact CB-CD2 3.52Å; A864-W985 HydrophobicContact CB-CE3 3.93Å; A864-W985 HydrophobicContact CB-CG 3.51Å; T865-W985 HydrophobicContact CG2-CZ2 3.56Å; T865-W985 PolarHBondContact OG1-NE1 3.19Å; T865-W985 VanDerWaalsContact OG1-NE1 3.1Å; V976-W985 HydrophobicContact CG1-CZ2 4.5Å; V976-W985 HydrophobicContact CG2-CH2 3.83Å; V976-W985 HydrophobicContact CG2-CZ2 4.17Å; K977-W985 VanDerWaalsContact O-CH2 3.32Å; K977-W985 WeakPolarHBondContact O-CH2 3.31Å; P978-W985 HydrophobicContact CB-CE3 4.32Å; P978-W985 HydrophobicContact CB-CZ3 4.39Å; P978-W985 HydrophobicContact CG-CD2 3.79Å; P978-W985 HydrophobicContact CG-CE3 4.05Å; P978-W985 HydrophobicContact CG-CG 4.22Å; P978-W985 HydrophobicContact CG-CH2 4.4Å; P978-W985 HydrophobicContact CG-CZ2 4.19Å; P978-W985 HydrophobicContact CG-CZ3 4.34Å; W985-V989 HydrophobicContact CE3-CB 4.48Å; W985-V989 HydrophobicContact CE3-CG1 4.27Å; W985-I1041 HydrophobicContact CH2-CG2 3.48Å; W985-I1041 VanDerWaalsContact CH2-CG2 3.48Å; W985-I1041 HydrophobicContact CZ2-CG2 4.18Å; W985-I1041 HydrophobicContact CZ3-CG2 3.7Å | ||
| 986 | N | 92.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -57.4 | 136.1 | 172.3 | -175 | -62.3 | 0 | 0 | 0 | 110.2 | E984 K988 V989 T990 | E984-N986 PolarHBondContact O-N 3.38Å; N986-K988 PolarHBondContact O-N 2.79Å; N986-K988 VanDerWaalsContact O-N 3.08Å; N986-K988 WeakPolarHBondContact OD1-CB 3.47Å; N986-K988 PolarHBondContact OD1-N 2.84Å; N986-V989 PolarHBondContact O-N 2.82Å; N986-T990 PolarHBondContact O-N 2.81Å | ||
| 987 | P | 90.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 25% | 0.253 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.5 | -26 | -176.2 | -25.1 | 35.7 | 0 | 0 | 0 | 113.5 | W470 V989 T990 R991 | W470-P987 HydrophobicContact CE3-CG 4.06Å; W470-P987 HydrophobicContact CH2-CG 3.31Å; W470-P987 HydrophobicContact CZ2-CG 4.12Å; W470-P987 HydrophobicContact CZ3-CG 3.27Å; P987-V989 VanDerWaalsContact C-N 3.29Å; P987-V989 PolarHBondContact O-N 2.91Å; P987-T990 PolarHBondContact O-N 2.81Å; P987-R991 VanDerWaalsContact O-CB 3.3Å; P987-R991 WeakPolarHBondContact O-CB 3.39Å; P987-R991 VanDerWaalsContact O-CG 3.23Å; P987-R991 WeakPolarHBondContact O-CG 3.25Å; P987-R991 PolarHBondContact O-N 3.13Å |
| 988 | K | 90.9 | Very high | 91.9 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56 | -45.1 | 174 | -173.3 | 179.9 | 177.4 | -179.4 | 0 | 110.9 | E503 N986 Y992 M1044 M1046 | E503-K988 IonicContact OE1-NZ 3.65Å; E503-K988 PolarHBondContact OE1-NZ 2.88Å; N986-K988 PolarHBondContact O-N 2.79Å; N986-K988 VanDerWaalsContact O-N 3.08Å; N986-K988 WeakPolarHBondContact OD1-CB 3.47Å; N986-K988 PolarHBondContact OD1-N 2.84Å; K988-Y992 WeakPolarHBondContact O-CB 3.49Å; K988-Y992 PolarHBondContact O-N 2.72Å; K988-M1044 HydrophobicContact CG-CE 4.01Å; K988-M1046 HydrophobicContact CD-CE 4.4Å |
| 989 | V | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.9 | -49.4 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | A864 W985 N986 P987 R991 Y992 I993 I1041 M1044 M1046 | A864-V989 HydrophobicContact CB-CB 4.27Å; A864-V989 HydrophobicContact CB-CG1 3.62Å; W985-V989 HydrophobicContact CE3-CB 4.48Å; W985-V989 HydrophobicContact CE3-CG1 4.27Å; N986-V989 PolarHBondContact O-N 2.82Å; P987-V989 VanDerWaalsContact C-N 3.29Å; P987-V989 PolarHBondContact O-N 2.91Å; V989-R991 VanDerWaalsContact C-N 3.3Å; V989-R991 PolarHBondContact O-N 2.76Å; V989-Y992 PolarHBondContact O-N 3.37Å; V989-Y992 VanDerWaalsContact O-N 3.16Å; V989-I993 HydrophobicContact CG1-CG1 4.32Å; V989-I993 WeakPolarHBondContact O-CG1 3.31Å; V989-I993 PolarHBondContact O-N 3.17Å; V989-I1041 HydrophobicContact CG1-CG2 4.16Å; V989-M1044 HydrophobicContact CB-SD 4.06Å; V989-M1044 HydrophobicContact CG1-SD 3.81Å; V989-M1044 HydrophobicContact CG2-CB 4.5Å; V989-M1044 HydrophobicContact CG2-CE 4.33Å; V989-M1044 HydrophobicContact CG2-SD 4.18Å; V989-M1046 HydrophobicContact CG2-CB 3.42Å; V989-M1046 VanDerWaalsContact CG2-CB 3.42Å; V989-M1046 HydrophobicContact CG2-CG 3.97Å |
| 990 | T | 93.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 180 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | A864 N986 P987 H994 | A864-T990 PolarHBondContact N-OG1 3.2Å; N986-T990 PolarHBondContact O-N 2.81Å; P987-T990 PolarHBondContact O-N 2.81Å; T990-H994 WeakPolarHBondContact O-CB 3.39Å; T990-H994 PolarHBondContact O-N 3.08Å |
| 991 | R | 94.5 | Very high | 91.6 | Very high | 171 Ų | 171 | 56.7 Ų | 56.7 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.8 | -73.5 | 174.4 | -175.5 | 161.4 | 2.7 | 112.2 | P987 V989 H994 H995 | P987-R991 VanDerWaalsContact O-CB 3.3Å; P987-R991 WeakPolarHBondContact O-CB 3.39Å; P987-R991 VanDerWaalsContact O-CG 3.23Å; P987-R991 WeakPolarHBondContact O-CG 3.25Å; P987-R991 PolarHBondContact O-N 3.13Å; V989-R991 VanDerWaalsContact C-N 3.3Å; V989-R991 PolarHBondContact O-N 2.76Å; R991-H994 PolarHBondContact O-N 3.18Å; R991-H995 PolarHBondContact O-CD2 3.35Å; R991-H995 PolarHBondContact O-N 2.84Å |
| 992 | Y | 95.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 53 Ų | 53 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 178.2 | 177.7 | -99.3 | 0 | 0 | 0 | 111.4 | K988 V989 H994 H995 K996 E1040 M1044 | K988-Y992 WeakPolarHBondContact O-CB 3.49Å; K988-Y992 PolarHBondContact O-N 2.72Å; V989-Y992 PolarHBondContact O-N 3.37Å; V989-Y992 VanDerWaalsContact O-N 3.16Å; Y992-H994 PolarHBondContact O-N 3.41Å; Y992-H995 PolarHBondContact O-N 3.1Å; Y992-K996 HydrophobicContact CE1-CD 3.87Å; Y992-K996 WeakPolarHBondContact O-CB 3.24Å; Y992-K996 PolarHBondContact O-N 2.85Å; Y992-K996 PolarHBondContact OH-NZ 2.76Å; Y992-E1040 HydrophobicContact CE1-CB 4.29Å; Y992-E1040 PolarHBondContact OH-OE2 2.87Å; Y992-M1044 VanDerWaalsContact CB-SD 3.52Å; Y992-M1044 HydrophobicContact CD1-CE 4.37Å; Y992-M1044 HydrophobicContact CD1-CG 4.16Å; Y992-M1044 HydrophobicContact CD1-SD 3.37Å; Y992-M1044 WeakPolarHBondContact CD1-SD 3.46Å; Y992-M1044 HydrophobicContact CE1-SD 4.25Å; Y992-M1044 HydrophobicContact CG-CE 3.96Å; Y992-M1044 HydrophobicContact CG-SD 3.56Å; Y992-M1044 VanDerWaalsContact CG-SD 3.56Å |
| 993 | I | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.2 | -62.8 | -59.8 | 0 | 0 | 0 | 110.7 | Y867 V989 H995 K996 I997 V1037 E1040 I1041 | Y867-I993 HydrophobicContact CE1-CG2 4.11Å; V989-I993 HydrophobicContact CG1-CG1 4.32Å; V989-I993 WeakPolarHBondContact O-CG1 3.31Å; V989-I993 PolarHBondContact O-N 3.17Å; I993-H995 PolarHBondContact O-N 3.42Å; I993-K996 PolarHBondContact O-N 2.65Å; I993-I997 HydrophobicContact CG2-CD1 3.65Å; I993-I997 HydrophobicContact CG2-CG1 4.17Å; I993-I997 HydrophobicContact CG2-CG2 4.28Å; I993-I997 WeakPolarHBondContact O-CG1 3.49Å; I993-I997 PolarHBondContact O-N 3.42Å; I993-V1037 HydrophobicContact CD1-CG1 4.49Å; I993-V1037 HydrophobicContact CG2-CG1 4.21Å; I993-E1040 HydrophobicContact CD1-CB 3.95Å; I993-I1041 HydrophobicContact CD1-CG1 3.7Å; I993-I1041 HydrophobicContact CG1-CG1 3.83Å |
| 994 | H | 94.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.5 | -55 | 175.4 | 174.5 | -74.4 | 0 | 0 | 0 | 111.8 | I861 T990 R991 Y992 K996 I997 V998 | I861-H994 HydrophobicContact CB-CB 4.24Å; I861-H994 HydrophobicContact CG1-CB 4.33Å; I861-H994 HydrophobicContact CG2-CB 4.28Å; T990-H994 WeakPolarHBondContact O-CB 3.39Å; T990-H994 PolarHBondContact O-N 3.08Å; R991-H994 PolarHBondContact O-N 3.18Å; Y992-H994 PolarHBondContact O-N 3.41Å; H994-K996 PolarHBondContact O-N 3.48Å; H994-I997 PolarHBondContact O-N 2.92Å; H994-V998 VanDerWaalsContact O-CB 3.25Å; H994-V998 WeakPolarHBondContact O-CB 3.47Å; H994-V998 WeakPolarHBondContact O-CG1 3.49Å; H994-V998 PolarHBondContact O-N 3.34Å; H994-V998 VanDerWaalsContact O-N 3.1Å |
| 995 | H | 94.6 | Very high | 92.9 | Very high | 138 Ų | 138 | 49.2 Ų | 49.2 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.3 | -27.3 | 178.9 | -72 | -62.3 | 0 | 0 | 0 | 113.4 | R991 Y992 I993 | R991-H995 PolarHBondContact O-CD2 3.35Å; R991-H995 PolarHBondContact O-N 2.84Å; Y992-H995 PolarHBondContact O-N 3.1Å; I993-H995 PolarHBondContact O-N 3.42Å |
| 996 | K | 94.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.9 | -42.7 | -178.5 | -165.3 | 152.7 | -179.2 | 161.2 | 0 | 112.2 | Y992 I993 H994 K1000 Y1035 E1040 | Y992-K996 HydrophobicContact CE1-CD 3.87Å; Y992-K996 WeakPolarHBondContact O-CB 3.24Å; Y992-K996 PolarHBondContact O-N 2.85Å; Y992-K996 PolarHBondContact OH-NZ 2.76Å; I993-K996 PolarHBondContact O-N 2.65Å; H994-K996 PolarHBondContact O-N 3.48Å; K996-K1000 WeakPolarHBondContact O-CD 3.27Å; K996-K1000 WeakPolarHBondContact O-CE 2.92Å; K996-K1000 PolarHBondContact O-NZ 3.35Å; K996-Y1035 HydrophobicContact CD-CD2 4.41Å; K996-Y1035 HydrophobicContact CD-CE2 4.46Å; K996-Y1035 VanDerWaalsContact CE-CG 3.45Å; K996-Y1035 HydrophobicContact CG-CD2 4.32Å; K996-Y1035 HydrophobicContact CG-CE1 4.28Å; K996-Y1035 HydrophobicContact CG-CE2 3.89Å; K996-Y1035 PolarHBondContact O-OH 3.03Å; K996-Y1035 VanDerWaalsContact O-OH 3.11Å; K996-E1040 HydrophobicContact CD-CG 4.23Å; K996-E1040 IonicContact NZ-OE1 3.43Å; K996-E1040 PolarHBondContact NZ-OE1 3.22Å; K996-E1040 IonicContact NZ-OE2 2.68Å; K996-E1040 PolarHBondContact NZ-OE2 2.83Å |
| 997 | I | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -108.2 | -23.3 | -166.9 | 76.4 | 178.5 | 0 | 0 | 0 | 115.5 | P858 I861 Y867 I993 H994 G999 K1000 H1002 Y1035 V1037 | P858-I997 HydrophobicContact CB-CD1 4.43Å; P858-I997 HydrophobicContact CB-CG1 4.43Å; P858-I997 HydrophobicContact CG-CD1 4.36Å; P858-I997 HydrophobicContact CG-CG1 4.45Å; I861-I997 HydrophobicContact CD1-CD1 3.63Å; I861-I997 HydrophobicContact CD1-CG1 3.77Å; I861-I997 HydrophobicContact CG1-CD1 4.29Å; I861-I997 HydrophobicContact CG1-CG1 4.16Å; Y867-I997 HydrophobicContact CD1-CD1 4.03Å; Y867-I997 HydrophobicContact CD2-CD1 3.73Å; Y867-I997 HydrophobicContact CE1-CD1 3.84Å; Y867-I997 HydrophobicContact CE2-CD1 3.47Å; Y867-I997 VanDerWaalsContact CE2-CD1 3.47Å; Y867-I997 HydrophobicContact CG-CD1 4.02Å; I993-I997 HydrophobicContact CG2-CD1 3.65Å; I993-I997 HydrophobicContact CG2-CG1 4.17Å; I993-I997 HydrophobicContact CG2-CG2 4.28Å; I993-I997 WeakPolarHBondContact O-CG1 3.49Å; I993-I997 PolarHBondContact O-N 3.42Å; H994-I997 PolarHBondContact O-N 2.92Å; I997-G999 PolarHBondContact O-N 3.31Å; I997-K1000 PolarHBondContact O-N 3.32Å; I997-H1002 PolarHBondContact O-CE1 3.18Å; I997-Y1035 HydrophobicContact CG2-CE2 4.14Å; I997-V1037 HydrophobicContact CG2-CG1 4.45Å; I997-V1037 HydrophobicContact CG2-CG2 3.88Å |
| 998 | V | 94 | Very high | 92.6 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.1 | -173 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | H994 K1000 | H994-V998 VanDerWaalsContact O-CB 3.25Å; H994-V998 WeakPolarHBondContact O-CB 3.47Å; H994-V998 WeakPolarHBondContact O-CG1 3.49Å; H994-V998 PolarHBondContact O-N 3.34Å; H994-V998 VanDerWaalsContact O-N 3.1Å; V998-K1000 PolarHBondContact O-N 3.5Å; V998-K1000 VanDerWaalsContact O-N 3.15Å |
| 999 | G | 88.6 | Confident | 92.4 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | P858 I997 | P858-G999 PolarHBondContact O-N 3.3Å; I997-G999 PolarHBondContact O-N 3.31Å |
| 1000 | K | 91.4 | Very high | 92 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | trans | -99.5 | 146.4 | 178.8 | -61.8 | -177.9 | -167.5 | 164.5 | 0 | 111.3 | P858 K996 I997 V998 H1002 | P858-K1000 WeakPolarHBondContact CD-O 2.99Å; K996-K1000 WeakPolarHBondContact O-CD 3.27Å; K996-K1000 WeakPolarHBondContact O-CE 2.92Å; K996-K1000 PolarHBondContact O-NZ 3.35Å; I997-K1000 PolarHBondContact O-N 3.32Å; V998-K1000 PolarHBondContact O-N 3.5Å; V998-K1000 VanDerWaalsContact O-N 3.15Å; K1000-H1002 PolarHBondContact O-CE1 2.66Å; K1000-H1002 PolarHBondContact O-ND1 2.83Å | ||
| 1001 | M | 90.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 42 Ų | 42 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | trans | -73.6 | 132.2 | 175.4 | -162.3 | 179.5 | 98.1 | 0 | 0 | 110.7 | R855 I857 H1021 | R855-M1001 HydrophobicContact CG-CE 4.34Å; I857-M1001 HydrophobicContact CG1-CB 4.4Å; I857-M1001 HydrophobicContact CG1-CG 4.39Å; M1001-H1021 PolarHBondContact O-CE1 2.89Å; M1001-H1021 PolarHBondContact O-ND1 2.85Å | ||
| 1002 | H | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.6 | 176.4 | -63.7 | 75.9 | 0 | 0 | 0 | 110.1 | R855 V856 I997 K1000 M1019 V1020 Y1035 | R855-H1002 CarbonylContact C-O 3.56Å; R855-H1002 WeakPolarHBondContact CA-O 3.44Å; V856-H1002 HydrophobicContact CG2-CB 3.96Å; V856-H1002 PolarHBondContact N-O 3.5Å; V856-H1002 PolarHBondContact O-N 2.96Å; I997-H1002 PolarHBondContact O-CE1 3.18Å; K1000-H1002 PolarHBondContact O-CE1 2.66Å; K1000-H1002 PolarHBondContact O-ND1 2.83Å; H1002-M1019 HydrophobicContact CB-CE 3.66Å; H1002-M1019 HydrophobicContact CB-CG 4.13Å; H1002-V1020 CarbonylContact C-O 3.58Å; H1002-V1020 VanDerWaalsContact CA-O 3.3Å; H1002-V1020 WeakPolarHBondContact CA-O 3.42Å; H1002-V1020 WeakPolarHBondContact CB-O 3.31Å; H1002-Y1035 AromaticContact NE2-CE2 3.61Å; H1002-Y1035 AromaticContact NE2-CZ 3.79Å; H1002-Y1035 PolarHBondContact NE2-OH 3.03Å |
| 1003 | D | 92 | Very high | 90.8 | Very high | 50 Ų | 50 | 31.2 Ų | 31.2 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.5 | 168.9 | -67.5 | -4.3 | 0 | 0 | 0 | 107.6 | R855 V1020 V1022 | R855-D1003 WeakPolarHBondContact CG-OD1 3.17Å; D1003-V1020 HydrophobicContact CB-CG2 4.13Å; D1003-V1020 PolarHBondContact N-O 3Å; D1003-V1020 WeakPolarHBondContact O-CG2 3.18Å; D1003-V1020 PolarHBondContact O-N 2.87Å; D1003-V1022 HydrophobicContact CB-CG2 4.27Å |
| 1004 | A | 92.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H853 I854 V856 I1016 P1018 M1019 | H853-A1004 WeakPolarHBondContact CA-O 3.35Å; I854-A1004 HydrophobicContact CG1-CB 4.1Å; I854-A1004 WeakPolarHBondContact CG1-O 3.41Å; I854-A1004 PolarHBondContact N-O 2.89Å; I854-A1004 PolarHBondContact O-N 2.69Å; V856-A1004 HydrophobicContact CG2-CB 4.29Å; A1004-I1016 HydrophobicContact CB-CB 4.23Å; A1004-I1016 HydrophobicContact CB-CD1 4.26Å; A1004-I1016 HydrophobicContact CB-CG2 4.14Å; A1004-P1018 WeakPolarHBondContact CA-O 3.37Å; A1004-M1019 HydrophobicContact CB-CB 4.32Å; A1004-M1019 HydrophobicContact CB-CG 4.21Å |
| 1005 | K | 91.8 | Very high | 90.6 | Very high | 24 Ų | 24 | 27.9 Ų | 27.9 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.4 | 170.9 | 179.1 | -176.1 | 171.1 | -169.3 | 0 | 109.4 | F139 G852 I1016 D1017 P1018 | F139-K1005 WeakPolarHBondContact O-CE 3.15Å; F139-K1005 PolarHBondContact O-NZ 3.32Å; G852-K1005 CarbonylContact O-C 3.57Å; G852-K1005 WeakPolarHBondContact O-CA 3.27Å; K1005-I1016 CarbonylContact O-C 3.59Å; K1005-I1016 VanDerWaalsContact O-CA 3.25Å; K1005-I1016 WeakPolarHBondContact O-CA 3.39Å; K1005-D1017 WeakPolarHBondContact CB-O 3.46Å; K1005-D1017 PolarHBondContact O-N 3.2Å; K1005-P1018 PolarHBondContact N-O 3.19Å |
| 1006 | V | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.3 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 109 | F851 G852 I854 L1014 I1016 | F851-V1006 VanDerWaalsContact CD2-O 3.26Å; F851-V1006 WeakPolarHBondContact CD2-O 3.22Å; G852-V1006 PolarHBondContact N-O 3.18Å; G852-V1006 PolarHBondContact O-N 2.53Å; I854-V1006 HydrophobicContact CD1-CG2 3.53Å; I854-V1006 HydrophobicContact CG1-CG2 3.87Å; I854-V1006 HydrophobicContact CG2-CG2 4.12Å; V1006-L1014 HydrophobicContact CG1-CB 4.49Å; V1006-L1014 HydrophobicContact CG1-CD2 4.18Å; V1006-L1014 HydrophobicContact CG2-CD1 4.24Å; V1006-I1016 HydrophobicContact CG2-CG2 4.39Å |
| 1007 | V | 89.9 | Confident | 90.5 | Very high | 21 Ų | 21 | 20 Ų | 20 | 13% | 0.127 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -30.8 | 178.4 | -177 | 0 | 0 | 0 | 0 | 111.6 | W1015 D1017 L1054 | V1007-W1015 PolarHBondContact N-O 2.81Å; V1007-D1017 HydrophobicContact CG2-CB 3.84Å; V1007-L1054 HydrophobicContact CB-CD2 4.43Å; V1007-L1054 HydrophobicContact CG1-CD1 4.12Å; V1007-L1054 HydrophobicContact CG1-CD2 3.94Å |
| 1008 | L | 87.6 | Confident | 90.3 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 145.7 | 178.1 | 172.1 | 69.5 | 0 | 0 | 0 | 109.6 | L1010 W1015 L1057 Y1061 F1069 | L1008-L1010 HydrophobicContact CD1-CG 4.46Å; L1008-L1010 HydrophobicContact CD2-CD1 4.37Å; L1008-W1015 HydrophobicContact CB-CB 3.97Å; L1008-W1015 HydrophobicContact CB-CD2 4.47Å; L1008-W1015 HydrophobicContact CB-CE3 4.19Å; L1008-W1015 HydrophobicContact CB-CG 4.43Å; L1008-W1015 HydrophobicContact CD2-CD2 4.04Å; L1008-W1015 HydrophobicContact CD2-CE3 3.89Å; L1008-W1015 HydrophobicContact CD2-CG 4.47Å; L1008-W1015 HydrophobicContact CD2-CZ3 4.28Å; L1008-W1015 HydrophobicContact CG-CD2 4.31Å; L1008-W1015 HydrophobicContact CG-CE3 3.8Å; L1008-W1015 HydrophobicContact CG-CZ3 4.3Å; L1008-W1015 PolarHBondContact N-O 3.31Å; L1008-W1015 PolarHBondContact O-N 3.31Å; L1008-L1057 HydrophobicContact CD2-CB 3.74Å; L1008-L1057 HydrophobicContact CD2-CD1 4.12Å; L1008-L1057 HydrophobicContact CD2-CG 4.43Å; L1008-Y1061 HydrophobicContact CD1-CD2 3.82Å; L1008-Y1061 HydrophobicContact CD1-CE2 4.22Å; L1008-F1069 HydrophobicContact CD1-CE1 4.11Å; L1008-F1069 HydrophobicContact CD1-CE2 4.38Å; L1008-F1069 HydrophobicContact CD1-CZ 3.42Å; L1008-F1069 VanDerWaalsContact CD1-CZ 3.42Å |
| 1009 | A | 87.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P840 T1013 L1014 | P840-A1009 HydrophobicContact CG-CB 4.37Å; A1009-T1013 WeakPolarHBondContact CA-O 3.3Å; A1009-L1014 HydrophobicContact CB-CD2 3.4Å |
| 1010 | L | 85.3 | Confident | 90.6 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.8 | 171.5 | -65.7 | 169.1 | 0 | 0 | 0 | 109.2 | I833 D838 L1008 N1012 T1013 W1015 Y1061 L1066 | I833-L1010 HydrophobicContact CD1-CD1 3.67Å; I833-L1010 HydrophobicContact CD1-CD2 4.3Å; I833-L1010 HydrophobicContact CG1-CD1 4.24Å; I833-L1010 HydrophobicContact CG2-CD2 4.37Å; D838-L1010 HydrophobicContact CB-CD2 4.39Å; L1008-L1010 HydrophobicContact CD1-CG 4.46Å; L1008-L1010 HydrophobicContact CD2-CD1 4.37Å; L1010-N1012 PolarHBondContact O-N 3.14Å; L1010-T1013 PolarHBondContact N-O 3.34Å; L1010-T1013 WeakPolarHBondContact O-CB 3.33Å; L1010-T1013 PolarHBondContact O-N 2.77Å; L1010-W1015 HydrophobicContact CB-CH2 4.06Å; L1010-W1015 HydrophobicContact CB-CZ3 3.71Å; L1010-W1015 HydrophobicContact CD1-CH2 3.87Å; L1010-W1015 HydrophobicContact CD1-CZ3 3.97Å; L1010-W1015 HydrophobicContact CG-CH2 4.33Å; L1010-W1015 HydrophobicContact CG-CZ3 3.96Å; L1010-Y1061 HydrophobicContact CD2-CD2 3.85Å; L1010-Y1061 HydrophobicContact CD2-CE2 3.9Å; L1010-L1066 HydrophobicContact CD2-CD1 4.14Å |
| 1011 | G | 83 | Confident | 90.6 | Very high | 9 Ų | 9 | 16 Ų | 16 | 9% | 0.093 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -109.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D838 P840 R841 L848 | D838-G1011 PolarHBondContact O-N 3.11Å; P840-G1011 WeakPolarHBondContact CA-O 3.37Å; R841-G1011 PolarHBondContact N-O 2.99Å; L848-G1011 WeakPolarHBondContact CD1-O 3.48Å |
| 1012 | N | 85.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 13.8 Ų | 13.8 | 13% | 0.134 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 11.9 | 177.4 | -164.5 | 66.5 | 0 | 0 | 0 | 113 | A968 E970 L1010 | A968-N1012 PolarHBondContact O-ND2 3.41Å; E970-N1012 PolarHBondContact N-O 3.28Å; L1010-N1012 PolarHBondContact O-N 3.14Å |
| 1013 | T | 90.1 | Very high | 90.1 | Very high | 12 Ų | 12 | 16.4 Ų | 16.4 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.1 | -176.6 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | K816 E970 I972 A1009 L1010 W1015 | K816-T1013 WeakPolarHBondContact CE-OG1 3.31Å; K816-T1013 PolarHBondContact NZ-OG1 2.84Å; K816-T1013 VanDerWaalsContact NZ-OG1 3.12Å; E970-T1013 HydrophobicContact CB-CG2 4.44Å; E970-T1013 HydrophobicContact CG-CG2 4.24Å; E970-T1013 CarbonylContact O-C 3.49Å; E970-T1013 WeakPolarHBondContact O-CA 3.35Å; E970-T1013 PolarHBondContact OE2-OG1 3.45Å; I972-T1013 HydrophobicContact CD1-CG2 3.55Å; I972-T1013 HydrophobicContact CG1-CG2 3.91Å; A1009-T1013 WeakPolarHBondContact CA-O 3.3Å; L1010-T1013 PolarHBondContact N-O 3.34Å; L1010-T1013 WeakPolarHBondContact O-CB 3.33Å; L1010-T1013 PolarHBondContact O-N 2.77Å; T1013-W1015 HydrophobicContact CG2-CD2 4.31Å; T1013-W1015 HydrophobicContact CG2-CE3 4.02Å; T1013-W1015 HydrophobicContact CG2-CH2 3.66Å; T1013-W1015 HydrophobicContact CG2-CZ2 3.96Å; T1013-W1015 HydrophobicContact CG2-CZ3 3.67Å; T1013-W1015 WeakPolarHBondContact O-CZ3 3.19Å |
| 1014 | L | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.5 | 174.2 | -60 | -175.4 | 0 | 0 | 0 | 109.8 | I854 I871 V969 E970 F971 I972 V1006 A1009 I1016 | I854-L1014 HydrophobicContact CD1-CD1 4Å; I871-L1014 HydrophobicContact CD1-CD1 3.73Å; V969-L1014 HydrophobicContact CG1-CD1 3.76Å; V969-L1014 HydrophobicContact CG1-CG 3.79Å; E970-L1014 PolarHBondContact O-N 2.74Å; F971-L1014 CarbonylContact C-O 3.37Å; F971-L1014 WeakPolarHBondContact CA-O 3.42Å; F971-L1014 HydrophobicContact CD1-CB 4.08Å; F971-L1014 HydrophobicContact CD1-CD1 4.36Å; F971-L1014 HydrophobicContact CE1-CB 4.42Å; F971-L1014 HydrophobicContact CE1-CD1 3.86Å; I972-L1014 PolarHBondContact N-O 3.45Å; V1006-L1014 HydrophobicContact CG1-CB 4.49Å; V1006-L1014 HydrophobicContact CG1-CD2 4.18Å; V1006-L1014 HydrophobicContact CG2-CD1 4.24Å; A1009-L1014 HydrophobicContact CB-CD2 3.4Å; L1014-I1016 HydrophobicContact CB-CG2 4.5Å |
| 1015 | W | 93.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.5 | 171.9 | -78.3 | -94 | 0 | 0 | 0 | 108.8 | K816 I972 C974 V1007 L1008 L1010 T1013 H1053 L1057 | K816-W1015 HydrophobicContact CB-CZ2 3.98Å; K816-W1015 HydrophobicContact CG-CZ2 4.04Å; K816-W1015 PolarHBondContact O-NE1 2.97Å; I972-W1015 HydrophobicContact CB-CG 4.39Å; I972-W1015 HydrophobicContact CD1-CZ2 4.16Å; I972-W1015 WeakPolarHBondContact O-CA 3.44Å; C974-W1015 WeakPolarHBondContact SG-CB 3.27Å; C974-W1015 VanDerWaalsContact SG-CD1 3.59Å; V1007-W1015 PolarHBondContact N-O 2.81Å; L1008-W1015 HydrophobicContact CB-CB 3.97Å; L1008-W1015 HydrophobicContact CB-CD2 4.47Å; L1008-W1015 HydrophobicContact CB-CE3 4.19Å; L1008-W1015 HydrophobicContact CB-CG 4.43Å; L1008-W1015 HydrophobicContact CD2-CD2 4.04Å; L1008-W1015 HydrophobicContact CD2-CE3 3.89Å; L1008-W1015 HydrophobicContact CD2-CG 4.47Å; L1008-W1015 HydrophobicContact CD2-CZ3 4.28Å; L1008-W1015 HydrophobicContact CG-CD2 4.31Å; L1008-W1015 HydrophobicContact CG-CE3 3.8Å; L1008-W1015 HydrophobicContact CG-CZ3 4.3Å; L1008-W1015 PolarHBondContact N-O 3.31Å; L1008-W1015 PolarHBondContact O-N 3.31Å; L1010-W1015 HydrophobicContact CB-CH2 4.06Å; L1010-W1015 HydrophobicContact CB-CZ3 3.71Å; L1010-W1015 HydrophobicContact CD1-CH2 3.87Å; L1010-W1015 HydrophobicContact CD1-CZ3 3.97Å; L1010-W1015 HydrophobicContact CG-CH2 4.33Å; L1010-W1015 HydrophobicContact CG-CZ3 3.96Å; T1013-W1015 HydrophobicContact CG2-CD2 4.31Å; T1013-W1015 HydrophobicContact CG2-CE3 4.02Å; T1013-W1015 HydrophobicContact CG2-CH2 3.66Å; T1013-W1015 HydrophobicContact CG2-CZ2 3.96Å; T1013-W1015 HydrophobicContact CG2-CZ3 3.67Å; T1013-W1015 WeakPolarHBondContact O-CZ3 3.19Å; W1015-H1053 AromaticContact CD1-NE2 3.95Å; W1015-H1053 AromaticContact NE1-NE2 3.81Å; W1015-L1057 HydrophobicContact CD2-CD1 4.28Å; W1015-L1057 HydrophobicContact CG-CD1 4.16Å; W1015-L1057 HydrophobicContact CZ2-CD1 4.37Å; W1015-L1057 HydrophobicContact CZ2-CD2 4.36Å; W1015-L1057 VanDerWaalsContact NE1-CD1 3.26Å |
| 1016 | I | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.5 | -170.7 | 57.6 | 176.7 | 0 | 0 | 0 | 112.2 | F971 I972 V973 C974 A1004 K1005 V1006 L1014 M1019 | F971-I1016 HydrophobicContact CB-CD1 3.94Å; F971-I1016 HydrophobicContact CD1-CD1 4.44Å; F971-I1016 HydrophobicContact CD1-CG2 4.26Å; I972-I1016 WeakPolarHBondContact O-CG1 3.31Å; I972-I1016 PolarHBondContact O-N 2.76Å; V973-I1016 HydrophobicContact CG2-CD1 4.18Å; V973-I1016 HydrophobicContact CG2-CG1 4.23Å; C974-I1016 PolarHBondContact N-O 3.22Å; C974-I1016 VanDerWaalsContact N-O 3.11Å; A1004-I1016 HydrophobicContact CB-CB 4.23Å; A1004-I1016 HydrophobicContact CB-CD1 4.26Å; A1004-I1016 HydrophobicContact CB-CG2 4.14Å; K1005-I1016 CarbonylContact O-C 3.59Å; K1005-I1016 VanDerWaalsContact O-CA 3.25Å; K1005-I1016 WeakPolarHBondContact O-CA 3.39Å; V1006-I1016 HydrophobicContact CG2-CG2 4.39Å; L1014-I1016 HydrophobicContact CB-CG2 4.5Å; I1016-M1019 HydrophobicContact CD1-CB 3.84Å; I1016-M1019 HydrophobicContact CD1-CG 3.93Å; I1016-M1019 HydrophobicContact CD1-SD 3.43Å; I1016-M1019 WeakPolarHBondContact CD1-SD 3.3Å; I1016-M1019 HydrophobicContact CG1-CB 4.42Å |
| 1017 | D | 91.6 | Very high | 87 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 113.4 | 177 | -158.3 | -17 | 0 | 0 | 0 | 112.6 | C974 R975 K1005 V1007 | C974-D1017 HydrophobicContact CB-CB 4.11Å; R975-D1017 WeakPolarHBondContact CD-OD2 3.42Å; R975-D1017 WeakPolarHBondContact CG-OD2 3.43Å; R975-D1017 IonicContact CZ-OD1 2.82Å; R975-D1017 IonicContact CZ-OD2 3.46Å; R975-D1017 IonicContact NE-OD1 3.02Å; R975-D1017 IonicContact NE-OD2 3.7Å; R975-D1017 PolarHBondContact NE-OD2 3.28Å; R975-D1017 IonicContact NH2-OD1 2.78Å; R975-D1017 PolarHBondContact NH2-OD1 3.41Å; R975-D1017 IonicContact NH2-OD2 3.68Å; R975-D1017 PolarHBondContact NH2-OD2 2.86Å; K1005-D1017 WeakPolarHBondContact CB-O 3.46Å; K1005-D1017 PolarHBondContact O-N 3.2Å; V1007-D1017 HydrophobicContact CG2-CB 3.84Å |
| 1018 | P | 91.5 | Very high | 86 | Confident | 41 Ų | 41 | 40 Ų | 40 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | cis | -82.7 | 165 | -3.7 | 34 | -35.8 | 0 | 0 | 0 | 113.1 | A1004 K1005 V1020 N1036 | A1004-P1018 WeakPolarHBondContact CA-O 3.37Å; K1005-P1018 PolarHBondContact N-O 3.19Å; P1018-V1020 HydrophobicContact CB-CG1 4.3Å; P1018-N1036 WeakPolarHBondContact CB-ND2 3.2Å |
| 1019 | M | 93.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.6 | 164.6 | -176.6 | -177.3 | 177.5 | 0 | 0 | 108.8 | V856 P858 Y867 V973 H1002 A1004 I1016 V1037 | V856-M1019 HydrophobicContact CG2-CE 3.87Å; P858-M1019 HydrophobicContact CG-CE 3.52Å; Y867-M1019 HydrophobicContact CD2-CE 4.4Å; Y867-M1019 HydrophobicContact CD2-SD 4.12Å; Y867-M1019 HydrophobicContact CE2-CE 4.49Å; Y867-M1019 HydrophobicContact CE2-SD 3.86Å; V973-M1019 HydrophobicContact CG2-SD 4.22Å; H1002-M1019 HydrophobicContact CB-CE 3.66Å; H1002-M1019 HydrophobicContact CB-CG 4.13Å; A1004-M1019 HydrophobicContact CB-CB 4.32Å; A1004-M1019 HydrophobicContact CB-CG 4.21Å; I1016-M1019 HydrophobicContact CD1-CB 3.84Å; I1016-M1019 HydrophobicContact CD1-CG 3.93Å; I1016-M1019 HydrophobicContact CD1-SD 3.43Å; I1016-M1019 WeakPolarHBondContact CD1-SD 3.3Å; I1016-M1019 HydrophobicContact CG1-CB 4.42Å; M1019-V1037 HydrophobicContact CB-CB 4.44Å; M1019-V1037 HydrophobicContact CB-CG2 4.28Å; M1019-V1037 HydrophobicContact CE-CG2 4.48Å; M1019-V1037 HydrophobicContact CG-CG2 3.96Å; M1019-V1037 PolarHBondContact O-N 2.9Å; M1019-V1037 HydrophobicContact SD-CG2 3.98Å |
| 1020 | V | 93.9 | Very high | 84.6 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.2 | -171.1 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | H1002 D1003 P1018 V1022 I1033 Y1035 N1036 | H1002-V1020 CarbonylContact C-O 3.58Å; H1002-V1020 VanDerWaalsContact CA-O 3.3Å; H1002-V1020 WeakPolarHBondContact CA-O 3.42Å; H1002-V1020 WeakPolarHBondContact CB-O 3.31Å; D1003-V1020 HydrophobicContact CB-CG2 4.13Å; D1003-V1020 PolarHBondContact N-O 3Å; D1003-V1020 WeakPolarHBondContact O-CG2 3.18Å; D1003-V1020 PolarHBondContact O-N 2.87Å; P1018-V1020 HydrophobicContact CB-CG1 4.3Å; V1020-V1022 HydrophobicContact CB-CG2 4.4Å; V1020-V1022 HydrophobicContact CG2-CG2 3.78Å; V1020-I1033 HydrophobicContact CB-CG2 3.99Å; V1020-I1033 HydrophobicContact CG1-CG2 3.96Å; V1020-Y1035 WeakPolarHBondContact CA-O 3.49Å; V1020-N1036 HydrophobicContact CG1-CB 3.94Å |
| 1021 | H | 92.3 | Very high | 84.3 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 17% | 0.167 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.2 | 166.3 | -172.6 | 61.7 | 0 | 0 | 0 | 109.1 | M1001 D1034 Y1035 | M1001-H1021 PolarHBondContact O-CE1 2.89Å; M1001-H1021 PolarHBondContact O-ND1 2.85Å; H1021-D1034 IonicContact CD2-OD2 2.66Å; H1021-D1034 PolarHBondContact CD2-OD2 3.4Å; H1021-D1034 IonicContact NE2-OD2 3.18Å; H1021-D1034 PolarHBondContact O-N 2.81Å; H1021-Y1035 HydrophobicContact CB-CD1 3.97Å; H1021-Y1035 HydrophobicContact CB-CD2 4.14Å; H1021-Y1035 HydrophobicContact CB-CE1 3.45Å; H1021-Y1035 VanDerWaalsContact CB-CE1 3.45Å; H1021-Y1035 HydrophobicContact CB-CE2 3.65Å; H1021-Y1035 HydrophobicContact CB-CG 4.28Å; H1021-Y1035 WeakPolarHBondContact CB-OH 3.28Å; H1021-Y1035 AromaticContact CD2-CE1 3.58Å; H1021-Y1035 AromaticContact CG-CE1 3.71Å; H1021-Y1035 AromaticContact CG-CZ 3.7Å; H1021-Y1035 PolarHBondContact N-O 3.44Å |
| 1022 | V | 87.8 | Confident | 84.5 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.2 | -173.1 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | D1003 V1020 I1032 I1033 | D1003-V1022 HydrophobicContact CB-CG2 4.27Å; V1020-V1022 HydrophobicContact CB-CG2 4.4Å; V1020-V1022 HydrophobicContact CG2-CG2 3.78Å; V1022-I1032 WeakPolarHBondContact CA-O 3.37Å; V1022-I1033 HydrophobicContact CG2-CG1 4.34Å |
| 1023 | T | 85.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.2 | 171 | -69.6 | 0 | 0 | 0 | 0 | 109.6 | L1025 I1032 D1034 | T1023-L1025 HydrophobicContact CG2-CD2 4.35Å; T1023-I1032 PolarHBondContact N-O 3.48Å; T1023-I1032 PolarHBondContact O-N 3.2Å; T1023-D1034 WeakPolarHBondContact CB-OD2 3.33Å; T1023-D1034 PolarHBondContact OG1-OD2 2.89Å |
| 1024 | K | 78.9 | Confident | 84.5 | Confident | 146 Ų | 146 | 67.4 Ų | 67.4 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.9 | 174.4 | -70.4 | -174.8 | -179 | -178.5 | 0 | 109.8 | S1026 | K1024-S1026 PolarHBondContact O-N 3.35Å |
| 1025 | L | 79.9 | Confident | 84.6 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 90.8 | 172.9 | -61.8 | -179.1 | 0 | 0 | 0 | 108.6 | T1023 N1027 L1028 K1029 T1030 I1032 | T1023-L1025 HydrophobicContact CG2-CD2 4.35Å; L1025-N1027 PolarHBondContact O-N 2.96Å; L1025-N1027 VanDerWaalsContact O-N 3.09Å; L1025-L1028 HydrophobicContact CB-CB 4.3Å; L1025-L1028 HydrophobicContact CD1-CD1 4.09Å; L1025-L1028 PolarHBondContact O-N 2.81Å; L1025-K1029 PolarHBondContact O-N 3.39Å; L1025-K1029 VanDerWaalsContact O-N 3.09Å; L1025-T1030 PolarHBondContact N-O 2.79Å; L1025-I1032 HydrophobicContact CD1-CD1 3.5Å; L1025-I1032 HydrophobicContact CD1-CG1 4.05Å; L1025-I1032 HydrophobicContact CG-CD1 4.38Å |
| 1026 | S | 72.6 | Confident | 84.6 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.8 | -177.4 | -45 | 0 | 0 | 0 | 0 | 112.8 | K1024 L1028 | K1024-S1026 PolarHBondContact O-N 3.35Å; S1026-L1028 VanDerWaalsContact C-N 3.32Å; S1026-L1028 PolarHBondContact O-N 2.87Å |
| 1027 | N | 70.3 | Confident | 84.6 | Confident | 161 Ų | 161 | 70.5 Ų | 70.5 | 86% | 0.861 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.3 | -177.3 | -59.2 | -4.3 | 0 | 0 | 0 | 113.3 | L1025 | L1025-N1027 PolarHBondContact O-N 2.96Å; L1025-N1027 VanDerWaalsContact O-N 3.09Å |
| 1028 | L | 69.9 | Low | 84.8 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 62% | 0.618 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -4.4 | -175.9 | -65.2 | 176.3 | 0 | 0 | 0 | 113.3 | L1025 S1026 T1030 | L1025-L1028 HydrophobicContact CB-CB 4.3Å; L1025-L1028 HydrophobicContact CD1-CD1 4.09Å; L1025-L1028 PolarHBondContact O-N 2.81Å; S1026-L1028 VanDerWaalsContact C-N 3.32Å; S1026-L1028 PolarHBondContact O-N 2.87Å; L1028-T1030 WeakPolarHBondContact CB-OG1 3.41Å; L1028-T1030 PolarHBondContact O-N 2.82Å |
| 1029 | K | 69.9 | Low | 84.9 | Confident | 209 Ų | 209 | 72.9 Ų | 72.9 | 91% | 0.909 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 29.5 | -170.9 | -60.8 | -176.3 | 179.3 | 179.7 | 0 | 113 | L1025 | L1025-K1029 PolarHBondContact O-N 3.39Å; L1025-K1029 VanDerWaalsContact O-N 3.09Å |
| 1030 | T | 74.7 | Confident | 85 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 155.9 | 179.1 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | L1025 L1028 | L1025-T1030 PolarHBondContact N-O 2.79Å; L1028-T1030 WeakPolarHBondContact CB-OG1 3.41Å; L1028-T1030 PolarHBondContact O-N 2.82Å |
| 1031 | S | 80.2 | Confident | 85 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.8 | 175.9 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1032 | I | 85.8 | Confident | 85.1 | Confident | 86 Ų | 86 | 74 Ų | 74 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134 | 174.7 | -59 | -178.1 | 0 | 0 | 0 | 108.2 | V1022 T1023 L1025 D1034 | V1022-I1032 WeakPolarHBondContact CA-O 3.37Å; T1023-I1032 PolarHBondContact N-O 3.48Å; T1023-I1032 PolarHBondContact O-N 3.2Å; L1025-I1032 HydrophobicContact CD1-CD1 3.5Å; L1025-I1032 HydrophobicContact CD1-CG1 4.05Å; L1025-I1032 HydrophobicContact CG-CD1 4.38Å; I1032-D1034 PolarHBondContact O-N 2.86Å |
| 1033 | I | 87.9 | Confident | 85.4 | Confident | 110 Ų | 110 | 76 Ų | 76 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 113 | 169.8 | -62.5 | 169.6 | 0 | 0 | 0 | 107.2 | V1020 V1022 | V1020-I1033 HydrophobicContact CB-CG2 3.99Å; V1020-I1033 HydrophobicContact CG1-CG2 3.96Å; V1022-I1033 HydrophobicContact CG2-CG1 4.34Å |
| 1034 | D | 88.8 | Confident | 85.6 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -42.5 | 179.5 | -62.6 | -37.9 | 0 | 0 | 0 | 110.8 | H1021 T1023 I1032 | H1021-D1034 IonicContact CD2-OD2 2.66Å; H1021-D1034 PolarHBondContact CD2-OD2 3.4Å; H1021-D1034 IonicContact NE2-OD2 3.18Å; H1021-D1034 PolarHBondContact O-N 2.81Å; T1023-D1034 WeakPolarHBondContact CB-OD2 3.33Å; T1023-D1034 PolarHBondContact OG1-OD2 2.89Å; I1032-D1034 PolarHBondContact O-N 2.86Å |
| 1035 | Y | 93.5 | Very high | 86.2 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 9% | 0.09 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 156.9 | 176 | 56.2 | -90.4 | 0 | 0 | 0 | 112.5 | K996 I997 H1002 V1020 H1021 V1037 E1040 | K996-Y1035 HydrophobicContact CD-CD2 4.41Å; K996-Y1035 HydrophobicContact CD-CE2 4.46Å; K996-Y1035 VanDerWaalsContact CE-CG 3.45Å; K996-Y1035 HydrophobicContact CG-CD2 4.32Å; K996-Y1035 HydrophobicContact CG-CE1 4.28Å; K996-Y1035 HydrophobicContact CG-CE2 3.89Å; K996-Y1035 PolarHBondContact O-OH 3.03Å; K996-Y1035 VanDerWaalsContact O-OH 3.11Å; I997-Y1035 HydrophobicContact CG2-CE2 4.14Å; H1002-Y1035 AromaticContact NE2-CE2 3.61Å; H1002-Y1035 AromaticContact NE2-CZ 3.79Å; H1002-Y1035 PolarHBondContact NE2-OH 3.03Å; V1020-Y1035 WeakPolarHBondContact CA-O 3.49Å; H1021-Y1035 HydrophobicContact CB-CD1 3.97Å; H1021-Y1035 HydrophobicContact CB-CD2 4.14Å; H1021-Y1035 HydrophobicContact CB-CE1 3.45Å; H1021-Y1035 VanDerWaalsContact CB-CE1 3.45Å; H1021-Y1035 HydrophobicContact CB-CE2 3.65Å; H1021-Y1035 HydrophobicContact CB-CG 4.28Å; H1021-Y1035 WeakPolarHBondContact CB-OH 3.28Å; H1021-Y1035 AromaticContact CD2-CE1 3.58Å; H1021-Y1035 AromaticContact CG-CE1 3.71Å; H1021-Y1035 AromaticContact CG-CZ 3.7Å; H1021-Y1035 PolarHBondContact N-O 3.44Å; Y1035-V1037 HydrophobicContact CE2-CG2 4.43Å; Y1035-E1040 WeakPolarHBondContact CB-OE1 3.27Å; Y1035-E1040 HydrophobicContact CD2-CG 4.28Å; Y1035-E1040 HydrophobicContact CG-CG 4.47Å |
| 1036 | N | 94.3 | Very high | 86.7 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.3 | 170.3 | 176.7 | -45.9 | 0 | 0 | 0 | 109.2 | P1018 V1020 R1038 A1039 E1040 | P1018-N1036 WeakPolarHBondContact CB-ND2 3.2Å; V1020-N1036 HydrophobicContact CG1-CB 3.94Å; N1036-R1038 VanDerWaalsContact C-N 3.31Å; N1036-R1038 PolarHBondContact O-N 2.78Å; N1036-R1038 WeakPolarHBondContact OD1-CB 3.43Å; N1036-R1038 PolarHBondContact OD1-N 2.95Å; N1036-A1039 HydrophobicContact CB-CB 3.97Å; N1036-A1039 WeakPolarHBondContact O-CB 3.29Å; N1036-A1039 PolarHBondContact O-N 3.33Å; N1036-A1039 PolarHBondContact OD1-N 2.72Å; N1036-E1040 VanDerWaalsContact O-CG 3.31Å; N1036-E1040 WeakPolarHBondContact O-CG 3.17Å; N1036-E1040 PolarHBondContact O-N 3.18Å |
| 1037 | V | 94.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | -173.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | Y867 V973 I993 I997 M1019 Y1035 E1040 I1041 | Y867-V1037 HydrophobicContact CE2-CG1 4.15Å; Y867-V1037 WeakPolarHBondContact OH-CG1 3.44Å; V973-V1037 HydrophobicContact CG2-CG1 4.29Å; I993-V1037 HydrophobicContact CD1-CG1 4.49Å; I993-V1037 HydrophobicContact CG2-CG1 4.21Å; I997-V1037 HydrophobicContact CG2-CG1 4.45Å; I997-V1037 HydrophobicContact CG2-CG2 3.88Å; M1019-V1037 HydrophobicContact CB-CB 4.44Å; M1019-V1037 HydrophobicContact CB-CG2 4.28Å; M1019-V1037 HydrophobicContact CE-CG2 4.48Å; M1019-V1037 HydrophobicContact CG-CG2 3.96Å; M1019-V1037 PolarHBondContact O-N 2.9Å; M1019-V1037 HydrophobicContact SD-CG2 3.98Å; Y1035-V1037 HydrophobicContact CE2-CG2 4.43Å; V1037-E1040 WeakPolarHBondContact O-CB 3.4Å; V1037-E1040 PolarHBondContact O-N 2.97Å; V1037-I1041 HydrophobicContact CG1-CD1 4.31Å; V1037-I1041 WeakPolarHBondContact O-CG1 3.5Å; V1037-I1041 PolarHBondContact O-N 3.47Å |
| 1038 | R | 94.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -45 | 175.5 | 178.2 | 179.9 | 170.4 | -96.7 | 2.2 | 111.6 | V973 C974 R975 V976 N1036 E1040 I1041 L1042 D1049 | V973-R1038 HydrophobicContact CG1-CB 3.95Å; C974-R1038 WeakPolarHBondContact O-CD 3.43Å; R975-R1038 PolarHBondContact O-NE 2.98Å; R975-R1038 PolarHBondContact O-NH2 3.45Å; V976-R1038 HydrophobicContact CB-CG 4.21Å; V976-R1038 HydrophobicContact CG1-CG 4.38Å; N1036-R1038 VanDerWaalsContact C-N 3.31Å; N1036-R1038 PolarHBondContact O-N 2.78Å; N1036-R1038 WeakPolarHBondContact OD1-CB 3.43Å; N1036-R1038 PolarHBondContact OD1-N 2.95Å; R1038-E1040 VanDerWaalsContact C-N 3.25Å; R1038-E1040 PolarHBondContact O-N 3.15Å; R1038-I1041 PolarHBondContact O-N 2.8Å; R1038-L1042 HydrophobicContact CG-CD1 4.29Å; R1038-L1042 WeakPolarHBondContact O-CG 3.23Å; R1038-L1042 PolarHBondContact O-N 3.22Å; R1038-L1042 VanDerWaalsContact O-N 3.1Å; R1038-D1049 IonicContact CZ-OD1 3.75Å; R1038-D1049 IonicContact NH2-OD1 3.63Å; R1038-D1049 PolarHBondContact NH2-OD1 3.37Å; R1038-D1049 IonicContact NH2-OD2 3.91Å |
| 1039 | A | 94.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1036 L1042 S1043 | N1036-A1039 HydrophobicContact CB-CB 3.97Å; N1036-A1039 WeakPolarHBondContact O-CB 3.29Å; N1036-A1039 PolarHBondContact O-N 3.33Å; N1036-A1039 PolarHBondContact OD1-N 2.72Å; A1039-L1042 PolarHBondContact O-N 2.89Å; A1039-S1043 WeakPolarHBondContact O-CB 3.48Å; A1039-S1043 PolarHBondContact O-N 2.98Å |
| 1040 | E | 95.4 | Very high | 91.1 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 175.2 | -67.2 | -62.6 | 168.6 | 0 | 0 | 113.1 | Y992 I993 K996 Y1035 N1036 V1037 R1038 S1043 M1044 | Y992-E1040 HydrophobicContact CE1-CB 4.29Å; Y992-E1040 PolarHBondContact OH-OE2 2.87Å; I993-E1040 HydrophobicContact CD1-CB 3.95Å; K996-E1040 HydrophobicContact CD-CG 4.23Å; K996-E1040 IonicContact NZ-OE1 3.43Å; K996-E1040 PolarHBondContact NZ-OE1 3.22Å; K996-E1040 IonicContact NZ-OE2 2.68Å; K996-E1040 PolarHBondContact NZ-OE2 2.83Å; Y1035-E1040 WeakPolarHBondContact CB-OE1 3.27Å; Y1035-E1040 HydrophobicContact CD2-CG 4.28Å; Y1035-E1040 HydrophobicContact CG-CG 4.47Å; N1036-E1040 VanDerWaalsContact O-CG 3.31Å; N1036-E1040 WeakPolarHBondContact O-CG 3.17Å; N1036-E1040 PolarHBondContact O-N 3.18Å; V1037-E1040 WeakPolarHBondContact O-CB 3.4Å; V1037-E1040 PolarHBondContact O-N 2.97Å; R1038-E1040 VanDerWaalsContact C-N 3.25Å; R1038-E1040 PolarHBondContact O-N 3.15Å; E1040-S1043 PolarHBondContact O-N 3.46Å; E1040-S1043 PolarHBondContact O-OG 3Å; E1040-M1044 WeakPolarHBondContact O-CG 3.09Å |
| 1041 | I | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 173.7 | -65.7 | 162.2 | 0 | 0 | 0 | 110.2 | A864 T865 V976 W985 V989 I993 V1037 R1038 M1044 | A864-I1041 WeakPolarHBondContact O-CD1 3.22Å; T865-I1041 HydrophobicContact CG2-CD1 4Å; V976-I1041 HydrophobicContact CG1-CD1 4.28Å; V976-I1041 HydrophobicContact CG2-CB 4.39Å; V976-I1041 HydrophobicContact CG2-CG2 3.71Å; W985-I1041 HydrophobicContact CH2-CG2 3.48Å; W985-I1041 VanDerWaalsContact CH2-CG2 3.48Å; W985-I1041 HydrophobicContact CZ2-CG2 4.18Å; W985-I1041 HydrophobicContact CZ3-CG2 3.7Å; V989-I1041 HydrophobicContact CG1-CG2 4.16Å; I993-I1041 HydrophobicContact CD1-CG1 3.7Å; I993-I1041 HydrophobicContact CG1-CG1 3.83Å; V1037-I1041 HydrophobicContact CG1-CD1 4.31Å; V1037-I1041 WeakPolarHBondContact O-CG1 3.5Å; V1037-I1041 PolarHBondContact O-N 3.47Å; R1038-I1041 PolarHBondContact O-N 2.8Å; I1041-M1044 PolarHBondContact O-N 2.9Å |
| 1042 | L | 94.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 179.9 | -66 | 174.2 | 0 | 0 | 0 | 112.2 | V976 R1038 A1039 M1044 G1045 | V976-L1042 HydrophobicContact CG2-CD2 3.81Å; V976-L1042 HydrophobicContact CG2-CG 4.27Å; R1038-L1042 HydrophobicContact CG-CD1 4.29Å; R1038-L1042 WeakPolarHBondContact O-CG 3.23Å; R1038-L1042 PolarHBondContact O-N 3.22Å; R1038-L1042 VanDerWaalsContact O-N 3.1Å; A1039-L1042 PolarHBondContact O-N 2.89Å; L1042-M1044 PolarHBondContact O-N 3.33Å; L1042-M1044 VanDerWaalsContact O-N 3.15Å; L1042-G1045 PolarHBondContact O-N 3.32Å |
| 1043 | S | 92.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -18.6 | 179.4 | 79.2 | 0 | 0 | 0 | 0 | 113 | H500 A1039 E1040 G1045 | H500-S1043 PolarHBondContact NE2-O 2.82Å; A1039-S1043 WeakPolarHBondContact O-CB 3.48Å; A1039-S1043 PolarHBondContact O-N 2.98Å; E1040-S1043 PolarHBondContact O-N 3.46Å; E1040-S1043 PolarHBondContact O-OG 3Å; S1043-G1045 VanDerWaalsContact C-N 3.31Å |
| 1044 | M | 90.9 | Very high | 92.5 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.9 | 173.5 | -62.8 | -169.2 | 72.7 | 0 | 0 | 114 | H500 K988 V989 Y992 E1040 I1041 L1042 M1046 | H500-M1044 PolarHBondContact CD2-O 2.86Å; K988-M1044 HydrophobicContact CG-CE 4.01Å; V989-M1044 HydrophobicContact CB-SD 4.06Å; V989-M1044 HydrophobicContact CG1-SD 3.81Å; V989-M1044 HydrophobicContact CG2-CB 4.5Å; V989-M1044 HydrophobicContact CG2-CE 4.33Å; V989-M1044 HydrophobicContact CG2-SD 4.18Å; Y992-M1044 VanDerWaalsContact CB-SD 3.52Å; Y992-M1044 HydrophobicContact CD1-CE 4.37Å; Y992-M1044 HydrophobicContact CD1-CG 4.16Å; Y992-M1044 HydrophobicContact CD1-SD 3.37Å; Y992-M1044 WeakPolarHBondContact CD1-SD 3.46Å; Y992-M1044 HydrophobicContact CE1-SD 4.25Å; Y992-M1044 HydrophobicContact CG-CE 3.96Å; Y992-M1044 HydrophobicContact CG-SD 3.56Å; Y992-M1044 VanDerWaalsContact CG-SD 3.56Å; E1040-M1044 WeakPolarHBondContact O-CG 3.09Å; I1041-M1044 PolarHBondContact O-N 2.9Å; L1042-M1044 PolarHBondContact O-N 3.33Å; L1042-M1044 VanDerWaalsContact O-N 3.15Å; M1044-M1046 PolarHBondContact O-N 2.88Å |
| 1045 | G | 90.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 8.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G498 L499 H500 L1042 S1043 | G498-G1045 CarbonylContact C-O 3.36Å; G498-G1045 WeakPolarHBondContact CA-O 3.5Å; L499-G1045 WeakPolarHBondContact CB-O 3.38Å; L499-G1045 WeakPolarHBondContact CG-O 3.26Å; L499-G1045 PolarHBondContact N-O 3.06Å; H500-G1045 VanDerWaalsContact CD2-CA 3.5Å; H500-G1045 WeakPolarHBondContact CD2-CA 3.29Å; H500-G1045 VanDerWaalsContact NE2-CA 3.34Å; H500-G1045 WeakPolarHBondContact NE2-CA 3.44Å; H500-G1045 PolarHBondContact NE2-N 3.15Å; H500-G1045 VanDerWaalsContact NE2-N 3.11Å; L1042-G1045 PolarHBondContact O-N 3.32Å; S1043-G1045 VanDerWaalsContact C-N 3.31Å |
| 1046 | M | 90.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 43 Ų | 43 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -104.2 | 4.9 | 178.6 | -66 | -78.4 | -171.5 | 0 | 0 | 112.1 | G498 A979 K988 V989 M1044 | G498-M1046 VanDerWaalsContact CA-SD 3.51Å; A979-M1046 PolarHBondContact N-O 3.41Å; K988-M1046 HydrophobicContact CD-CE 4.4Å; V989-M1046 HydrophobicContact CG2-CB 3.42Å; V989-M1046 VanDerWaalsContact CG2-CB 3.42Å; V989-M1046 HydrophobicContact CG2-CG 3.97Å; M1044-M1046 PolarHBondContact O-N 2.88Å |
| 1047 | G | 92.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K977 | K977-G1047 CarbonylContact O-C 3.52Å; K977-G1047 WeakPolarHBondContact O-CA 3.44Å |
| 1048 | I | 94.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160.4 | 176.9 | 58.3 | 174.7 | 0 | 0 | 0 | 110.6 | L499 V976 K977 A979 | L499-I1048 HydrophobicContact CD1-CG2 3.34Å; V976-I1048 WeakPolarHBondContact CA-O 3.44Å; K977-I1048 HydrophobicContact CD-CG1 4.47Å; K977-I1048 HydrophobicContact CG-CD1 4.22Å; K977-I1048 HydrophobicContact CG-CG1 3.7Å; K977-I1048 PolarHBondContact N-O 3.12Å; K977-I1048 PolarHBondContact O-N 2.8Å; A979-I1048 HydrophobicContact CB-CG2 4.14Å |
| 1049 | D | 94.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 147.2 | 172.1 | -172.7 | 27 | 0 | 0 | 0 | 111.3 | R1038 | R1038-D1049 IonicContact CZ-OD1 3.75Å; R1038-D1049 IonicContact NH2-OD1 3.63Å; R1038-D1049 PolarHBondContact NH2-OD1 3.37Å; R1038-D1049 IonicContact NH2-OD2 3.91Å |
| 1050 | N | 93.6 | Very high | 91 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -134.7 | 75 | 178 | -169.5 | 23 | 0 | 0 | 0 | 110.1 | F818 R975 K977 E1052 H1053 | F818-N1050 PolarHBondContact O-ND2 3.13Å; R975-N1050 WeakPolarHBondContact CA-O 3.17Å; R975-N1050 PolarHBondContact O-N 2.85Å; K977-N1050 HydrophobicContact CB-CB 4.2Å; K977-N1050 HydrophobicContact CD-CB 3.98Å; K977-N1050 HydrophobicContact CG-CB 3.96Å; K977-N1050 PolarHBondContact NZ-OD1 3.45Å; N1050-E1052 VanDerWaalsContact C-N 3.26Å; N1050-E1052 PolarHBondContact O-N 3.35Å; N1050-H1053 HydrophobicContact CB-CB 4.4Å; N1050-H1053 WeakPolarHBondContact O-CB 3.07Å; N1050-H1053 PolarHBondContact O-N 2.98Å | ||
| 1051 | S | 88.9 | Confident | 90.4 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.8 | -178.3 | 50.5 | 0 | 0 | 0 | 0 | 113 | H1053 | S1051-H1053 PolarHBondContact O-N 3.16Š|
| 1052 | E | 88.8 | Confident | 89.8 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71 | -14.4 | -176.7 | -61.8 | 178.2 | -172.4 | 0 | 0 | 113.9 | N1050 L1054 E1055 Q1056 | N1050-E1052 VanDerWaalsContact C-N 3.26Å; N1050-E1052 PolarHBondContact O-N 3.35Å; E1052-L1054 PolarHBondContact O-N 2.88Å; E1052-E1055 PolarHBondContact O-N 2.96Å; E1052-Q1056 WeakPolarHBondContact O-CG 3.43Å; E1052-Q1056 PolarHBondContact O-N 3.18Å |
| 1053 | H | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.3 | -54.1 | -174.2 | -175.3 | -174.7 | 0 | 0 | 0 | 112.1 | K816 A817 G819 R975 W1015 N1050 S1051 L1057 | K816-H1053 PolarHBondContact O-NE2 3.48Å; K816-H1053 VanDerWaalsContact O-NE2 3.13Å; A817-H1053 VanDerWaalsContact C-CE1 3.5Å; A817-H1053 PolarHBondContact O-CE1 2.95Å; A817-H1053 PolarHBondContact O-NE2 3.41Å; G819-H1053 PolarHBondContact N-CD2 2.82Å; G819-H1053 VanDerWaalsContact N-CD2 3.28Å; R975-H1053 PolarHBondContact N-ND1 3.42Å; W1015-H1053 AromaticContact CD1-NE2 3.95Å; W1015-H1053 AromaticContact NE1-NE2 3.81Å; N1050-H1053 HydrophobicContact CB-CB 4.4Å; N1050-H1053 WeakPolarHBondContact O-CB 3.07Å; N1050-H1053 PolarHBondContact O-N 2.98Å; S1051-H1053 PolarHBondContact O-N 3.16Å; H1053-L1057 WeakPolarHBondContact NE2-CD1 3.09Å; H1053-L1057 WeakPolarHBondContact O-CG 3.27Å; H1053-L1057 PolarHBondContact O-N 2.66Å |
| 1054 | L | 89.5 | Confident | 88.6 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.6 | -33 | -176.1 | -68.3 | 173.1 | 0 | 0 | 0 | 112 | C974 R975 V1007 E1052 L1057 K1058 | C974-L1054 HydrophobicContact CB-CD2 3.99Å; C974-L1054 HydrophobicContact CB-CG 4.28Å; R975-L1054 HydrophobicContact CG-CD1 4.02Å; R975-L1054 HydrophobicContact CG-CG 4.43Å; V1007-L1054 HydrophobicContact CB-CD2 4.43Å; V1007-L1054 HydrophobicContact CG1-CD1 4.12Å; V1007-L1054 HydrophobicContact CG1-CD2 3.94Å; E1052-L1054 PolarHBondContact O-N 2.88Å; L1054-L1057 PolarHBondContact O-N 3.5Å; L1054-K1058 WeakPolarHBondContact O-CB 3.24Å; L1054-K1058 VanDerWaalsContact O-CG 3.26Å; L1054-K1058 WeakPolarHBondContact O-CG 3.48Å; L1054-K1058 PolarHBondContact O-N 3.09Å |
| 1055 | E | 89.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 59% | 0.593 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.7 | -45.1 | 178.8 | -64.7 | -178.1 | 170.3 | 0 | 0 | 111.3 | E1052 K1058 K1059 | E1052-E1055 PolarHBondContact O-N 2.96Å; E1055-K1058 PolarHBondContact O-N 3.09Å; E1055-K1059 WeakPolarHBondContact O-CB 3.45Å; E1055-K1059 PolarHBondContact O-N 3.35Å |
| 1056 | Q | 89.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.6 | -64 | -60.6 | -25.6 | 0 | 0 | 111.9 | G819 E1052 K1059 L1060 | G819-Q1056 WeakPolarHBondContact O-CB 3.4Å; E1052-Q1056 WeakPolarHBondContact O-CG 3.43Å; E1052-Q1056 PolarHBondContact O-N 3.18Å; Q1056-K1059 WeakPolarHBondContact O-CB 3.35Å; Q1056-K1059 PolarHBondContact O-N 2.99Å; Q1056-L1060 WeakPolarHBondContact O-CG 3.49Å; Q1056-L1060 PolarHBondContact O-N 3.31Å |
| 1057 | L | 87.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 176.2 | -70.1 | 174.6 | 0 | 0 | 0 | 112.3 | L1008 W1015 H1053 L1054 K1059 L1060 Y1061 | L1008-L1057 HydrophobicContact CD2-CB 3.74Å; L1008-L1057 HydrophobicContact CD2-CD1 4.12Å; L1008-L1057 HydrophobicContact CD2-CG 4.43Å; W1015-L1057 HydrophobicContact CD2-CD1 4.28Å; W1015-L1057 HydrophobicContact CG-CD1 4.16Å; W1015-L1057 HydrophobicContact CZ2-CD1 4.37Å; W1015-L1057 HydrophobicContact CZ2-CD2 4.36Å; W1015-L1057 VanDerWaalsContact NE1-CD1 3.26Å; H1053-L1057 WeakPolarHBondContact NE2-CD1 3.09Å; H1053-L1057 WeakPolarHBondContact O-CG 3.27Å; H1053-L1057 PolarHBondContact O-N 2.66Å; L1054-L1057 PolarHBondContact O-N 3.5Å; L1057-K1059 VanDerWaalsContact C-N 3.28Å; L1057-K1059 PolarHBondContact O-N 2.95Å; L1057-L1060 PolarHBondContact O-N 3.32Å; L1057-Y1061 PolarHBondContact O-N 3.03Å |
| 1058 | K | 86.9 | Confident | 82.7 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 174.1 | -75.7 | 177.1 | 180 | -175.1 | 0 | 111.7 | L1054 E1055 Y1061 K1062 | L1054-K1058 WeakPolarHBondContact O-CB 3.24Å; L1054-K1058 VanDerWaalsContact O-CG 3.26Å; L1054-K1058 WeakPolarHBondContact O-CG 3.48Å; L1054-K1058 PolarHBondContact O-N 3.09Å; E1055-K1058 PolarHBondContact O-N 3.09Å; K1058-Y1061 PolarHBondContact O-N 3.12Å; K1058-K1062 WeakPolarHBondContact O-CG 3.46Å; K1058-K1062 PolarHBondContact O-N 2.82Å |
| 1059 | K | 88.2 | Confident | 80.7 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 174.7 | -174.7 | -177.9 | 175.6 | -175.4 | 0 | 111.3 | E1055 Q1056 L1057 Y1061 K1062 E1063 | E1055-K1059 WeakPolarHBondContact O-CB 3.45Å; E1055-K1059 PolarHBondContact O-N 3.35Å; Q1056-K1059 WeakPolarHBondContact O-CB 3.35Å; Q1056-K1059 PolarHBondContact O-N 2.99Å; L1057-K1059 VanDerWaalsContact C-N 3.28Å; L1057-K1059 PolarHBondContact O-N 2.95Å; K1059-Y1061 VanDerWaalsContact C-N 3.29Å; K1059-Y1061 PolarHBondContact O-N 3.26Å; K1059-K1062 PolarHBondContact O-N 2.9Å; K1059-E1063 WeakPolarHBondContact CE-OE1 3.22Å; K1059-E1063 WeakPolarHBondContact O-CG 3.39Å; K1059-E1063 PolarHBondContact O-N 2.94Å |
| 1060 | L | 85.8 | Confident | 78 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.2 | -69.5 | 169.8 | 0 | 0 | 0 | 112.3 | L815 I833 Q1056 L1057 E1063 A1064 | L815-L1060 HydrophobicContact CD1-CD1 3.92Å; L815-L1060 HydrophobicContact CD2-CD1 3.72Å; L815-L1060 HydrophobicContact CG-CD1 3.88Å; I833-L1060 HydrophobicContact CD1-CB 3.87Å; I833-L1060 HydrophobicContact CG1-CB 4.37Å; Q1056-L1060 WeakPolarHBondContact O-CG 3.49Å; Q1056-L1060 PolarHBondContact O-N 3.31Å; L1057-L1060 PolarHBondContact O-N 3.32Å; L1060-E1063 PolarHBondContact O-N 3.43Å; L1060-A1064 PolarHBondContact O-N 3.46Å; L1060-A1064 VanDerWaalsContact O-N 3.11Å |
| 1061 | Y | 82.8 | Confident | 75 | Confident | 21 Ų | 21 | 84.1 Ų | 84.1 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.5 | -167.9 | -80.1 | 0 | 0 | 0 | 112 | L1008 L1010 L1057 K1058 K1059 A1064 L1066 P1067 F1069 | L1008-Y1061 HydrophobicContact CD1-CD2 3.82Å; L1008-Y1061 HydrophobicContact CD1-CE2 4.22Å; L1010-Y1061 HydrophobicContact CD2-CD2 3.85Å; L1010-Y1061 HydrophobicContact CD2-CE2 3.9Å; L1057-Y1061 PolarHBondContact O-N 3.03Å; K1058-Y1061 PolarHBondContact O-N 3.12Å; K1059-Y1061 VanDerWaalsContact C-N 3.29Å; K1059-Y1061 PolarHBondContact O-N 3.26Å; Y1061-A1064 PolarHBondContact O-N 3.11Å; Y1061-L1066 HydrophobicContact CD1-CB 4.1Å; Y1061-L1066 HydrophobicContact CD2-CD1 3.89Å; Y1061-L1066 HydrophobicContact CE1-CB 3.48Å; Y1061-L1066 VanDerWaalsContact CE1-CB 3.48Å; Y1061-L1066 HydrophobicContact CE1-CD1 4.44Å; Y1061-L1066 HydrophobicContact CE2-CB 4.08Å; Y1061-L1066 HydrophobicContact CE2-CD1 3.58Å; Y1061-L1066 HydrophobicContact CE2-CG 4.49Å; Y1061-L1066 HydrophobicContact CG-CD1 4.44Å; Y1061-L1066 VanDerWaalsContact CZ-CB 3.47Å; Y1061-P1067 WeakPolarHBondContact CE1-O 3.29Å; Y1061-P1067 PolarHBondContact OH-O 3.48Å; Y1061-F1069 HydrophobicContact CD1-CD2 4.13Å; Y1061-F1069 AromaticContact CD1-CE2 3.34Å; Y1061-F1069 HydrophobicContact CD1-CE2 3.34Å; Y1061-F1069 HydrophobicContact CD1-CZ 4.08Å; Y1061-F1069 AromaticContact CD2-CE2 3.92Å; Y1061-F1069 HydrophobicContact CD2-CE2 3.92Å; Y1061-F1069 AromaticContact CD2-CZ 3.83Å; Y1061-F1069 HydrophobicContact CD2-CZ 3.83Å; Y1061-F1069 AromaticContact CE1-CD2 3.9Å; Y1061-F1069 HydrophobicContact CE1-CD2 3.9Å; Y1061-F1069 AromaticContact CE1-CE2 3.3Å; Y1061-F1069 HydrophobicContact CE1-CE2 3.3Å; Y1061-F1069 AromaticContact CE1-CZ 3.87Å; Y1061-F1069 HydrophobicContact CE1-CZ 3.87Å; Y1061-F1069 AromaticContact CE2-CE2 3.91Å; Y1061-F1069 HydrophobicContact CE2-CE2 3.91Å; Y1061-F1069 AromaticContact CE2-CZ 3.62Å; Y1061-F1069 HydrophobicContact CE2-CZ 3.62Å; Y1061-F1069 AromaticContact CG-CE2 3.65Å; Y1061-F1069 HydrophobicContact CG-CE2 3.65Å; Y1061-F1069 HydrophobicContact CG-CZ 4.05Å; Y1061-F1069 AromaticContact CZ-CE2 3.6Å; Y1061-F1069 AromaticContact CZ-CZ 3.63Å |
| 1062 | K | 83.3 | Confident | 72.3 | Confident | 166 Ų | 166 | 87 Ų | 87 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 177.2 | -72.8 | 177.9 | 179.6 | -173.7 | 0 | 112.1 | K1058 K1059 A1064 K1065 | K1058-K1062 WeakPolarHBondContact O-CG 3.46Å; K1058-K1062 PolarHBondContact O-N 2.82Å; K1059-K1062 PolarHBondContact O-N 2.9Å; K1062-A1064 PolarHBondContact O-N 3.03Å; K1062-K1065 PolarHBondContact O-N 2.99Å; K1062-K1065 VanDerWaalsContact O-N 3.16Å |
| 1063 | E | 83.5 | Confident | 69.4 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -32.8 | 177.2 | -73.4 | 171.4 | -179.3 | 0 | 0 | 112 | K1059 L1060 K1065 | K1059-E1063 WeakPolarHBondContact CE-OE1 3.22Å; K1059-E1063 WeakPolarHBondContact O-CG 3.39Å; K1059-E1063 PolarHBondContact O-N 2.94Å; L1060-E1063 PolarHBondContact O-N 3.43Å; E1063-K1065 PolarHBondContact O-N 3.06Å |
| 1064 | A | 78.4 | Confident | 66.3 | Low | 20 Ų | 20 | 93 Ų | 93 | 17% | 0.165 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I833 L1060 Y1061 K1062 L1066 | I833-A1064 HydrophobicContact CB-CB 3.78Å; I833-A1064 HydrophobicContact CG2-CB 3.89Å; L1060-A1064 PolarHBondContact O-N 3.46Å; L1060-A1064 VanDerWaalsContact O-N 3.11Å; Y1061-A1064 PolarHBondContact O-N 3.11Å; K1062-A1064 PolarHBondContact O-N 3.03Å; A1064-L1066 HydrophobicContact CB-CD1 4.39Å; A1064-L1066 HydrophobicContact CB-CG 4.31Å; A1064-L1066 PolarHBondContact O-N 3.31Å; A1064-L1066 VanDerWaalsContact O-N 3.14Å |
| 1065 | K | 69.8 | Low | 63.3 | Low | 194 Ų | 194 | 100.7 Ų | 100.7 | 84% | 0.843 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.9 | -179.9 | -57.8 | 179.6 | -178.9 | 175.2 | 0 | 114.2 | K1062 E1063 | K1062-K1065 PolarHBondContact O-N 2.99Å; K1062-K1065 VanDerWaalsContact O-N 3.16Å; E1063-K1065 PolarHBondContact O-N 3.06Å |
| 1066 | L | 65.8 | Low | 60.3 | Low | 31 Ų | 31 | 100.4 Ų | 100.4 | 16% | 0.162 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 154.9 | 171.6 | -71.7 | 169.9 | 0 | 0 | 0 | 110.4 | I833 P835 L1010 Y1061 A1064 | I833-L1066 HydrophobicContact CG2-CD1 3.93Å; P835-L1066 HydrophobicContact CB-CD2 4.08Å; L1010-L1066 HydrophobicContact CD2-CD1 4.14Å; Y1061-L1066 HydrophobicContact CD1-CB 4.1Å; Y1061-L1066 HydrophobicContact CD2-CD1 3.89Å; Y1061-L1066 HydrophobicContact CE1-CB 3.48Å; Y1061-L1066 VanDerWaalsContact CE1-CB 3.48Å; Y1061-L1066 HydrophobicContact CE1-CD1 4.44Å; Y1061-L1066 HydrophobicContact CE2-CB 4.08Å; Y1061-L1066 HydrophobicContact CE2-CD1 3.58Å; Y1061-L1066 HydrophobicContact CE2-CG 4.49Å; Y1061-L1066 HydrophobicContact CG-CD1 4.44Å; Y1061-L1066 VanDerWaalsContact CZ-CB 3.47Å; A1064-L1066 HydrophobicContact CB-CD1 4.39Å; A1064-L1066 HydrophobicContact CB-CG 4.31Å; A1064-L1066 PolarHBondContact O-N 3.31Å; A1064-L1066 VanDerWaalsContact O-N 3.14Å |
| 1067 | P | 56.8 | Low | 57.3 | Low | 99 Ų | 99 | 102.5 Ų | 102.5 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 141 | -178.7 | -22.9 | 31.6 | 0 | 0 | 0 | 112.3 | Y1061 | Y1061-P1067 WeakPolarHBondContact CE1-O 3.29Å; Y1061-P1067 PolarHBondContact OH-O 3.48Å |
| 1068 | A | 48.8 | Very low | 54.3 | Low | 64 Ų | 64 | 109.5 Ų | 109.5 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 142 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1070 | A1068-E1070 PolarHBondContact O-N 3.32Å; A1068-E1070 VanDerWaalsContact O-N 3.11Å |
| 1069 | F | 50.5 | Low | 51.5 | Low | 85 Ų | 85 | 110 Ų | 110 | 37% | 0.373 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.3 | -15.3 | -176.7 | -82.2 | -86.6 | 0 | 0 | 0 | 115 | V850 L1008 Y1061 | V850-F1069 HydrophobicContact CG1-CD1 4.49Å; V850-F1069 HydrophobicContact CG1-CE1 4.11Å; L1008-F1069 HydrophobicContact CD1-CE1 4.11Å; L1008-F1069 HydrophobicContact CD1-CE2 4.38Å; L1008-F1069 HydrophobicContact CD1-CZ 3.42Å; L1008-F1069 VanDerWaalsContact CD1-CZ 3.42Å; Y1061-F1069 HydrophobicContact CD1-CD2 4.13Å; Y1061-F1069 AromaticContact CD1-CE2 3.34Å; Y1061-F1069 HydrophobicContact CD1-CE2 3.34Å; Y1061-F1069 HydrophobicContact CD1-CZ 4.08Å; Y1061-F1069 AromaticContact CD2-CE2 3.92Å; Y1061-F1069 HydrophobicContact CD2-CE2 3.92Å; Y1061-F1069 AromaticContact CD2-CZ 3.83Å; Y1061-F1069 HydrophobicContact CD2-CZ 3.83Å; Y1061-F1069 AromaticContact CE1-CD2 3.9Å; Y1061-F1069 HydrophobicContact CE1-CD2 3.9Å; Y1061-F1069 AromaticContact CE1-CE2 3.3Å; Y1061-F1069 HydrophobicContact CE1-CE2 3.3Å; Y1061-F1069 AromaticContact CE1-CZ 3.87Å; Y1061-F1069 HydrophobicContact CE1-CZ 3.87Å; Y1061-F1069 AromaticContact CE2-CE2 3.91Å; Y1061-F1069 HydrophobicContact CE2-CE2 3.91Å; Y1061-F1069 AromaticContact CE2-CZ 3.62Å; Y1061-F1069 HydrophobicContact CE2-CZ 3.62Å; Y1061-F1069 AromaticContact CG-CE2 3.65Å; Y1061-F1069 HydrophobicContact CG-CE2 3.65Å; Y1061-F1069 HydrophobicContact CG-CZ 4.05Å; Y1061-F1069 AromaticContact CZ-CE2 3.6Å; Y1061-F1069 AromaticContact CZ-CZ 3.63Å |
| 1070 | E | 38.2 | Very low | 48.4 | Very low | 183 Ų | 183 | 110.8 Ų | 110.8 | 86% | 0.855 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -7.8 | -167.7 | -70.6 | 175.3 | 175.6 | 0 | 0 | 114.5 | A1068 | A1068-E1070 PolarHBondContact O-N 3.32Å; A1068-E1070 VanDerWaalsContact O-N 3.11Å |
| 1071 | D | 30.3 | Very low | 45.7 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | trans | -107.7 | 23.7 | -170.1 | -73.4 | -36.9 | 0 | 0 | 0 | 115.8 | ||||
| 1072 | L | 32.9 | Very low | 43 | Very low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -108.1 | 109.3 | 172.9 | -86.4 | 146.8 | 0 | 0 | 0 | 110.4 | C1074 | L1072-C1074 PolarHBondContact O-N 2.76Š|
| 1073 | P | 28.1 | Very low | 40.3 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -65.9 | 123.8 | -176.2 | 23.9 | -30.7 | 0 | 0 | 0 | 111 | Q1075 | P1073-Q1075 PolarHBondContact O-N 3.46Š| ||
| 1074 | C | 25.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -60.9 | 96.7 | 164.9 | -90.9 | 0 | 0 | 0 | 0 | 109.8 | L1072 T1076 | L1072-C1074 PolarHBondContact O-N 2.76Å; C1074-T1076 PolarHBondContact O-N 3.43Å | ||
| 1075 | Q | 27.9 | Very low | 35.1 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | trans | -83.5 | 89.1 | 160 | -72.9 | -166.7 | 0.8 | 0 | 0 | 109.5 | P1073 | P1073-Q1075 PolarHBondContact O-N 3.46Š| ||
| 1076 | T | 26.1 | Very low | 33 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -119.6 | 91.6 | 154.2 | 32.3 | 0 | 0 | 0 | 0 | 107.2 | C1074 I1078 | C1074-T1076 PolarHBondContact O-N 3.43Å; T1076-I1078 PolarHBondContact O-N 3.5Å | ||
| 1077 | S | 25.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 123.6 | 165.8 | 44.4 | 0 | 0 | 0 | 0 | 108.9 | P1079 | S1077-P1079 WeakPolarHBondContact O-CD 3.24Š| ||
| 1078 | I | 25.8 | Very low | 29.6 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | -76.9 | 122 | 168.8 | -60.3 | 168.3 | 0 | 0 | 0 | 106.6 | T1076 T1080 | T1076-I1078 PolarHBondContact O-N 3.5Å; I1078-T1080 PolarHBondContact O-N 3.5Å | ||
| 1079 | P | 27.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -81.1 | 114.1 | 168.7 | 28.6 | -25 | 0 | 0 | 0 | 109.1 | S1077 | S1077-P1079 WeakPolarHBondContact O-CD 3.24Š| ||
| 1080 | T | 23.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 129.3 | 163 | 36.3 | 0 | 0 | 0 | 0 | 110.2 | I1078 | I1078-T1080 PolarHBondContact O-N 3.5Š| ||
| 1081 | T | 28.9 | Very low | 26.5 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 127.6 | 169.5 | 42.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1082 | V | 26.5 | Very low | 26.3 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -148.6 | 122.1 | 152.9 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1083 | E | 27.3 | Very low | 26 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -97.6 | 150.8 | 162.2 | -88 | -176.7 | 158.9 | 0 | 0 | 110.3 | ||||
| 1084 | D | 27.5 | Very low | 25.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 71.2 | 109 | 158.6 | -64.9 | -15.7 | 0 | 0 | 0 | 121.8 | ||||
| 1085 | T | 24.4 | Very low | 25.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | -176 | 123.6 | 105.7 | 11.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1086 | V | 26.6 | Very low | 25.8 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | 54.4 | 111.2 | 132.5 | -176.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1087 | C | 24.1 | Very low | 25.8 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | 45.9 | 120.8 | 124.9 | -137.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1088 | L | 25.4 | Very low | 25.9 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 168.4 | 129.4 | 110.7 | -89.3 | 161 | 0 | 0 | 0 | 113.2 | |||||
| 1089 | Q | 24.7 | Very low | 26 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 18 | 138.6 | 145.7 | -70 | 171.4 | -25.3 | 0 | 0 | 121.9 | ||||
| 1090 | G | 24.6 | Very low | 26 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 162.8 | 71.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1091 | T | 24.5 | Very low | 26.1 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 38.4 | 129.2 | 135.3 | 12.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1092 | Q | 25.9 | Very low | 26 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 73.3 | 145.3 | 130.7 | -89.4 | 172.8 | 3.9 | 0 | 0 | 117.5 | ||||
| 1093 | Q | 25.9 | Very low | 26 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | cis | -178.6 | 163.9 | 3.1 | -145.9 | 167.3 | -6 | 0 | 0 | 106.2 | ||||
| 1094 | G | 26.2 | Very low | 26 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 114.5 | 97.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1095 | D | 26.1 | Very low | 26 | Very low | 175 Ų | 175 | 126 Ų | 126 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | 77.3 | 127 | 101.1 | -103.5 | -5.5 | 0 | 0 | 0 | 112.3 | |||||
| 1096 | G | 25.4 | Very low | 26.1 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | 129.2 | 106.3 | 16.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1097 | G | 25.8 | Very low | 26.2 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 82.2 | 154.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1098 | T | 27.9 | Very low | 26.4 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | cis | -164.2 | 163.3 | 12.7 | -51.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1099 | E | 27.9 | Very low | 26.7 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -56.1 | 161.3 | 176 | -62.3 | -178.6 | 116.1 | 0 | 0 | 118.4 | ||||
| 1100 | R | 27.4 | Very low | 27 | Very low | 231 Ų | 231 | 124 Ų | 124 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | 54.9 | 132.6 | 141.4 | -75.6 | 176.6 | -168.1 | -141.7 | 2.1 | 120.6 | ||||
| 1101 | G | 26.2 | Very low | 27.4 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 156.9 | 131.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1102 | A | 26.5 | Very low | 27.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 94% | 0.942 | 77% | 0.773 | S | S | * | * | trans | -68.2 | 167.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1103 | G | 26.1 | Very low | 29.5 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 130.9 | 101.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1104 | S | 26.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | 43.1 | 132.9 | 131 | 57.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1105 | Q | 27.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 65.3 | 148 | 145.5 | -73.8 | 173 | -65 | 0 | 0 | 116.4 | ||||
| 1106 | E | 28.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | cis | -165.4 | 153.4 | 0.5 | -123.4 | 163.1 | -154.7 | 0 | 0 | 105.5 | ||||
| 1107 | D | 27.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 58.6 | 133.5 | 146.6 | -75 | -16.3 | 0 | 0 | 0 | 125.4 | ||||
| 1108 | S | 29 | Very low | 30.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 99.5 | 107.8 | 134.1 | 73.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1109 | D | 30.6 | Very low | 30.8 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | 74.2 | 125.8 | 124.6 | -92.4 | 0.8 | 0 | 0 | 0 | 122.9 | |||||
| 1110 | N | 32.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | 69 | 106.3 | 134.4 | -78 | -32.2 | 0 | 0 | 0 | 119.1 | ||||
| 1111 | Q | 32.8 | Very low | 31.3 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | 163.9 | 132.4 | 88.9 | -105 | 164.8 | 8.8 | 0 | 0 | 110.8 | |||||
| 1112 | K | 35.2 | Very low | 31.8 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 164.8 | 169.5 | -98.1 | -174 | 178 | -175.9 | 0 | 111.3 | ||||
| 1113 | P | 58.9 | Low | 32.2 | Very low | 188 Ų | 188 | 140 Ų | 140 | 100% | 1.221 | 78% | 0.783 | S | S | * | * | -101.5 | 0 | 65.1 | -14.4 | 32.9 | 0 | 0 | 0 | 115.8 |
Retrieved 1,113 of 1,113 residues in 1862.6 ms
(Link to these results)