| 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 | 44.8 | Very low | 87.9 | Confident | 239 Ų | 239 | 59.5 Ų | 59.5 | 100% | 1.177 | 31% | 0.31 | S | S | * | . | 0 | 125.3 | 0 | -76.5 | 178.8 | 179.3 | 0 | 0 | 107.6 | T3 | M1-T3 PolarHBondContact O-N 3.3Š| |||
| 2 | T | 56.4 | Low | 88.8 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 117.5 | 174.3 | 35.6 | 0 | 0 | 0 | 0 | 108.9 | R4 | T2-R4 PolarHBondContact O-N 3.47Š|
| 3 | T | 83.7 | Confident | 89.5 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 87% | 0.871 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 121.9 | 178.2 | -22.1 | 0 | 0 | 0 | 0 | 108.7 | M1 K5 | M1-T3 PolarHBondContact O-N 3.3Å; T3-K5 PolarHBondContact O-N 3.25Å |
| 4 | R | 95.3 | Very high | 90.2 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 25% | 0.249 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 122.7 | 177.7 | -67.7 | 177.9 | -62.4 | -81.6 | -2.3 | 109.1 | T2 F6 N202 V204 R205 P224 D227 | T2-R4 PolarHBondContact O-N 3.47Å; R4-F6 PolarHBondContact O-N 3.13Å; R4-N202 WeakPolarHBondContact CD-O 3.39Å; R4-N202 PolarHBondContact NH1-O 3.43Å; R4-V204 VanDerWaalsContact CD-O 3.24Å; R4-V204 WeakPolarHBondContact CD-O 3.28Å; R4-R205 HydrophobicContact CB-CG 4.25Å; R4-P224 PolarHBondContact NH2-O 3.31Å; R4-D227 WeakPolarHBondContact CD-OD2 3.2Å; R4-D227 IonicContact CZ-OD1 2.73Å; R4-D227 IonicContact NE-OD1 3.05Å; R4-D227 PolarHBondContact NE-OD1 3.3Å; R4-D227 IonicContact NE-OD2 2.79Å; R4-D227 PolarHBondContact NE-OD2 3.27Å; R4-D227 IonicContact NH2-OD1 3.94Å; R4-D227 PolarHBondContact NH2-OD1 3.15Å |
| 5 | K | 95.9 | Very high | 90.7 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 130.4 | 177.4 | -165.7 | 178 | -180 | -168.6 | 0 | 109.3 | T3 E35 S36 D38 R205 | T3-K5 PolarHBondContact O-N 3.25Å; K5-E35 WeakPolarHBondContact CE-O 3.26Å; K5-E35 PolarHBondContact NZ-O 3.31Å; K5-S36 VanDerWaalsContact CE-C 3.44Å; K5-S36 WeakPolarHBondContact CG-O 3.42Å; K5-D38 WeakPolarHBondContact CD-OD1 3.37Å; K5-D38 VanDerWaalsContact CE-OD1 3.24Å; K5-D38 WeakPolarHBondContact CE-OD1 3.43Å; K5-D38 IonicContact NZ-OD1 2.64Å; K5-D38 PolarHBondContact NZ-OD1 3.06Å; K5-R205 WeakPolarHBondContact O-CD 3.49Å |
| 6 | F | 97.7 | Very high | 91 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 142.9 | -179.6 | -156.7 | -113.8 | 0 | 0 | 0 | 109.6 | R4 V8 V37 D38 A221 D227 G228 F229 A246 K247 | R4-F6 PolarHBondContact O-N 3.13Å; F6-V8 HydrophobicContact CD1-CG2 4.01Å; F6-V8 HydrophobicContact CE1-CG2 3.86Å; F6-V37 HydrophobicContact CB-CG2 4.29Å; F6-V37 HydrophobicContact CD1-CG1 4.28Å; F6-V37 HydrophobicContact CD1-CG2 4.45Å; F6-V37 CarbonylContact O-C 3.6Å; F6-V37 WeakPolarHBondContact O-CA 3.49Å; F6-D38 PolarHBondContact O-N 2.92Å; F6-A221 HydrophobicContact CE2-CB 4.28Å; F6-A221 HydrophobicContact CZ-CB 3.86Å; F6-D227 CarbonylContact C-O 3.6Å; F6-D227 WeakPolarHBondContact CA-O 3.31Å; F6-D227 VanDerWaalsContact CD2-O 3.25Å; F6-D227 WeakPolarHBondContact CD2-O 3.18Å; F6-D227 VanDerWaalsContact CE2-C 3.5Å; F6-G228 VanDerWaalsContact CE2-N 3.34Å; F6-F229 HydrophobicContact CE1-CD2 4.08Å; F6-F229 AromaticContact CE1-CE2 3.93Å; F6-F229 HydrophobicContact CE1-CE2 3.93Å; F6-F229 AromaticContact CZ-CD2 3.99Å; F6-F229 HydrophobicContact CZ-CD2 3.99Å; F6-F229 AromaticContact CZ-CE2 3.57Å; F6-F229 HydrophobicContact CZ-CE2 3.57Å; F6-F229 HydrophobicContact CZ-CZ 4.04Å; F6-A246 HydrophobicContact CE1-CB 4.43Å; F6-K247 HydrophobicContact CB-CD 4.49Å; F6-K247 HydrophobicContact CD1-CB 4.48Å; F6-K247 HydrophobicContact CD1-CG 4.46Å; F6-K247 HydrophobicContact CD2-CD 3.56Å; F6-K247 HydrophobicContact CD2-CG 3.97Å; F6-K247 HydrophobicContact CE1-CG 4.45Å; F6-K247 HydrophobicContact CE2-CD 3.87Å; F6-K247 HydrophobicContact CE2-CG 3.94Å; F6-K247 HydrophobicContact CG-CB 4.45Å; F6-K247 HydrophobicContact CG-CD 4.06Å; F6-K247 HydrophobicContact CG-CG 4.23Å; F6-K247 HydrophobicContact CZ-CG 4.19Å |
| 7 | I | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.2 | -179.4 | -175.1 | 176.9 | 0 | 0 | 0 | 111.4 | D38 V40 W90 V161 R205 M207 D227 G228 F229 | I7-D38 CarbonylContact C-O 3.52Å; I7-D38 VanDerWaalsContact CA-O 3.27Å; I7-D38 WeakPolarHBondContact CA-O 3.5Å; I7-D38 HydrophobicContact CB-CB 4.17Å; I7-D38 HydrophobicContact CD1-CB 4.4Å; I7-D38 HydrophobicContact CG1-CB 3.92Å; I7-V40 HydrophobicContact CD1-CG2 4.1Å; I7-V40 HydrophobicContact CG1-CG2 4.36Å; I7-W90 HydrophobicContact CD1-CH2 4.19Å; I7-W90 HydrophobicContact CD1-CZ2 4.34Å; I7-V161 HydrophobicContact CD1-CG2 4.09Å; I7-V161 HydrophobicContact CG2-CG1 4.2Å; I7-R205 HydrophobicContact CG2-CB 4.33Å; I7-M207 HydrophobicContact CB-CE 4.42Å; I7-M207 HydrophobicContact CD1-SD 4.42Å; I7-M207 HydrophobicContact CG1-CE 4.11Å; I7-M207 HydrophobicContact CG1-SD 4.49Å; I7-M207 HydrophobicContact CG2-CE 3.89Å; I7-M207 HydrophobicContact CG2-CG 3.65Å; I7-M207 HydrophobicContact CG2-SD 3.8Å; I7-M207 WeakPolarHBondContact O-CE 3.48Å; I7-D227 PolarHBondContact N-O 3.2Å; I7-G228 CarbonylContact O-C 3.25Å; I7-G228 WeakPolarHBondContact O-CA 3.4Å; I7-F229 PolarHBondContact O-N 3.14Å |
| 8 | V | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | F6 V37 D38 V39 V40 F229 V231 F240 I243 V244 | F6-V8 HydrophobicContact CD1-CG2 4.01Å; F6-V8 HydrophobicContact CE1-CG2 3.86Å; V8-V37 HydrophobicContact CG2-CG1 4.14Å; V8-D38 PolarHBondContact N-O 3.49Å; V8-V39 WeakPolarHBondContact O-CA 3.38Å; V8-V40 PolarHBondContact O-N 3.13Å; V8-F229 CarbonylContact C-O 3.41Å; V8-F229 WeakPolarHBondContact CA-O 3.28Å; V8-F229 HydrophobicContact CG2-CD2 4.38Å; V8-V231 HydrophobicContact CG1-CG2 4.17Å; V8-F240 HydrophobicContact CG1-CD2 4.44Å; V8-F240 HydrophobicContact CG1-CE2 3.5Å; V8-F240 HydrophobicContact CG1-CZ 3.67Å; V8-I243 HydrophobicContact CG1-CG2 4.16Å; V8-V244 HydrophobicContact CB-CG2 4.12Å; V8-V244 HydrophobicContact CG1-CG2 4Å |
| 9 | G | 98.7 | Very high | 92 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | V40 F229 V231 | G9-V40 CarbonylContact C-O 3.57Å; G9-V40 VanDerWaalsContact CA-O 3.25Å; G9-V40 WeakPolarHBondContact CA-O 3.29Å; G9-F229 PolarHBondContact N-O 3.48Å; G9-V231 PolarHBondContact O-N 3.16Å |
| 10 | G | 98.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 103.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | W12 V40 A42 S235 | G10-W12 PolarHBondContact O-N 3.15Å; G10-V40 PolarHBondContact N-O 2.84Å; G10-A42 PolarHBondContact O-N 3.15Å; G10-S235 VanDerWaalsContact CA-CB 3.44Å |
| 11 | N | 98.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 102.5 | 172.6 | -178.4 | 8.9 | 0 | 0 | 0 | 109.5 | K13 I92 H95 L230 V231 | N11-K13 PolarHBondContact O-N 3.34Å; N11-K13 PolarHBondContact OD1-N 2.97Å; N11-I92 HydrophobicContact CB-CD1 3.94Å; N11-H95 PolarHBondContact ND2-NE2 3.42Å; N11-L230 HydrophobicContact CB-CD1 4.18Å; N11-V231 PolarHBondContact N-O 3.15Å |
| 12 | W | 98.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | trans | -74 | -12.6 | -177.4 | -59.9 | -2.9 | 0 | 0 | 0 | 112.6 | G10 N15 V21 I24 L28 V41 A42 P43 V51 L236 | G10-W12 PolarHBondContact O-N 3.15Å; W12-N15 WeakPolarHBondContact O-CB 3.3Å; W12-N15 PolarHBondContact O-N 3.47Å; W12-N15 PolarHBondContact O-ND2 3.2Å; W12-V21 HydrophobicContact CZ3-CG1 4.12Å; W12-V21 HydrophobicContact CZ3-CG2 4.08Å; W12-I24 HydrophobicContact CD2-CD1 4.32Å; W12-I24 HydrophobicContact CE3-CD1 4.32Å; W12-I24 HydrophobicContact CH2-CB 4.26Å; W12-I24 HydrophobicContact CH2-CG2 3.75Å; W12-I24 HydrophobicContact CZ2-CB 4.26Å; W12-I24 HydrophobicContact CZ2-CG2 3.31Å; W12-I24 HydrophobicContact CZ3-CD1 4.46Å; W12-L28 HydrophobicContact CZ2-CD1 4.36Å; W12-V41 HydrophobicContact CZ2-CB 3.88Å; W12-V41 HydrophobicContact CZ2-CG1 4.18Å; W12-V41 HydrophobicContact CZ2-CG2 4.19Å; W12-A42 PolarHBondContact N-O 3.41Å; W12-A42 VanDerWaalsContact N-O 3.14Å; W12-P43 HydrophobicContact CD2-CB 4.12Å; W12-P43 HydrophobicContact CE3-CB 3.37Å; W12-P43 HydrophobicContact CH2-CB 4.29Å; W12-P43 HydrophobicContact CZ3-CB 3.49Å; W12-P43 VanDerWaalsContact CZ3-CB 3.49Å; W12-V51 HydrophobicContact CH2-CG1 4.31Å; W12-V51 HydrophobicContact CH2-CG2 3.62Å; W12-V51 HydrophobicContact CZ3-CG2 3.59Å; W12-L236 HydrophobicContact CB-CD2 3.69Å; W12-L236 HydrophobicContact CD2-CD2 4.45Å; W12-L236 HydrophobicContact CG-CD2 3.73Å | ||
| 13 | K | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | trans | 51.1 | -149.4 | -175 | -55 | -176.2 | 176.3 | -165.1 | 0 | 110.6 | N11 N15 P44 Q64 E97 | N11-K13 PolarHBondContact O-N 3.34Å; N11-K13 PolarHBondContact OD1-N 2.97Å; K13-N15 PolarHBondContact O-N 2.78Å; K13-N15 VanDerWaalsContact O-N 3.1Å; K13-P44 VanDerWaalsContact O-CG 3.28Å; K13-P44 WeakPolarHBondContact O-CG 3.32Å; K13-Q64 VanDerWaalsContact N-NE2 3.1Å; K13-Q64 PolarHBondContact O-NE2 3.38Å; K13-Q64 PolarHBondContact O-OE1 2.91Å; K13-E97 WeakPolarHBondContact CD-OE1 3.47Å; K13-E97 VanDerWaalsContact CE-OE1 3.28Å; K13-E97 WeakPolarHBondContact CE-OE1 2.81Å; K13-E97 IonicContact NZ-OE1 3.81Å; K13-E97 PolarHBondContact NZ-OE1 3.21Å | ||
| 14 | M | 98.2 | Very high | 97.7 | Very high | 179 Ų | 179 | 46.9 Ų | 46.9 | 88% | 0.882 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -85 | 58.1 | 176 | -162.8 | 177.4 | 76.7 | 0 | 0 | 111.7 | ||
| 15 | N | 98.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | trans | -125.3 | 149.4 | 177 | -62.9 | -87.6 | 0 | 0 | 0 | 111.7 | W12 K13 P44 L236 | W12-N15 WeakPolarHBondContact O-CB 3.3Å; W12-N15 PolarHBondContact O-N 3.47Å; W12-N15 PolarHBondContact O-ND2 3.2Å; K13-N15 PolarHBondContact O-N 2.78Å; K13-N15 VanDerWaalsContact O-N 3.1Å; N15-P44 WeakPolarHBondContact O-CG 3.46Å; N15-L236 HydrophobicContact CB-CD1 3.77Å; N15-L236 HydrophobicContact CB-CD2 4.4Å | ||
| 16 | G | 94.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 45 Ų | 45 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | 118.2 | 156.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y47 | G16-Y47 PolarHBondContact O-OH 3.23Å; G16-Y47 VanDerWaalsContact O-OH 3.13Å | ||
| 17 | D | 97.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | trans | -127.3 | 176.9 | 156.9 | 59.5 | 39.3 | 0 | 0 | 0 | 107.2 | K19 M20 V21 | D17-K19 PolarHBondContact O-N 3.19Å; D17-K19 WeakPolarHBondContact OD1-CA 3.4Å; D17-K19 WeakPolarHBondContact OD1-CB 3.41Å; D17-K19 PolarHBondContact OD1-N 3.48Å; D17-M20 PolarHBondContact O-N 2.98Å; D17-M20 PolarHBondContact OD1-N 2.82Å; D17-V21 WeakPolarHBondContact O-CB 3.31Å; D17-V21 VanDerWaalsContact O-CG2 3.31Å; D17-V21 WeakPolarHBondContact O-CG2 3.49Å; D17-V21 PolarHBondContact O-N 3.12Å | ||
| 18 | S | 97.2 | Very high | 97.8 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.1 | -37 | -179.1 | -68.4 | 0 | 0 | 0 | 0 | 113 | V21 D22 Q50 | S18-V21 PolarHBondContact O-N 3.02Å; S18-D22 VanDerWaalsContact O-CG 3.26Å; S18-D22 PolarHBondContact O-N 3.06Å; S18-Q50 PolarHBondContact O-NE2 3.42Å; S18-Q50 PolarHBondContact OG-OE1 2.94Å |
| 19 | K | 97.9 | Very high | 97.7 | Very high | 177 Ų | 177 | 49.2 Ų | 49.2 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.5 | -42.5 | -179.7 | -177.9 | -178.4 | 178.3 | -178.2 | 0 | 111.7 | D17 V21 D22 G23 | D17-K19 PolarHBondContact O-N 3.19Å; D17-K19 WeakPolarHBondContact OD1-CA 3.4Å; D17-K19 WeakPolarHBondContact OD1-CB 3.41Å; D17-K19 PolarHBondContact OD1-N 3.48Å; K19-V21 VanDerWaalsContact C-N 3.34Å; K19-D22 PolarHBondContact O-N 2.7Å; K19-G23 PolarHBondContact O-N 3.27Å |
| 20 | M | 97.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 175.8 | -178.6 | 172.7 | 176.4 | 0 | 0 | 111 | D17 G23 I24 L236 | D17-M20 PolarHBondContact O-N 2.98Å; D17-M20 PolarHBondContact OD1-N 2.82Å; M20-G23 PolarHBondContact O-N 3.03Å; M20-I24 HydrophobicContact CE-CD1 4.21Å; M20-I24 HydrophobicContact CG-CD1 4.16Å; M20-I24 WeakPolarHBondContact O-CG1 3.36Å; M20-I24 PolarHBondContact O-N 2.73Å; M20-L236 HydrophobicContact CE-CB 3.77Å; M20-L236 HydrophobicContact CE-CD1 3.92Å; M20-L236 HydrophobicContact CE-CD2 4.15Å; M20-L236 HydrophobicContact CE-CG 4.16Å |
| 21 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.7 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | W12 D17 S18 K19 G23 I24 V25 Y47 Q50 V51 | W12-V21 HydrophobicContact CZ3-CG1 4.12Å; W12-V21 HydrophobicContact CZ3-CG2 4.08Å; D17-V21 WeakPolarHBondContact O-CB 3.31Å; D17-V21 VanDerWaalsContact O-CG2 3.31Å; D17-V21 WeakPolarHBondContact O-CG2 3.49Å; D17-V21 PolarHBondContact O-N 3.12Å; S18-V21 PolarHBondContact O-N 3.02Å; K19-V21 VanDerWaalsContact C-N 3.34Å; V21-G23 VanDerWaalsContact C-N 3.3Å; V21-G23 PolarHBondContact O-N 3.3Å; V21-I24 PolarHBondContact O-N 3.3Å; V21-I24 VanDerWaalsContact O-N 3.15Å; V21-V25 WeakPolarHBondContact O-CG2 3.23Å; V21-V25 PolarHBondContact O-N 3.08Å; V21-Y47 HydrophobicContact CG2-CD1 4.22Å; V21-Y47 HydrophobicContact CG2-CD2 4Å; V21-Y47 HydrophobicContact CG2-CG 3.78Å; V21-Q50 HydrophobicContact CG1-CG 4.19Å; V21-V51 HydrophobicContact CG1-CG2 3.55Å |
| 22 | D | 97.5 | Very high | 96.6 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.4 | -69.8 | -25.9 | 0 | 0 | 0 | 111.4 | S18 K19 I24 V25 N26 Q50 | S18-D22 VanDerWaalsContact O-CG 3.26Å; S18-D22 PolarHBondContact O-N 3.06Å; K19-D22 PolarHBondContact O-N 2.7Å; D22-I24 VanDerWaalsContact C-N 3.32Å; D22-I24 PolarHBondContact O-N 3.27Å; D22-V25 PolarHBondContact O-N 3.12Å; D22-N26 VanDerWaalsContact O-CB 3.26Å; D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 PolarHBondContact O-N 3.25Å; D22-N26 PolarHBondContact O-ND2 2.74Å; D22-N26 VanDerWaalsContact O-ND2 3.13Å; D22-Q50 PolarHBondContact OD1-NE2 3.33Å; D22-Q50 PolarHBondContact OD2-NE2 3.33Å |
| 23 | G | 98 | Very high | 96.4 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | K19 M20 V21 N26 F27 | K19-G23 PolarHBondContact O-N 3.27Å; M20-G23 PolarHBondContact O-N 3.03Å; V21-G23 VanDerWaalsContact C-N 3.3Å; V21-G23 PolarHBondContact O-N 3.3Å; G23-N26 PolarHBondContact O-N 3.44Å; G23-F27 VanDerWaalsContact O-CD1 3.3Å; G23-F27 WeakPolarHBondContact O-CD1 3.34Å; G23-F27 PolarHBondContact O-N 2.81Å |
| 24 | I | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -49.8 | 177.5 | -66 | 163.7 | 0 | 0 | 0 | 111 | W12 M20 V21 D22 N26 F27 L28 L236 | W12-I24 HydrophobicContact CD2-CD1 4.32Å; W12-I24 HydrophobicContact CE3-CD1 4.32Å; W12-I24 HydrophobicContact CH2-CB 4.26Å; W12-I24 HydrophobicContact CH2-CG2 3.75Å; W12-I24 HydrophobicContact CZ2-CB 4.26Å; W12-I24 HydrophobicContact CZ2-CG2 3.31Å; W12-I24 HydrophobicContact CZ3-CD1 4.46Å; M20-I24 HydrophobicContact CE-CD1 4.21Å; M20-I24 HydrophobicContact CG-CD1 4.16Å; M20-I24 WeakPolarHBondContact O-CG1 3.36Å; M20-I24 PolarHBondContact O-N 2.73Å; V21-I24 PolarHBondContact O-N 3.3Å; V21-I24 VanDerWaalsContact O-N 3.15Å; D22-I24 VanDerWaalsContact C-N 3.32Å; D22-I24 PolarHBondContact O-N 3.27Å; I24-N26 VanDerWaalsContact C-N 3.26Å; I24-N26 PolarHBondContact O-N 2.94Å; I24-F27 VanDerWaalsContact CA-CE1 3.4Å; I24-F27 HydrophobicContact CB-CE1 3.95Å; I24-F27 HydrophobicContact CB-CZ 4.2Å; I24-F27 HydrophobicContact CG1-CE1 3.87Å; I24-F27 HydrophobicContact CG1-CZ 4.27Å; I24-F27 HydrophobicContact CG2-CE1 4Å; I24-F27 HydrophobicContact CG2-CE2 4.41Å; I24-F27 HydrophobicContact CG2-CZ 3.71Å; I24-F27 WeakPolarHBondContact O-CG 3.32Å; I24-F27 PolarHBondContact O-N 3.16Å; I24-L28 HydrophobicContact CG2-CD1 3.8Å; I24-L28 HydrophobicContact CG2-CG 4.38Å; I24-L28 VanDerWaalsContact O-CG 3.32Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.26Å; I24-L28 VanDerWaalsContact O-N 3.08Å; I24-L236 HydrophobicContact CD1-CB 4.45Å; I24-L236 HydrophobicContact CD1-CD2 3.86Å |
| 25 | V | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | V21 D22 F27 L28 N29 V51 H54 L55 | V21-V25 WeakPolarHBondContact O-CG2 3.23Å; V21-V25 PolarHBondContact O-N 3.08Å; D22-V25 PolarHBondContact O-N 3.12Å; V25-F27 PolarHBondContact O-N 3.13Å; V25-L28 PolarHBondContact O-N 2.93Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.46Å; V25-N29 WeakPolarHBondContact O-CB 3.5Å; V25-N29 VanDerWaalsContact O-CG 3.24Å; V25-N29 PolarHBondContact O-N 3.48Å; V25-V51 HydrophobicContact CG2-CG1 4.34Å; V25-V51 HydrophobicContact CG2-CG2 4.33Å; V25-H54 HydrophobicContact CG1-CB 3.69Å; V25-L55 HydrophobicContact CG1-CB 4.38Å; V25-L55 HydrophobicContact CG1-CD1 4.34Å; V25-L55 HydrophobicContact CG2-CD1 4.45Å |
| 26 | N | 97.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 64.9 Ų | 64.9 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 178.8 | -76.7 | -25 | 0 | 0 | 0 | 112.5 | D22 G23 I24 L28 N29 K30 | D22-N26 VanDerWaalsContact O-CB 3.26Å; D22-N26 WeakPolarHBondContact O-CB 3.41Å; D22-N26 PolarHBondContact O-N 3.25Å; D22-N26 PolarHBondContact O-ND2 2.74Å; D22-N26 VanDerWaalsContact O-ND2 3.13Å; G23-N26 PolarHBondContact O-N 3.44Å; I24-N26 VanDerWaalsContact C-N 3.26Å; I24-N26 PolarHBondContact O-N 2.94Å; N26-L28 VanDerWaalsContact C-N 3.35Å; N26-N29 PolarHBondContact O-N 2.93Å; N26-K30 WeakPolarHBondContact O-CB 3.29Å; N26-K30 PolarHBondContact O-N 2.85Å; N26-K30 VanDerWaalsContact O-N 3.13Å |
| 27 | F | 96.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.3 | -30.2 | 178.3 | 74.2 | -117.5 | 0 | 0 | 0 | 112.6 | G23 I24 V25 N29 K30 K237 P238 F240 I241 | G23-F27 VanDerWaalsContact O-CD1 3.3Å; G23-F27 WeakPolarHBondContact O-CD1 3.34Å; G23-F27 PolarHBondContact O-N 2.81Å; I24-F27 VanDerWaalsContact CA-CE1 3.4Å; I24-F27 HydrophobicContact CB-CE1 3.95Å; I24-F27 HydrophobicContact CB-CZ 4.2Å; I24-F27 HydrophobicContact CG1-CE1 3.87Å; I24-F27 HydrophobicContact CG1-CZ 4.27Å; I24-F27 HydrophobicContact CG2-CE1 4Å; I24-F27 HydrophobicContact CG2-CE2 4.41Å; I24-F27 HydrophobicContact CG2-CZ 3.71Å; I24-F27 WeakPolarHBondContact O-CG 3.32Å; I24-F27 PolarHBondContact O-N 3.16Å; V25-F27 PolarHBondContact O-N 3.13Å; F27-N29 VanDerWaalsContact C-N 3.32Å; F27-K30 PolarHBondContact O-N 2.85Å; F27-K237 VanDerWaalsContact CZ-C 3.49Å; F27-K237 VanDerWaalsContact CZ-O 3.28Å; F27-K237 WeakPolarHBondContact CZ-O 3.2Å; F27-P238 HydrophobicContact CD1-CG 4.1Å; F27-P238 HydrophobicContact CG-CB 4.46Å; F27-P238 HydrophobicContact CG-CG 4.41Å; F27-F240 HydrophobicContact CE2-CB 4.32Å; F27-I241 HydrophobicContact CD2-CD1 4.2Å; F27-I241 HydrophobicContact CD2-CG1 4.11Å |
| 28 | L | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 174.7 | -73.4 | 172.6 | 0 | 0 | 0 | 112.3 | W12 I24 V25 N26 V41 L55 I59 F240 I241 | W12-L28 HydrophobicContact CZ2-CD1 4.36Å; I24-L28 HydrophobicContact CG2-CD1 3.8Å; I24-L28 HydrophobicContact CG2-CG 4.38Å; I24-L28 VanDerWaalsContact O-CG 3.32Å; I24-L28 WeakPolarHBondContact O-CG 3.49Å; I24-L28 PolarHBondContact O-N 3.26Å; I24-L28 VanDerWaalsContact O-N 3.08Å; V25-L28 PolarHBondContact O-N 2.93Å; N26-L28 VanDerWaalsContact C-N 3.35Å; L28-V41 HydrophobicContact CD1-CG1 3.88Å; L28-L55 HydrophobicContact CB-CD1 4.06Å; L28-L55 HydrophobicContact CD1-CD1 3.8Å; L28-I59 HydrophobicContact CB-CD1 3.88Å; L28-I59 HydrophobicContact CD2-CD1 4.47Å; L28-F240 HydrophobicContact CD2-CD1 3.79Å; L28-F240 HydrophobicContact CD2-CE1 4.04Å; L28-I241 HydrophobicContact CD2-CD1 4.07Å |
| 29 | N | 96.7 | Very high | 96 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -83.7 | -15.9 | 179.1 | -70 | -8 | 0 | 0 | 0 | 113.7 | V25 N26 F27 E31 H54 F56 | V25-N29 WeakPolarHBondContact CG1-ND2 3.46Å; V25-N29 WeakPolarHBondContact O-CB 3.5Å; V25-N29 VanDerWaalsContact O-CG 3.24Å; V25-N29 PolarHBondContact O-N 3.48Å; N26-N29 PolarHBondContact O-N 2.93Å; F27-N29 VanDerWaalsContact C-N 3.32Å; N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact O-N 3.18Å; N29-H54 PolarHBondContact ND2-O 3.43Å; N29-F56 VanDerWaalsContact OD1-CB 3.31Å; N29-F56 WeakPolarHBondContact OD1-CB 3.44Å; N29-F56 PolarHBondContact OD1-N 3.17Å |
| 30 | K | 94.9 | Very high | 96 | Very high | 167 Ų | 167 | 51 Ų | 51 | 73% | 0.726 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -63.8 | -35.1 | -168.7 | -172.6 | 176.5 | 178.4 | -177.2 | 0 | 113.2 | N26 F27 | N26-K30 WeakPolarHBondContact O-CB 3.29Å; N26-K30 PolarHBondContact O-N 2.85Å; N26-K30 VanDerWaalsContact O-N 3.13Å; F27-K30 PolarHBondContact O-N 2.85Å |
| 31 | E | 87.2 | Confident | 96.1 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -132.1 | 146.6 | -176.5 | -66.9 | -178.7 | -167 | 0 | 0 | 111.4 | N29 L33 K245 | N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact O-N 3.18Å; E31-L33 PolarHBondContact O-N 3.47Å; E31-K245 IonicContact OE2-NZ 2.73Å; E31-K245 PolarHBondContact OE2-NZ 3.18Å |
| 32 | P | 90.4 | Very high | 96.1 | Very high | 121 Ų | 121 | 48 Ų | 48 | 79% | 0.786 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 130.8 | 169.8 | -23 | 33.4 | 0 | 0 | 0 | 111.5 | ||
| 33 | L | 93.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 144 | 173.8 | -58.4 | -179.5 | 0 | 0 | 0 | 110.4 | E31 E35 V39 K58 I59 I241 V244 | E31-L33 PolarHBondContact O-N 3.47Å; L33-E35 PolarHBondContact O-N 3.42Å; L33-V39 HydrophobicContact CD1-CB 4.17Å; L33-V39 HydrophobicContact CD1-CG1 4.19Å; L33-V39 HydrophobicContact CD1-CG2 3.94Å; L33-K58 PolarHBondContact O-NZ 3.44Å; L33-I59 HydrophobicContact CD1-CD1 3.62Å; L33-I59 HydrophobicContact CD1-CG1 3.71Å; L33-I241 HydrophobicContact CD2-CD1 3.9Å; L33-V244 HydrophobicContact CD2-CG1 4.13Å |
| 34 | P | 94.5 | Very high | 96.2 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -54 | 132.8 | -178 | -24 | 32.6 | 0 | 0 | 0 | 112.9 | S36 V37 K245 V248 | P34-S36 PolarHBondContact O-N 3.47Å; P34-V37 HydrophobicContact CB-CG2 4.06Å; P34-V37 HydrophobicContact CG-CG2 4.47Å; P34-V37 PolarHBondContact O-N 3.43Å; P34-V37 VanDerWaalsContact O-N 3.16Å; P34-K245 HydrophobicContact CG-CG 3.98Å; P34-V248 HydrophobicContact CB-CG2 3.83Å; P34-V248 HydrophobicContact CG-CB 4.46Å; P34-V248 HydrophobicContact CG-CG2 3.79Å |
| 35 | E | 94.2 | Very high | 96.2 | Very high | 142 Ų | 142 | 47.2 Ų | 47.2 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.7 | 176.1 | -67.8 | -62.5 | 151.9 | 0 | 0 | 113.1 | K5 L33 V37 K58 | K5-E35 WeakPolarHBondContact CE-O 3.26Å; K5-E35 PolarHBondContact NZ-O 3.31Å; L33-E35 PolarHBondContact O-N 3.42Å; E35-V37 PolarHBondContact O-N 3.18Å; E35-K58 WeakPolarHBondContact OE1-CE 3.37Å; E35-K58 IonicContact OE1-NZ 2.63Å; E35-K58 PolarHBondContact OE1-NZ 3.4Å; E35-K58 WeakPolarHBondContact OE2-CE 3.28Å; E35-K58 IonicContact OE2-NZ 2.8Å; E35-K58 PolarHBondContact OE2-NZ 2.88Å |
| 36 | S | 94.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -1.6 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | K5 P34 | K5-S36 VanDerWaalsContact CE-C 3.44Å; K5-S36 WeakPolarHBondContact CG-O 3.42Å; P34-S36 PolarHBondContact O-N 3.47Å |
| 37 | V | 97 | Very high | 96.2 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.6 | -176.8 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | F6 V8 P34 E35 V39 V244 | F6-V37 HydrophobicContact CB-CG2 4.29Å; F6-V37 HydrophobicContact CD1-CG1 4.28Å; F6-V37 HydrophobicContact CD1-CG2 4.45Å; F6-V37 CarbonylContact O-C 3.6Å; F6-V37 WeakPolarHBondContact O-CA 3.49Å; V8-V37 HydrophobicContact CG2-CG1 4.14Å; P34-V37 HydrophobicContact CB-CG2 4.06Å; P34-V37 HydrophobicContact CG-CG2 4.47Å; P34-V37 PolarHBondContact O-N 3.43Å; P34-V37 VanDerWaalsContact O-N 3.16Å; E35-V37 PolarHBondContact O-N 3.18Å; V37-V39 HydrophobicContact CG1-CG2 4.01Å; V37-V244 HydrophobicContact CG1-CG1 4.18Å |
| 38 | D | 97.7 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.8 | 165.5 | -73 | -19.9 | 0 | 0 | 0 | 108.9 | K5 F6 I7 V8 R205 | K5-D38 WeakPolarHBondContact CD-OD1 3.37Å; K5-D38 VanDerWaalsContact CE-OD1 3.24Å; K5-D38 WeakPolarHBondContact CE-OD1 3.43Å; K5-D38 IonicContact NZ-OD1 2.64Å; K5-D38 PolarHBondContact NZ-OD1 3.06Å; F6-D38 PolarHBondContact O-N 2.92Å; I7-D38 CarbonylContact C-O 3.52Å; I7-D38 VanDerWaalsContact CA-O 3.27Å; I7-D38 WeakPolarHBondContact CA-O 3.5Å; I7-D38 HydrophobicContact CB-CB 4.17Å; I7-D38 HydrophobicContact CD1-CB 4.4Å; I7-D38 HydrophobicContact CG1-CB 3.92Å; V8-D38 PolarHBondContact N-O 3.49Å; D38-R205 IonicContact OD2-CZ 2.82Å; D38-R205 IonicContact OD2-NH1 2.67Å; D38-R205 PolarHBondContact OD2-NH1 3.13Å |
| 39 | V | 98.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.5 | 179.4 | -173 | 0 | 0 | 0 | 0 | 109.2 | V8 L33 V37 I59 A60 F240 V244 | V8-V39 WeakPolarHBondContact O-CA 3.38Å; L33-V39 HydrophobicContact CD1-CB 4.17Å; L33-V39 HydrophobicContact CD1-CG1 4.19Å; L33-V39 HydrophobicContact CD1-CG2 3.94Å; V37-V39 HydrophobicContact CG1-CG2 4.01Å; V39-I59 HydrophobicContact CB-CG2 4.33Å; V39-I59 HydrophobicContact CG1-CG2 4.02Å; V39-A60 PolarHBondContact O-N 3.07Å; V39-F240 HydrophobicContact CG1-CE1 4.25Å; V39-V244 HydrophobicContact CG1-CG2 4.14Å; V39-V244 HydrophobicContact CG2-CG1 3.65Å; V39-V244 HydrophobicContact CG2-CG2 4.07Å |
| 40 | V | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.5 | -177.8 | -167.7 | 0 | 0 | 0 | 0 | 109.1 | I7 V8 G9 G10 A60 A62 W90 | I7-V40 HydrophobicContact CD1-CG2 4.1Å; I7-V40 HydrophobicContact CG1-CG2 4.36Å; V8-V40 PolarHBondContact O-N 3.13Å; G9-V40 CarbonylContact C-O 3.57Å; G9-V40 VanDerWaalsContact CA-O 3.25Å; G9-V40 WeakPolarHBondContact CA-O 3.29Å; G10-V40 PolarHBondContact N-O 2.84Å; V40-A60 CarbonylContact C-O 3.33Å; V40-A60 WeakPolarHBondContact CA-O 3.18Å; V40-A60 HydrophobicContact CB-CB 4.5Å; V40-A60 HydrophobicContact CG1-CB 4.29Å; V40-A60 HydrophobicContact CG2-CB 4.16Å; V40-A62 HydrophobicContact CG1-CB 3.76Å; V40-W90 HydrophobicContact CG1-CB 3.92Å; V40-W90 HydrophobicContact CG1-CG 3.87Å; V40-W90 HydrophobicContact CG2-CD2 4.36Å; V40-W90 HydrophobicContact CG2-CG 4.33Å |
| 41 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.6 | 172.3 | -63 | 0 | 0 | 0 | 0 | 111.1 | W12 L28 P43 V51 L55 I59 A60 M61 A62 | W12-V41 HydrophobicContact CZ2-CB 3.88Å; W12-V41 HydrophobicContact CZ2-CG1 4.18Å; W12-V41 HydrophobicContact CZ2-CG2 4.19Å; L28-V41 HydrophobicContact CD1-CG1 3.88Å; V41-P43 WeakPolarHBondContact O-CD 3.4Å; V41-V51 HydrophobicContact CG2-CG1 4.22Å; V41-L55 HydrophobicContact CG2-CD2 3.55Å; V41-I59 HydrophobicContact CG1-CG2 4.17Å; V41-I59 HydrophobicContact CG2-CG2 4.28Å; V41-A60 PolarHBondContact N-O 3.45Å; V41-M61 HydrophobicContact CG2-CG 4.35Å; V41-M61 WeakPolarHBondContact O-CA 3.23Å; V41-A62 PolarHBondContact O-N 3.07Å |
| 42 | A | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 84.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | G10 W12 A62 Q64 I92 | G10-A42 PolarHBondContact O-N 3.15Å; W12-A42 PolarHBondContact N-O 3.41Å; W12-A42 VanDerWaalsContact N-O 3.14Å; A42-A62 WeakPolarHBondContact CA-O 3.32Å; A42-A62 HydrophobicContact CB-CB 3.88Å; A42-Q64 HydrophobicContact CB-CG 3.94Å; A42-Q64 PolarHBondContact O-NE2 3.32Å; A42-I92 HydrophobicContact CB-CD1 3.53Å; A42-I92 HydrophobicContact CB-CG1 4.31Å |
| 43 | P | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -74.1 | 162.6 | 174.5 | 33.8 | -38.5 | 0 | 0 | 0 | 112.1 | W12 V41 L48 V51 Q64 | W12-P43 HydrophobicContact CD2-CB 4.12Å; W12-P43 HydrophobicContact CE3-CB 3.37Å; W12-P43 HydrophobicContact CH2-CB 4.29Å; W12-P43 HydrophobicContact CZ3-CB 3.49Å; W12-P43 VanDerWaalsContact CZ3-CB 3.49Å; V41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-L48 HydrophobicContact CG-CD2 3.48Å; P43-L48 VanDerWaalsContact CG-CD2 3.48Å; P43-L48 HydrophobicContact CG-CG 4.12Å; P43-V51 HydrophobicContact CB-CG2 3.98Å; P43-V51 HydrophobicContact CG-CB 4.34Å; P43-V51 HydrophobicContact CG-CG2 4.01Å; P43-Q64 PolarHBondContact O-NE2 2.91Å | ||
| 44 | P | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | trans | -53.9 | 147.4 | 163.4 | -20.1 | 26.3 | 0 | 0 | 0 | 112.1 | K13 N15 P46 Y47 L48 | K13-P44 VanDerWaalsContact O-CG 3.28Å; K13-P44 WeakPolarHBondContact O-CG 3.32Å; N15-P44 WeakPolarHBondContact O-CG 3.46Å; P44-P46 VanDerWaalsContact C-CD 3.41Å; P44-P46 VanDerWaalsContact C-N 3.34Å; P44-Y47 HydrophobicContact CB-CD2 3.77Å; P44-Y47 HydrophobicContact CB-CE2 4.15Å; P44-Y47 HydrophobicContact CG-CD2 3.71Å; P44-Y47 HydrophobicContact CG-CE2 4.03Å; P44-Y47 PolarHBondContact O-N 3.33Å; P44-L48 PolarHBondContact O-N 3.1Å | ||
| 45 | F | 98.5 | Very high | 97.3 | Very high | 69 Ų | 69 | 47 Ų | 47 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -51.2 | -41.9 | -178.8 | -57.2 | -52.8 | 0 | 0 | 0 | 114.9 | Y47 L48 N65 V78 L83 | F45-Y47 PolarHBondContact O-N 3.22Å; F45-Y47 VanDerWaalsContact O-N 3.07Å; F45-L48 HydrophobicContact CB-CD1 4.49Å; F45-L48 HydrophobicContact CD1-CD1 3.81Å; F45-L48 PolarHBondContact O-N 3.16Å; F45-N65 WeakPolarHBondContact CE1-O 3.07Å; F45-N65 HydrophobicContact CZ-CB 4.14Å; F45-N65 WeakPolarHBondContact CZ-O 3.15Å; F45-V78 HydrophobicContact CD1-CG2 4.22Å; F45-V78 HydrophobicContact CD2-CG2 3.87Å; F45-V78 HydrophobicContact CE1-CB 4.26Å; F45-V78 HydrophobicContact CE1-CG1 4.39Å; F45-V78 HydrophobicContact CE1-CG2 4.37Å; F45-V78 HydrophobicContact CE2-CB 4.36Å; F45-V78 HydrophobicContact CE2-CG2 4.01Å; F45-V78 HydrophobicContact CG-CG2 3.98Å; F45-V78 HydrophobicContact CZ-CB 4.16Å; F45-V78 HydrophobicContact CZ-CG2 4.26Å; F45-L83 HydrophobicContact CD1-CD2 4.22Å; F45-L83 HydrophobicContact CE1-CD2 4.02Å |
| 46 | P | 98.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 70% | 0.695 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -57.8 | -24.5 | 178.5 | -27.4 | 37 | 0 | 0 | 0 | 114.5 | P44 | P44-P46 VanDerWaalsContact C-CD 3.41Å; P44-P46 VanDerWaalsContact C-N 3.34Å |
| 47 | Y | 98.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 47 Ų | 47 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -103.9 | -2.5 | -174.7 | -51.7 | -57.3 | 0 | 0 | 0 | 113.8 | G16 V21 P44 F45 K49 Q50 V51 | G16-Y47 PolarHBondContact O-OH 3.23Å; G16-Y47 VanDerWaalsContact O-OH 3.13Å; V21-Y47 HydrophobicContact CG2-CD1 4.22Å; V21-Y47 HydrophobicContact CG2-CD2 4Å; V21-Y47 HydrophobicContact CG2-CG 3.78Å; P44-Y47 HydrophobicContact CB-CD2 3.77Å; P44-Y47 HydrophobicContact CB-CE2 4.15Å; P44-Y47 HydrophobicContact CG-CD2 3.71Å; P44-Y47 HydrophobicContact CG-CE2 4.03Å; P44-Y47 PolarHBondContact O-N 3.33Å; F45-Y47 PolarHBondContact O-N 3.22Å; F45-Y47 VanDerWaalsContact O-N 3.07Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.3Å; Y47-Q50 PolarHBondContact O-N 2.91Å; Y47-V51 WeakPolarHBondContact O-CG2 3.39Å; Y47-V51 PolarHBondContact O-N 3.17Å |
| 48 | L | 97.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.2 | -49.3 | -178.9 | -80 | 171.9 | 0 | 0 | 0 | 112.1 | P43 P44 F45 Q50 V51 R52 M61 L83 I86 | P43-L48 HydrophobicContact CG-CD2 3.48Å; P43-L48 VanDerWaalsContact CG-CD2 3.48Å; P43-L48 HydrophobicContact CG-CG 4.12Å; P44-L48 PolarHBondContact O-N 3.1Å; F45-L48 HydrophobicContact CB-CD1 4.49Å; F45-L48 HydrophobicContact CD1-CD1 3.81Å; F45-L48 PolarHBondContact O-N 3.16Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-Q50 PolarHBondContact O-N 3.37Å; L48-V51 PolarHBondContact O-N 3.43Å; L48-R52 PolarHBondContact O-N 3.13Å; L48-M61 HydrophobicContact CB-CE 4.13Å; L48-M61 HydrophobicContact CD2-CE 3.51Å; L48-M61 HydrophobicContact CG-CE 4.45Å; L48-M61 WeakPolarHBondContact O-CE 3.42Å; L48-L83 HydrophobicContact CD1-CD2 3.67Å; L48-I86 HydrophobicContact CB-CG2 4.34Å; L48-I86 HydrophobicContact CD1-CG2 4.38Å |
| 49 | K | 96.1 | Very high | 96.7 | Very high | 145 Ų | 145 | 48.5 Ų | 48.5 | 63% | 0.63 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.5 | -43.6 | -179.9 | -174.1 | 171.4 | -177.1 | 176.4 | 0 | 112 | Y47 V51 R52 S53 I86 | Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.3Å; K49-V51 VanDerWaalsContact C-N 3.35Å; K49-V51 PolarHBondContact O-N 2.92Å; K49-R52 PolarHBondContact O-N 2.64Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.09Å; K49-S53 PolarHBondContact O-OG 3.14Å; K49-I86 HydrophobicContact CB-CD1 4.11Å; K49-I86 HydrophobicContact CB-CG1 4.31Å; K49-I86 HydrophobicContact CD-CD1 4.33Å; K49-I86 HydrophobicContact CG-CD1 4.1Å |
| 50 | Q | 97 | Very high | 96.7 | Very high | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 177.5 | -176.6 | -176.3 | -20.5 | 0 | 0 | 111.2 | S18 V21 D22 Y47 L48 S53 H54 | S18-Q50 PolarHBondContact O-NE2 3.42Å; S18-Q50 PolarHBondContact OG-OE1 2.94Å; V21-Q50 HydrophobicContact CG1-CG 4.19Å; D22-Q50 PolarHBondContact OD1-NE2 3.33Å; D22-Q50 PolarHBondContact OD2-NE2 3.33Å; Y47-Q50 PolarHBondContact O-N 2.91Å; L48-Q50 VanDerWaalsContact C-N 3.35Å; L48-Q50 PolarHBondContact O-N 3.37Å; Q50-S53 PolarHBondContact O-N 2.92Å; Q50-H54 PolarHBondContact O-ND1 2.95Å |
| 51 | V | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.9 | -48.3 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | W12 V21 V25 V41 P43 Y47 L48 K49 S53 H54 L55 M61 | W12-V51 HydrophobicContact CH2-CG1 4.31Å; W12-V51 HydrophobicContact CH2-CG2 3.62Å; W12-V51 HydrophobicContact CZ3-CG2 3.59Å; V21-V51 HydrophobicContact CG1-CG2 3.55Å; V25-V51 HydrophobicContact CG2-CG1 4.34Å; V25-V51 HydrophobicContact CG2-CG2 4.33Å; V41-V51 HydrophobicContact CG2-CG1 4.22Å; P43-V51 HydrophobicContact CB-CG2 3.98Å; P43-V51 HydrophobicContact CG-CB 4.34Å; P43-V51 HydrophobicContact CG-CG2 4.01Å; Y47-V51 WeakPolarHBondContact O-CG2 3.39Å; Y47-V51 PolarHBondContact O-N 3.17Å; L48-V51 PolarHBondContact O-N 3.43Å; K49-V51 VanDerWaalsContact C-N 3.35Å; K49-V51 PolarHBondContact O-N 2.92Å; V51-S53 VanDerWaalsContact C-N 3.26Å; V51-S53 PolarHBondContact O-N 3.18Å; V51-H54 PolarHBondContact O-N 3.28Å; V51-H54 VanDerWaalsContact O-N 3.16Å; V51-L55 HydrophobicContact CG1-CB 3.99Å; V51-L55 HydrophobicContact CG1-CD2 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 PolarHBondContact O-N 2.93Å; V51-M61 HydrophobicContact CB-CE 4.29Å; V51-M61 HydrophobicContact CB-SD 4.31Å; V51-M61 HydrophobicContact CG1-CE 4.33Å; V51-M61 HydrophobicContact CG1-CG 4.14Å; V51-M61 HydrophobicContact CG1-SD 3.88Å |
| 52 | R | 96.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 49 Ų | 49 | 28% | 0.279 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59 | -36.2 | -179.1 | -174.5 | 59.6 | -100.7 | 168.4 | -9.1 | 113.4 | L48 K49 H54 M61 I86 | L48-R52 PolarHBondContact O-N 3.13Å; K49-R52 PolarHBondContact O-N 2.64Å; R52-H54 VanDerWaalsContact C-N 3.32Å; R52-M61 WeakPolarHBondContact CA-SD 3.14Å; R52-M61 HydrophobicContact CB-CE 3.92Å; R52-M61 HydrophobicContact CB-SD 3.52Å; R52-M61 VanDerWaalsContact CB-SD 3.52Å; R52-M61 HydrophobicContact CG-SD 4.19Å; R52-M61 PolarHBondContact N-SD 2.97Å; R52-I86 WeakPolarHBondContact CG-O 3.3Å |
| 53 | S | 95.7 | Very high | 96.7 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 59% | 0.587 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.2 | -27.7 | -179.4 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | K49 Q50 V51 | K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.09Å; K49-S53 PolarHBondContact O-OG 3.14Å; Q50-S53 PolarHBondContact O-N 2.92Å; V51-S53 VanDerWaalsContact C-N 3.26Å; V51-S53 PolarHBondContact O-N 3.18Å |
| 54 | H | 95.5 | Very high | 96.7 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -117 | -23 | -171.8 | -57.7 | 104.4 | 0 | 0 | 0 | 113.6 | V25 N29 Q50 V51 R52 | V25-H54 HydrophobicContact CG1-CB 3.69Å; N29-H54 PolarHBondContact ND2-O 3.43Å; Q50-H54 PolarHBondContact O-ND1 2.95Å; V51-H54 PolarHBondContact O-N 3.28Å; V51-H54 VanDerWaalsContact O-N 3.16Å; R52-H54 VanDerWaalsContact C-N 3.32Å |
| 55 | L | 96.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -72.7 | 135.9 | -176 | -171.6 | 70.9 | 0 | 0 | 0 | 111.6 | V25 L28 V41 V51 I59 M61 | V25-L55 HydrophobicContact CG1-CB 4.38Å; V25-L55 HydrophobicContact CG1-CD1 4.34Å; V25-L55 HydrophobicContact CG2-CD1 4.45Å; L28-L55 HydrophobicContact CB-CD1 4.06Å; L28-L55 HydrophobicContact CD1-CD1 3.8Å; V41-L55 HydrophobicContact CG2-CD2 3.55Å; V51-L55 HydrophobicContact CG1-CB 3.99Å; V51-L55 HydrophobicContact CG1-CD2 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 PolarHBondContact O-N 2.93Å; L55-I59 HydrophobicContact CD1-CB 4.22Å; L55-I59 HydrophobicContact CD1-CD1 3.79Å; L55-I59 HydrophobicContact CD1-CG2 4.28Å; L55-I59 HydrophobicContact CD2-CB 3.83Å; L55-I59 HydrophobicContact CD2-CG2 3.74Å; L55-I59 HydrophobicContact CG-CB 3.94Å; L55-I59 HydrophobicContact CG-CD1 4.35Å; L55-I59 HydrophobicContact CG-CG2 4.25Å; L55-M61 HydrophobicContact CD2-CG 3.95Å |
| 56 | F | 91.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 47.2 Ų | 47.2 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | trans | -53.3 | 128.3 | 176.8 | -173.1 | -119.7 | 0 | 0 | 0 | 110.6 | N29 K58 I59 | N29-F56 VanDerWaalsContact OD1-CB 3.31Å; N29-F56 WeakPolarHBondContact OD1-CB 3.44Å; N29-F56 PolarHBondContact OD1-N 3.17Å; F56-K58 HydrophobicContact CD1-CB 3.58Å; F56-K58 HydrophobicContact CE1-CB 3.45Å; F56-K58 VanDerWaalsContact CE1-CB 3.45Å; F56-K58 HydrophobicContact CE1-CD 4.08Å; F56-K58 HydrophobicContact CE1-CG 4.43Å; F56-K58 HydrophobicContact CZ-CB 4.47Å; F56-K58 PolarHBondContact O-N 2.86Å; F56-I59 HydrophobicContact CB-CD1 4.47Å; F56-I59 PolarHBondContact O-N 3.1Å | ||
| 57 | P | 90.9 | Very high | 96.8 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 62% | 0.623 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.9 | -168.7 | -28.3 | 34.9 | 0 | 0 | 0 | 116.3 | I59 | P57-I59 VanDerWaalsContact C-N 3.3Š|
| 58 | K | 92.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.9 | 177.5 | -168 | -179.7 | 169.7 | -162.2 | 0 | 113.3 | L33 E35 F56 | L33-K58 PolarHBondContact O-NZ 3.44Å; E35-K58 WeakPolarHBondContact OE1-CE 3.37Å; E35-K58 IonicContact OE1-NZ 2.63Å; E35-K58 PolarHBondContact OE1-NZ 3.4Å; E35-K58 WeakPolarHBondContact OE2-CE 3.28Å; E35-K58 IonicContact OE2-NZ 2.8Å; E35-K58 PolarHBondContact OE2-NZ 2.88Å; F56-K58 HydrophobicContact CD1-CB 3.58Å; F56-K58 HydrophobicContact CE1-CB 3.45Å; F56-K58 VanDerWaalsContact CE1-CB 3.45Å; F56-K58 HydrophobicContact CE1-CD 4.08Å; F56-K58 HydrophobicContact CE1-CG 4.43Å; F56-K58 HydrophobicContact CZ-CB 4.47Å; F56-K58 PolarHBondContact O-N 2.86Å |
| 59 | I | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -83.6 | 121.1 | 173.5 | -55 | 172.7 | 0 | 0 | 0 | 107.5 | L28 L33 V39 V41 L55 F56 P57 | L28-I59 HydrophobicContact CB-CD1 3.88Å; L28-I59 HydrophobicContact CD2-CD1 4.47Å; L33-I59 HydrophobicContact CD1-CD1 3.62Å; L33-I59 HydrophobicContact CD1-CG1 3.71Å; V39-I59 HydrophobicContact CB-CG2 4.33Å; V39-I59 HydrophobicContact CG1-CG2 4.02Å; V41-I59 HydrophobicContact CG1-CG2 4.17Å; V41-I59 HydrophobicContact CG2-CG2 4.28Å; L55-I59 HydrophobicContact CD1-CB 4.22Å; L55-I59 HydrophobicContact CD1-CD1 3.79Å; L55-I59 HydrophobicContact CD1-CG2 4.28Å; L55-I59 HydrophobicContact CD2-CB 3.83Å; L55-I59 HydrophobicContact CD2-CG2 3.74Å; L55-I59 HydrophobicContact CG-CB 3.94Å; L55-I59 HydrophobicContact CG-CD1 4.35Å; L55-I59 HydrophobicContact CG-CG2 4.25Å; F56-I59 HydrophobicContact CB-CD1 4.47Å; F56-I59 PolarHBondContact O-N 3.1Å; P57-I59 VanDerWaalsContact C-N 3.3Å |
| 60 | A | 98 | Very high | 96.9 | Very high | 20 Ų | 20 | 44 Ų | 44 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 153.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V39 V40 V41 | V39-A60 PolarHBondContact O-N 3.07Å; V40-A60 CarbonylContact C-O 3.33Å; V40-A60 WeakPolarHBondContact CA-O 3.18Å; V40-A60 HydrophobicContact CB-CB 4.5Å; V40-A60 HydrophobicContact CG1-CB 4.29Å; V40-A60 HydrophobicContact CG2-CB 4.16Å; V41-A60 PolarHBondContact N-O 3.45Å |
| 61 | M | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.4 | 174.2 | -77.7 | 176.3 | 54.6 | 0 | 0 | 111.6 | V41 L48 V51 R52 L55 C88 T89 W90 | V41-M61 HydrophobicContact CG2-CG 4.35Å; V41-M61 WeakPolarHBondContact O-CA 3.23Å; L48-M61 HydrophobicContact CB-CE 4.13Å; L48-M61 HydrophobicContact CD2-CE 3.51Å; L48-M61 HydrophobicContact CG-CE 4.45Å; L48-M61 WeakPolarHBondContact O-CE 3.42Å; V51-M61 HydrophobicContact CB-CE 4.29Å; V51-M61 HydrophobicContact CB-SD 4.31Å; V51-M61 HydrophobicContact CG1-CE 4.33Å; V51-M61 HydrophobicContact CG1-CG 4.14Å; V51-M61 HydrophobicContact CG1-SD 3.88Å; R52-M61 WeakPolarHBondContact CA-SD 3.14Å; R52-M61 HydrophobicContact CB-CE 3.92Å; R52-M61 HydrophobicContact CB-SD 3.52Å; R52-M61 VanDerWaalsContact CB-SD 3.52Å; R52-M61 HydrophobicContact CG-SD 4.19Å; R52-M61 PolarHBondContact N-SD 2.97Å; L55-M61 HydrophobicContact CD2-CG 3.95Å; M61-C88 WeakPolarHBondContact O-CA 3.17Å; M61-T89 PolarHBondContact O-N 3.24Å; M61-W90 PolarHBondContact O-N 3.01Å; M61-W90 VanDerWaalsContact O-N 3.15Å |
| 62 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V40 V41 A42 W90 | V40-A62 HydrophobicContact CG1-CB 3.76Å; V41-A62 PolarHBondContact O-N 3.07Å; A42-A62 WeakPolarHBondContact CA-O 3.32Å; A42-A62 HydrophobicContact CB-CB 3.88Å; A62-W90 WeakPolarHBondContact CA-O 3.22Å; A62-W90 HydrophobicContact CB-CB 3.6Å |
| 63 | G | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 149.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N65 W90 V91 I92 | G63-N65 VanDerWaalsContact C-N 3.33Å; G63-W90 PolarHBondContact N-O 3.47Å; G63-V91 CarbonylContact O-C 3.5Å; G63-V91 WeakPolarHBondContact O-CA 3.41Å; G63-I92 PolarHBondContact O-N 3.2Å |
| 64 | Q | 98.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -80.7 | -15.2 | 174.1 | -70.5 | -179.4 | -0.9 | 0 | 0 | 113.5 | K13 A42 P43 I92 | K13-Q64 VanDerWaalsContact N-NE2 3.1Å; K13-Q64 PolarHBondContact O-NE2 3.38Å; K13-Q64 PolarHBondContact O-OE1 2.91Å; A42-Q64 HydrophobicContact CB-CG 3.94Å; A42-Q64 PolarHBondContact O-NE2 3.32Å; P43-Q64 PolarHBondContact O-NE2 2.91Å; Q64-I92 CarbonylContact C-O 3.57Å; Q64-I92 VanDerWaalsContact O-O 3.09Å |
| 65 | N | 98.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | trans | -165.2 | 166 | 177.6 | -178.8 | 38.2 | 0 | 0 | 0 | 108.6 | F45 G63 K112 | F45-N65 WeakPolarHBondContact CE1-O 3.07Å; F45-N65 HydrophobicContact CZ-CB 4.14Å; F45-N65 WeakPolarHBondContact CZ-O 3.15Å; G63-N65 VanDerWaalsContact C-N 3.33Å; N65-K112 PolarHBondContact ND2-NZ 3.23Å; N65-K112 PolarHBondContact OD1-NZ 3.09Å | ||
| 66 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -153 | 166.5 | 160.4 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | V78 L83 V91 K112 | C66-V78 CarbonylContact C-O 3.54Å; C66-V78 VanDerWaalsContact CA-O 3.24Å; C66-V78 WeakPolarHBondContact CA-O 3.04Å; C66-V78 WeakPolarHBondContact CB-O 3.49Å; C66-L83 HydrophobicContact CB-CD1 3.88Å; C66-V91 HydrophobicContact CB-CG2 4.24Å; C66-K112 WeakPolarHBondContact O-CD 3.34Å; C66-K112 WeakPolarHBondContact O-CE 2.9Å; C66-K112 PolarHBondContact O-NZ 2.96Å | ||
| 67 | Y | 98.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | trans | -89.4 | 173.2 | 176.5 | -156.8 | -113.5 | 0 | 0 | 0 | 112.9 | V69 F74 E77 V78 F108 | Y67-V69 HydrophobicContact CD1-CG2 3.84Å; Y67-V69 HydrophobicContact CE1-CG2 4.08Å; Y67-F74 HydrophobicContact CD1-CB 4.32Å; Y67-F74 HydrophobicContact CD1-CD1 4.07Å; Y67-F74 HydrophobicContact CD1-CD2 4.08Å; Y67-F74 HydrophobicContact CD1-CE1 4.46Å; Y67-F74 HydrophobicContact CD1-CE2 4.48Å; Y67-F74 AromaticContact CD1-CG 3.87Å; Y67-F74 HydrophobicContact CD1-CG 3.87Å; Y67-F74 HydrophobicContact CE1-CB 4.29Å; Y67-F74 AromaticContact CE1-CD1 3.23Å; Y67-F74 HydrophobicContact CE1-CD1 3.23Å; Y67-F74 AromaticContact CE1-CD2 3.86Å; Y67-F74 HydrophobicContact CE1-CD2 3.86Å; Y67-F74 AromaticContact CE1-CE1 3.36Å; Y67-F74 HydrophobicContact CE1-CE1 3.36Å; Y67-F74 AromaticContact CE1-CE2 3.98Å; Y67-F74 HydrophobicContact CE1-CE2 3.98Å; Y67-F74 AromaticContact CE1-CG 3.5Å; Y67-F74 HydrophobicContact CE1-CG 3.5Å; Y67-F74 VanDerWaalsContact CE1-CG 3.5Å; Y67-F74 AromaticContact CE1-CZ 3.74Å; Y67-F74 HydrophobicContact CE1-CZ 3.74Å; Y67-F74 HydrophobicContact CE2-CD1 4.46Å; Y67-F74 AromaticContact CZ-CD1 3.47Å; Y67-F74 VanDerWaalsContact CZ-CD1 3.47Å; Y67-F74 AromaticContact CZ-CE1 3.67Å; Y67-F74 WeakPolarHBondContact OH-CD1 3.37Å; Y67-F74 VanDerWaalsContact OH-CE1 3.3Å; Y67-F74 WeakPolarHBondContact OH-CE1 3.37Å; Y67-E77 HydrophobicContact CD2-CB 4.3Å; Y67-E77 HydrophobicContact CD2-CG 3.67Å; Y67-E77 WeakPolarHBondContact CD2-OE2 3.25Å; Y67-E77 HydrophobicContact CE2-CG 4.22Å; Y67-E77 HydrophobicContact CG-CB 4.15Å; Y67-E77 HydrophobicContact CG-CG 4.02Å; Y67-V78 PolarHBondContact N-O 3.24Å; Y67-F108 HydrophobicContact CD2-CZ 4.08Å; Y67-F108 HydrophobicContact CE2-CE2 4.23Å; Y67-F108 AromaticContact CE2-CZ 3.61Å; Y67-F108 HydrophobicContact CE2-CZ 3.61Å | ||
| 68 | I | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -82.8 | -9.2 | -172.4 | 57.8 | 162.9 | 0 | 0 | 0 | 114.7 | F108 D111 K112 A115 | I68-F108 HydrophobicContact CD1-CE2 4.09Å; I68-F108 HydrophobicContact CG1-CE2 4.23Å; I68-F108 HydrophobicContact CG2-CD2 4.09Å; I68-F108 HydrophobicContact CG2-CE2 3.62Å; I68-F108 HydrophobicContact CG2-CZ 4.25Å; I68-D111 HydrophobicContact CB-CB 4.42Å; I68-D111 HydrophobicContact CG2-CB 3.69Å; I68-K112 HydrophobicContact CG2-CB 4.33Å; I68-K112 HydrophobicContact CG2-CG 3.48Å; I68-K112 VanDerWaalsContact CG2-CG 3.48Å; I68-A115 WeakPolarHBondContact O-CB 3.19Å |
| 69 | V | 98.3 | Very high | 98.4 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -134.1 | 157.5 | 179.5 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | Y67 F74 S79 | Y67-V69 HydrophobicContact CD1-CG2 3.84Å; Y67-V69 HydrophobicContact CE1-CG2 4.08Å; V69-F74 HydrophobicContact CG2-CD2 3.75Å; V69-F74 HydrophobicContact CG2-CE2 3.33Å; V69-F74 HydrophobicContact CG2-CZ 4.05Å; V69-S79 VanDerWaalsContact O-CB 3.31Å; V69-S79 WeakPolarHBondContact O-CB 3.41Å |
| 70 | D | 97.7 | Very high | 98.5 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -70 | -33.2 | -175.7 | -70.6 | -21.4 | 0 | 0 | 0 | 114.1 | S79 A81 | D70-S79 WeakPolarHBondContact O-CB 3.42Å; D70-S79 PolarHBondContact O-OG 2.9Å; D70-A81 HydrophobicContact CB-CB 4.43Å |
| 71 | K | 98.2 | Very high | 98.5 | Very high | 185 Ų | 185 | 52.3 Ų | 52.3 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -160.1 | 158.3 | -177.1 | 59.4 | -175.1 | 134.7 | -177.4 | 0 | 111.3 | ||
| 72 | G | 98 | Very high | 98.5 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 154.3 | -170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F74 | G72-F74 PolarHBondContact O-N 3.34Š|
| 73 | A | 98.3 | Very high | 98.5 | Very high | 102 Ų | 102 | 57.4 Ų | 57.4 | 84% | 0.843 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -79.8 | 62.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 74 | F | 98.3 | Very high | 98.5 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | trans | -119.5 | 64.1 | -179.7 | -56.5 | -74.9 | 0 | 0 | 0 | 110.1 | Y67 V69 G72 G76 E77 | Y67-F74 HydrophobicContact CD1-CB 4.32Å; Y67-F74 HydrophobicContact CD1-CD1 4.07Å; Y67-F74 HydrophobicContact CD1-CD2 4.08Å; Y67-F74 HydrophobicContact CD1-CE1 4.46Å; Y67-F74 HydrophobicContact CD1-CE2 4.48Å; Y67-F74 AromaticContact CD1-CG 3.87Å; Y67-F74 HydrophobicContact CD1-CG 3.87Å; Y67-F74 HydrophobicContact CE1-CB 4.29Å; Y67-F74 AromaticContact CE1-CD1 3.23Å; Y67-F74 HydrophobicContact CE1-CD1 3.23Å; Y67-F74 AromaticContact CE1-CD2 3.86Å; Y67-F74 HydrophobicContact CE1-CD2 3.86Å; Y67-F74 AromaticContact CE1-CE1 3.36Å; Y67-F74 HydrophobicContact CE1-CE1 3.36Å; Y67-F74 AromaticContact CE1-CE2 3.98Å; Y67-F74 HydrophobicContact CE1-CE2 3.98Å; Y67-F74 AromaticContact CE1-CG 3.5Å; Y67-F74 HydrophobicContact CE1-CG 3.5Å; Y67-F74 VanDerWaalsContact CE1-CG 3.5Å; Y67-F74 AromaticContact CE1-CZ 3.74Å; Y67-F74 HydrophobicContact CE1-CZ 3.74Å; Y67-F74 HydrophobicContact CE2-CD1 4.46Å; Y67-F74 AromaticContact CZ-CD1 3.47Å; Y67-F74 VanDerWaalsContact CZ-CD1 3.47Å; Y67-F74 AromaticContact CZ-CE1 3.67Å; Y67-F74 WeakPolarHBondContact OH-CD1 3.37Å; Y67-F74 VanDerWaalsContact OH-CE1 3.3Å; Y67-F74 WeakPolarHBondContact OH-CE1 3.37Å; V69-F74 HydrophobicContact CG2-CD2 3.75Å; V69-F74 HydrophobicContact CG2-CE2 3.33Å; V69-F74 HydrophobicContact CG2-CZ 4.05Å; G72-F74 PolarHBondContact O-N 3.34Å; F74-G76 PolarHBondContact O-N 3.3Å; F74-E77 HydrophobicContact CB-CB 4.12Å; F74-E77 HydrophobicContact CB-CG 4.34Å; F74-E77 WeakPolarHBondContact O-CB 3.34Å; F74-E77 PolarHBondContact O-N 3.18Å | ||
| 75 | T | 98.5 | Very high | 98.4 | Very high | 152 Ų | 152 | 67.7 Ų | 67.7 | 93% | 0.933 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 123.5 | -176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 76 | G | 98.1 | Very high | 98.3 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -16.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F74 | F74-G76 PolarHBondContact O-N 3.3Š|
| 77 | E | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 71.2 Ų | 71.2 | 33% | 0.327 | 42% | 0.421 | S | S | . | . | trans | -83.5 | 156.3 | 177.2 | -71.1 | -63.9 | 122.1 | 0 | 0 | 112.6 | Y67 F74 | Y67-E77 HydrophobicContact CD2-CB 4.3Å; Y67-E77 HydrophobicContact CD2-CG 3.67Å; Y67-E77 WeakPolarHBondContact CD2-OE2 3.25Å; Y67-E77 HydrophobicContact CE2-CG 4.22Å; Y67-E77 HydrophobicContact CG-CB 4.15Å; Y67-E77 HydrophobicContact CG-CG 4.02Å; F74-E77 HydrophobicContact CB-CB 4.12Å; F74-E77 HydrophobicContact CB-CG 4.34Å; F74-E77 WeakPolarHBondContact O-CB 3.34Å; F74-E77 PolarHBondContact O-N 3.18Å | ||
| 78 | V | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.17 | 41% | 0.413 | C | S | . | . | trans | -117.8 | 134.3 | 174.1 | 177 | 0 | 0 | 0 | 0 | 108.4 | F45 C66 Y67 M82 L83 | F45-V78 HydrophobicContact CD1-CG2 4.22Å; F45-V78 HydrophobicContact CD2-CG2 3.87Å; F45-V78 HydrophobicContact CE1-CB 4.26Å; F45-V78 HydrophobicContact CE1-CG1 4.39Å; F45-V78 HydrophobicContact CE1-CG2 4.37Å; F45-V78 HydrophobicContact CE2-CB 4.36Å; F45-V78 HydrophobicContact CE2-CG2 4.01Å; F45-V78 HydrophobicContact CG-CG2 3.98Å; F45-V78 HydrophobicContact CZ-CB 4.16Å; F45-V78 HydrophobicContact CZ-CG2 4.26Å; C66-V78 CarbonylContact C-O 3.54Å; C66-V78 VanDerWaalsContact CA-O 3.24Å; C66-V78 WeakPolarHBondContact CA-O 3.04Å; C66-V78 WeakPolarHBondContact CB-O 3.49Å; Y67-V78 PolarHBondContact N-O 3.24Å; V78-M82 HydrophobicContact CG1-CB 3.97Å; V78-M82 HydrophobicContact CG1-SD 4.32Å; V78-L83 HydrophobicContact CG1-CD2 3.93Å; V78-L83 HydrophobicContact CG1-CG 3.99Å | ||
| 79 | S | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | trans | -88.6 | 158.8 | 177.4 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | V69 D70 A81 M82 L83 | V69-S79 VanDerWaalsContact O-CB 3.31Å; V69-S79 WeakPolarHBondContact O-CB 3.41Å; D70-S79 WeakPolarHBondContact O-CB 3.42Å; D70-S79 PolarHBondContact O-OG 2.9Å; S79-A81 PolarHBondContact O-N 3.48Å; S79-M82 PolarHBondContact O-N 3.07Å; S79-M82 WeakPolarHBondContact OG-CG 3.28Å; S79-M82 PolarHBondContact OG-N 3.48Å; S79-L83 PolarHBondContact O-N 2.88Å | ||
| 80 | A | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.017 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -33.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | L83 K84 A116 T119 L121 | A80-L83 PolarHBondContact O-N 2.89Å; A80-K84 PolarHBondContact O-N 2.85Å; A80-A116 HydrophobicContact CB-CB 4.44Å; A80-T119 HydrophobicContact CB-CG2 4.06Å; A80-L121 HydrophobicContact CB-CD1 3.74Å; A80-L121 HydrophobicContact CB-CG 4.5Å |
| 81 | A | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 31% | 0.306 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D70 S79 L83 K84 D85 T119 | D70-A81 HydrophobicContact CB-CB 4.43Å; S79-A81 PolarHBondContact O-N 3.48Å; A81-L83 PolarHBondContact O-N 2.87Å; A81-K84 PolarHBondContact O-N 3.22Å; A81-D85 WeakPolarHBondContact O-CB 3.34Å; A81-D85 PolarHBondContact O-N 3.13Å; A81-T119 HydrophobicContact CB-CG2 4.27Å |
| 82 | M | 98.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 53% | 0.527 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.4 | -68.4 | 172.4 | -179.3 | 0 | 0 | 112.2 | V78 S79 D85 I86 | V78-M82 HydrophobicContact CG1-CB 3.97Å; V78-M82 HydrophobicContact CG1-SD 4.32Å; S79-M82 PolarHBondContact O-N 3.07Å; S79-M82 WeakPolarHBondContact OG-CG 3.28Å; S79-M82 PolarHBondContact OG-N 3.48Å; M82-D85 PolarHBondContact O-N 3.31Å; M82-I86 PolarHBondContact O-N 3.5Å |
| 83 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.6 | -67.2 | 178.1 | 0 | 0 | 0 | 111.5 | F45 L48 C66 V78 S79 A80 A81 I86 G87 C88 V91 L121 | F45-L83 HydrophobicContact CD1-CD2 4.22Å; F45-L83 HydrophobicContact CE1-CD2 4.02Å; L48-L83 HydrophobicContact CD1-CD2 3.67Å; C66-L83 HydrophobicContact CB-CD1 3.88Å; V78-L83 HydrophobicContact CG1-CD2 3.93Å; V78-L83 HydrophobicContact CG1-CG 3.99Å; S79-L83 PolarHBondContact O-N 2.88Å; A80-L83 PolarHBondContact O-N 2.89Å; A81-L83 PolarHBondContact O-N 2.87Å; L83-I86 WeakPolarHBondContact O-CG2 3.43Å; L83-I86 PolarHBondContact O-N 3.27Å; L83-G87 PolarHBondContact O-N 2.68Å; L83-C88 HydrophobicContact CB-CB 4.02Å; L83-C88 WeakPolarHBondContact O-CA 3.39Å; L83-C88 WeakPolarHBondContact O-CB 3.18Å; L83-C88 PolarHBondContact O-N 3.11Å; L83-C88 PolarHBondContact O-SG 3.16Å; L83-V91 HydrophobicContact CD1-CB 4.19Å; L83-V91 HydrophobicContact CD1-CG2 3.89Å; L83-L121 HydrophobicContact CB-CD1 4.06Å; L83-L121 HydrophobicContact CD1-CD1 4.13Å |
| 84 | K | 98 | Very high | 98.4 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.8 | -171.9 | 175.6 | -180 | -177.9 | 0 | 112 | A80 A81 I86 G87 T119 L121 | A80-K84 PolarHBondContact O-N 2.85Å; A81-K84 PolarHBondContact O-N 3.22Å; K84-I86 VanDerWaalsContact C-N 3.33Å; K84-I86 PolarHBondContact O-N 3.45Å; K84-G87 PolarHBondContact O-N 3.26Å; K84-T119 HydrophobicContact CD-CG2 4.14Å; K84-T119 VanDerWaalsContact CD-O 3.32Å; K84-T119 WeakPolarHBondContact CD-O 3.34Å; K84-T119 PolarHBondContact NZ-O 2.87Å; K84-L121 HydrophobicContact CB-CD2 4.02Å |
| 85 | D | 97.8 | Very high | 98.4 | Very high | 144 Ų | 144 | 43.3 Ų | 43.3 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.9 | -41.7 | 178.3 | -178.1 | 58.4 | 0 | 0 | 0 | 112.4 | A81 M82 G87 | A81-D85 WeakPolarHBondContact O-CB 3.34Å; A81-D85 PolarHBondContact O-N 3.13Å; M82-D85 PolarHBondContact O-N 3.31Å; D85-G87 PolarHBondContact O-N 2.82Å |
| 86 | I | 96.5 | Very high | 98.4 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.4 | 176.7 | -151.7 | 65.9 | 0 | 0 | 0 | 113.6 | L48 K49 R52 M82 L83 K84 | L48-I86 HydrophobicContact CB-CG2 4.34Å; L48-I86 HydrophobicContact CD1-CG2 4.38Å; K49-I86 HydrophobicContact CB-CD1 4.11Å; K49-I86 HydrophobicContact CB-CG1 4.31Å; K49-I86 HydrophobicContact CD-CD1 4.33Å; K49-I86 HydrophobicContact CG-CD1 4.1Å; R52-I86 WeakPolarHBondContact CG-O 3.3Å; M82-I86 PolarHBondContact O-N 3.5Å; L83-I86 WeakPolarHBondContact O-CG2 3.43Å; L83-I86 PolarHBondContact O-N 3.27Å; K84-I86 VanDerWaalsContact C-N 3.33Å; K84-I86 PolarHBondContact O-N 3.45Å |
| 87 | G | 96.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 16.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L83 K84 D85 | L83-G87 PolarHBondContact O-N 2.68Å; K84-G87 PolarHBondContact O-N 3.26Å; D85-G87 PolarHBondContact O-N 2.82Å |
| 88 | C | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | trans | -68.9 | 138.8 | 165.2 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | M61 L83 L121 | M61-C88 WeakPolarHBondContact O-CA 3.17Å; L83-C88 HydrophobicContact CB-CB 4.02Å; L83-C88 WeakPolarHBondContact O-CA 3.39Å; L83-C88 WeakPolarHBondContact O-CB 3.18Å; L83-C88 PolarHBondContact O-N 3.11Å; L83-C88 PolarHBondContact O-SG 3.16Å; C88-L121 VanDerWaalsContact O-CD2 3.3Å; C88-L121 WeakPolarHBondContact O-CD2 3.45Å | ||
| 89 | T | 98.4 | Very high | 98.4 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | trans | -112.6 | -4.1 | 174.8 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | M61 N122 | M61-T89 PolarHBondContact O-N 3.24Å; T89-N122 WeakPolarHBondContact O-CB 3.44Å; T89-N122 PolarHBondContact O-N 3.07Å; T89-N122 PolarHBondContact O-ND2 2.93Å | ||
| 90 | W | 98.9 | Very high | 98.3 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 164.6 | -178.8 | -70.5 | 84.6 | 0 | 0 | 0 | 111.9 | I7 V40 M61 A62 G63 N122 I124 V161 | I7-W90 HydrophobicContact CD1-CH2 4.19Å; I7-W90 HydrophobicContact CD1-CZ2 4.34Å; V40-W90 HydrophobicContact CG1-CB 3.92Å; V40-W90 HydrophobicContact CG1-CG 3.87Å; V40-W90 HydrophobicContact CG2-CD2 4.36Å; V40-W90 HydrophobicContact CG2-CG 4.33Å; M61-W90 PolarHBondContact O-N 3.01Å; M61-W90 VanDerWaalsContact O-N 3.15Å; A62-W90 WeakPolarHBondContact CA-O 3.22Å; A62-W90 HydrophobicContact CB-CB 3.6Å; G63-W90 PolarHBondContact N-O 3.47Å; W90-N122 CarbonylContact C-O 3.58Å; W90-N122 VanDerWaalsContact CA-O 3.24Å; W90-N122 WeakPolarHBondContact CA-O 3.21Å; W90-N122 HydrophobicContact CD2-CB 3.4Å; W90-N122 HydrophobicContact CE3-CB 3.3Å; W90-N122 HydrophobicContact CG-CB 4.07Å; W90-N122 HydrophobicContact CH2-CB 3.65Å; W90-N122 HydrophobicContact CZ2-CB 3.74Å; W90-N122 HydrophobicContact CZ3-CB 3.44Å; W90-N122 VanDerWaalsContact CZ3-CB 3.44Å; W90-I124 HydrophobicContact CE3-CD1 4.43Å; W90-I124 HydrophobicContact CE3-CG1 3.76Å; W90-I124 HydrophobicContact CZ3-CG1 4.11Å; W90-V161 HydrophobicContact CH2-CG2 3.57Å; W90-V161 HydrophobicContact CZ3-CB 4.16Å; W90-V161 HydrophobicContact CZ3-CG2 3.65Å |
| 91 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.2 | 164.4 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | G63 C66 L83 L93 A116 L121 N122 V123 I124 | G63-V91 CarbonylContact O-C 3.5Å; G63-V91 WeakPolarHBondContact O-CA 3.41Å; C66-V91 HydrophobicContact CB-CG2 4.24Å; L83-V91 HydrophobicContact CD1-CB 4.19Å; L83-V91 HydrophobicContact CD1-CG2 3.89Å; V91-L93 HydrophobicContact CG1-CD1 3.93Å; V91-L93 HydrophobicContact CG1-CG 4.02Å; V91-L93 HydrophobicContact CG2-CD2 4.11Å; V91-L93 HydrophobicContact CG2-CG 4.13Å; V91-A116 HydrophobicContact CG1-CB 3.62Å; V91-L121 HydrophobicContact CB-CD1 4.25Å; V91-L121 HydrophobicContact CG1-CB 4.48Å; V91-L121 HydrophobicContact CG1-CD1 4.16Å; V91-N122 PolarHBondContact N-O 3.16Å; V91-V123 HydrophobicContact CG1-CG2 4.05Å; V91-V123 WeakPolarHBondContact O-CA 3.24Å; V91-I124 PolarHBondContact O-N 3.15Å |
| 92 | I | 99 | Very high | 98.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 170.2 | -59 | 174.1 | 0 | 0 | 0 | 108.3 | N11 A42 G63 Q64 H95 I124 L230 | N11-I92 HydrophobicContact CB-CD1 3.94Å; A42-I92 HydrophobicContact CB-CD1 3.53Å; A42-I92 HydrophobicContact CB-CG1 4.31Å; G63-I92 PolarHBondContact O-N 3.2Å; Q64-I92 CarbonylContact C-O 3.57Å; Q64-I92 VanDerWaalsContact O-O 3.09Å; I92-H95 HydrophobicContact CG2-CB 4.16Å; I92-I124 WeakPolarHBondContact CA-O 3.49Å; I92-I124 HydrophobicContact CG1-CB 4.22Å; I92-I124 HydrophobicContact CG1-CD1 4.25Å; I92-L230 HydrophobicContact CD1-CD1 4.16Å |
| 93 | L | 99 | Very high | 98.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.1 | 179.9 | -68.5 | 176.1 | 0 | 0 | 0 | 111.3 | V91 H95 I109 K112 V113 A116 V123 I124 C126 | V91-L93 HydrophobicContact CG1-CD1 3.93Å; V91-L93 HydrophobicContact CG1-CG 4.02Å; V91-L93 HydrophobicContact CG2-CD2 4.11Å; V91-L93 HydrophobicContact CG2-CG 4.13Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-I109 HydrophobicContact CB-CG2 4.49Å; L93-K112 HydrophobicContact CD1-CB 3.9Å; L93-K112 HydrophobicContact CD2-CB 3.92Å; L93-K112 HydrophobicContact CD2-CD 4.01Å; L93-K112 HydrophobicContact CG-CB 4.49Å; L93-V113 HydrophobicContact CB-CG2 4.16Å; L93-V113 HydrophobicContact CD1-CB 4.43Å; L93-V113 HydrophobicContact CD1-CG2 3.92Å; L93-A116 HydrophobicContact CD1-CB 4.03Å; L93-V123 HydrophobicContact CB-CG1 4.22Å; L93-V123 HydrophobicContact CD1-CG1 4.06Å; L93-V123 HydrophobicContact CD1-CG2 4.3Å; L93-V123 HydrophobicContact CG-CG1 4.42Å; L93-I124 PolarHBondContact N-O 2.98Å; L93-C126 PolarHBondContact O-N 2.97Å |
| 94 | G | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 74.2 | 21.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R99 C126 | G94-R99 WeakPolarHBondContact O-CD 3.2Å; G94-R99 PolarHBondContact O-NE 3.21Å; G94-C126 WeakPolarHBondContact O-CB 3.3Å |
| 95 | H | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | trans | -53.6 | 144.9 | 173.1 | -169.6 | -102.4 | 0 | 0 | 0 | 110.7 | N11 I92 L93 E97 R98 R99 E165 | N11-H95 PolarHBondContact ND2-NE2 3.42Å; I92-H95 HydrophobicContact CG2-CB 4.16Å; L93-H95 VanDerWaalsContact C-N 3.34Å; H95-E97 IonicContact CE1-OE1 2.73Å; H95-E97 IonicContact CE1-OE2 3.57Å; H95-E97 PolarHBondContact CE1-OE2 3.2Å; H95-E97 IonicContact ND1-OE2 3.28Å; H95-E97 PolarHBondContact ND1-OE2 3.21Å; H95-E97 PolarHBondContact O-N 3.25Å; H95-E97 VanDerWaalsContact O-N 3.16Å; H95-R98 HydrophobicContact CB-CG 4.29Å; H95-R98 WeakPolarHBondContact O-CA 3.38Å; H95-R98 VanDerWaalsContact O-CB 3.29Å; H95-R98 WeakPolarHBondContact O-CB 3.25Å; H95-R98 PolarHBondContact O-N 2.82Å; H95-R99 PolarHBondContact O-N 2.8Å; H95-R99 VanDerWaalsContact O-N 3.13Å; H95-E165 IonicContact CD2-OE2 3.82Å; H95-E165 PolarHBondContact CD2-OE2 2.74Å; H95-E165 VanDerWaalsContact CD2-OE2 3.26Å; H95-E165 IonicContact NE2-OE2 3.63Å | ||
| 96 | S | 97.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.8 | -38.5 | -174.3 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | R98 R99 H100 I170 | S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 2.63Å; S96-R99 PolarHBondContact O-N 3.38Å; S96-R99 VanDerWaalsContact O-N 3.16Å; S96-H100 WeakPolarHBondContact O-CB 3.36Å; S96-H100 PolarHBondContact O-CD2 2.79Å; S96-H100 PolarHBondContact O-N 2.81Å; S96-I170 WeakPolarHBondContact OG-CD1 3.4Å |
| 97 | E | 98.1 | Very high | 98.4 | Very high | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -36.8 | 175.9 | -69.1 | 156.8 | -172.5 | 0 | 0 | 111.7 | K13 H95 V101 L102 | K13-E97 WeakPolarHBondContact CD-OE1 3.47Å; K13-E97 VanDerWaalsContact CE-OE1 3.28Å; K13-E97 WeakPolarHBondContact CE-OE1 2.81Å; K13-E97 IonicContact NZ-OE1 3.81Å; K13-E97 PolarHBondContact NZ-OE1 3.21Å; H95-E97 IonicContact CE1-OE1 2.73Å; H95-E97 IonicContact CE1-OE2 3.57Å; H95-E97 PolarHBondContact CE1-OE2 3.2Å; H95-E97 IonicContact ND1-OE2 3.28Å; H95-E97 PolarHBondContact ND1-OE2 3.21Å; H95-E97 PolarHBondContact O-N 3.25Å; H95-E97 VanDerWaalsContact O-N 3.16Å; E97-V101 WeakPolarHBondContact O-CA 3.17Å; E97-V101 WeakPolarHBondContact O-CB 2.88Å; E97-V101 PolarHBondContact O-N 2.93Å; E97-L102 PolarHBondContact O-N 3.3Å |
| 98 | R | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 176.1 | -62.2 | -101.8 | 27.5 | 133.2 | -7.5 | 111 | H95 S96 L102 N103 E104 | H95-R98 HydrophobicContact CB-CG 4.29Å; H95-R98 WeakPolarHBondContact O-CA 3.38Å; H95-R98 VanDerWaalsContact O-CB 3.29Å; H95-R98 WeakPolarHBondContact O-CB 3.25Å; H95-R98 PolarHBondContact O-N 2.82Å; S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 2.63Å; R98-L102 CarbonylContact O-C 3.54Å; R98-L102 VanDerWaalsContact O-C 3.25Å; R98-L102 PolarHBondContact O-N 2.89Å; R98-N103 PolarHBondContact O-N 2.78Å; R98-N103 VanDerWaalsContact O-N 3.16Å; R98-E104 HydrophobicContact CB-CG 4.38Å; R98-E104 IonicContact CZ-OE1 2.68Å; R98-E104 VanDerWaalsContact NE-CD 3.33Å; R98-E104 IonicContact NE-OE1 3.8Å; R98-E104 PolarHBondContact NE-OE1 2.95Å; R98-E104 IonicContact NE-OE2 3.26Å; R98-E104 IonicContact NH2-OE1 3.19Å; R98-E104 PolarHBondContact NH2-OE1 2.68Å; R98-E104 WeakPolarHBondContact O-CB 3.41Å; R98-E104 PolarHBondContact O-N 2.81Å |
| 99 | R | 98.6 | Very high | 98.5 | Very high | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -47.4 | 178.9 | -67.3 | 176.2 | -178 | -86.3 | 10.5 | 112.8 | G94 H95 S96 N103 D106 I109 Y125 C126 | G94-R99 WeakPolarHBondContact O-CD 3.2Å; G94-R99 PolarHBondContact O-NE 3.21Å; H95-R99 PolarHBondContact O-N 2.8Å; H95-R99 VanDerWaalsContact O-N 3.13Å; S96-R99 PolarHBondContact O-N 3.38Å; S96-R99 VanDerWaalsContact O-N 3.16Å; R99-N103 VanDerWaalsContact O-CA 3.27Å; R99-N103 WeakPolarHBondContact O-CA 3.46Å; R99-N103 PolarHBondContact O-N 3.19Å; R99-D106 IonicContact CZ-OD1 3.96Å; R99-D106 IonicContact NH1-OD1 2.79Å; R99-D106 PolarHBondContact NH1-OD1 3.45Å; R99-I109 HydrophobicContact CG-CD1 3.62Å; R99-I109 VanDerWaalsContact CZ-CD1 3.45Å; R99-I109 VanDerWaalsContact NH1-CD1 3.26Å; R99-Y125 PolarHBondContact NH2-OH 3.27Å; R99-C126 PolarHBondContact NH2-O 3.16Å |
| 100 | H | 96.9 | Very high | 98.5 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -101.6 | -27.6 | -166.9 | -57.7 | -62.5 | 0 | 0 | 0 | 114.3 | S96 | S96-H100 WeakPolarHBondContact O-CB 3.36Å; S96-H100 PolarHBondContact O-CD2 2.79Å; S96-H100 PolarHBondContact O-N 2.81Å |
| 101 | V | 97.8 | Very high | 98.5 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -38.9 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | E97 | E97-V101 WeakPolarHBondContact O-CA 3.17Å; E97-V101 WeakPolarHBondContact O-CB 2.88Å; E97-V101 PolarHBondContact O-N 2.93Å |
| 102 | L | 98.2 | Very high | 98.5 | Very high | 92 Ų | 92 | 40.4 Ų | 40.4 | 48% | 0.482 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -110 | 9.2 | -174.3 | -58.9 | 172.4 | 0 | 0 | 0 | 113.3 | E97 R98 E104 | E97-L102 PolarHBondContact O-N 3.3Å; R98-L102 CarbonylContact O-C 3.54Å; R98-L102 VanDerWaalsContact O-C 3.25Å; R98-L102 PolarHBondContact O-N 2.89Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.26Å |
| 103 | N | 98.4 | Very high | 98.5 | Very high | 134 Ų | 134 | 40.3 Ų | 40.3 | 72% | 0.717 | 22% | 0.218 | S | C | * | . | trans | 56.7 | 35.6 | 168.9 | -59.1 | -50 | 0 | 0 | 0 | 115.1 | R98 R99 S105 | R98-N103 PolarHBondContact O-N 2.78Å; R98-N103 VanDerWaalsContact O-N 3.16Å; R99-N103 VanDerWaalsContact O-CA 3.27Å; R99-N103 WeakPolarHBondContact O-CA 3.46Å; R99-N103 PolarHBondContact O-N 3.19Å; N103-S105 PolarHBondContact O-N 3.49Å | ||
| 104 | E | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | trans | -74.4 | 117 | 173.3 | -65.9 | -168.9 | -175.5 | 0 | 0 | 111.7 | R98 L102 F108 I109 K112 | R98-E104 HydrophobicContact CB-CG 4.38Å; R98-E104 IonicContact CZ-OE1 2.68Å; R98-E104 VanDerWaalsContact NE-CD 3.33Å; R98-E104 IonicContact NE-OE1 3.8Å; R98-E104 PolarHBondContact NE-OE1 2.95Å; R98-E104 IonicContact NE-OE2 3.26Å; R98-E104 IonicContact NH2-OE1 3.19Å; R98-E104 PolarHBondContact NH2-OE1 2.68Å; R98-E104 WeakPolarHBondContact O-CB 3.41Å; R98-E104 PolarHBondContact O-N 2.81Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.26Å; E104-F108 HydrophobicContact CB-CD1 4.24Å; E104-F108 HydrophobicContact CG-CD1 4.02Å; E104-F108 HydrophobicContact CG-CE1 4.22Å; E104-I109 HydrophobicContact CB-CD1 3.9Å; E104-I109 HydrophobicContact CB-CG1 3.87Å; E104-I109 WeakPolarHBondContact O-CD1 3.24Å; E104-K112 IonicContact OE1-NZ 3.7Å; E104-K112 PolarHBondContact OE1-NZ 2.79Å; E104-K112 IonicContact OE2-NZ 3.6Å; E104-K112 PolarHBondContact OE2-NZ 2.84Å | ||
| 105 | S | 98.7 | Very high | 98.5 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 47% | 0.469 | 23% | 0.232 | S | C | . | . | trans | -73.4 | 157.9 | 178 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | N103 A107 F108 I109 | N103-S105 PolarHBondContact O-N 3.49Å; S105-A107 PolarHBondContact O-N 3.48Å; S105-F108 PolarHBondContact O-N 3.22Å; S105-F108 VanDerWaalsContact O-N 3.15Å; S105-F108 WeakPolarHBondContact OG-CB 3.35Å; S105-F108 PolarHBondContact OG-N 2.91Å; S105-I109 WeakPolarHBondContact O-CD1 2.96Å; S105-I109 VanDerWaalsContact O-CG1 3.31Å; S105-I109 WeakPolarHBondContact O-CG1 3.16Å; S105-I109 PolarHBondContact O-N 3.07Å | ||
| 106 | D | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.4 | -40.8 | 176.3 | -58.8 | -33.9 | 0 | 0 | 0 | 112.1 | R99 I109 A110 R145 Q146 A149 | R99-D106 IonicContact CZ-OD1 3.96Å; R99-D106 IonicContact NH1-OD1 2.79Å; R99-D106 PolarHBondContact NH1-OD1 3.45Å; D106-I109 PolarHBondContact O-N 3.01Å; D106-A110 WeakPolarHBondContact O-CB 3.27Å; D106-A110 PolarHBondContact O-N 3.24Å; D106-R145 IonicContact OD1-NH1 3.26Å; D106-R145 IonicContact OD2-CZ 3.76Å; D106-R145 IonicContact OD2-NH1 3.08Å; D106-R145 PolarHBondContact OD2-NH1 2.73Å; D106-Q146 WeakPolarHBondContact OD1-CG 3.46Å; D106-A149 HydrophobicContact CB-CB 3.59Å |
| 107 | A | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S105 A110 D111 K152 | S105-A107 PolarHBondContact O-N 3.48Å; A107-A110 WeakPolarHBondContact O-CB 3.32Å; A107-A110 PolarHBondContact O-N 3.25Å; A107-D111 PolarHBondContact O-N 2.97Å; A107-D111 VanDerWaalsContact O-N 3.13Å; A107-K152 PolarHBondContact O-NZ 3.23Å |
| 108 | F | 98.8 | Very high | 98.5 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 179.5 | -176.5 | -123.9 | 0 | 0 | 0 | 111.9 | Y67 I68 E104 S105 A110 D111 K112 | Y67-F108 HydrophobicContact CD2-CZ 4.08Å; Y67-F108 HydrophobicContact CE2-CE2 4.23Å; Y67-F108 AromaticContact CE2-CZ 3.61Å; Y67-F108 HydrophobicContact CE2-CZ 3.61Å; I68-F108 HydrophobicContact CD1-CE2 4.09Å; I68-F108 HydrophobicContact CG1-CE2 4.23Å; I68-F108 HydrophobicContact CG2-CD2 4.09Å; I68-F108 HydrophobicContact CG2-CE2 3.62Å; I68-F108 HydrophobicContact CG2-CZ 4.25Å; E104-F108 HydrophobicContact CB-CD1 4.24Å; E104-F108 HydrophobicContact CG-CD1 4.02Å; E104-F108 HydrophobicContact CG-CE1 4.22Å; S105-F108 PolarHBondContact O-N 3.22Å; S105-F108 VanDerWaalsContact O-N 3.15Å; S105-F108 WeakPolarHBondContact OG-CB 3.35Å; S105-F108 PolarHBondContact OG-N 2.91Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.46Å; F108-D111 WeakPolarHBondContact O-CB 3.32Å; F108-D111 PolarHBondContact O-N 3.05Å; F108-K112 HydrophobicContact CE1-CD 4.33Å; F108-K112 PolarHBondContact O-N 2.94Å |
| 109 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.5 | -64 | 159.4 | 0 | 0 | 0 | 110.3 | L93 R99 E104 S105 D106 D111 K112 V113 Y125 | L93-I109 HydrophobicContact CB-CG2 4.49Å; R99-I109 HydrophobicContact CG-CD1 3.62Å; R99-I109 VanDerWaalsContact CZ-CD1 3.45Å; R99-I109 VanDerWaalsContact NH1-CD1 3.26Å; E104-I109 HydrophobicContact CB-CD1 3.9Å; E104-I109 HydrophobicContact CB-CG1 3.87Å; E104-I109 WeakPolarHBondContact O-CD1 3.24Å; S105-I109 WeakPolarHBondContact O-CD1 2.96Å; S105-I109 VanDerWaalsContact O-CG1 3.31Å; S105-I109 WeakPolarHBondContact O-CG1 3.16Å; S105-I109 PolarHBondContact O-N 3.07Å; D106-I109 PolarHBondContact O-N 3.01Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.85Å; I109-K112 WeakPolarHBondContact O-CB 3.46Å; I109-K112 PolarHBondContact O-N 2.92Å; I109-K112 VanDerWaalsContact O-N 3.08Å; I109-V113 HydrophobicContact CG2-CG2 4.4Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 3.25Å; I109-Y125 HydrophobicContact CG2-CD2 4.18Å; I109-Y125 HydrophobicContact CG2-CE2 3.62Å |
| 110 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D106 A107 F108 V113 N114 A149 L150 K152 H153 | D106-A110 WeakPolarHBondContact O-CB 3.27Å; D106-A110 PolarHBondContact O-N 3.24Å; A107-A110 WeakPolarHBondContact O-CB 3.32Å; A107-A110 PolarHBondContact O-N 3.25Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.46Å; A110-V113 PolarHBondContact O-N 3.19Å; A110-N114 PolarHBondContact O-N 3.38Å; A110-A149 HydrophobicContact CB-CB 4.23Å; A110-A149 WeakPolarHBondContact CB-O 3.37Å; A110-L150 HydrophobicContact CB-CD2 3.94Å; A110-K152 HydrophobicContact CB-CD 4.08Å; A110-K152 HydrophobicContact CB-CG 4.47Å; A110-H153 PolarHBondContact O-CD2 2.96Å; A110-H153 VanDerWaalsContact O-CD2 3.31Å |
| 111 | D | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 172.7 | -67.8 | -36.2 | 0 | 0 | 0 | 112.2 | I68 A107 F108 I109 N114 A115 K152 H153 | I68-D111 HydrophobicContact CB-CB 4.42Å; I68-D111 HydrophobicContact CG2-CB 3.69Å; A107-D111 PolarHBondContact O-N 2.97Å; A107-D111 VanDerWaalsContact O-N 3.13Å; F108-D111 WeakPolarHBondContact O-CB 3.32Å; F108-D111 PolarHBondContact O-N 3.05Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.85Å; D111-N114 PolarHBondContact O-N 2.84Å; D111-A115 WeakPolarHBondContact O-CB 3.36Å; D111-A115 PolarHBondContact O-N 3.1Å; D111-K152 WeakPolarHBondContact OD1-CE 3.46Å; D111-K152 IonicContact OD1-NZ 3.31Å; D111-K152 PolarHBondContact OD1-NZ 3.37Å; D111-K152 IonicContact OD2-NZ 3.46Å; D111-K152 PolarHBondContact OD2-NZ 2.84Å; D111-H153 IonicContact OD1-CD2 3.88Å; D111-H153 IonicContact OD1-CE1 2.67Å; D111-H153 PolarHBondContact OD1-CE1 2.75Å; D111-H153 IonicContact OD1-NE2 2.74Å; D111-H153 PolarHBondContact OD1-NE2 2.94Å |
| 112 | K | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 175.4 | -68.2 | 179.7 | 167.9 | -171.4 | 0 | 112 | N65 C66 I68 L93 E104 F108 I109 N114 A115 A116 | N65-K112 PolarHBondContact ND2-NZ 3.23Å; N65-K112 PolarHBondContact OD1-NZ 3.09Å; C66-K112 WeakPolarHBondContact O-CD 3.34Å; C66-K112 WeakPolarHBondContact O-CE 2.9Å; C66-K112 PolarHBondContact O-NZ 2.96Å; I68-K112 HydrophobicContact CG2-CB 4.33Å; I68-K112 HydrophobicContact CG2-CG 3.48Å; I68-K112 VanDerWaalsContact CG2-CG 3.48Å; L93-K112 HydrophobicContact CD1-CB 3.9Å; L93-K112 HydrophobicContact CD2-CB 3.92Å; L93-K112 HydrophobicContact CD2-CD 4.01Å; L93-K112 HydrophobicContact CG-CB 4.49Å; E104-K112 IonicContact OE1-NZ 3.7Å; E104-K112 PolarHBondContact OE1-NZ 2.79Å; E104-K112 IonicContact OE2-NZ 3.6Å; E104-K112 PolarHBondContact OE2-NZ 2.84Å; F108-K112 HydrophobicContact CE1-CD 4.33Å; F108-K112 PolarHBondContact O-N 2.94Å; I109-K112 WeakPolarHBondContact O-CB 3.46Å; I109-K112 PolarHBondContact O-N 2.92Å; I109-K112 VanDerWaalsContact O-N 3.08Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 3.31Å; K112-A115 PolarHBondContact O-N 2.88Å; K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 2.7Å |
| 113 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | L93 I109 A110 A116 L117 V123 Y125 L150 I155 | L93-V113 HydrophobicContact CB-CG2 4.16Å; L93-V113 HydrophobicContact CD1-CB 4.43Å; L93-V113 HydrophobicContact CD1-CG2 3.92Å; I109-V113 HydrophobicContact CG2-CG2 4.4Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 3.25Å; A110-V113 PolarHBondContact O-N 3.19Å; V113-A116 PolarHBondContact O-N 2.72Å; V113-L117 HydrophobicContact CG1-CD1 3.76Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CB 3.44Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 2.96Å; V113-V123 HydrophobicContact CG1-CG1 4.34Å; V113-V123 HydrophobicContact CG1-CG2 4.47Å; V113-V123 HydrophobicContact CG2-CG1 4.1Å; V113-Y125 HydrophobicContact CG2-CD2 3.74Å; V113-Y125 HydrophobicContact CG2-CE2 4.22Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.05Å; V113-L150 HydrophobicContact CG2-CD2 3.88Å; V113-I155 HydrophobicContact CG1-CD1 4.1Å |
| 114 | N | 98.6 | Very high | 98.7 | Very high | 45 Ų | 45 | 25 Ų | 25 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 175.9 | -178.1 | 72 | 0 | 0 | 0 | 111.9 | A110 D111 K112 A116 L117 T118 H153 | A110-N114 PolarHBondContact O-N 3.38Å; D111-N114 PolarHBondContact O-N 2.84Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 3.31Å; N114-A116 PolarHBondContact O-N 3.26Å; N114-L117 PolarHBondContact O-N 3.01Å; N114-T118 VanDerWaalsContact O-CG2 3.28Å; N114-T118 WeakPolarHBondContact O-CG2 3.03Å; N114-T118 PolarHBondContact O-N 3.25Å; N114-T118 PolarHBondContact O-OG1 2.86Å; N114-T118 VanDerWaalsContact O-OG1 3.13Å; N114-H153 HydrophobicContact CB-CB 4.07Å; N114-H153 VanDerWaalsContact CB-CD2 3.42Å; N114-H153 WeakPolarHBondContact CB-CD2 3.37Å |
| 115 | A | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I68 D111 K112 L117 T118 T119 | I68-A115 WeakPolarHBondContact O-CB 3.19Å; D111-A115 WeakPolarHBondContact O-CB 3.36Å; D111-A115 PolarHBondContact O-N 3.1Å; K112-A115 PolarHBondContact O-N 2.88Å; A115-L117 PolarHBondContact O-N 2.97Å; A115-T118 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-OG1 3.05Å; A115-T119 PolarHBondContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 2.86Å; A115-T119 VanDerWaalsContact O-OG1 3.06Å |
| 116 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A80 V91 L93 K112 V113 N114 T119 G120 L121 V123 | A80-A116 HydrophobicContact CB-CB 4.44Å; V91-A116 HydrophobicContact CG1-CB 3.62Å; L93-A116 HydrophobicContact CD1-CB 4.03Å; K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 2.7Å; V113-A116 PolarHBondContact O-N 2.72Å; N114-A116 PolarHBondContact O-N 3.26Å; A116-T119 PolarHBondContact O-N 3.16Å; A116-G120 PolarHBondContact O-N 3.16Å; A116-L121 HydrophobicContact CB-CB 4.4Å; A116-L121 WeakPolarHBondContact O-CB 3.24Å; A116-L121 PolarHBondContact O-N 2.88Å; A116-V123 HydrophobicContact CB-CG2 3.82Å |
| 117 | L | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 178.4 | -69.7 | 173.8 | 0 | 0 | 0 | 111.7 | V113 N114 A115 T119 G120 V123 I155 K159 V160 | V113-L117 HydrophobicContact CG1-CD1 3.76Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CB 3.44Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 2.96Å; N114-L117 PolarHBondContact O-N 3.01Å; A115-L117 PolarHBondContact O-N 2.97Å; L117-T119 VanDerWaalsContact C-N 3.32Å; L117-T119 PolarHBondContact O-N 3.36Å; L117-G120 WeakPolarHBondContact O-CA 3.29Å; L117-G120 PolarHBondContact O-N 2.85Å; L117-V123 HydrophobicContact CD2-CG2 3.91Å; L117-V123 HydrophobicContact CG-CG2 3.98Å; L117-I155 HydrophobicContact CD1-CD1 4.07Å; L117-I155 HydrophobicContact CD1-CG2 3.86Å; L117-K159 HydrophobicContact CD2-CB 3.59Å; L117-K159 HydrophobicContact CD2-CD 4.47Å; L117-V160 HydrophobicContact CD1-CG2 4.01Å; L117-V160 HydrophobicContact CD2-CG2 4.1Å |
| 118 | T | 97.9 | Very high | 98.7 | Very high | 103 Ų | 103 | 18.1 Ų | 18.1 | 63% | 0.632 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -66.6 | -31.9 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 113 | N114 A115 G120 | N114-T118 VanDerWaalsContact O-CG2 3.28Å; N114-T118 WeakPolarHBondContact O-CG2 3.03Å; N114-T118 PolarHBondContact O-N 3.25Å; N114-T118 PolarHBondContact O-OG1 2.86Å; N114-T118 VanDerWaalsContact O-OG1 3.13Å; A115-T118 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-OG1 3.05Å; T118-G120 PolarHBondContact O-N 3.13Å |
| 119 | T | 98.1 | Very high | 98.6 | Very high | 23 Ų | 23 | 15.6 Ų | 15.6 | 14% | 0.141 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.7 | -14.7 | 170.8 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | A80 A81 K84 A115 A116 L117 | A80-T119 HydrophobicContact CB-CG2 4.06Å; A81-T119 HydrophobicContact CB-CG2 4.27Å; K84-T119 HydrophobicContact CD-CG2 4.14Å; K84-T119 VanDerWaalsContact CD-O 3.32Å; K84-T119 WeakPolarHBondContact CD-O 3.34Å; K84-T119 PolarHBondContact NZ-O 2.87Å; A115-T119 PolarHBondContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 2.86Å; A115-T119 VanDerWaalsContact O-OG1 3.06Å; A116-T119 PolarHBondContact O-N 3.16Å; L117-T119 VanDerWaalsContact C-N 3.32Å; L117-T119 PolarHBondContact O-N 3.36Å |
| 120 | G | 98 | Very high | 98.5 | Very high | 31 Ų | 31 | 17.1 Ų | 17.1 | 32% | 0.32 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 16.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A116 L117 T118 | A116-G120 PolarHBondContact O-N 3.16Å; L117-G120 WeakPolarHBondContact O-CA 3.29Å; L117-G120 PolarHBondContact O-N 2.85Å; T118-G120 PolarHBondContact O-N 3.13Å |
| 121 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -76.7 | 152.4 | 166.8 | -62.3 | -179.8 | 0 | 0 | 0 | 110.1 | A80 L83 K84 C88 V91 A116 | A80-L121 HydrophobicContact CB-CD1 3.74Å; A80-L121 HydrophobicContact CB-CG 4.5Å; L83-L121 HydrophobicContact CB-CD1 4.06Å; L83-L121 HydrophobicContact CD1-CD1 4.13Å; K84-L121 HydrophobicContact CB-CD2 4.02Å; C88-L121 VanDerWaalsContact O-CD2 3.3Å; C88-L121 WeakPolarHBondContact O-CD2 3.45Å; V91-L121 HydrophobicContact CB-CD1 4.25Å; V91-L121 HydrophobicContact CG1-CB 4.48Å; V91-L121 HydrophobicContact CG1-CD1 4.16Å; A116-L121 HydrophobicContact CB-CB 4.4Å; A116-L121 WeakPolarHBondContact O-CB 3.24Å; A116-L121 PolarHBondContact O-N 2.88Å | ||
| 122 | N | 98.9 | Very high | 98.2 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 157.7 | 161.5 | -56.5 | -73.2 | 0 | 0 | 0 | 109.9 | T89 W90 V91 K159 | T89-N122 WeakPolarHBondContact O-CB 3.44Å; T89-N122 PolarHBondContact O-N 3.07Å; T89-N122 PolarHBondContact O-ND2 2.93Å; W90-N122 CarbonylContact C-O 3.58Å; W90-N122 VanDerWaalsContact CA-O 3.24Å; W90-N122 WeakPolarHBondContact CA-O 3.21Å; W90-N122 HydrophobicContact CD2-CB 3.4Å; W90-N122 HydrophobicContact CE3-CB 3.3Å; W90-N122 HydrophobicContact CG-CB 4.07Å; W90-N122 HydrophobicContact CH2-CB 3.65Å; W90-N122 HydrophobicContact CZ2-CB 3.74Å; W90-N122 HydrophobicContact CZ3-CB 3.44Å; W90-N122 VanDerWaalsContact CZ3-CB 3.44Å; V91-N122 PolarHBondContact N-O 3.16Å; N122-K159 CarbonylContact C-O 3.55Å; N122-K159 VanDerWaalsContact CA-O 3.3Å; N122-K159 WeakPolarHBondContact CA-O 3.27Å; N122-K159 WeakPolarHBondContact CB-O 3.46Å; N122-K159 WeakPolarHBondContact OD1-CB 3.47Å; N122-K159 WeakPolarHBondContact OD1-CG 3.48Å |
| 123 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.9 | -175.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | V91 L93 V113 A116 L117 K159 V160 V161 | V91-V123 HydrophobicContact CG1-CG2 4.05Å; V91-V123 WeakPolarHBondContact O-CA 3.24Å; L93-V123 HydrophobicContact CB-CG1 4.22Å; L93-V123 HydrophobicContact CD1-CG1 4.06Å; L93-V123 HydrophobicContact CD1-CG2 4.3Å; L93-V123 HydrophobicContact CG-CG1 4.42Å; V113-V123 HydrophobicContact CG1-CG1 4.34Å; V113-V123 HydrophobicContact CG1-CG2 4.47Å; V113-V123 HydrophobicContact CG2-CG1 4.1Å; A116-V123 HydrophobicContact CB-CG2 3.82Å; L117-V123 HydrophobicContact CD2-CG2 3.91Å; L117-V123 HydrophobicContact CG-CG2 3.98Å; V123-K159 PolarHBondContact N-O 3.43Å; V123-V160 WeakPolarHBondContact O-CA 3.16Å; V123-V161 PolarHBondContact O-N 2.97Å |
| 124 | I | 99 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104 | 159.6 | -59.8 | 172.7 | 0 | 0 | 0 | 106.5 | W90 V91 I92 L93 V161 A163 M207 L230 | W90-I124 HydrophobicContact CE3-CD1 4.43Å; W90-I124 HydrophobicContact CE3-CG1 3.76Å; W90-I124 HydrophobicContact CZ3-CG1 4.11Å; V91-I124 PolarHBondContact O-N 3.15Å; I92-I124 WeakPolarHBondContact CA-O 3.49Å; I92-I124 HydrophobicContact CG1-CB 4.22Å; I92-I124 HydrophobicContact CG1-CD1 4.25Å; L93-I124 PolarHBondContact N-O 2.98Å; I124-V161 CarbonylContact C-O 3.52Å; I124-V161 WeakPolarHBondContact CA-O 3.43Å; I124-A163 HydrophobicContact CG2-CB 3.82Å; I124-M207 HydrophobicContact CG2-SD 4.43Å; I124-L230 HydrophobicContact CG2-CD2 4.06Å |
| 125 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.1 | -177.9 | 178.8 | -116 | 0 | 0 | 0 | 110.4 | R99 I109 V113 V127 Q146 M147 L150 V161 I162 A163 | R99-Y125 PolarHBondContact NH2-OH 3.27Å; I109-Y125 HydrophobicContact CG2-CD2 4.18Å; I109-Y125 HydrophobicContact CG2-CE2 3.62Å; V113-Y125 HydrophobicContact CG2-CD2 3.74Å; V113-Y125 HydrophobicContact CG2-CE2 4.22Å; Y125-V127 HydrophobicContact CD1-CG1 3.79Å; Y125-V127 HydrophobicContact CE1-CG1 3.25Å; Y125-Q146 PolarHBondContact OH-O 3.49Å; Y125-M147 HydrophobicContact CD1-SD 3.98Å; Y125-M147 HydrophobicContact CE1-SD 3.72Å; Y125-L150 HydrophobicContact CD1-CD1 3.69Å; Y125-L150 HydrophobicContact CD1-CG 4.45Å; Y125-L150 HydrophobicContact CD2-CD1 4.41Å; Y125-L150 HydrophobicContact CD2-CD2 4.36Å; Y125-L150 HydrophobicContact CE1-CD1 3.73Å; Y125-L150 HydrophobicContact CE1-CD2 4.47Å; Y125-L150 HydrophobicContact CE1-CG 4.02Å; Y125-L150 HydrophobicContact CE2-CD1 4.43Å; Y125-L150 HydrophobicContact CE2-CD2 3.95Å; Y125-L150 HydrophobicContact CE2-CG 4.38Å; Y125-L150 HydrophobicContact CG-CD1 4.05Å; Y125-V161 PolarHBondContact N-O 3.12Å; Y125-I162 CarbonylContact O-C 3.53Å; Y125-I162 WeakPolarHBondContact O-CA 3.31Å; Y125-A163 PolarHBondContact O-N 2.92Å |
| 126 | C | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.1 | -177.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | L93 G94 R99 A163 E165 | L93-C126 PolarHBondContact O-N 2.97Å; G94-C126 WeakPolarHBondContact O-CB 3.3Å; R99-C126 PolarHBondContact NH2-O 3.16Å; C126-A163 WeakPolarHBondContact CA-O 3.09Å; C126-E165 PolarHBondContact SG-OE2 2.92Å |
| 127 | V | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.4 | 175.7 | -65 | 0 | 0 | 0 | 0 | 110 | Y125 I143 Q146 M147 I162 A163 Y164 E165 I188 | Y125-V127 HydrophobicContact CD1-CG1 3.79Å; Y125-V127 HydrophobicContact CE1-CG1 3.25Å; V127-I143 HydrophobicContact CG2-CG2 4.43Å; V127-Q146 HydrophobicContact CB-CB 4.45Å; V127-Q146 HydrophobicContact CG1-CB 3.87Å; V127-M147 HydrophobicContact CG1-CG 4.32Å; V127-M147 HydrophobicContact CG1-SD 3.84Å; V127-I162 HydrophobicContact CG2-CG2 3.7Å; V127-A163 PolarHBondContact N-O 2.8Å; V127-Y164 WeakPolarHBondContact O-CA 3.35Å; V127-E165 PolarHBondContact O-N 2.87Å; V127-I188 HydrophobicContact CG2-CD1 4.24Å |
| 128 | G | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | 167 | 157.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q146 E165 | G128-Q146 PolarHBondContact O-NE2 2.73Å; G128-E165 WeakPolarHBondContact CA-O 3.42Å | ||
| 129 | E | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -99.7 | 150.9 | 177.9 | 83.5 | -72.3 | -173.2 | 0 | 0 | 112.1 | E133 R134 T139 V142 Y164 V167 W168 | E129-E133 HydrophobicContact CB-CB 3.94Å; E129-E133 HydrophobicContact CG-CB 4.46Å; E129-R134 HydrophobicContact CG-CB 3.85Å; E129-R134 WeakPolarHBondContact OE1-CD 3.46Å; E129-R134 IonicContact OE1-NH1 2.72Å; E129-R134 PolarHBondContact OE1-NH1 3.18Å; E129-T139 HydrophobicContact CG-CG2 4.14Å; E129-T139 WeakPolarHBondContact CG-OG1 3.5Å; E129-T139 PolarHBondContact OE1-OG1 2.74Å; E129-V142 HydrophobicContact CB-CB 4.25Å; E129-V142 HydrophobicContact CB-CG1 4.16Å; E129-Y164 PolarHBondContact OE1-OH 2.83Å; E129-Y164 VanDerWaalsContact OE2-CE2 3.27Å; E129-Y164 WeakPolarHBondContact OE2-CE2 3.15Å; E129-Y164 PolarHBondContact OE2-OH 2.91Å; E129-V167 WeakPolarHBondContact O-CB 3.48Å; E129-V167 WeakPolarHBondContact O-CG2 3.45Å; E129-V167 PolarHBondContact O-N 2.95Å; E129-W168 PolarHBondContact OE1-NE1 2.67Å | ||
| 130 | T | 96.7 | Very high | 97.3 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | trans | -72 | 164.8 | 168.5 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | Q132 E133 R134 | T130-Q132 VanDerWaalsContact C-N 3.26Å; T130-Q132 PolarHBondContact O-N 3.32Å; T130-E133 WeakPolarHBondContact CB-OE2 3.47Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.5Å; T130-E133 PolarHBondContact N-OE2 2.81Å; T130-E133 PolarHBondContact O-N 3.45Å; T130-E133 WeakPolarHBondContact OG1-CB 3.43Å; T130-E133 VanDerWaalsContact OG1-CD 3.24Å; T130-E133 VanDerWaalsContact OG1-CG 3.25Å; T130-E133 WeakPolarHBondContact OG1-CG 3.48Å; T130-E133 PolarHBondContact OG1-N 3.43Å; T130-E133 PolarHBondContact OG1-OE2 3.5Å; T130-R134 PolarHBondContact O-N 2.89Å | ||
| 131 | L | 94.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 52 Ų | 52 | 45% | 0.45 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 175.3 | -175.2 | 58 | 0 | 0 | 0 | 111.1 | E133 R134 E135 W168 | L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.99Å; L131-R134 WeakPolarHBondContact O-CB 3.34Å; L131-R134 PolarHBondContact O-N 3.36Å; L131-E135 HydrophobicContact CD1-CG 4.17Å; L131-E135 HydrophobicContact CG-CG 4.34Å; L131-E135 WeakPolarHBondContact O-CB 3.47Å; L131-E135 WeakPolarHBondContact O-CG 3.17Å; L131-E135 PolarHBondContact O-N 3.5Å; L131-W168 HydrophobicContact CB-CB 3.81Å; L131-W168 HydrophobicContact CB-CG 4.47Å; L131-W168 HydrophobicContact CD1-CB 4.06Å; L131-W168 HydrophobicContact CD1-CG 4.22Å; L131-W168 HydrophobicContact CG-CB 4.46Å |
| 132 | Q | 95.7 | Very high | 97.3 | Very high | 157 Ų | 157 | 52.1 Ų | 52.1 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 179.3 | -173.2 | -177.6 | 9.7 | 0 | 0 | 111.9 | T130 A136 | T130-Q132 VanDerWaalsContact C-N 3.26Å; T130-Q132 PolarHBondContact O-N 3.32Å; Q132-A136 VanDerWaalsContact O-CB 3.23Å; Q132-A136 WeakPolarHBondContact O-CB 3.43Å; Q132-A136 PolarHBondContact O-N 3.42Å |
| 133 | E | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -37.1 | 176.5 | -72.1 | 162.4 | 145.8 | 0 | 0 | 111.8 | E129 T130 L131 A136 N137 K138 V142 R145 | E129-E133 HydrophobicContact CB-CB 3.94Å; E129-E133 HydrophobicContact CG-CB 4.46Å; T130-E133 WeakPolarHBondContact CB-OE2 3.47Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.5Å; T130-E133 PolarHBondContact N-OE2 2.81Å; T130-E133 PolarHBondContact O-N 3.45Å; T130-E133 WeakPolarHBondContact OG1-CB 3.43Å; T130-E133 VanDerWaalsContact OG1-CD 3.24Å; T130-E133 VanDerWaalsContact OG1-CG 3.25Å; T130-E133 WeakPolarHBondContact OG1-CG 3.48Å; T130-E133 PolarHBondContact OG1-N 3.43Å; T130-E133 PolarHBondContact OG1-OE2 3.5Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-E133 PolarHBondContact O-N 2.99Å; E133-A136 CarbonylContact O-C 3.26Å; E133-A136 PolarHBondContact O-N 3.19Å; E133-N137 PolarHBondContact O-N 2.96Å; E133-K138 HydrophobicContact CB-CB 4.26Å; E133-K138 WeakPolarHBondContact O-CA 3.4Å; E133-K138 WeakPolarHBondContact O-CB 3.23Å; E133-K138 PolarHBondContact O-N 2.94Å; E133-V142 HydrophobicContact CB-CG2 3.98Å; E133-V142 HydrophobicContact CG-CG2 3.79Å; E133-V142 VanDerWaalsContact OE1-CG2 3.28Å; E133-V142 WeakPolarHBondContact OE1-CG2 3.23Å; E133-R145 IonicContact OE1-NH2 3.47Å |
| 134 | R | 94.6 | Very high | 97.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 174.2 | 179.7 | 60.6 | 174.7 | -129.2 | 18.4 | 111.4 | E129 T130 L131 A136 N137 T139 E183 | E129-R134 HydrophobicContact CG-CB 3.85Å; E129-R134 WeakPolarHBondContact OE1-CD 3.46Å; E129-R134 IonicContact OE1-NH1 2.72Å; E129-R134 PolarHBondContact OE1-NH1 3.18Å; T130-R134 PolarHBondContact O-N 2.89Å; L131-R134 WeakPolarHBondContact O-CB 3.34Å; L131-R134 PolarHBondContact O-N 3.36Å; R134-A136 PolarHBondContact O-N 3.31Å; R134-N137 PolarHBondContact O-N 3.05Å; R134-T139 WeakPolarHBondContact CD-OG1 3.36Å; R134-E183 IonicContact NH2-OE2 2.7Å |
| 135 | E | 94 | Very high | 97.2 | Very high | 140 Ų | 140 | 57.6 Ų | 57.6 | 65% | 0.654 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.7 | -28.6 | 179.3 | -71 | 175.1 | 162.1 | 0 | 0 | 112 | L131 N137 | L131-E135 HydrophobicContact CD1-CG 4.17Å; L131-E135 HydrophobicContact CG-CG 4.34Å; L131-E135 WeakPolarHBondContact O-CB 3.47Å; L131-E135 WeakPolarHBondContact O-CG 3.17Å; L131-E135 PolarHBondContact O-N 3.5Å; E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 2.85Å |
| 136 | A | 97.5 | Very high | 97.2 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q132 E133 R134 K138 | Q132-A136 VanDerWaalsContact O-CB 3.23Å; Q132-A136 WeakPolarHBondContact O-CB 3.43Å; Q132-A136 PolarHBondContact O-N 3.42Å; E133-A136 CarbonylContact O-C 3.26Å; E133-A136 PolarHBondContact O-N 3.19Å; R134-A136 PolarHBondContact O-N 3.31Å; A136-K138 HydrophobicContact CB-CD 4.32Å; A136-K138 HydrophobicContact CB-CG 4.05Å; A136-K138 PolarHBondContact O-N 3.27Å |
| 137 | N | 96.4 | Very high | 97.2 | Very high | 152 Ų | 152 | 57.7 Ų | 57.7 | 81% | 0.813 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 30.8 | -176.5 | -61.9 | -58.9 | 0 | 0 | 0 | 114.6 | E133 R134 E135 | E133-N137 PolarHBondContact O-N 2.96Å; R134-N137 PolarHBondContact O-N 3.05Å; E135-N137 VanDerWaalsContact C-N 3.29Å; E135-N137 PolarHBondContact O-N 2.85Å |
| 138 | K | 97.7 | Very high | 97.2 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | trans | -97.3 | 4.6 | -178.5 | -62.8 | -169.1 | 174.7 | -169.9 | 0 | 114.4 | E133 A136 K140 E141 V142 | E133-K138 HydrophobicContact CB-CB 4.26Å; E133-K138 WeakPolarHBondContact O-CA 3.4Å; E133-K138 WeakPolarHBondContact O-CB 3.23Å; E133-K138 PolarHBondContact O-N 2.94Å; A136-K138 HydrophobicContact CB-CD 4.32Å; A136-K138 HydrophobicContact CB-CG 4.05Å; A136-K138 PolarHBondContact O-N 3.27Å; K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 3.08Å; K138-E141 HydrophobicContact CB-CB 4.49Å; K138-E141 WeakPolarHBondContact O-CB 3.45Å; K138-E141 PolarHBondContact O-N 2.67Å; K138-V142 HydrophobicContact CB-CG2 4.22Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 2.9Å | ||
| 139 | T | 96 | Very high | 97.2 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -47.6 | -51.2 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | E129 R134 E141 V142 I143 W187 | E129-T139 HydrophobicContact CG-CG2 4.14Å; E129-T139 WeakPolarHBondContact CG-OG1 3.5Å; E129-T139 PolarHBondContact OE1-OG1 2.74Å; R134-T139 WeakPolarHBondContact CD-OG1 3.36Å; T139-E141 PolarHBondContact O-N 3.33Å; T139-V142 PolarHBondContact O-N 3.48Å; T139-I143 HydrophobicContact CG2-CD1 3.68Å; T139-I143 WeakPolarHBondContact O-CB 3.45Å; T139-I143 VanDerWaalsContact O-CG1 3.27Å; T139-I143 WeakPolarHBondContact O-CG1 3.27Å; T139-I143 PolarHBondContact O-N 3.21Å; T139-W187 HydrophobicContact CG2-CE3 4.4Å; T139-W187 HydrophobicContact CG2-CZ3 3.97Å |
| 140 | K | 96.7 | Very high | 97.2 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | -179.8 | -172 | 175.3 | 179.4 | 178.7 | 0 | 112.7 | K138 S144 W187 | K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 3.08Å; K140-S144 WeakPolarHBondContact O-CB 3.36Å; K140-S144 PolarHBondContact O-N 2.93Å; K140-S144 PolarHBondContact O-OG 3.06Å; K140-W187 HydrophobicContact CB-CD2 4.39Å; K140-W187 HydrophobicContact CB-CE3 3.95Å; K140-W187 HydrophobicContact CB-CZ3 4.25Å; K140-W187 HydrophobicContact CD-CD2 4.36Å; K140-W187 HydrophobicContact CD-CG 4.39Å; K140-W187 HydrophobicContact CG-CD2 4.48Å; K140-W187 HydrophobicContact CG-CE3 4.46Å |
| 141 | E | 98.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 177.2 | -176.1 | -167.6 | 146.7 | 0 | 0 | 110.9 | K138 T139 S144 R145 | K138-E141 HydrophobicContact CB-CB 4.49Å; K138-E141 WeakPolarHBondContact O-CB 3.45Å; K138-E141 PolarHBondContact O-N 2.67Å; T139-E141 PolarHBondContact O-N 3.33Å; E141-S144 PolarHBondContact O-N 3.39Å; E141-R145 WeakPolarHBondContact O-CB 3.32Å; E141-R145 PolarHBondContact O-N 3.44Å |
| 142 | V | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -49.7 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E129 E133 K138 T139 S144 R145 Q146 | E129-V142 HydrophobicContact CB-CB 4.25Å; E129-V142 HydrophobicContact CB-CG1 4.16Å; E133-V142 HydrophobicContact CB-CG2 3.98Å; E133-V142 HydrophobicContact CG-CG2 3.79Å; E133-V142 VanDerWaalsContact OE1-CG2 3.28Å; E133-V142 WeakPolarHBondContact OE1-CG2 3.23Å; K138-V142 HydrophobicContact CB-CG2 4.22Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 2.9Å; T139-V142 PolarHBondContact O-N 3.48Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 3.19Å; V142-R145 PolarHBondContact O-N 3Å; V142-Q146 WeakPolarHBondContact O-CG 3.11Å; V142-Q146 PolarHBondContact O-N 2.98Å |
| 143 | I | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.5 | -67.4 | 170.1 | 0 | 0 | 0 | 110.1 | V127 T139 R145 Q146 M147 Y164 I188 | V127-I143 HydrophobicContact CG2-CG2 4.43Å; T139-I143 HydrophobicContact CG2-CD1 3.68Å; T139-I143 WeakPolarHBondContact O-CB 3.45Å; T139-I143 VanDerWaalsContact O-CG1 3.27Å; T139-I143 WeakPolarHBondContact O-CG1 3.27Å; T139-I143 PolarHBondContact O-N 3.21Å; I143-R145 VanDerWaalsContact C-N 3.34Å; I143-R145 PolarHBondContact O-N 3.19Å; I143-Q146 PolarHBondContact O-N 3.33Å; I143-M147 HydrophobicContact CG2-CG 4.13Å; I143-M147 WeakPolarHBondContact O-CB 3.47Å; I143-M147 WeakPolarHBondContact O-CG 3.42Å; I143-M147 PolarHBondContact O-N 2.87Å; I143-Y164 HydrophobicContact CD1-CD2 3.89Å; I143-Y164 HydrophobicContact CD1-CE2 3.64Å; I143-Y164 HydrophobicContact CG1-CE2 4.48Å; I143-I188 HydrophobicContact CD1-CD1 4.44Å; I143-I188 HydrophobicContact CD1-CG1 4.49Å; I143-I188 HydrophobicContact CG2-CD1 4.18Å; I143-I188 HydrophobicContact CG2-CG1 3.52Å |
| 144 | S | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 65.6 Ų | 65.6 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 178.6 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | K140 E141 V142 A148 | K140-S144 WeakPolarHBondContact O-CB 3.36Å; K140-S144 PolarHBondContact O-N 2.93Å; K140-S144 PolarHBondContact O-OG 3.06Å; E141-S144 PolarHBondContact O-N 3.39Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 3.19Å; S144-A148 WeakPolarHBondContact O-CB 3.47Å; S144-A148 PolarHBondContact O-N 2.93Å |
| 145 | R | 98.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 64.5 Ų | 64.5 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 175.9 | 173.2 | -179.8 | 57.3 | 93.2 | -7.6 | 111.6 | D106 E133 E141 V142 I143 A148 A149 | D106-R145 IonicContact OD1-NH1 3.26Å; D106-R145 IonicContact OD2-CZ 3.76Å; D106-R145 IonicContact OD2-NH1 3.08Å; D106-R145 PolarHBondContact OD2-NH1 2.73Å; E133-R145 IonicContact OE1-NH2 3.47Å; E141-R145 WeakPolarHBondContact O-CB 3.32Å; E141-R145 PolarHBondContact O-N 3.44Å; V142-R145 PolarHBondContact O-N 3Å; I143-R145 VanDerWaalsContact C-N 3.34Å; I143-R145 PolarHBondContact O-N 3.19Å; R145-A148 PolarHBondContact O-N 3.41Å; R145-A149 PolarHBondContact O-N 3.31Å |
| 146 | Q | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -49.3 | 179.3 | -69 | 170.1 | -4.6 | 0 | 0 | 110.5 | D106 Y125 V127 G128 V142 I143 A148 A149 | D106-Q146 WeakPolarHBondContact OD1-CG 3.46Å; Y125-Q146 PolarHBondContact OH-O 3.49Å; V127-Q146 HydrophobicContact CB-CB 4.45Å; V127-Q146 HydrophobicContact CG1-CB 3.87Å; G128-Q146 PolarHBondContact O-NE2 2.73Å; V142-Q146 WeakPolarHBondContact O-CG 3.11Å; V142-Q146 PolarHBondContact O-N 2.98Å; I143-Q146 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.06Å; Q146-A149 WeakPolarHBondContact O-CB 3.49Å; Q146-A149 PolarHBondContact O-N 3.42Å |
| 147 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.6 | -68.6 | -63 | -66.3 | 0 | 0 | 112.9 | Y125 V127 I143 A149 L150 W157 I162 W191 V192 | Y125-M147 HydrophobicContact CD1-SD 3.98Å; Y125-M147 HydrophobicContact CE1-SD 3.72Å; V127-M147 HydrophobicContact CG1-CG 4.32Å; V127-M147 HydrophobicContact CG1-SD 3.84Å; I143-M147 HydrophobicContact CG2-CG 4.13Å; I143-M147 WeakPolarHBondContact O-CB 3.47Å; I143-M147 WeakPolarHBondContact O-CG 3.42Å; I143-M147 PolarHBondContact O-N 2.87Å; M147-A149 PolarHBondContact O-N 2.87Å; M147-L150 WeakPolarHBondContact O-CB 3.34Å; M147-L150 PolarHBondContact O-N 3.17Å; M147-L150 VanDerWaalsContact O-N 3.15Å; M147-W157 HydrophobicContact CE-CH2 3.61Å; M147-W157 HydrophobicContact CE-CZ3 3.81Å; M147-I162 HydrophobicContact CE-CD1 3.42Å; M147-I162 VanDerWaalsContact CE-CD1 3.42Å; M147-I162 HydrophobicContact CE-CG1 4.06Å; M147-I162 HydrophobicContact SD-CD1 4.26Å; M147-I162 HydrophobicContact SD-CG1 4.43Å; M147-I162 HydrophobicContact SD-CG2 4.25Å; M147-W191 VanDerWaalsContact C-CH2 3.49Å; M147-W191 HydrophobicContact CB-CD2 3.96Å; M147-W191 HydrophobicContact CB-CE3 3.8Å; M147-W191 HydrophobicContact CB-CH2 3.7Å; M147-W191 HydrophobicContact CB-CZ2 3.84Å; M147-W191 HydrophobicContact CB-CZ3 3.69Å; M147-W191 HydrophobicContact CE-CE3 4.08Å; M147-W191 HydrophobicContact CE-CZ3 4.05Å; M147-W191 HydrophobicContact CG-CE3 4.41Å; M147-W191 WeakPolarHBondContact O-CH2 3.43Å; M147-V192 HydrophobicContact CE-CG2 3.95Å |
| 148 | A | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -30.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S144 R145 Q146 L150 L151 W191 | S144-A148 WeakPolarHBondContact O-CB 3.47Å; S144-A148 PolarHBondContact O-N 2.93Å; R145-A148 PolarHBondContact O-N 3.41Å; Q146-A148 PolarHBondContact O-N 3.06Å; A148-L150 PolarHBondContact O-N 3.28Å; A148-L151 WeakPolarHBondContact O-CB 3.44Å; A148-L151 PolarHBondContact O-N 3.14Å; A148-W191 HydrophobicContact CB-CZ2 3.93Å |
| 149 | A | 98.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -28.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D106 A110 R145 Q146 M147 L151 K152 | D106-A149 HydrophobicContact CB-CB 3.59Å; A110-A149 HydrophobicContact CB-CB 4.23Å; A110-A149 WeakPolarHBondContact CB-O 3.37Å; R145-A149 PolarHBondContact O-N 3.31Å; Q146-A149 WeakPolarHBondContact O-CB 3.49Å; Q146-A149 PolarHBondContact O-N 3.42Å; M147-A149 PolarHBondContact O-N 2.87Å; A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.01Å; A149-K152 WeakPolarHBondContact O-CG 3.38Å |
| 150 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -67.9 | -25.5 | 175.9 | -63.6 | -167.3 | 0 | 0 | 0 | 113 | A110 V113 Y125 M147 A148 K152 H153 I155 W157 | A110-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CB-CD2 3.94Å; V113-L150 HydrophobicContact CG1-CD2 4.05Å; V113-L150 HydrophobicContact CG2-CD2 3.88Å; Y125-L150 HydrophobicContact CD1-CD1 3.69Å; Y125-L150 HydrophobicContact CD1-CG 4.45Å; Y125-L150 HydrophobicContact CD2-CD1 4.41Å; Y125-L150 HydrophobicContact CD2-CD2 4.36Å; Y125-L150 HydrophobicContact CE1-CD1 3.73Å; Y125-L150 HydrophobicContact CE1-CD2 4.47Å; Y125-L150 HydrophobicContact CE1-CG 4.02Å; Y125-L150 HydrophobicContact CE2-CD1 4.43Å; Y125-L150 HydrophobicContact CE2-CD2 3.95Å; Y125-L150 HydrophobicContact CE2-CG 4.38Å; Y125-L150 HydrophobicContact CG-CD1 4.05Å; M147-L150 WeakPolarHBondContact O-CB 3.34Å; M147-L150 PolarHBondContact O-N 3.17Å; M147-L150 VanDerWaalsContact O-N 3.15Å; A148-L150 PolarHBondContact O-N 3.28Å; L150-K152 PolarHBondContact O-N 3.38Å; L150-K152 VanDerWaalsContact O-N 3.15Å; L150-H153 PolarHBondContact O-N 2.81Å; L150-H153 VanDerWaalsContact O-N 3.12Å; L150-I155 HydrophobicContact CB-CG1 4.08Å; L150-I155 WeakPolarHBondContact O-CG1 3.45Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å |
| 151 | L | 97.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -69.4 | -10.6 | -176.9 | -57.4 | -178.9 | 0 | 0 | 0 | 113.5 | A148 A149 H153 W191 N195 V196 | A148-L151 WeakPolarHBondContact O-CB 3.44Å; A148-L151 PolarHBondContact O-N 3.14Å; A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.01Å; L151-H153 PolarHBondContact O-N 3.21Å; L151-W191 HydrophobicContact CD1-CH2 3.71Å; L151-W191 HydrophobicContact CD1-CZ2 3.97Å; L151-W191 HydrophobicContact CD2-CH2 4.01Å; L151-W191 HydrophobicContact CG-CH2 3.86Å; L151-N195 HydrophobicContact CD1-CB 4.21Å; L151-V196 HydrophobicContact CD2-CG2 4.11Å |
| 152 | K | 96.8 | Very high | 97.8 | Very high | 98 Ų | 98 | 44 Ų | 44 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -65.5 | -20.2 | 171.7 | 84.8 | -173.6 | -162.4 | 173.4 | 0 | 112.5 | A107 A110 D111 A149 L150 | A107-K152 PolarHBondContact O-NZ 3.23Å; A110-K152 HydrophobicContact CB-CD 4.08Å; A110-K152 HydrophobicContact CB-CG 4.47Å; D111-K152 WeakPolarHBondContact OD1-CE 3.46Å; D111-K152 IonicContact OD1-NZ 3.31Å; D111-K152 PolarHBondContact OD1-NZ 3.37Å; D111-K152 IonicContact OD2-NZ 3.46Å; D111-K152 PolarHBondContact OD2-NZ 2.84Å; A149-K152 WeakPolarHBondContact O-CG 3.38Å; L150-K152 PolarHBondContact O-N 3.38Å; L150-K152 VanDerWaalsContact O-N 3.15Å |
| 153 | H | 97.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 22% | 0.222 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -117.1 | 158.5 | 179.7 | -67.1 | -57 | 0 | 0 | 0 | 111 | A110 D111 N114 L150 L151 I155 | A110-H153 PolarHBondContact O-CD2 2.96Å; A110-H153 VanDerWaalsContact O-CD2 3.31Å; D111-H153 IonicContact OD1-CD2 3.88Å; D111-H153 IonicContact OD1-CE1 2.67Å; D111-H153 PolarHBondContact OD1-CE1 2.75Å; D111-H153 IonicContact OD1-NE2 2.74Å; D111-H153 PolarHBondContact OD1-NE2 2.94Å; N114-H153 HydrophobicContact CB-CB 4.07Å; N114-H153 VanDerWaalsContact CB-CD2 3.42Å; N114-H153 WeakPolarHBondContact CB-CD2 3.37Å; L150-H153 PolarHBondContact O-N 2.81Å; L150-H153 VanDerWaalsContact O-N 3.12Å; L151-H153 PolarHBondContact O-N 3.21Å; H153-I155 HydrophobicContact CB-CD1 3.84Å; H153-I155 PolarHBondContact O-N 3.36Å; H153-I155 VanDerWaalsContact O-N 3.12Å |
| 154 | K | 95.3 | Very high | 97.9 | Very high | 208 Ų | 208 | 43.6 Ų | 43.6 | 90% | 0.904 | 22% | 0.215 | S | C | * | . | trans | -82.1 | 87.4 | 171.8 | -70.1 | -174.2 | -180 | -179.2 | 0 | 110 | ||||
| 155 | I | 97.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | trans | -76.2 | 127.4 | -175.9 | -57.3 | -58.1 | 0 | 0 | 0 | 112 | V113 L117 L150 H153 W157 V160 | V113-I155 HydrophobicContact CG1-CD1 4.1Å; L117-I155 HydrophobicContact CD1-CD1 4.07Å; L117-I155 HydrophobicContact CD1-CG2 3.86Å; L150-I155 HydrophobicContact CB-CG1 4.08Å; L150-I155 WeakPolarHBondContact O-CG1 3.45Å; H153-I155 HydrophobicContact CB-CD1 3.84Å; H153-I155 PolarHBondContact O-N 3.36Å; H153-I155 VanDerWaalsContact O-N 3.12Å; I155-W157 HydrophobicContact CG2-CD2 3.99Å; I155-W157 HydrophobicContact CG2-CG 4.05Å; I155-W157 HydrophobicContact CG2-CZ2 4.43Å; I155-W157 PolarHBondContact O-N 3.25Å; I155-W157 VanDerWaalsContact O-N 3.14Å; I155-V160 HydrophobicContact CG2-CG2 3.77Å | ||
| 156 | E | 96.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 37 Ų | 37 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | trans | -80.1 | 83.5 | 167.8 | -168.5 | -168.5 | 152.7 | 0 | 0 | 109.9 | T158 K159 | E156-T158 VanDerWaalsContact CG-OG1 3.31Å; E156-T158 WeakPolarHBondContact CG-OG1 3.43Å; E156-T158 PolarHBondContact O-N 3.22Å; E156-T158 PolarHBondContact OE1-OG1 2.79Å; E156-K159 HydrophobicContact CG-CG 4.5Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 WeakPolarHBondContact OE1-CE 3.37Å; E156-K159 IonicContact OE1-NZ 3.79Å; E156-K159 PolarHBondContact OE1-NZ 2.91Å; E156-K159 WeakPolarHBondContact OE2-CD 3.44Å; E156-K159 WeakPolarHBondContact OE2-CE 3.44Å; E156-K159 IonicContact OE2-NZ 2.73Å; E156-K159 PolarHBondContact OE2-NZ 2.85Å | ||
| 157 | W | 96.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61.1 | -17.9 | -173.8 | -70.5 | 89.2 | 0 | 0 | 0 | 115.1 | M147 L150 I155 K159 V160 I162 W191 V192 V196 T200 F203 V204 | M147-W157 HydrophobicContact CE-CH2 3.61Å; M147-W157 HydrophobicContact CE-CZ3 3.81Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; I155-W157 HydrophobicContact CG2-CD2 3.99Å; I155-W157 HydrophobicContact CG2-CG 4.05Å; I155-W157 HydrophobicContact CG2-CZ2 4.43Å; I155-W157 PolarHBondContact O-N 3.25Å; I155-W157 VanDerWaalsContact O-N 3.14Å; W157-K159 PolarHBondContact O-N 2.81Å; W157-V160 HydrophobicContact CE3-CB 4.33Å; W157-V160 HydrophobicContact CE3-CG1 4.3Å; W157-V160 HydrophobicContact CZ3-CG1 4.36Å; W157-V160 PolarHBondContact O-N 2.99Å; W157-V160 VanDerWaalsContact O-N 3.16Å; W157-I162 HydrophobicContact CZ3-CD1 4.13Å; W157-I162 HydrophobicContact CZ3-CG1 4.45Å; W157-W191 HydrophobicContact CH2-CZ3 4.5Å; W157-V192 HydrophobicContact CZ3-CG2 4.41Å; W157-V196 VanDerWaalsContact CD1-CG1 3.48Å; W157-V196 HydrophobicContact CD2-CG1 4.39Å; W157-V196 HydrophobicContact CD2-CG2 4.41Å; W157-V196 HydrophobicContact CG-CG1 4.16Å; W157-V196 HydrophobicContact CH2-CG2 4.24Å; W157-V196 HydrophobicContact CZ2-CG2 3.45Å; W157-V196 VanDerWaalsContact CZ2-CG2 3.45Å; W157-V196 VanDerWaalsContact NE1-CG1 3.28Å; W157-T200 HydrophobicContact CB-CG2 3.35Å; W157-T200 HydrophobicContact CD2-CG2 3.96Å; W157-T200 HydrophobicContact CE3-CG2 4.35Å; W157-T200 HydrophobicContact CG-CG2 3.53Å; W157-F203 HydrophobicContact CB-CE2 4.4Å; W157-F203 HydrophobicContact CB-CZ 4.2Å; W157-V204 HydrophobicContact CE3-CG2 4.35Å |
| 158 | T | 96.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 53% | 0.528 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -64 | -19.6 | 172.3 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | E156 F203 | E156-T158 VanDerWaalsContact CG-OG1 3.31Å; E156-T158 WeakPolarHBondContact CG-OG1 3.43Å; E156-T158 PolarHBondContact O-N 3.22Å; E156-T158 PolarHBondContact OE1-OG1 2.79Å; T158-F203 HydrophobicContact CG2-CE1 4.32Å; T158-F203 HydrophobicContact CG2-CE2 3.79Å; T158-F203 HydrophobicContact CG2-CZ 3.62Å |
| 159 | K | 98.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 38.2 Ų | 38.2 | 24% | 0.243 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -104.7 | 7.6 | 176.4 | -67.1 | -176 | -179.3 | 148.2 | 0 | 113.5 | L117 N122 V123 E156 W157 | L117-K159 HydrophobicContact CD2-CB 3.59Å; L117-K159 HydrophobicContact CD2-CD 4.47Å; N122-K159 CarbonylContact C-O 3.55Å; N122-K159 VanDerWaalsContact CA-O 3.3Å; N122-K159 WeakPolarHBondContact CA-O 3.27Å; N122-K159 WeakPolarHBondContact CB-O 3.46Å; N122-K159 WeakPolarHBondContact OD1-CB 3.47Å; N122-K159 WeakPolarHBondContact OD1-CG 3.48Å; V123-K159 PolarHBondContact N-O 3.43Å; E156-K159 HydrophobicContact CG-CG 4.5Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 WeakPolarHBondContact OE1-CE 3.37Å; E156-K159 IonicContact OE1-NZ 3.79Å; E156-K159 PolarHBondContact OE1-NZ 2.91Å; E156-K159 WeakPolarHBondContact OE2-CD 3.44Å; E156-K159 WeakPolarHBondContact OE2-CE 3.44Å; E156-K159 IonicContact OE2-NZ 2.73Å; E156-K159 PolarHBondContact OE2-NZ 2.85Å; W157-K159 PolarHBondContact O-N 2.81Å |
| 160 | V | 98.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.2 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | L117 V123 I155 W157 | L117-V160 HydrophobicContact CD1-CG2 4.01Å; L117-V160 HydrophobicContact CD2-CG2 4.1Å; V123-V160 WeakPolarHBondContact O-CA 3.16Å; I155-V160 HydrophobicContact CG2-CG2 3.77Å; W157-V160 HydrophobicContact CE3-CB 4.33Å; W157-V160 HydrophobicContact CE3-CG1 4.3Å; W157-V160 HydrophobicContact CZ3-CG1 4.36Å; W157-V160 PolarHBondContact O-N 2.99Å; W157-V160 VanDerWaalsContact O-N 3.16Å |
| 161 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.8 | 165.1 | 177 | 0 | 0 | 0 | 0 | 107.3 | I7 W90 V123 I124 Y125 R205 M207 | I7-V161 HydrophobicContact CD1-CG2 4.09Å; I7-V161 HydrophobicContact CG2-CG1 4.2Å; W90-V161 HydrophobicContact CH2-CG2 3.57Å; W90-V161 HydrophobicContact CZ3-CB 4.16Å; W90-V161 HydrophobicContact CZ3-CG2 3.65Å; V123-V161 PolarHBondContact O-N 2.97Å; I124-V161 CarbonylContact C-O 3.52Å; I124-V161 WeakPolarHBondContact CA-O 3.43Å; Y125-V161 PolarHBondContact N-O 3.12Å; V161-R205 HydrophobicContact CG1-CB 4.02Å; V161-R205 HydrophobicContact CG2-CB 4.18Å; V161-M207 HydrophobicContact CG1-CG 3.46Å; V161-M207 VanDerWaalsContact CG1-CG 3.46Å; V161-M207 HydrophobicContact CG1-SD 3.37Å; V161-M207 WeakPolarHBondContact CG1-SD 3.43Å |
| 162 | I | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.6 | 178.7 | -57.6 | 161.1 | 0 | 0 | 0 | 107.5 | Y125 V127 M147 W157 I188 V192 V204 R205 I206 M207 | Y125-I162 CarbonylContact O-C 3.53Å; Y125-I162 WeakPolarHBondContact O-CA 3.31Å; V127-I162 HydrophobicContact CG2-CG2 3.7Å; M147-I162 HydrophobicContact CE-CD1 3.42Å; M147-I162 VanDerWaalsContact CE-CD1 3.42Å; M147-I162 HydrophobicContact CE-CG1 4.06Å; M147-I162 HydrophobicContact SD-CD1 4.26Å; M147-I162 HydrophobicContact SD-CG1 4.43Å; M147-I162 HydrophobicContact SD-CG2 4.25Å; W157-I162 HydrophobicContact CZ3-CD1 4.13Å; W157-I162 HydrophobicContact CZ3-CG1 4.45Å; I162-I188 HydrophobicContact CD1-CG2 3.67Å; I162-I188 HydrophobicContact CG2-CG2 4.11Å; I162-V192 HydrophobicContact CD1-CG2 4.03Å; I162-V204 HydrophobicContact CD1-CG2 3.94Å; I162-V204 HydrophobicContact CG1-CG2 4.28Å; I162-R205 PolarHBondContact N-O 2.9Å; I162-I206 HydrophobicContact CB-CG2 4.41Å; I162-I206 HydrophobicContact CD1-CG1 4.49Å; I162-I206 HydrophobicContact CG2-CG2 4.45Å; I162-I206 CarbonylContact O-C 3.59Å; I162-I206 WeakPolarHBondContact O-CA 3.36Å; I162-M207 PolarHBondContact O-N 2.95Å |
| 163 | A | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I124 Y125 C126 V127 E165 M207 L230 | I124-A163 HydrophobicContact CG2-CB 3.82Å; Y125-A163 PolarHBondContact O-N 2.92Å; C126-A163 WeakPolarHBondContact CA-O 3.09Å; V127-A163 PolarHBondContact N-O 2.8Å; A163-E165 HydrophobicContact CB-CG 4.18Å; A163-E165 PolarHBondContact O-N 3.4Å; A163-M207 CarbonylContact C-O 3.41Å; A163-M207 WeakPolarHBondContact CA-O 3.38Å; A163-M207 HydrophobicContact CB-CB 4.42Å; A163-L230 HydrophobicContact CB-CB 4.25Å; A163-L230 HydrophobicContact CB-CD2 3.79Å |
| 164 | Y | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 111.4 | 168.8 | 173.1 | -122.1 | 0 | 0 | 0 | 109.3 | V127 E129 I143 P166 A184 H185 I188 M207 Y208 G209 | V127-Y164 WeakPolarHBondContact O-CA 3.35Å; E129-Y164 PolarHBondContact OE1-OH 2.83Å; E129-Y164 VanDerWaalsContact OE2-CE2 3.27Å; E129-Y164 WeakPolarHBondContact OE2-CE2 3.15Å; E129-Y164 PolarHBondContact OE2-OH 2.91Å; I143-Y164 HydrophobicContact CD1-CD2 3.89Å; I143-Y164 HydrophobicContact CD1-CE2 3.64Å; I143-Y164 HydrophobicContact CG1-CE2 4.48Å; Y164-P166 HydrophobicContact CE1-CG 4.02Å; Y164-A184 HydrophobicContact CD1-CB 3.72Å; Y164-A184 HydrophobicContact CD2-CB 4.39Å; Y164-A184 HydrophobicContact CE1-CB 3.25Å; Y164-A184 HydrophobicContact CE2-CB 4.01Å; Y164-A184 HydrophobicContact CG-CB 4.27Å; Y164-A184 VanDerWaalsContact CZ-CB 3.42Å; Y164-H185 AromaticContact CD1-CD2 3.67Å; Y164-H185 AromaticContact CD1-NE2 3.79Å; Y164-I188 HydrophobicContact CD2-CD1 4.13Å; Y164-I188 HydrophobicContact CG-CD1 3.99Å; Y164-M207 PolarHBondContact N-O 3.39Å; Y164-Y208 HydrophobicContact CD1-CD2 4.16Å; Y164-G209 PolarHBondContact O-N 3.06Å |
| 165 | E | 98 | Very high | 93 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | trans | -127.2 | 88.8 | -178.6 | -51.3 | -167.1 | 96.2 | 0 | 0 | 110.2 | H95 C126 V127 G128 A163 V167 I170 G209 | H95-E165 IonicContact CD2-OE2 3.82Å; H95-E165 PolarHBondContact CD2-OE2 2.74Å; H95-E165 VanDerWaalsContact CD2-OE2 3.26Å; H95-E165 IonicContact NE2-OE2 3.63Å; C126-E165 PolarHBondContact SG-OE2 2.92Å; V127-E165 PolarHBondContact O-N 2.87Å; G128-E165 WeakPolarHBondContact CA-O 3.42Å; A163-E165 HydrophobicContact CB-CG 4.18Å; A163-E165 PolarHBondContact O-N 3.4Å; E165-V167 PolarHBondContact O-N 3.33Å; E165-I170 HydrophobicContact CB-CD1 3.88Å; E165-I170 HydrophobicContact CB-CG1 4.4Å; E165-G209 WeakPolarHBondContact CA-O 3.45Å | ||
| 166 | P | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -55 | 119.8 | 172 | 15.8 | -24.1 | 0 | 0 | 0 | 108.8 | Y164 W168 A169 A176 Y208 G209 | Y164-P166 HydrophobicContact CE1-CG 4.02Å; P166-W168 HydrophobicContact CB-CD2 4.04Å; P166-W168 VanDerWaalsContact CB-CE2 3.43Å; P166-W168 HydrophobicContact CB-CG 4.29Å; P166-W168 HydrophobicContact CB-CZ2 3.77Å; P166-W168 VanDerWaalsContact CB-NE1 3.29Å; P166-W168 HydrophobicContact CG-CZ2 4.19Å; P166-W168 PolarHBondContact O-N 2.82Å; P166-W168 VanDerWaalsContact O-N 3.1Å; P166-A169 HydrophobicContact CB-CB 4.39Å; P166-A169 HydrophobicContact CG-CB 3.95Å; P166-A169 WeakPolarHBondContact O-CB 3.32Å; P166-A169 PolarHBondContact O-N 3.43Å; P166-A176 HydrophobicContact CG-CB 4.44Å; P166-Y208 HydrophobicContact CG-CE2 4.02Å; P166-G209 WeakPolarHBondContact CD-O 3.42Å | ||
| 167 | V | 95.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 21% | 0.212 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.5 | -32.9 | -168.7 | -179 | 0 | 0 | 0 | 0 | 110.7 | E129 E165 A169 I170 | E129-V167 WeakPolarHBondContact O-CB 3.48Å; E129-V167 WeakPolarHBondContact O-CG2 3.45Å; E129-V167 PolarHBondContact O-N 2.95Å; E165-V167 PolarHBondContact O-N 3.33Å; V167-A169 PolarHBondContact O-N 2.97Å; V167-I170 PolarHBondContact O-N 2.81Å |
| 168 | W | 94.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -66.8 | -15.2 | 177 | 56.1 | -96.9 | 0 | 0 | 0 | 114.7 | E129 L131 P166 T172 A176 | E129-W168 PolarHBondContact OE1-NE1 2.67Å; L131-W168 HydrophobicContact CB-CB 3.81Å; L131-W168 HydrophobicContact CB-CG 4.47Å; L131-W168 HydrophobicContact CD1-CB 4.06Å; L131-W168 HydrophobicContact CD1-CG 4.22Å; L131-W168 HydrophobicContact CG-CB 4.46Å; P166-W168 HydrophobicContact CB-CD2 4.04Å; P166-W168 VanDerWaalsContact CB-CE2 3.43Å; P166-W168 HydrophobicContact CB-CG 4.29Å; P166-W168 HydrophobicContact CB-CZ2 3.77Å; P166-W168 VanDerWaalsContact CB-NE1 3.29Å; P166-W168 HydrophobicContact CG-CZ2 4.19Å; P166-W168 PolarHBondContact O-N 2.82Å; P166-W168 VanDerWaalsContact O-N 3.1Å; W168-T172 WeakPolarHBondContact O-CG2 3.14Å; W168-T172 PolarHBondContact O-OG1 3.42Å; W168-A176 HydrophobicContact CH2-CB 3.71Å; W168-A176 HydrophobicContact CZ2-CB 4.34Å; W168-A176 HydrophobicContact CZ3-CB 4.48Å |
| 169 | A | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -97 | -6.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P166 V167 G171 K174 G210 S211 | P166-A169 HydrophobicContact CB-CB 4.39Å; P166-A169 HydrophobicContact CG-CB 3.95Å; P166-A169 WeakPolarHBondContact O-CB 3.32Å; P166-A169 PolarHBondContact O-N 3.43Å; V167-A169 PolarHBondContact O-N 2.97Å; A169-G171 PolarHBondContact O-N 2.74Å; A169-K174 WeakPolarHBondContact CA-O 3.42Å; A169-K174 VanDerWaalsContact CB-O 3.22Å; A169-K174 WeakPolarHBondContact CB-O 3.49Å; A169-G210 CarbonylContact O-C 3.45Å; A169-G210 WeakPolarHBondContact O-CA 3.31Å; A169-S211 PolarHBondContact O-N 3.28Å; A169-S211 VanDerWaalsContact O-N 3.16Å; A169-S211 PolarHBondContact O-OG 3.42Å |
| 170 | I | 84.8 | Confident | 92.5 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -83.6 | 108.3 | -174 | -59.5 | 173.8 | 0 | 0 | 0 | 109.8 | S96 E165 V167 T172 | S96-I170 WeakPolarHBondContact OG-CD1 3.4Å; E165-I170 HydrophobicContact CB-CD1 3.88Å; E165-I170 HydrophobicContact CB-CG1 4.4Å; V167-I170 PolarHBondContact O-N 2.81Å; I170-T172 PolarHBondContact O-N 3.5Å |
| 171 | G | 79.9 | Confident | 92.4 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 78% | 0.784 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 74.8 | 4.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A169 | A169-G171 PolarHBondContact O-N 2.74Š|
| 172 | T | 83.2 | Confident | 92.4 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -91.1 | -10.6 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | W168 I170 K174 | W168-T172 WeakPolarHBondContact O-CG2 3.14Å; W168-T172 PolarHBondContact O-OG1 3.42Å; I170-T172 PolarHBondContact O-N 3.5Å; T172-K174 PolarHBondContact O-N 3.09Å; T172-K174 VanDerWaalsContact O-N 3.16Å; T172-K174 PolarHBondContact OG1-N 2.92Å |
| 173 | G | 81.7 | Confident | 92.3 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 67% | 0.67 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 71.9 | -6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S211 | G173-S211 WeakPolarHBondContact CA-OG 3.3Å; G173-S211 PolarHBondContact N-OG 3.31Å |
| 174 | K | 83.6 | Confident | 92.3 | Very high | 146 Ų | 146 | 43.2 Ų | 43.2 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 118 | 169.4 | -61.7 | -172.5 | 179.2 | -177.2 | 0 | 108 | A169 T172 S211 | A169-K174 WeakPolarHBondContact CA-O 3.42Å; A169-K174 VanDerWaalsContact CB-O 3.22Å; A169-K174 WeakPolarHBondContact CB-O 3.49Å; T172-K174 PolarHBondContact O-N 3.09Å; T172-K174 VanDerWaalsContact O-N 3.16Å; T172-K174 PolarHBondContact OG1-N 2.92Å; K174-S211 PolarHBondContact O-OG 2.86Å |
| 175 | T | 84.3 | Confident | 92.2 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 142.5 | 174.3 | -47 | 0 | 0 | 0 | 0 | 108.4 | Y208 S211 N216 L220 | T175-Y208 HydrophobicContact CG2-CE1 3.88Å; T175-Y208 WeakPolarHBondContact CG2-OH 3.17Å; T175-S211 VanDerWaalsContact OG1-CB 3.3Å; T175-S211 WeakPolarHBondContact OG1-CB 3.32Å; T175-S211 PolarHBondContact OG1-O 3.28Å; T175-N216 PolarHBondContact OG1-ND2 3.42Å; T175-L220 HydrophobicContact CG2-CD1 4.3Å |
| 176 | A | 90.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 140.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P166 W168 Q180 Y208 | P166-A176 HydrophobicContact CG-CB 4.44Å; W168-A176 HydrophobicContact CH2-CB 3.71Å; W168-A176 HydrophobicContact CZ2-CB 4.34Å; W168-A176 HydrophobicContact CZ3-CB 4.48Å; A176-Q180 HydrophobicContact CB-CB 4.24Å; A176-Y208 HydrophobicContact CB-CE2 3.88Å; A176-Y208 WeakPolarHBondContact CB-OH 3.47Å; A176-Y208 PolarHBondContact N-OH 2.64Å |
| 177 | T | 95.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 150.5 | 170.9 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | E179 Q180 A181 | T177-E179 PolarHBondContact O-N 3.47Å; T177-E179 VanDerWaalsContact O-N 3.08Å; T177-Q180 PolarHBondContact O-N 3Å; T177-Q180 WeakPolarHBondContact OG1-CB 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.42Å; T177-Q180 PolarHBondContact OG1-N 3.33Å; T177-Q180 PolarHBondContact OG1-OE1 3.35Å; T177-Q180 VanDerWaalsContact OG1-OE1 3.07Å; T177-A181 PolarHBondContact O-N 3.06Å |
| 178 | P | 96.7 | Very high | 92.5 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.2 | -32.4 | 175.3 | -29.3 | 37.5 | 0 | 0 | 0 | 113.4 | Q182 A219 L220 K223 | P178-Q182 VanDerWaalsContact O-CB 3.23Å; P178-Q182 WeakPolarHBondContact O-CB 3.47Å; P178-Q182 PolarHBondContact O-N 3.37Å; P178-A219 HydrophobicContact CG-CB 4.17Å; P178-L220 HydrophobicContact CB-CD2 4.32Å; P178-L220 HydrophobicContact CG-CD2 4.23Å; P178-L220 HydrophobicContact CG-CG 4.44Å; P178-K223 VanDerWaalsContact C-CE 3.43Å; P178-K223 HydrophobicContact CB-CD 4.22Å; P178-K223 HydrophobicContact CB-CG 4.03Å; P178-K223 WeakPolarHBondContact O-CE 3.47Å |
| 179 | E | 97.5 | Very high | 92.6 | Very high | 111 Ų | 111 | 45 Ų | 45 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 176.3 | -67.5 | 62 | -133.8 | 0 | 0 | 111.8 | T177 A181 Q182 E183 K223 | T177-E179 PolarHBondContact O-N 3.47Å; T177-E179 VanDerWaalsContact O-N 3.08Å; E179-A181 VanDerWaalsContact C-N 3.34Å; E179-A181 PolarHBondContact O-N 2.96Å; E179-Q182 PolarHBondContact O-N 3.32Å; E179-E183 WeakPolarHBondContact O-CB 3.33Å; E179-E183 PolarHBondContact O-N 3.28Å; E179-K223 WeakPolarHBondContact OE1-CE 3.41Å; E179-K223 IonicContact OE1-NZ 3.76Å; E179-K223 PolarHBondContact OE1-NZ 2.98Å |
| 180 | Q | 95.5 | Very high | 92.9 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.5 | -72 | 169.9 | -40.9 | 0 | 0 | 112.1 | A176 T177 A184 | A176-Q180 HydrophobicContact CB-CB 4.24Å; T177-Q180 PolarHBondContact O-N 3Å; T177-Q180 WeakPolarHBondContact OG1-CB 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.42Å; T177-Q180 PolarHBondContact OG1-N 3.33Å; T177-Q180 PolarHBondContact OG1-OE1 3.35Å; T177-Q180 VanDerWaalsContact OG1-OE1 3.07Å; Q180-A184 PolarHBondContact O-N 3.32Å |
| 181 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T177 E179 E183 A184 H185 Y208 L220 I226 | T177-A181 PolarHBondContact O-N 3.06Å; E179-A181 VanDerWaalsContact C-N 3.34Å; E179-A181 PolarHBondContact O-N 2.96Å; A181-E183 PolarHBondContact O-N 3.43Å; A181-A184 PolarHBondContact O-N 2.79Å; A181-H185 WeakPolarHBondContact O-CB 3.33Å; A181-H185 PolarHBondContact O-CD2 2.91Å; A181-H185 PolarHBondContact O-N 2.94Å; A181-Y208 HydrophobicContact CB-CD2 3.82Å; A181-Y208 HydrophobicContact CB-CE2 4.08Å; A181-Y208 HydrophobicContact CB-CG 4.35Å; A181-L220 HydrophobicContact CB-CD2 4.04Å; A181-I226 HydrophobicContact CB-CD1 3.66Å |
| 182 | Q | 98.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 44 Ų | 44 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 176 | 174.8 | 59.1 | 26.7 | 0 | 0 | 112.1 | P178 E179 A184 H185 V186 K223 D225 | P178-Q182 VanDerWaalsContact O-CB 3.23Å; P178-Q182 WeakPolarHBondContact O-CB 3.47Å; P178-Q182 PolarHBondContact O-N 3.37Å; E179-Q182 PolarHBondContact O-N 3.32Å; Q182-A184 PolarHBondContact O-N 2.92Å; Q182-H185 PolarHBondContact O-N 3.38Å; Q182-V186 HydrophobicContact CG-CG2 4.49Å; Q182-V186 VanDerWaalsContact O-CG2 3.32Å; Q182-V186 WeakPolarHBondContact O-CG2 3.43Å; Q182-V186 PolarHBondContact O-N 3.49Å; Q182-K223 HydrophobicContact CB-CB 4.1Å; Q182-K223 HydrophobicContact CB-CD 4Å; Q182-K223 HydrophobicContact CB-CG 4.07Å; Q182-K223 HydrophobicContact CG-CB 4.47Å; Q182-K223 HydrophobicContact CG-CD 4.36Å; Q182-D225 PolarHBondContact NE2-OD2 2.73Å |
| 183 | E | 97.4 | Very high | 95.1 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.6 | -51.3 | 177.8 | 178.3 | -177.7 | -141.9 | 0 | 0 | 111.8 | R134 E179 A181 H185 V186 W187 | R134-E183 IonicContact NH2-OE2 2.7Å; E179-E183 WeakPolarHBondContact O-CB 3.33Å; E179-E183 PolarHBondContact O-N 3.28Å; A181-E183 PolarHBondContact O-N 3.43Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.05Å; E183-V186 PolarHBondContact O-N 2.83Å; E183-W187 VanDerWaalsContact CD-CZ2 3.44Å; E183-W187 HydrophobicContact CG-CD2 4.26Å; E183-W187 HydrophobicContact CG-CH2 3.74Å; E183-W187 HydrophobicContact CG-CZ2 3.42Å; E183-W187 VanDerWaalsContact CG-CZ2 3.42Å; E183-W187 HydrophobicContact CG-CZ3 4.28Å; E183-W187 PolarHBondContact O-N 2.88Å; E183-W187 VanDerWaalsContact O-N 3.09Å; E183-W187 WeakPolarHBondContact OE1-CH2 3.4Å; E183-W187 WeakPolarHBondContact OE1-CZ2 3.39Å |
| 184 | A | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y164 Q180 A181 Q182 W187 I188 | Y164-A184 HydrophobicContact CD1-CB 3.72Å; Y164-A184 HydrophobicContact CD2-CB 4.39Å; Y164-A184 HydrophobicContact CE1-CB 3.25Å; Y164-A184 HydrophobicContact CE2-CB 4.01Å; Y164-A184 HydrophobicContact CG-CB 4.27Å; Y164-A184 VanDerWaalsContact CZ-CB 3.42Å; Q180-A184 PolarHBondContact O-N 3.32Å; A181-A184 PolarHBondContact O-N 2.79Å; Q182-A184 PolarHBondContact O-N 2.92Å; A184-W187 PolarHBondContact O-N 3.18Å; A184-I188 WeakPolarHBondContact O-CG1 3.24Å; A184-I188 PolarHBondContact O-N 3.32Å |
| 185 | H | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.1 | -80.6 | -129.2 | 0 | 0 | 0 | 112.5 | Y164 A181 Q182 E183 W187 I188 R189 I206 M207 D225 | Y164-H185 AromaticContact CD1-CD2 3.67Å; Y164-H185 AromaticContact CD1-NE2 3.79Å; A181-H185 WeakPolarHBondContact O-CB 3.33Å; A181-H185 PolarHBondContact O-CD2 2.91Å; A181-H185 PolarHBondContact O-N 2.94Å; Q182-H185 PolarHBondContact O-N 3.38Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.05Å; H185-W187 VanDerWaalsContact C-N 3.34Å; H185-I188 PolarHBondContact O-N 2.91Å; H185-R189 WeakPolarHBondContact O-CB 3.43Å; H185-R189 PolarHBondContact O-N 3.03Å; H185-I206 HydrophobicContact CB-CG2 4.45Å; H185-I206 PolarHBondContact CE1-O 3.44Å; H185-I206 WeakPolarHBondContact ND1-CG2 3.37Å; H185-I206 PolarHBondContact ND1-O 3.03Å; H185-M207 VanDerWaalsContact CE1-C 3.42Å; H185-D225 HydrophobicContact CB-CB 3.73Å; H185-D225 PolarHBondContact ND1-O 3.43Å |
| 186 | V | 97.8 | Very high | 97 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -47 | 172.9 | 170.8 | 0 | 0 | 0 | 0 | 110 | Q182 E183 I188 R189 D190 D225 | Q182-V186 HydrophobicContact CG-CG2 4.49Å; Q182-V186 VanDerWaalsContact O-CG2 3.32Å; Q182-V186 WeakPolarHBondContact O-CG2 3.43Å; Q182-V186 PolarHBondContact O-N 3.49Å; E183-V186 PolarHBondContact O-N 2.83Å; V186-I188 PolarHBondContact O-N 3.28Å; V186-R189 PolarHBondContact O-N 3.01Å; V186-D190 WeakPolarHBondContact O-CB 3.28Å; V186-D190 PolarHBondContact O-N 2.81Å; V186-D225 HydrophobicContact CG2-CB 4.39Å; V186-D225 WeakPolarHBondContact CG2-OD2 3.27Å |
| 187 | W | 97.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 46 Ų | 46 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 177.9 | -65.2 | -15.9 | 0 | 0 | 0 | 112.9 | T139 K140 E183 A184 H185 R189 D190 W191 | T139-W187 HydrophobicContact CG2-CE3 4.4Å; T139-W187 HydrophobicContact CG2-CZ3 3.97Å; K140-W187 HydrophobicContact CB-CD2 4.39Å; K140-W187 HydrophobicContact CB-CE3 3.95Å; K140-W187 HydrophobicContact CB-CZ3 4.25Å; K140-W187 HydrophobicContact CD-CD2 4.36Å; K140-W187 HydrophobicContact CD-CG 4.39Å; K140-W187 HydrophobicContact CG-CD2 4.48Å; K140-W187 HydrophobicContact CG-CE3 4.46Å; E183-W187 VanDerWaalsContact CD-CZ2 3.44Å; E183-W187 HydrophobicContact CG-CD2 4.26Å; E183-W187 HydrophobicContact CG-CH2 3.74Å; E183-W187 HydrophobicContact CG-CZ2 3.42Å; E183-W187 VanDerWaalsContact CG-CZ2 3.42Å; E183-W187 HydrophobicContact CG-CZ3 4.28Å; E183-W187 PolarHBondContact O-N 2.88Å; E183-W187 VanDerWaalsContact O-N 3.09Å; E183-W187 WeakPolarHBondContact OE1-CH2 3.4Å; E183-W187 WeakPolarHBondContact OE1-CZ2 3.39Å; A184-W187 PolarHBondContact O-N 3.18Å; H185-W187 VanDerWaalsContact C-N 3.34Å; W187-R189 VanDerWaalsContact C-N 3.35Å; W187-D190 PolarHBondContact O-N 2.61Å; W187-W191 VanDerWaalsContact O-CB 3.3Å; W187-W191 WeakPolarHBondContact O-CB 3.45Å; W187-W191 PolarHBondContact O-N 3.31Å |
| 188 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.6 | -70 | 163 | 0 | 0 | 0 | 110.1 | V127 I143 I162 Y164 A184 H185 V186 D190 W191 V192 I206 | V127-I188 HydrophobicContact CG2-CD1 4.24Å; I143-I188 HydrophobicContact CD1-CD1 4.44Å; I143-I188 HydrophobicContact CD1-CG1 4.49Å; I143-I188 HydrophobicContact CG2-CD1 4.18Å; I143-I188 HydrophobicContact CG2-CG1 3.52Å; I162-I188 HydrophobicContact CD1-CG2 3.67Å; I162-I188 HydrophobicContact CG2-CG2 4.11Å; Y164-I188 HydrophobicContact CD2-CD1 4.13Å; Y164-I188 HydrophobicContact CG-CD1 3.99Å; A184-I188 WeakPolarHBondContact O-CG1 3.24Å; A184-I188 PolarHBondContact O-N 3.32Å; H185-I188 PolarHBondContact O-N 2.91Å; V186-I188 PolarHBondContact O-N 3.28Å; I188-D190 PolarHBondContact O-N 2.67Å; I188-W191 WeakPolarHBondContact O-CB 3.35Å; I188-W191 PolarHBondContact O-N 3.23Å; I188-V192 WeakPolarHBondContact O-CG2 3.5Å; I188-V192 PolarHBondContact O-N 3.16Å; I188-I206 HydrophobicContact CB-CD1 4.03Å; I188-I206 HydrophobicContact CD1-CG2 4.13Å; I188-I206 HydrophobicContact CG2-CD1 3.67Å; I188-I206 HydrophobicContact CG2-CG1 4.18Å; I188-I206 HydrophobicContact CG2-CG2 4.23Å |
| 189 | R | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | -178.6 | -165.9 | 174.7 | -59.7 | -75.2 | -3.5 | 111.6 | H185 V186 W187 W191 V192 K193 G201 V204 I206 D225 D227 | H185-R189 WeakPolarHBondContact O-CB 3.43Å; H185-R189 PolarHBondContact O-N 3.03Å; V186-R189 PolarHBondContact O-N 3.01Å; W187-R189 VanDerWaalsContact C-N 3.35Å; R189-W191 VanDerWaalsContact C-N 3.33Å; R189-V192 PolarHBondContact O-N 2.84Å; R189-K193 WeakPolarHBondContact O-CG 3.49Å; R189-K193 PolarHBondContact O-N 3.26Å; R189-G201 VanDerWaalsContact CD-O 3.25Å; R189-G201 WeakPolarHBondContact CD-O 3.3Å; R189-G201 WeakPolarHBondContact CG-O 3.5Å; R189-G201 PolarHBondContact NH1-O 2.98Å; R189-V204 PolarHBondContact NH1-O 3.04Å; R189-I206 HydrophobicContact CB-CD1 3.76Å; R189-I206 HydrophobicContact CG-CD1 4.41Å; R189-D225 WeakPolarHBondContact CD-OD1 3.36Å; R189-D225 IonicContact CZ-OD1 3.83Å; R189-D225 IonicContact NE-OD1 2.61Å; R189-D225 PolarHBondContact NE-OD1 3.41Å; R189-D225 PolarHBondContact NH2-O 3.46Å; R189-D225 IonicContact NH2-OD1 2.67Å; R189-D227 IonicContact CZ-OD2 2.74Å; R189-D227 IonicContact NH1-OD2 3.42Å; R189-D227 IonicContact NH2-OD1 3.91Å; R189-D227 IonicContact NH2-OD2 3.31Å; R189-D227 PolarHBondContact NH2-OD2 3.05Å |
| 190 | D | 97.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 32% | 0.316 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 178 | -73 | -16.4 | 0 | 0 | 0 | 111.7 | V186 W187 I188 V192 K193 Q194 | V186-D190 WeakPolarHBondContact O-CB 3.28Å; V186-D190 PolarHBondContact O-N 2.81Å; W187-D190 PolarHBondContact O-N 2.61Å; I188-D190 PolarHBondContact O-N 2.67Å; D190-V192 VanDerWaalsContact C-N 3.32Å; D190-V192 PolarHBondContact O-N 3.42Å; D190-K193 PolarHBondContact O-N 2.88Å; D190-K193 IonicContact OD1-NZ 2.71Å; D190-K193 PolarHBondContact OD1-NZ 2.74Å; D190-Q194 WeakPolarHBondContact O-CB 3.38Å; D190-Q194 VanDerWaalsContact O-CG 3.25Å; D190-Q194 WeakPolarHBondContact O-CG 3.38Å; D190-Q194 PolarHBondContact O-N 3.15Å |
| 191 | W | 98.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 45 Ų | 45 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 172 | -173 | 99.4 | 0 | 0 | 0 | 111.2 | M147 A148 L151 W157 W187 I188 R189 Q194 N195 V196 | M147-W191 VanDerWaalsContact C-CH2 3.49Å; M147-W191 HydrophobicContact CB-CD2 3.96Å; M147-W191 HydrophobicContact CB-CE3 3.8Å; M147-W191 HydrophobicContact CB-CH2 3.7Å; M147-W191 HydrophobicContact CB-CZ2 3.84Å; M147-W191 HydrophobicContact CB-CZ3 3.69Å; M147-W191 HydrophobicContact CE-CE3 4.08Å; M147-W191 HydrophobicContact CE-CZ3 4.05Å; M147-W191 HydrophobicContact CG-CE3 4.41Å; M147-W191 WeakPolarHBondContact O-CH2 3.43Å; A148-W191 HydrophobicContact CB-CZ2 3.93Å; L151-W191 HydrophobicContact CD1-CH2 3.71Å; L151-W191 HydrophobicContact CD1-CZ2 3.97Å; L151-W191 HydrophobicContact CD2-CH2 4.01Å; L151-W191 HydrophobicContact CG-CH2 3.86Å; W157-W191 HydrophobicContact CH2-CZ3 4.5Å; W187-W191 VanDerWaalsContact O-CB 3.3Å; W187-W191 WeakPolarHBondContact O-CB 3.45Å; W187-W191 PolarHBondContact O-N 3.31Å; I188-W191 WeakPolarHBondContact O-CB 3.35Å; I188-W191 PolarHBondContact O-N 3.23Å; R189-W191 VanDerWaalsContact C-N 3.33Å; W191-Q194 PolarHBondContact O-N 3.27Å; W191-N195 HydrophobicContact CD2-CB 4.2Å; W191-N195 HydrophobicContact CE3-CB 4.26Å; W191-N195 HydrophobicContact CH2-CB 3.94Å; W191-N195 HydrophobicContact CZ2-CB 3.87Å; W191-N195 HydrophobicContact CZ3-CB 4.13Å; W191-N195 PolarHBondContact NE1-ND2 2.94Å; W191-N195 WeakPolarHBondContact O-CB 3.22Å; W191-N195 PolarHBondContact O-N 3.07Å; W191-N195 PolarHBondContact O-ND2 3.35Å; W191-V196 HydrophobicContact CZ3-CG2 4.18Å |
| 192 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | M147 W157 I162 I188 R189 D190 Q194 V196 C197 T200 V204 | M147-V192 HydrophobicContact CE-CG2 3.95Å; W157-V192 HydrophobicContact CZ3-CG2 4.41Å; I162-V192 HydrophobicContact CD1-CG2 4.03Å; I188-V192 WeakPolarHBondContact O-CG2 3.5Å; I188-V192 PolarHBondContact O-N 3.16Å; R189-V192 PolarHBondContact O-N 2.84Å; D190-V192 VanDerWaalsContact C-N 3.32Å; D190-V192 PolarHBondContact O-N 3.42Å; V192-Q194 VanDerWaalsContact C-N 3.27Å; V192-Q194 PolarHBondContact O-N 3.08Å; V192-V196 HydrophobicContact CG1-CB 4.14Å; V192-V196 HydrophobicContact CG1-CG2 4.16Å; V192-V196 WeakPolarHBondContact O-CA 3.42Å; V192-V196 VanDerWaalsContact O-CB 3.29Å; V192-V196 WeakPolarHBondContact O-CB 3.37Å; V192-V196 PolarHBondContact O-N 3.17Å; V192-C197 PolarHBondContact O-N 3.13Å; V192-T200 HydrophobicContact CG1-CG2 3.57Å; V192-V204 HydrophobicContact CG1-CG1 4.19Å; V192-V204 HydrophobicContact CG2-CG1 4.46Å |
| 193 | K | 97.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 49 Ų | 49 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 176.6 | -70.5 | 175.3 | -174.1 | 157.8 | 0 | 112 | R189 D190 C197 H198 | R189-K193 WeakPolarHBondContact O-CG 3.49Å; R189-K193 PolarHBondContact O-N 3.26Å; D190-K193 PolarHBondContact O-N 2.88Å; D190-K193 IonicContact OD1-NZ 2.71Å; D190-K193 PolarHBondContact OD1-NZ 2.74Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 VanDerWaalsContact O-C 3.26Å; K193-H198 PolarHBondContact O-N 3.05Å |
| 194 | Q | 97.3 | Very high | 96.4 | Very high | 150 Ų | 150 | 45.1 Ų | 45.1 | 70% | 0.701 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -79.3 | -42.4 | -175.6 | -70.6 | 170.3 | 15.4 | 0 | 0 | 113 | D190 W191 V192 | D190-Q194 WeakPolarHBondContact O-CB 3.38Å; D190-Q194 VanDerWaalsContact O-CG 3.25Å; D190-Q194 WeakPolarHBondContact O-CG 3.38Å; D190-Q194 PolarHBondContact O-N 3.15Å; W191-Q194 PolarHBondContact O-N 3.27Å; V192-Q194 VanDerWaalsContact C-N 3.27Å; V192-Q194 PolarHBondContact O-N 3.08Å |
| 195 | N | 97.2 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102.6 | -15.5 | -169 | -62.5 | -84.8 | 0 | 0 | 0 | 114 | L151 W191 | L151-N195 HydrophobicContact CD1-CB 4.21Å; W191-N195 HydrophobicContact CD2-CB 4.2Å; W191-N195 HydrophobicContact CE3-CB 4.26Å; W191-N195 HydrophobicContact CH2-CB 3.94Å; W191-N195 HydrophobicContact CZ2-CB 3.87Å; W191-N195 HydrophobicContact CZ3-CB 4.13Å; W191-N195 PolarHBondContact NE1-ND2 2.94Å; W191-N195 WeakPolarHBondContact O-CB 3.22Å; W191-N195 PolarHBondContact O-N 3.07Å; W191-N195 PolarHBondContact O-ND2 3.35Å |
| 196 | V | 95.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -75.8 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | L151 W157 W191 V192 T200 | L151-V196 HydrophobicContact CD2-CG2 4.11Å; W157-V196 VanDerWaalsContact CD1-CG1 3.48Å; W157-V196 HydrophobicContact CD2-CG1 4.39Å; W157-V196 HydrophobicContact CD2-CG2 4.41Å; W157-V196 HydrophobicContact CG-CG1 4.16Å; W157-V196 HydrophobicContact CH2-CG2 4.24Å; W157-V196 HydrophobicContact CZ2-CG2 3.45Å; W157-V196 VanDerWaalsContact CZ2-CG2 3.45Å; W157-V196 VanDerWaalsContact NE1-CG1 3.28Å; W191-V196 HydrophobicContact CZ3-CG2 4.18Å; V192-V196 HydrophobicContact CG1-CB 4.14Å; V192-V196 HydrophobicContact CG1-CG2 4.16Å; V192-V196 WeakPolarHBondContact O-CA 3.42Å; V192-V196 VanDerWaalsContact O-CB 3.29Å; V192-V196 WeakPolarHBondContact O-CB 3.37Å; V192-V196 PolarHBondContact O-N 3.17Å; V196-T200 HydrophobicContact CG1-CG2 4.02Å |
| 197 | C | 92.5 | Very high | 96.4 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | trans | -173.6 | 159.2 | 164.6 | 71.7 | 0 | 0 | 0 | 0 | 109.5 | V192 K193 N199 T200 G201 | V192-C197 PolarHBondContact O-N 3.13Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 VanDerWaalsContact O-C 3.26Å; C197-N199 VanDerWaalsContact C-N 3.27Å; C197-N199 PolarHBondContact O-N 3.46Å; C197-T200 PolarHBondContact O-N 3.31Å; C197-T200 PolarHBondContact SG-N 3.3Å; C197-T200 VanDerWaalsContact SG-N 3.4Å; C197-T200 PolarHBondContact SG-OG1 2.89Å; C197-G201 PolarHBondContact O-N 3.42Å | ||
| 198 | H | 90.8 | Very high | 96.5 | Very high | 123 Ų | 123 | 41.2 Ų | 41.2 | 57% | 0.569 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -55.3 | -41.3 | -179.8 | -171.9 | 86.5 | 0 | 0 | 0 | 112.9 | K193 T200 G201 N202 | K193-H198 PolarHBondContact O-N 3.05Å; H198-T200 PolarHBondContact O-N 3.42Å; H198-G201 PolarHBondContact O-N 3.45Å; H198-N202 PolarHBondContact CD2-ND2 3.31Å; H198-N202 PolarHBondContact NE2-ND2 3.47Å; H198-N202 PolarHBondContact O-N 3.28Å; H198-N202 PolarHBondContact O-ND2 2.91Å |
| 199 | N | 93.9 | Very high | 96.4 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 58% | 0.583 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.6 | -41.6 | -179 | -170.1 | 47.7 | 0 | 0 | 0 | 112.3 | C197 G201 N202 F203 | C197-N199 VanDerWaalsContact C-N 3.27Å; C197-N199 PolarHBondContact O-N 3.46Å; N199-G201 VanDerWaalsContact C-N 3.33Å; N199-G201 PolarHBondContact O-N 2.89Å; N199-N202 WeakPolarHBondContact O-CB 3.4Å; N199-N202 PolarHBondContact O-N 2.91Å; N199-N202 VanDerWaalsContact O-N 3.11Å; N199-F203 VanDerWaalsContact O-CD1 3.23Å; N199-F203 WeakPolarHBondContact O-CD1 3.13Å; N199-F203 PolarHBondContact O-N 3.37Å |
| 200 | T | 95.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 112 | W157 V192 V196 C197 H198 N202 F203 V204 | W157-T200 HydrophobicContact CB-CG2 3.35Å; W157-T200 HydrophobicContact CD2-CG2 3.96Å; W157-T200 HydrophobicContact CE3-CG2 4.35Å; W157-T200 HydrophobicContact CG-CG2 3.53Å; V192-T200 HydrophobicContact CG1-CG2 3.57Å; V196-T200 HydrophobicContact CG1-CG2 4.02Å; C197-T200 PolarHBondContact O-N 3.31Å; C197-T200 PolarHBondContact SG-N 3.3Å; C197-T200 VanDerWaalsContact SG-N 3.4Å; C197-T200 PolarHBondContact SG-OG1 2.89Å; H198-T200 PolarHBondContact O-N 3.42Å; T200-N202 PolarHBondContact O-N 3.13Å; T200-F203 VanDerWaalsContact CA-CE1 3.43Å; T200-F203 HydrophobicContact CG2-CE1 4.35Å; T200-F203 HydrophobicContact CG2-CE2 4.38Å; T200-F203 HydrophobicContact CG2-CZ 3.9Å; T200-F203 PolarHBondContact O-N 3.01Å; T200-V204 WeakPolarHBondContact O-CB 3.45Å; T200-V204 WeakPolarHBondContact O-CG1 3.46Å; T200-V204 PolarHBondContact O-N 3.37Å |
| 201 | G | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -25.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R189 C197 H198 N199 | R189-G201 VanDerWaalsContact CD-O 3.25Å; R189-G201 WeakPolarHBondContact CD-O 3.3Å; R189-G201 WeakPolarHBondContact CG-O 3.5Å; R189-G201 PolarHBondContact NH1-O 2.98Å; C197-G201 PolarHBondContact O-N 3.42Å; H198-G201 PolarHBondContact O-N 3.45Å; N199-G201 VanDerWaalsContact C-N 3.33Å; N199-G201 PolarHBondContact O-N 2.89Å |
| 202 | N | 93.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.1 | -35 | 179.3 | -68.9 | -24.4 | 0 | 0 | 0 | 113.1 | R4 H198 N199 T200 | R4-N202 WeakPolarHBondContact CD-O 3.39Å; R4-N202 PolarHBondContact NH1-O 3.43Å; H198-N202 PolarHBondContact CD2-ND2 3.31Å; H198-N202 PolarHBondContact NE2-ND2 3.47Å; H198-N202 PolarHBondContact O-N 3.28Å; H198-N202 PolarHBondContact O-ND2 2.91Å; N199-N202 WeakPolarHBondContact O-CB 3.4Å; N199-N202 PolarHBondContact O-N 2.91Å; N199-N202 VanDerWaalsContact O-N 3.11Å; T200-N202 PolarHBondContact O-N 3.13Å |
| 203 | F | 95.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 41.1 Ų | 41.1 | 25% | 0.25 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.5 | -25.5 | -176.6 | 75.5 | -110.8 | 0 | 0 | 0 | 114.5 | W157 T158 N199 T200 R205 | W157-F203 HydrophobicContact CB-CE2 4.4Å; W157-F203 HydrophobicContact CB-CZ 4.2Å; T158-F203 HydrophobicContact CG2-CE1 4.32Å; T158-F203 HydrophobicContact CG2-CE2 3.79Å; T158-F203 HydrophobicContact CG2-CZ 3.62Å; N199-F203 VanDerWaalsContact O-CD1 3.23Å; N199-F203 WeakPolarHBondContact O-CD1 3.13Å; N199-F203 PolarHBondContact O-N 3.37Å; T200-F203 VanDerWaalsContact CA-CE1 3.43Å; T200-F203 HydrophobicContact CG2-CE1 4.35Å; T200-F203 HydrophobicContact CG2-CE2 4.38Å; T200-F203 HydrophobicContact CG2-CZ 3.9Å; T200-F203 PolarHBondContact O-N 3.01Å; F203-R205 PolarHBondContact O-N 3.44Å |
| 204 | V | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -59.3 | 132.7 | -177 | 70.8 | 0 | 0 | 0 | 0 | 109.7 | R4 W157 I162 R189 V192 T200 I206 | R4-V204 VanDerWaalsContact CD-O 3.24Å; R4-V204 WeakPolarHBondContact CD-O 3.28Å; W157-V204 HydrophobicContact CE3-CG2 4.35Å; I162-V204 HydrophobicContact CD1-CG2 3.94Å; I162-V204 HydrophobicContact CG1-CG2 4.28Å; R189-V204 PolarHBondContact NH1-O 3.04Å; V192-V204 HydrophobicContact CG1-CG1 4.19Å; V192-V204 HydrophobicContact CG2-CG1 4.46Å; T200-V204 WeakPolarHBondContact O-CB 3.45Å; T200-V204 WeakPolarHBondContact O-CG1 3.46Å; T200-V204 PolarHBondContact O-N 3.37Å; V204-I206 HydrophobicContact CG1-CG1 4.49Å | ||
| 205 | R | 98.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.1 | 176.5 | -69.3 | 170.1 | -68.7 | -178.2 | -5.7 | 109.5 | R4 K5 I7 D38 V161 I162 F203 D227 | R4-R205 HydrophobicContact CB-CG 4.25Å; K5-R205 WeakPolarHBondContact O-CD 3.49Å; I7-R205 HydrophobicContact CG2-CB 4.33Å; D38-R205 IonicContact OD2-CZ 2.82Å; D38-R205 IonicContact OD2-NH1 2.67Å; D38-R205 PolarHBondContact OD2-NH1 3.13Å; V161-R205 HydrophobicContact CG1-CB 4.02Å; V161-R205 HydrophobicContact CG2-CB 4.18Å; I162-R205 PolarHBondContact N-O 2.9Å; F203-R205 PolarHBondContact O-N 3.44Å; R205-D227 WeakPolarHBondContact CA-OD2 3.45Å; R205-D227 HydrophobicContact CB-CB 3.93Å; R205-D227 HydrophobicContact CG-CB 4.11Å |
| 206 | I | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.4 | 175.8 | -46.8 | 171.5 | 0 | 0 | 0 | 108.1 | I162 H185 I188 R189 V204 D227 | I162-I206 HydrophobicContact CB-CG2 4.41Å; I162-I206 HydrophobicContact CD1-CG1 4.49Å; I162-I206 HydrophobicContact CG2-CG2 4.45Å; I162-I206 CarbonylContact O-C 3.59Å; I162-I206 WeakPolarHBondContact O-CA 3.36Å; H185-I206 HydrophobicContact CB-CG2 4.45Å; H185-I206 PolarHBondContact CE1-O 3.44Å; H185-I206 WeakPolarHBondContact ND1-CG2 3.37Å; H185-I206 PolarHBondContact ND1-O 3.03Å; I188-I206 HydrophobicContact CB-CD1 4.03Å; I188-I206 HydrophobicContact CD1-CG2 4.13Å; I188-I206 HydrophobicContact CG2-CD1 3.67Å; I188-I206 HydrophobicContact CG2-CG1 4.18Å; I188-I206 HydrophobicContact CG2-CG2 4.23Å; R189-I206 HydrophobicContact CB-CD1 3.76Å; R189-I206 HydrophobicContact CG-CD1 4.41Å; V204-I206 HydrophobicContact CG1-CG1 4.49Å; I206-D227 PolarHBondContact N-OD2 3.24Å; I206-D227 PolarHBondContact O-N 3.29Å |
| 207 | M | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.3 | 178.6 | -53.2 | 173.9 | 80 | 0 | 0 | 109.9 | I7 I124 V161 I162 A163 Y164 H185 G228 F229 L230 | I7-M207 HydrophobicContact CB-CE 4.42Å; I7-M207 HydrophobicContact CD1-SD 4.42Å; I7-M207 HydrophobicContact CG1-CE 4.11Å; I7-M207 HydrophobicContact CG1-SD 4.49Å; I7-M207 HydrophobicContact CG2-CE 3.89Å; I7-M207 HydrophobicContact CG2-CG 3.65Å; I7-M207 HydrophobicContact CG2-SD 3.8Å; I7-M207 WeakPolarHBondContact O-CE 3.48Å; I124-M207 HydrophobicContact CG2-SD 4.43Å; V161-M207 HydrophobicContact CG1-CG 3.46Å; V161-M207 VanDerWaalsContact CG1-CG 3.46Å; V161-M207 HydrophobicContact CG1-SD 3.37Å; V161-M207 WeakPolarHBondContact CG1-SD 3.43Å; I162-M207 PolarHBondContact O-N 2.95Å; A163-M207 CarbonylContact C-O 3.41Å; A163-M207 WeakPolarHBondContact CA-O 3.38Å; A163-M207 HydrophobicContact CB-CB 4.42Å; Y164-M207 PolarHBondContact N-O 3.39Å; H185-M207 VanDerWaalsContact CE1-C 3.42Å; M207-G228 WeakPolarHBondContact CA-O 3.15Å; M207-F229 WeakPolarHBondContact CE-O 3.48Å; M207-L230 HydrophobicContact CE-CB 4.48Å |
| 208 | Y | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.7 | 166.9 | 174.4 | -106 | 0 | 0 | 0 | 110 | Y164 P166 T175 A176 A181 G210 V212 L220 G228 F229 L230 | Y164-Y208 HydrophobicContact CD1-CD2 4.16Å; P166-Y208 HydrophobicContact CG-CE2 4.02Å; T175-Y208 HydrophobicContact CG2-CE1 3.88Å; T175-Y208 WeakPolarHBondContact CG2-OH 3.17Å; A176-Y208 HydrophobicContact CB-CE2 3.88Å; A176-Y208 WeakPolarHBondContact CB-OH 3.47Å; A176-Y208 PolarHBondContact N-OH 2.64Å; A181-Y208 HydrophobicContact CB-CD2 3.82Å; A181-Y208 HydrophobicContact CB-CE2 4.08Å; A181-Y208 HydrophobicContact CB-CG 4.35Å; Y208-G210 VanDerWaalsContact CE1-O 3.32Å; Y208-G210 WeakPolarHBondContact CE1-O 3.39Å; Y208-G210 PolarHBondContact OH-O 3.39Å; Y208-V212 HydrophobicContact CD1-CG2 3.54Å; Y208-V212 HydrophobicContact CE1-CG2 3.69Å; Y208-L220 HydrophobicContact CD1-CD1 3.85Å; Y208-L220 HydrophobicContact CD1-CD2 4.09Å; Y208-L220 HydrophobicContact CE1-CD1 3.87Å; Y208-L220 HydrophobicContact CE1-CD2 4.21Å; Y208-G228 PolarHBondContact N-O 3.22Å; Y208-F229 HydrophobicContact CD1-CD1 4.35Å; Y208-F229 CarbonylContact O-C 3.45Å; Y208-F229 WeakPolarHBondContact O-CA 3.25Å; Y208-L230 PolarHBondContact O-N 2.8Å |
| 209 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y164 E165 P166 L230 | Y164-G209 PolarHBondContact O-N 3.06Å; E165-G209 WeakPolarHBondContact CA-O 3.45Å; P166-G209 WeakPolarHBondContact CD-O 3.42Å; G209-L230 WeakPolarHBondContact CA-O 3.44Å |
| 210 | G | 92.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 124.8 | 100.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A169 Y208 V212 | A169-G210 CarbonylContact O-C 3.45Å; A169-G210 WeakPolarHBondContact O-CA 3.31Å; Y208-G210 VanDerWaalsContact CE1-O 3.32Å; Y208-G210 WeakPolarHBondContact CE1-O 3.39Å; Y208-G210 PolarHBondContact OH-O 3.39Å; G210-V212 PolarHBondContact O-N 3.21Å; G210-V212 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 93.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 49.9 | 39 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | A169 G173 K174 T175 N216 | A169-S211 PolarHBondContact O-N 3.28Å; A169-S211 VanDerWaalsContact O-N 3.16Å; A169-S211 PolarHBondContact O-OG 3.42Å; G173-S211 WeakPolarHBondContact CA-OG 3.3Å; G173-S211 PolarHBondContact N-OG 3.31Å; K174-S211 PolarHBondContact O-OG 2.86Å; T175-S211 VanDerWaalsContact OG1-CB 3.3Å; T175-S211 WeakPolarHBondContact OG1-CB 3.32Å; T175-S211 PolarHBondContact OG1-O 3.28Å; S211-N216 PolarHBondContact O-ND2 2.95Å |
| 212 | V | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -73 | 131.2 | 170 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | Y208 G210 C217 L220 F229 V231 I243 | Y208-V212 HydrophobicContact CD1-CG2 3.54Å; Y208-V212 HydrophobicContact CE1-CG2 3.69Å; G210-V212 PolarHBondContact O-N 3.21Å; G210-V212 VanDerWaalsContact O-N 3.11Å; V212-C217 HydrophobicContact CG1-CB 4.13Å; V212-L220 HydrophobicContact CG2-CD1 4.46Å; V212-F229 HydrophobicContact CG1-CB 4.18Å; V212-F229 HydrophobicContact CG1-CD1 3.96Å; V212-F229 HydrophobicContact CG1-CD2 4.22Å; V212-F229 HydrophobicContact CG1-CE1 4.45Å; V212-F229 HydrophobicContact CG1-CG 3.85Å; V212-F229 HydrophobicContact CG2-CB 4.41Å; V212-F229 HydrophobicContact CG2-CD1 3.88Å; V212-F229 HydrophobicContact CG2-CG 4.35Å; V212-V231 HydrophobicContact CB-CG2 4.43Å; V212-V231 HydrophobicContact CG1-CG2 4.39Å; V212-I243 HydrophobicContact CG1-CD1 4.32Å; V212-I243 HydrophobicContact CG1-CG2 3.99Å | ||
| 213 | T | 96.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.282 | 19% | 0.188 | S | C | . | . | trans | -134.4 | 170.3 | 179.1 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | D215 N216 C217 | T213-D215 PolarHBondContact O-N 3.47Å; T213-D215 PolarHBondContact OG1-N 3.48Å; T213-N216 PolarHBondContact N-OD1 3.23Å; T213-N216 PolarHBondContact O-N 2.99Å; T213-N216 PolarHBondContact O-OD1 3.44Å; T213-N216 VanDerWaalsContact O-OD1 3.13Å; T213-N216 PolarHBondContact OG1-N 3.29Å; T213-N216 PolarHBondContact OG1-ND2 3.28Å; T213-C217 VanDerWaalsContact O-CB 3.23Å; T213-C217 WeakPolarHBondContact O-CB 3.3Å; T213-C217 PolarHBondContact O-N 3.2Å | ||
| 214 | A | 96.9 | Very high | 97 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.2 | -35.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C217 E239 Q242 | A214-C217 PolarHBondContact O-SG 2.88Å; A214-E239 HydrophobicContact CB-CB 4.21Å; A214-Q242 HydrophobicContact CB-CB 3.99Å |
| 215 | D | 96.4 | Very high | 97 | Very high | 156 Ų | 156 | 39 Ų | 39 | 83% | 0.834 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -71 | -34.6 | -176.3 | -58.3 | -29.1 | 0 | 0 | 0 | 113.1 | T213 | T213-D215 PolarHBondContact O-N 3.47Å; T213-D215 PolarHBondContact OG1-N 3.48Å |
| 216 | N | 96.6 | Very high | 97 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -101.1 | -16.5 | -175.7 | 69 | 23.6 | 0 | 0 | 0 | 114.2 | T175 S211 T213 R218 A219 L220 | T175-N216 PolarHBondContact OG1-ND2 3.42Å; S211-N216 PolarHBondContact O-ND2 2.95Å; T213-N216 PolarHBondContact N-OD1 3.23Å; T213-N216 PolarHBondContact O-N 2.99Å; T213-N216 PolarHBondContact O-OD1 3.44Å; T213-N216 VanDerWaalsContact O-OD1 3.13Å; T213-N216 PolarHBondContact OG1-N 3.29Å; T213-N216 PolarHBondContact OG1-ND2 3.28Å; N216-R218 VanDerWaalsContact C-N 3.33Å; N216-R218 PolarHBondContact O-N 3.35Å; N216-A219 PolarHBondContact O-N 3.17Å; N216-L220 HydrophobicContact CB-CD1 4.49Å; N216-L220 PolarHBondContact O-N 2.91Å |
| 217 | C | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -36.9 | -171.3 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | V212 T213 A214 L220 A221 F229 I243 A246 | V212-C217 HydrophobicContact CG1-CB 4.13Å; T213-C217 VanDerWaalsContact O-CB 3.23Å; T213-C217 WeakPolarHBondContact O-CB 3.3Å; T213-C217 PolarHBondContact O-N 3.2Å; A214-C217 PolarHBondContact O-SG 2.88Å; C217-L220 PolarHBondContact O-N 3.32Å; C217-A221 WeakPolarHBondContact O-CB 3.14Å; C217-A221 PolarHBondContact O-N 3.45Å; C217-F229 HydrophobicContact CB-CD2 4.42Å; C217-F229 HydrophobicContact CB-CE2 3.8Å; C217-F229 HydrophobicContact CB-CZ 4.18Å; C217-F229 VanDerWaalsContact O-CZ 3.23Å; C217-F229 WeakPolarHBondContact O-CZ 3.41Å; C217-I243 HydrophobicContact CB-CB 4.45Å; C217-I243 HydrophobicContact CB-CG1 4.27Å; C217-I243 HydrophobicContact CB-CG2 4.08Å; C217-A246 HydrophobicContact CB-CB 4.03Å |
| 218 | R | 97.6 | Very high | 96.9 | Very high | 133 Ų | 133 | 37.5 Ų | 37.5 | 50% | 0.502 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66 | -44.2 | -178.9 | -68.1 | -168.8 | -178.4 | -91.1 | 5.8 | 111.8 | N216 L220 A221 Q222 A246 V248 | N216-R218 VanDerWaalsContact C-N 3.33Å; N216-R218 PolarHBondContact O-N 3.35Å; R218-L220 PolarHBondContact O-N 3.25Å; R218-A221 PolarHBondContact O-N 3.11Å; R218-Q222 WeakPolarHBondContact O-CG 3.48Å; R218-Q222 PolarHBondContact O-N 3.39Å; R218-A246 PolarHBondContact NH1-O 3.16Å; R218-V248 PolarHBondContact NH1-O 3.29Å |
| 219 | A | 97.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 37.5 Ų | 37.5 | 46% | 0.463 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P178 N216 | P178-A219 HydrophobicContact CG-CB 4.17Å; N216-A219 PolarHBondContact O-N 3.17Å |
| 220 | L | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.3 | -71.4 | 160.8 | 0 | 0 | 0 | 111.5 | T175 P178 A181 Y208 V212 N216 C217 R218 Q222 K223 I226 F229 | T175-L220 HydrophobicContact CG2-CD1 4.3Å; P178-L220 HydrophobicContact CB-CD2 4.32Å; P178-L220 HydrophobicContact CG-CD2 4.23Å; P178-L220 HydrophobicContact CG-CG 4.44Å; A181-L220 HydrophobicContact CB-CD2 4.04Å; Y208-L220 HydrophobicContact CD1-CD1 3.85Å; Y208-L220 HydrophobicContact CD1-CD2 4.09Å; Y208-L220 HydrophobicContact CE1-CD1 3.87Å; Y208-L220 HydrophobicContact CE1-CD2 4.21Å; V212-L220 HydrophobicContact CG2-CD1 4.46Å; N216-L220 HydrophobicContact CB-CD1 4.49Å; N216-L220 PolarHBondContact O-N 2.91Å; C217-L220 PolarHBondContact O-N 3.32Å; R218-L220 PolarHBondContact O-N 3.25Å; L220-Q222 PolarHBondContact O-N 2.95Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 WeakPolarHBondContact O-CG 3.21Å; L220-K223 PolarHBondContact O-N 3.45Å; L220-I226 HydrophobicContact CD2-CD1 4.2Å; L220-F229 HydrophobicContact CB-CE1 3.6Å; L220-F229 HydrophobicContact CB-CZ 3.75Å; L220-F229 HydrophobicContact CD1-CE1 4.15Å; L220-F229 HydrophobicContact CG-CE1 4.48Å |
| 221 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -21.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F6 C217 R218 K223 F229 A246 K247 | F6-A221 HydrophobicContact CE2-CB 4.28Å; F6-A221 HydrophobicContact CZ-CB 3.86Å; C217-A221 WeakPolarHBondContact O-CB 3.14Å; C217-A221 PolarHBondContact O-N 3.45Å; R218-A221 PolarHBondContact O-N 3.11Å; A221-K223 PolarHBondContact O-N 2.66Å; A221-F229 HydrophobicContact CB-CE2 4.2Å; A221-F229 HydrophobicContact CB-CZ 3.94Å; A221-A246 HydrophobicContact CB-CB 4.01Å; A221-K247 HydrophobicContact CB-CG 3.92Å; A221-K247 WeakPolarHBondContact O-CE 3.23Å |
| 222 | Q | 96.5 | Very high | 97.4 | Very high | 141 Ų | 141 | 37.2 Ų | 37.2 | 66% | 0.659 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.9 | 175.1 | -66.6 | -52.3 | -39.2 | 0 | 0 | 113.5 | R218 L220 | R218-Q222 WeakPolarHBondContact O-CG 3.48Å; R218-Q222 PolarHBondContact O-N 3.39Å; L220-Q222 PolarHBondContact O-N 2.95Å |
| 223 | K | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -74.8 | 131.7 | -178.7 | -63.9 | -58.2 | -174.8 | -176.7 | 0 | 111.3 | P178 E179 Q182 L220 A221 D225 I226 | P178-K223 VanDerWaalsContact C-CE 3.43Å; P178-K223 HydrophobicContact CB-CD 4.22Å; P178-K223 HydrophobicContact CB-CG 4.03Å; P178-K223 WeakPolarHBondContact O-CE 3.47Å; E179-K223 WeakPolarHBondContact OE1-CE 3.41Å; E179-K223 IonicContact OE1-NZ 3.76Å; E179-K223 PolarHBondContact OE1-NZ 2.98Å; Q182-K223 HydrophobicContact CB-CB 4.1Å; Q182-K223 HydrophobicContact CB-CD 4Å; Q182-K223 HydrophobicContact CB-CG 4.07Å; Q182-K223 HydrophobicContact CG-CB 4.47Å; Q182-K223 HydrophobicContact CG-CD 4.36Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 WeakPolarHBondContact O-CG 3.21Å; L220-K223 PolarHBondContact O-N 3.45Å; A221-K223 PolarHBondContact O-N 2.66Å; K223-D225 VanDerWaalsContact C-N 3.28Å; K223-D225 PolarHBondContact O-N 2.91Å; K223-I226 HydrophobicContact CB-CB 4.14Å; K223-I226 HydrophobicContact CB-CD1 3.69Å; K223-I226 HydrophobicContact CB-CG1 3.71Å; K223-I226 HydrophobicContact CG-CD1 4.02Å; K223-I226 PolarHBondContact O-N 2.84Å |
| 224 | P | 96.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 57% | 0.571 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.4 | -170 | -27.2 | 34.7 | 0 | 0 | 0 | 115.9 | R4 | R4-P224 PolarHBondContact NH2-O 3.31Š|
| 225 | D | 97.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.7 | -176.5 | -66.6 | -85.8 | 0 | 0 | 0 | 113 | Q182 H185 V186 R189 K223 | Q182-D225 PolarHBondContact NE2-OD2 2.73Å; H185-D225 HydrophobicContact CB-CB 3.73Å; H185-D225 PolarHBondContact ND1-O 3.43Å; V186-D225 HydrophobicContact CG2-CB 4.39Å; V186-D225 WeakPolarHBondContact CG2-OD2 3.27Å; R189-D225 WeakPolarHBondContact CD-OD1 3.36Å; R189-D225 IonicContact CZ-OD1 3.83Å; R189-D225 IonicContact NE-OD1 2.61Å; R189-D225 PolarHBondContact NE-OD1 3.41Å; R189-D225 PolarHBondContact NH2-O 3.46Å; R189-D225 IonicContact NH2-OD1 2.67Å; K223-D225 VanDerWaalsContact C-N 3.28Å; K223-D225 PolarHBondContact O-N 2.91Å |
| 226 | I | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -89.8 | 107 | 171.7 | -57 | -172.1 | 0 | 0 | 0 | 109 | A181 L220 K223 F229 | A181-I226 HydrophobicContact CB-CD1 3.66Å; L220-I226 HydrophobicContact CD2-CD1 4.2Å; K223-I226 HydrophobicContact CB-CB 4.14Å; K223-I226 HydrophobicContact CB-CD1 3.69Å; K223-I226 HydrophobicContact CB-CG1 3.71Å; K223-I226 HydrophobicContact CG-CD1 4.02Å; K223-I226 PolarHBondContact O-N 2.84Å; I226-F229 HydrophobicContact CG2-CE1 4.08Å | ||
| 227 | D | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -99.3 | 6 | -176 | -56.7 | -49.1 | 0 | 0 | 0 | 113 | R4 F6 I7 R189 R205 I206 | R4-D227 WeakPolarHBondContact CD-OD2 3.2Å; R4-D227 IonicContact CZ-OD1 2.73Å; R4-D227 IonicContact NE-OD1 3.05Å; R4-D227 PolarHBondContact NE-OD1 3.3Å; R4-D227 IonicContact NE-OD2 2.79Å; R4-D227 PolarHBondContact NE-OD2 3.27Å; R4-D227 IonicContact NH2-OD1 3.94Å; R4-D227 PolarHBondContact NH2-OD1 3.15Å; F6-D227 CarbonylContact C-O 3.6Å; F6-D227 WeakPolarHBondContact CA-O 3.31Å; F6-D227 VanDerWaalsContact CD2-O 3.25Å; F6-D227 WeakPolarHBondContact CD2-O 3.18Å; F6-D227 VanDerWaalsContact CE2-C 3.5Å; I7-D227 PolarHBondContact N-O 3.2Å; R189-D227 IonicContact CZ-OD2 2.74Å; R189-D227 IonicContact NH1-OD2 3.42Å; R189-D227 IonicContact NH2-OD1 3.91Å; R189-D227 IonicContact NH2-OD2 3.31Å; R189-D227 PolarHBondContact NH2-OD2 3.05Å; R205-D227 WeakPolarHBondContact CA-OD2 3.45Å; R205-D227 HydrophobicContact CB-CB 3.93Å; R205-D227 HydrophobicContact CG-CB 4.11Å; I206-D227 PolarHBondContact N-OD2 3.24Å; I206-D227 PolarHBondContact O-N 3.29Å | ||
| 228 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | -174.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F6 I7 M207 Y208 | F6-G228 VanDerWaalsContact CE2-N 3.34Å; I7-G228 CarbonylContact O-C 3.25Å; I7-G228 WeakPolarHBondContact O-CA 3.4Å; M207-G228 WeakPolarHBondContact CA-O 3.15Å; Y208-G228 PolarHBondContact N-O 3.22Å |
| 229 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.1 | 179.4 | -56.9 | -58.4 | 0 | 0 | 0 | 114 | F6 I7 V8 G9 M207 Y208 V212 C217 L220 A221 I226 V231 I243 A246 | F6-F229 HydrophobicContact CE1-CD2 4.08Å; F6-F229 AromaticContact CE1-CE2 3.93Å; F6-F229 HydrophobicContact CE1-CE2 3.93Å; F6-F229 AromaticContact CZ-CD2 3.99Å; F6-F229 HydrophobicContact CZ-CD2 3.99Å; F6-F229 AromaticContact CZ-CE2 3.57Å; F6-F229 HydrophobicContact CZ-CE2 3.57Å; F6-F229 HydrophobicContact CZ-CZ 4.04Å; I7-F229 PolarHBondContact O-N 3.14Å; V8-F229 CarbonylContact C-O 3.41Å; V8-F229 WeakPolarHBondContact CA-O 3.28Å; V8-F229 HydrophobicContact CG2-CD2 4.38Å; G9-F229 PolarHBondContact N-O 3.48Å; M207-F229 WeakPolarHBondContact CE-O 3.48Å; Y208-F229 HydrophobicContact CD1-CD1 4.35Å; Y208-F229 CarbonylContact O-C 3.45Å; Y208-F229 WeakPolarHBondContact O-CA 3.25Å; V212-F229 HydrophobicContact CG1-CB 4.18Å; V212-F229 HydrophobicContact CG1-CD1 3.96Å; V212-F229 HydrophobicContact CG1-CD2 4.22Å; V212-F229 HydrophobicContact CG1-CE1 4.45Å; V212-F229 HydrophobicContact CG1-CG 3.85Å; V212-F229 HydrophobicContact CG2-CB 4.41Å; V212-F229 HydrophobicContact CG2-CD1 3.88Å; V212-F229 HydrophobicContact CG2-CG 4.35Å; C217-F229 HydrophobicContact CB-CD2 4.42Å; C217-F229 HydrophobicContact CB-CE2 3.8Å; C217-F229 HydrophobicContact CB-CZ 4.18Å; C217-F229 VanDerWaalsContact O-CZ 3.23Å; C217-F229 WeakPolarHBondContact O-CZ 3.41Å; L220-F229 HydrophobicContact CB-CE1 3.6Å; L220-F229 HydrophobicContact CB-CZ 3.75Å; L220-F229 HydrophobicContact CD1-CE1 4.15Å; L220-F229 HydrophobicContact CG-CE1 4.48Å; A221-F229 HydrophobicContact CB-CE2 4.2Å; A221-F229 HydrophobicContact CB-CZ 3.94Å; I226-F229 HydrophobicContact CG2-CE1 4.08Å; F229-V231 HydrophobicContact CB-CG2 3.74Å; F229-I243 HydrophobicContact CB-CG2 4.3Å; F229-I243 HydrophobicContact CD2-CG2 3.54Å; F229-I243 HydrophobicContact CE2-CG2 4.26Å; F229-I243 HydrophobicContact CG-CG2 4.21Å; F229-A246 HydrophobicContact CE2-CB 3.95Å |
| 230 | L | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.5 | 162.2 | -171.5 | 58.8 | 0 | 0 | 0 | 108.8 | N11 I92 I124 A163 M207 Y208 G209 | N11-L230 HydrophobicContact CB-CD1 4.18Å; I92-L230 HydrophobicContact CD1-CD1 4.16Å; I124-L230 HydrophobicContact CG2-CD2 4.06Å; A163-L230 HydrophobicContact CB-CB 4.25Å; A163-L230 HydrophobicContact CB-CD2 3.79Å; M207-L230 HydrophobicContact CE-CB 4.48Å; Y208-L230 PolarHBondContact O-N 2.8Å; G209-L230 WeakPolarHBondContact CA-O 3.44Å |
| 231 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.1 | -166.2 | -171.8 | 0 | 0 | 0 | 0 | 110 | V8 G9 N11 V212 F229 A234 S235 F240 I243 | V8-V231 HydrophobicContact CG1-CG2 4.17Å; G9-V231 PolarHBondContact O-N 3.16Å; N11-V231 PolarHBondContact N-O 3.15Å; V212-V231 HydrophobicContact CB-CG2 4.43Å; V212-V231 HydrophobicContact CG1-CG2 4.39Å; F229-V231 HydrophobicContact CB-CG2 3.74Å; V231-A234 HydrophobicContact CG1-CB 3.63Å; V231-S235 WeakPolarHBondContact O-CB 3.4Å; V231-S235 PolarHBondContact O-OG 3.12Å; V231-F240 HydrophobicContact CB-CD2 4.15Å; V231-F240 HydrophobicContact CB-CE2 3.81Å; V231-F240 HydrophobicContact CG1-CD2 4.14Å; V231-F240 HydrophobicContact CG1-CE2 4.32Å; V231-F240 HydrophobicContact CG2-CD2 4.26Å; V231-F240 HydrophobicContact CG2-CE2 3.83Å; V231-I243 HydrophobicContact CG1-CD1 3.95Å; V231-I243 HydrophobicContact CG2-CD1 4.37Å; V231-I243 HydrophobicContact CG2-CG2 3.98Å |
| 232 | G | 97.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -81.9 | -107.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A234 S235 | G232-A234 VanDerWaalsContact C-N 3.31Å; G232-A234 PolarHBondContact O-N 3.12Å; G232-S235 VanDerWaalsContact O-CB 3.29Å; G232-S235 WeakPolarHBondContact O-CB 3.31Å; G232-S235 PolarHBondContact O-N 2.75Å; G232-S235 PolarHBondContact O-OG 3.2Å |
| 233 | G | 96.2 | Very high | 97.6 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 52% | 0.515 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -56.8 | -35.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S235 L236 | G233-S235 PolarHBondContact O-N 3.41Å; G233-L236 WeakPolarHBondContact O-CB 3.34Å; G233-L236 PolarHBondContact O-N 2.79Å |
| 234 | A | 97.1 | Very high | 97.7 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -68.3 | -19.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V231 G232 L236 K237 E239 I243 | V231-A234 HydrophobicContact CG1-CB 3.63Å; G232-A234 VanDerWaalsContact C-N 3.31Å; G232-A234 PolarHBondContact O-N 3.12Å; A234-L236 PolarHBondContact O-N 3.47Å; A234-K237 PolarHBondContact O-N 2.79Å; A234-E239 WeakPolarHBondContact CA-OE1 3.42Å; A234-E239 HydrophobicContact CB-CG 4.18Å; A234-E239 WeakPolarHBondContact CB-OE1 2.9Å; A234-I243 HydrophobicContact CB-CD1 3.81Å |
| 235 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -71.2 | -14.4 | 176.1 | 74 | 0 | 0 | 0 | 0 | 114 | G10 V231 G232 G233 K237 | G10-S235 VanDerWaalsContact CA-CB 3.44Å; V231-S235 WeakPolarHBondContact O-CB 3.4Å; V231-S235 PolarHBondContact O-OG 3.12Å; G232-S235 VanDerWaalsContact O-CB 3.29Å; G232-S235 WeakPolarHBondContact O-CB 3.31Å; G232-S235 PolarHBondContact O-N 2.75Å; G232-S235 PolarHBondContact O-OG 3.2Å; G233-S235 PolarHBondContact O-N 3.41Å; S235-K237 VanDerWaalsContact C-N 3.28Å |
| 236 | L | 98 | Very high | 97.6 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -86.7 | -1.4 | 177.6 | -54.7 | 178.4 | 0 | 0 | 0 | 112.4 | W12 N15 M20 I24 G233 A234 | W12-L236 HydrophobicContact CB-CD2 3.69Å; W12-L236 HydrophobicContact CD2-CD2 4.45Å; W12-L236 HydrophobicContact CG-CD2 3.73Å; N15-L236 HydrophobicContact CB-CD1 3.77Å; N15-L236 HydrophobicContact CB-CD2 4.4Å; M20-L236 HydrophobicContact CE-CB 3.77Å; M20-L236 HydrophobicContact CE-CD1 3.92Å; M20-L236 HydrophobicContact CE-CD2 4.15Å; M20-L236 HydrophobicContact CE-CG 4.16Å; I24-L236 HydrophobicContact CD1-CB 4.45Å; I24-L236 HydrophobicContact CD1-CD2 3.86Å; G233-L236 WeakPolarHBondContact O-CB 3.34Å; G233-L236 PolarHBondContact O-N 2.79Å; A234-L236 PolarHBondContact O-N 3.47Å |
| 237 | K | 97.5 | Very high | 97.2 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 47% | 0.474 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -126 | 155.7 | -170.6 | -61.9 | 178.1 | -173.9 | 176.1 | 0 | 111.3 | F27 A234 S235 E239 F240 | F27-K237 VanDerWaalsContact CZ-C 3.49Å; F27-K237 VanDerWaalsContact CZ-O 3.28Å; F27-K237 WeakPolarHBondContact CZ-O 3.2Å; A234-K237 PolarHBondContact O-N 2.79Å; S235-K237 VanDerWaalsContact C-N 3.28Å; K237-E239 HydrophobicContact CB-CG 3.98Å; K237-E239 PolarHBondContact O-N 3.33Å; K237-F240 VanDerWaalsContact O-CB 3.29Å; K237-F240 WeakPolarHBondContact O-CB 3.47Å; K237-F240 PolarHBondContact O-N 2.97Å |
| 238 | P | 97.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 58% | 0.578 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -24.5 | 177 | -26.9 | 35.6 | 0 | 0 | 0 | 114.7 | F27 F240 I241 | F27-P238 HydrophobicContact CD1-CG 4.1Å; F27-P238 HydrophobicContact CG-CB 4.46Å; F27-P238 HydrophobicContact CG-CG 4.41Å; P238-F240 PolarHBondContact O-N 3.31Å; P238-F240 VanDerWaalsContact O-N 3.12Å; P238-I241 PolarHBondContact O-N 2.71Å; P238-I241 VanDerWaalsContact O-N 3.12Å |
| 239 | E | 96.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20 | 175.9 | 77.1 | -166 | -169.9 | 0 | 0 | 113.2 | A214 A234 K237 I241 Q242 I243 | A214-E239 HydrophobicContact CB-CB 4.21Å; A234-E239 WeakPolarHBondContact CA-OE1 3.42Å; A234-E239 HydrophobicContact CB-CG 4.18Å; A234-E239 WeakPolarHBondContact CB-OE1 2.9Å; K237-E239 HydrophobicContact CB-CG 3.98Å; K237-E239 PolarHBondContact O-N 3.33Å; E239-I241 PolarHBondContact O-N 3.36Å; E239-Q242 WeakPolarHBondContact O-CA 3.42Å; E239-Q242 VanDerWaalsContact O-CB 3.32Å; E239-Q242 WeakPolarHBondContact O-CB 3.4Å; E239-Q242 PolarHBondContact O-N 3.45Å; E239-I243 PolarHBondContact O-N 3.28Å |
| 240 | F | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.7 | -33.4 | 172.9 | -171.9 | -119.9 | 0 | 0 | 0 | 112.9 | V8 F27 L28 V39 V231 K237 P238 Q242 I243 V244 | V8-F240 HydrophobicContact CG1-CD2 4.44Å; V8-F240 HydrophobicContact CG1-CE2 3.5Å; V8-F240 HydrophobicContact CG1-CZ 3.67Å; F27-F240 HydrophobicContact CE2-CB 4.32Å; L28-F240 HydrophobicContact CD2-CD1 3.79Å; L28-F240 HydrophobicContact CD2-CE1 4.04Å; V39-F240 HydrophobicContact CG1-CE1 4.25Å; V231-F240 HydrophobicContact CB-CD2 4.15Å; V231-F240 HydrophobicContact CB-CE2 3.81Å; V231-F240 HydrophobicContact CG1-CD2 4.14Å; V231-F240 HydrophobicContact CG1-CE2 4.32Å; V231-F240 HydrophobicContact CG2-CD2 4.26Å; V231-F240 HydrophobicContact CG2-CE2 3.83Å; K237-F240 VanDerWaalsContact O-CB 3.29Å; K237-F240 WeakPolarHBondContact O-CB 3.47Å; K237-F240 PolarHBondContact O-N 2.97Å; P238-F240 PolarHBondContact O-N 3.31Å; P238-F240 VanDerWaalsContact O-N 3.12Å; F240-Q242 VanDerWaalsContact C-N 3.26Å; F240-Q242 PolarHBondContact O-N 3.36Å; F240-I243 WeakPolarHBondContact O-CB 3.29Å; F240-I243 PolarHBondContact O-N 3.24Å; F240-I243 VanDerWaalsContact O-N 3.13Å; F240-V244 HydrophobicContact CD1-CG2 4.29Å; F240-V244 HydrophobicContact CE1-CG2 4.07Å; F240-V244 HydrophobicContact CZ-CG2 4.32Å; F240-V244 WeakPolarHBondContact O-CG2 3.25Å; F240-V244 PolarHBondContact O-N 3.43Å |
| 241 | I | 97.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 175.9 | -56.9 | -61.6 | 0 | 0 | 0 | 111.4 | F27 L28 L33 P238 E239 I243 V244 K245 | F27-I241 HydrophobicContact CD2-CD1 4.2Å; F27-I241 HydrophobicContact CD2-CG1 4.11Å; L28-I241 HydrophobicContact CD2-CD1 4.07Å; L33-I241 HydrophobicContact CD2-CD1 3.9Å; P238-I241 PolarHBondContact O-N 2.71Å; P238-I241 VanDerWaalsContact O-N 3.12Å; E239-I241 PolarHBondContact O-N 3.36Å; I241-I243 VanDerWaalsContact C-N 3.35Å; I241-V244 PolarHBondContact O-N 3.49Å; I241-K245 HydrophobicContact CG2-CD 4.19Å; I241-K245 WeakPolarHBondContact O-CG 3.47Å; I241-K245 PolarHBondContact O-N 3.47Å; I241-K245 VanDerWaalsContact O-N 3.1Å |
| 242 | Q | 97.1 | Very high | 96.1 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 175.6 | -55.9 | -176 | 34.4 | 0 | 0 | 110.9 | A214 E239 F240 K245 A246 | A214-Q242 HydrophobicContact CB-CB 3.99Å; E239-Q242 WeakPolarHBondContact O-CA 3.42Å; E239-Q242 VanDerWaalsContact O-CB 3.32Å; E239-Q242 WeakPolarHBondContact O-CB 3.4Å; E239-Q242 PolarHBondContact O-N 3.45Å; F240-Q242 VanDerWaalsContact C-N 3.26Å; F240-Q242 PolarHBondContact O-N 3.36Å; Q242-K245 CarbonylContact O-C 3.39Å; Q242-K245 PolarHBondContact O-N 2.91Å; Q242-K245 VanDerWaalsContact O-N 3.15Å; Q242-A246 PolarHBondContact O-N 3.25Å |
| 243 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.6 | -56.4 | 171.5 | 0 | 0 | 0 | 110.9 | V8 V212 C217 F229 V231 A234 E239 F240 I241 K245 A246 | V8-I243 HydrophobicContact CG1-CG2 4.16Å; V212-I243 HydrophobicContact CG1-CD1 4.32Å; V212-I243 HydrophobicContact CG1-CG2 3.99Å; C217-I243 HydrophobicContact CB-CB 4.45Å; C217-I243 HydrophobicContact CB-CG1 4.27Å; C217-I243 HydrophobicContact CB-CG2 4.08Å; F229-I243 HydrophobicContact CB-CG2 4.3Å; F229-I243 HydrophobicContact CD2-CG2 3.54Å; F229-I243 HydrophobicContact CE2-CG2 4.26Å; F229-I243 HydrophobicContact CG-CG2 4.21Å; V231-I243 HydrophobicContact CG1-CD1 3.95Å; V231-I243 HydrophobicContact CG2-CD1 4.37Å; V231-I243 HydrophobicContact CG2-CG2 3.98Å; A234-I243 HydrophobicContact CB-CD1 3.81Å; E239-I243 PolarHBondContact O-N 3.28Å; F240-I243 WeakPolarHBondContact O-CB 3.29Å; F240-I243 PolarHBondContact O-N 3.24Å; F240-I243 VanDerWaalsContact O-N 3.13Å; I241-I243 VanDerWaalsContact C-N 3.35Å; I243-K245 PolarHBondContact O-N 2.89Å; I243-A246 WeakPolarHBondContact O-CB 3.33Å; I243-A246 PolarHBondContact O-N 3.22Å; I243-A246 VanDerWaalsContact O-N 3.13Å |
| 244 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 172.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | V8 L33 V37 V39 F240 I241 A246 | V8-V244 HydrophobicContact CB-CG2 4.12Å; V8-V244 HydrophobicContact CG1-CG2 4Å; L33-V244 HydrophobicContact CD2-CG1 4.13Å; V37-V244 HydrophobicContact CG1-CG1 4.18Å; V39-V244 HydrophobicContact CG1-CG2 4.14Å; V39-V244 HydrophobicContact CG2-CG1 3.65Å; V39-V244 HydrophobicContact CG2-CG2 4.07Å; F240-V244 HydrophobicContact CD1-CG2 4.29Å; F240-V244 HydrophobicContact CE1-CG2 4.07Å; F240-V244 HydrophobicContact CZ-CG2 4.32Å; F240-V244 WeakPolarHBondContact O-CG2 3.25Å; F240-V244 PolarHBondContact O-N 3.43Å; I241-V244 PolarHBondContact O-N 3.49Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 2.97Å |
| 245 | K | 96.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 49.1 Ų | 49.1 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 14.5 | 179.4 | -63.8 | 174.3 | -175.9 | 177.6 | 0 | 113.4 | E31 P34 I241 Q242 I243 K247 V248 | E31-K245 IonicContact OE2-NZ 2.73Å; E31-K245 PolarHBondContact OE2-NZ 3.18Å; P34-K245 HydrophobicContact CG-CG 3.98Å; I241-K245 HydrophobicContact CG2-CD 4.19Å; I241-K245 WeakPolarHBondContact O-CG 3.47Å; I241-K245 PolarHBondContact O-N 3.47Å; I241-K245 VanDerWaalsContact O-N 3.1Å; Q242-K245 CarbonylContact O-C 3.39Å; Q242-K245 PolarHBondContact O-N 2.91Å; Q242-K245 VanDerWaalsContact O-N 3.15Å; I243-K245 PolarHBondContact O-N 2.89Å; K245-K247 VanDerWaalsContact C-N 3.3Å; K245-K247 PolarHBondContact O-N 3.4Å; K245-V248 PolarHBondContact O-N 2.99Å; K245-V248 VanDerWaalsContact O-N 3.07Å |
| 246 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F6 C217 R218 A221 F229 Q242 I243 V244 | F6-A246 HydrophobicContact CE1-CB 4.43Å; C217-A246 HydrophobicContact CB-CB 4.03Å; R218-A246 PolarHBondContact NH1-O 3.16Å; A221-A246 HydrophobicContact CB-CB 4.01Å; F229-A246 HydrophobicContact CE2-CB 3.95Å; Q242-A246 PolarHBondContact O-N 3.25Å; I243-A246 WeakPolarHBondContact O-CB 3.33Å; I243-A246 PolarHBondContact O-N 3.22Å; I243-A246 VanDerWaalsContact O-N 3.13Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 2.97Å |
| 247 | K | 89.5 | Confident | 95.5 | Very high | 98 Ų | 98 | 55 Ų | 55 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.6 | 176.6 | -86.6 | -153.8 | 173.5 | 174.3 | 0 | 114.5 | F6 A221 K245 | F6-K247 HydrophobicContact CB-CD 4.49Å; F6-K247 HydrophobicContact CD1-CB 4.48Å; F6-K247 HydrophobicContact CD1-CG 4.46Å; F6-K247 HydrophobicContact CD2-CD 3.56Å; F6-K247 HydrophobicContact CD2-CG 3.97Å; F6-K247 HydrophobicContact CE1-CG 4.45Å; F6-K247 HydrophobicContact CE2-CD 3.87Å; F6-K247 HydrophobicContact CE2-CG 3.94Å; F6-K247 HydrophobicContact CG-CB 4.45Å; F6-K247 HydrophobicContact CG-CD 4.06Å; F6-K247 HydrophobicContact CG-CG 4.23Å; F6-K247 HydrophobicContact CZ-CG 4.19Å; A221-K247 HydrophobicContact CB-CG 3.92Å; A221-K247 WeakPolarHBondContact O-CE 3.23Å; K245-K247 VanDerWaalsContact C-N 3.3Å; K245-K247 PolarHBondContact O-N 3.4Å |
| 248 | V | 84.3 | Confident | 95.4 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 70% | 0.697 | 26% | 0.259 | S | S | * | . | trans | -112.5 | 0 | -178.3 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | P34 R218 K245 | P34-V248 HydrophobicContact CB-CG2 3.83Å; P34-V248 HydrophobicContact CG-CB 4.46Å; P34-V248 HydrophobicContact CG-CG2 3.79Å; R218-V248 PolarHBondContact NH1-O 3.29Å; K245-V248 PolarHBondContact O-N 2.99Å; K245-V248 VanDerWaalsContact O-N 3.07Å |
Retrieved 248 of 248 residues in 594.3 ms
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