| 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 | 28.3 | Very low | 32.7 | Very low | 217 Ų | 217 | 85.5 Ų | 85.5 | 100% | 1.069 | 40% | 0.4 | S | S | * | . | 0 | -58.5 | 0 | -85 | -175.8 | 168.6 | 0 | 0 | 113.4 | F3 R4 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.13Å; M1-F3 VanDerWaalsContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 3.11Å | |||
| 2 | V | 29 | Very low | 32.8 | Very low | 105 Ų | 105 | 78.8 Ų | 78.8 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -47.6 | -46.3 | -175.5 | -176.6 | 0 | 0 | 0 | 0 | 113.6 | R4 R5 D6 | V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.27Å; V2-R4 VanDerWaalsContact O-N 3.13Å; V2-R5 VanDerWaalsContact O-CB 3.28Å; V2-R5 WeakPolarHBondContact O-CB 3.46Å; V2-R5 PolarHBondContact O-N 2.83Å; V2-D6 PolarHBondContact O-N 3.14Å |
| 3 | F | 27.9 | Very low | 33.2 | Very low | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.592 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -52.2 | -34.4 | 178.1 | -84.6 | -96.7 | 0 | 0 | 0 | 115.9 | M1 R5 D6 V7 P978 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 3.13Å; M1-F3 VanDerWaalsContact O-N 3.14Å; F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.14Å; F3-D6 PolarHBondContact O-N 3.23Å; F3-V7 WeakPolarHBondContact O-CG2 3.03Å; F3-V7 PolarHBondContact O-N 3.01Å; F3-V7 VanDerWaalsContact O-N 3.17Å; F3-P978 HydrophobicContact CE1-CG 4.06Å; F3-P978 HydrophobicContact CZ-CB 4.49Å; F3-P978 HydrophobicContact CZ-CG 4.08Å |
| 4 | R | 30.3 | Very low | 33.2 | Very low | 147 Ų | 147 | 71.9 Ų | 71.9 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.2 | -29.8 | 177.7 | -89.2 | -171.2 | 175 | 173.8 | -0.2 | 112.5 | M1 V2 K8 T2234 | M1-R4 PolarHBondContact O-N 3.11Å; V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.27Å; V2-R4 VanDerWaalsContact O-N 3.13Å; R4-K8 PolarHBondContact O-N 3.44Å; R4-K8 VanDerWaalsContact O-N 3.15Å; R4-T2234 PolarHBondContact NE-O 2.79Å; R4-T2234 PolarHBondContact NH2-O 3.22Å |
| 5 | R | 34.9 | Very low | 33.3 | Very low | 84 Ų | 84 | 68.6 Ų | 68.6 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -54 | 172.7 | -109.4 | -161.1 | -179.7 | 77.5 | 20.6 | 110.5 | V2 F3 V7 K8 Y9 E39 R911 | V2-R5 VanDerWaalsContact O-CB 3.28Å; V2-R5 WeakPolarHBondContact O-CB 3.46Å; V2-R5 PolarHBondContact O-N 2.83Å; F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.14Å; R5-V7 VanDerWaalsContact C-N 3.31Å; R5-V7 PolarHBondContact O-N 2.67Å; R5-K8 PolarHBondContact O-N 3.19Å; R5-Y9 WeakPolarHBondContact O-CB 3.48Å; R5-Y9 PolarHBondContact O-N 3.22Å; R5-E39 WeakPolarHBondContact CG-OE1 3.44Å; R5-E39 IonicContact CZ-OE1 3.41Å; R5-E39 IonicContact CZ-OE2 3.89Å; R5-E39 IonicContact NE-OE1 2.87Å; R5-E39 PolarHBondContact NE-OE1 3.45Å; R5-E39 VanDerWaalsContact NE-OE1 3.16Å; R5-E39 IonicContact NE-OE2 3.58Å; R5-E39 IonicContact NH1-OE1 2.7Å; R5-E39 PolarHBondContact NH1-OE1 2.78Å; R5-E39 IonicContact NH1-OE2 3.91Å; R5-E39 PolarHBondContact NH1-OE2 3.15Å; R5-E39 IonicContact NH2-OE1 3.09Å; R5-E39 PolarHBondContact NH2-OE1 3.24Å; R5-E39 IonicContact NH2-OE2 3.2Å; R5-E39 PolarHBondContact NH2-OE2 3.2Å; R5-R911 VanDerWaalsContact NH2-CZ 3.26Å; R5-R911 VanDerWaalsContact NH2-NH1 3.16Å; R5-R911 VanDerWaalsContact NH2-NH2 3.15Å |
| 6 | D | 34.3 | Very low | 33.6 | Very low | 38 Ų | 38 | 65.1 Ų | 65.1 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | -175.4 | -77.8 | -61.6 | 0 | 0 | 0 | 110.7 | V2 F3 Y9 Q10 I976 | V2-D6 PolarHBondContact O-N 3.14Å; F3-D6 PolarHBondContact O-N 3.23Å; D6-Y9 PolarHBondContact O-N 3.38Å; D6-Q10 WeakPolarHBondContact O-CA 3.47Å; D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.16Å; D6-I976 WeakPolarHBondContact OD1-CB 3.43Å |
| 7 | V | 34.5 | Very low | 33.7 | Very low | 56 Ų | 56 | 65.2 Ų | 65.2 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -47.8 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | F3 R5 Y9 Q10 I11 | F3-V7 WeakPolarHBondContact O-CG2 3.03Å; F3-V7 PolarHBondContact O-N 3.01Å; F3-V7 VanDerWaalsContact O-N 3.17Å; R5-V7 VanDerWaalsContact C-N 3.31Å; R5-V7 PolarHBondContact O-N 2.67Å; V7-Y9 PolarHBondContact O-N 2.89Å; V7-Q10 PolarHBondContact O-N 2.98Å; V7-I11 HydrophobicContact CG1-CD1 3.61Å; V7-I11 HydrophobicContact CG1-CG1 4.45Å; V7-I11 VanDerWaalsContact O-CB 3.28Å; V7-I11 WeakPolarHBondContact O-CB 3.38Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.48Å; V7-I11 PolarHBondContact O-N 3.17Å; V7-I11 VanDerWaalsContact O-N 3.1Å |
| 8 | K | 36.5 | Very low | 33.9 | Very low | 48 Ų | 48 | 65 Ų | 65 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.4 | -50.3 | 174 | -87 | -159.5 | 168.4 | -160.7 | 0 | 111.5 | R4 R5 I11 A12 Y38 V2231 | R4-K8 PolarHBondContact O-N 3.44Å; R4-K8 VanDerWaalsContact O-N 3.15Å; R5-K8 PolarHBondContact O-N 3.19Å; K8-I11 PolarHBondContact O-N 2.79Å; K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 3.04Å; K8-Y38 HydrophobicContact CD-CE1 4.44Å; K8-Y38 VanDerWaalsContact NZ-CZ 3.34Å; K8-Y38 PolarHBondContact NZ-OH 3.38Å; K8-V2231 HydrophobicContact CB-CG1 4.31Å; K8-V2231 HydrophobicContact CB-CG2 4.38Å; K8-V2231 HydrophobicContact CD-CG1 4.44Å; K8-V2231 HydrophobicContact CG-CB 4.06Å; K8-V2231 HydrophobicContact CG-CG1 3.43Å; K8-V2231 VanDerWaalsContact CG-CG1 3.43Å; K8-V2231 HydrophobicContact CG-CG2 4Å |
| 9 | Y | 38.6 | Very low | 34 | Very low | 63 Ų | 63 | 61.8 Ų | 61.8 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -45.8 | -179.1 | -160.4 | -105.7 | 0 | 0 | 0 | 112.1 | R5 D6 V7 I11 A12 K13 | R5-Y9 WeakPolarHBondContact O-CB 3.48Å; R5-Y9 PolarHBondContact O-N 3.22Å; D6-Y9 PolarHBondContact O-N 3.38Å; V7-Y9 PolarHBondContact O-N 2.89Å; Y9-I11 PolarHBondContact O-N 3.15Å; Y9-I11 VanDerWaalsContact O-N 3.15Å; Y9-A12 PolarHBondContact O-N 3.42Å; Y9-K13 HydrophobicContact CD1-CD 3.61Å; Y9-K13 HydrophobicContact CD1-CG 4.31Å; Y9-K13 HydrophobicContact CE1-CD 3.76Å; Y9-K13 HydrophobicContact CE1-CG 4.41Å; Y9-K13 HydrophobicContact CG-CD 4.4Å; Y9-K13 VanDerWaalsContact O-CB 3.26Å; Y9-K13 WeakPolarHBondContact O-CB 3.32Å; Y9-K13 VanDerWaalsContact O-CD 3.31Å; Y9-K13 WeakPolarHBondContact O-CD 3.28Å; Y9-K13 WeakPolarHBondContact O-CG 3.28Å; Y9-K13 PolarHBondContact O-N 2.94Å |
| 10 | Q | 33.8 | Very low | 34.2 | Very low | 23 Ų | 23 | 59.3 Ų | 59.3 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.5 | -31.6 | 176.6 | -74.8 | -95.5 | 20.1 | 0 | 0 | 113.1 | D6 V7 I976 | D6-Q10 WeakPolarHBondContact O-CA 3.47Å; D6-Q10 WeakPolarHBondContact O-CB 3.32Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.16Å; V7-Q10 PolarHBondContact O-N 2.98Å; Q10-I976 PolarHBondContact NE2-O 2.84Å |
| 11 | I | 32.1 | Very low | 34.4 | Very low | 24 Ų | 24 | 57.2 Ų | 57.2 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -89 | -44.1 | -178.1 | -76.6 | 174.9 | 0 | 0 | 0 | 112.3 | V7 K8 Y9 K13 K14 I15 R2230 V2231 | V7-I11 HydrophobicContact CG1-CD1 3.61Å; V7-I11 HydrophobicContact CG1-CG1 4.45Å; V7-I11 VanDerWaalsContact O-CB 3.28Å; V7-I11 WeakPolarHBondContact O-CB 3.38Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.48Å; V7-I11 PolarHBondContact O-N 3.17Å; V7-I11 VanDerWaalsContact O-N 3.1Å; K8-I11 PolarHBondContact O-N 2.79Å; Y9-I11 PolarHBondContact O-N 3.15Å; Y9-I11 VanDerWaalsContact O-N 3.15Å; I11-K13 PolarHBondContact O-N 3.01Å; I11-K14 CarbonylContact O-C 3.58Å; I11-K14 VanDerWaalsContact O-CA 3.25Å; I11-K14 WeakPolarHBondContact O-CA 3.3Å; I11-K14 WeakPolarHBondContact O-CB 3.43Å; I11-K14 PolarHBondContact O-N 3.09Å; I11-I15 PolarHBondContact O-N 3.23Å; I11-R2230 HydrophobicContact CG2-CB 3.36Å; I11-R2230 HydrophobicContact CG2-CG 3.43Å; I11-R2230 VanDerWaalsContact CG2-CG 3.43Å; I11-R2230 WeakPolarHBondContact CG2-O 3.24Å; I11-V2231 HydrophobicContact CB-CG2 3.92Å; I11-V2231 HydrophobicContact CD1-CG1 4.21Å; I11-V2231 HydrophobicContact CD1-CG2 4.42Å; I11-V2231 HydrophobicContact CG2-CB 4.39Å; I11-V2231 HydrophobicContact CG2-CG2 3.43Å; I11-V2231 VanDerWaalsContact CG2-CG2 3.43Å |
| 12 | A | 33.7 | Very low | 34.7 | Very low | 6 Ų | 6 | 49.8 Ų | 49.8 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -31.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K8 Y9 K14 I15 L16 H2227 | K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 3.04Å; Y9-A12 PolarHBondContact O-N 3.42Å; A12-K14 VanDerWaalsContact C-N 3.25Å; A12-K14 PolarHBondContact O-N 3.47Å; A12-I15 PolarHBondContact O-N 3.49Å; A12-L16 PolarHBondContact O-N 3.42Å; A12-H2227 WeakPolarHBondContact CB-CE1 3.23Å; A12-H2227 WeakPolarHBondContact CB-NE2 3.35Å; A12-H2227 WeakPolarHBondContact CB-O 3.43Å; A12-H2227 PolarHBondContact O-CE1 2.83Å |
| 13 | K | 37.5 | Very low | 35.3 | Very low | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -20.2 | 163.8 | -69 | 171.9 | 83 | -137.9 | 0 | 115 | Y9 I11 Y973 W974 | Y9-K13 HydrophobicContact CD1-CD 3.61Å; Y9-K13 HydrophobicContact CD1-CG 4.31Å; Y9-K13 HydrophobicContact CE1-CD 3.76Å; Y9-K13 HydrophobicContact CE1-CG 4.41Å; Y9-K13 HydrophobicContact CG-CD 4.4Å; Y9-K13 VanDerWaalsContact O-CB 3.26Å; Y9-K13 WeakPolarHBondContact O-CB 3.32Å; Y9-K13 VanDerWaalsContact O-CD 3.31Å; Y9-K13 WeakPolarHBondContact O-CD 3.28Å; Y9-K13 WeakPolarHBondContact O-CG 3.28Å; Y9-K13 PolarHBondContact O-N 2.94Å; I11-K13 PolarHBondContact O-N 3.01Å; K13-Y973 WeakPolarHBondContact CE-O 3.38Å; K13-Y973 PolarHBondContact NZ-O 3.35Å; K13-W974 VanDerWaalsContact CD-O 3.28Å; K13-W974 WeakPolarHBondContact CD-O 3.49Å; K13-W974 WeakPolarHBondContact CE-O 3.46Å; K13-W974 PolarHBondContact NZ-O 2.7Å |
| 14 | K | 34 | Very low | 36.4 | Very low | 49 Ų | 49 | 44 Ų | 44 | 21% | 0.213 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -85.2 | -34.7 | 178.7 | -143.9 | 175 | -177.3 | 178.4 | 0 | 110.2 | I11 A12 L16 K17 R2230 S2247 | I11-K14 CarbonylContact O-C 3.58Å; I11-K14 VanDerWaalsContact O-CA 3.25Å; I11-K14 WeakPolarHBondContact O-CA 3.3Å; I11-K14 WeakPolarHBondContact O-CB 3.43Å; I11-K14 PolarHBondContact O-N 3.09Å; A12-K14 VanDerWaalsContact C-N 3.25Å; A12-K14 PolarHBondContact O-N 3.47Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-K17 HydrophobicContact CG-CD 3.94Å; K14-K17 VanDerWaalsContact O-CB 3.23Å; K14-K17 WeakPolarHBondContact O-CB 3.43Å; K14-K17 WeakPolarHBondContact O-CG 3.44Å; K14-K17 PolarHBondContact O-N 3.04Å; K14-R2230 PolarHBondContact O-NH1 3.12Å; K14-S2247 WeakPolarHBondContact CD-OG 3.4Å; K14-S2247 WeakPolarHBondContact CE-OG 3.39Å; K14-S2247 PolarHBondContact NZ-OG 3.38Å |
| 15 | I | 34.1 | Very low | 37.2 | Very low | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 166.5 | -67.2 | 165.8 | 0 | 0 | 0 | 110.6 | I11 A12 K17 N18 H2227 R2230 | I11-I15 PolarHBondContact O-N 3.23Å; A12-I15 PolarHBondContact O-N 3.49Å; I15-K17 PolarHBondContact O-N 3.15Å; I15-N18 PolarHBondContact O-N 2.87Å; I15-H2227 VanDerWaalsContact CD1-O 3.24Å; I15-H2227 WeakPolarHBondContact CD1-O 3.42Å; I15-R2230 HydrophobicContact CD1-CB 3.69Å; I15-R2230 HydrophobicContact CG1-CB 3.92Å |
| 16 | L | 38.7 | Very low | 38 | Very low | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 2.9 | 174.9 | -82.5 | 165.5 | 0 | 0 | 0 | 115.6 | A12 K14 L25 Y973 R1014 | A12-L16 PolarHBondContact O-N 3.42Å; K14-L16 VanDerWaalsContact C-N 3.32Å; L16-L25 HydrophobicContact CD2-CD2 4.08Å; L16-Y973 HydrophobicContact CD1-CD1 4.43Å; L16-Y973 HydrophobicContact CD1-CE1 3.71Å; L16-R1014 WeakPolarHBondContact O-CD 3.11Å; L16-R1014 PolarHBondContact O-NE 2.95Å; L16-R1014 PolarHBondContact O-NH1 3.18Å |
| 17 | K | 34.8 | Very low | 39 | Very low | 66 Ų | 66 | 35.7 Ų | 35.7 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -35.6 | 171.9 | -66.6 | -177.4 | 132.3 | -88.6 | 0 | 114 | K14 I15 R1014 T1024 | K14-K17 HydrophobicContact CG-CD 3.94Å; K14-K17 VanDerWaalsContact O-CB 3.23Å; K14-K17 WeakPolarHBondContact O-CB 3.43Å; K14-K17 WeakPolarHBondContact O-CG 3.44Å; K14-K17 PolarHBondContact O-N 3.04Å; I15-K17 PolarHBondContact O-N 3.15Å; K17-R1014 PolarHBondContact O-NE 3Å; K17-R1014 PolarHBondContact O-NH2 3.21Å; K17-T1024 HydrophobicContact CB-CG2 4.1Å; K17-T1024 WeakPolarHBondContact CB-OG1 3.25Å; K17-T1024 WeakPolarHBondContact CE-OG1 3.23Å; K17-T1024 HydrophobicContact CG-CG2 3.93Å; K17-T1024 WeakPolarHBondContact CG-OG1 3.45Å; K17-T1024 PolarHBondContact NZ-OG1 3.29Å |
| 18 | N | 37.4 | Very low | 39.9 | Very low | 62 Ų | 62 | 37.1 Ų | 37.1 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -104.8 | -1.7 | -161.9 | -61.3 | 12.2 | 0 | 0 | 0 | 114 | I15 D2251 | I15-N18 PolarHBondContact O-N 2.87Å; N18-D2251 PolarHBondContact ND2-OD1 3.02Å |
| 19 | V | 36.4 | Very low | 41.2 | Very low | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | trans | -88.5 | 119.7 | -166.2 | 173.2 | 0 | 0 | 0 | 0 | 113.6 | L25 R1014 P2224 | V19-L25 HydrophobicContact CG1-CD1 4.31Å; V19-L25 HydrophobicContact CG1-CD2 4.41Å; V19-R1014 PolarHBondContact O-NH1 3.38Å; V19-R1014 PolarHBondContact O-NH2 3.44Å; V19-P2224 HydrophobicContact CB-CB 4.05Å; V19-P2224 HydrophobicContact CG1-CB 3.46Å; V19-P2224 VanDerWaalsContact CG1-CB 3.46Å; V19-P2224 HydrophobicContact CG2-CB 3.88Å; V19-P2224 WeakPolarHBondContact CG2-O 3.37Å | ||
| 20 | P | 37.1 | Very low | 42.5 | Very low | 11 Ų | 11 | 33.8 Ų | 33.8 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | trans | -58.8 | 151.3 | 167.4 | -23.5 | 36.5 | 0 | 0 | 0 | 112.2 | I1017 | P20-I1017 HydrophobicContact CB-CD1 3.69Š| ||
| 21 | N | 39.6 | Very low | 44.1 | Very low | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.8 | -174 | -76.2 | -75.9 | 0 | 0 | 0 | 114.8 | H23 K971 L1015 I1017 | N21-H23 PolarHBondContact O-N 3.08Å; N21-K971 PolarHBondContact OD1-NZ 3.43Å; N21-L1015 PolarHBondContact ND2-O 2.84Å; N21-I1017 HydrophobicContact CB-CB 3.9Å; N21-I1017 HydrophobicContact CB-CG2 3.95Å; N21-I1017 PolarHBondContact ND2-N 3.19Å |
| 22 | D | 33.6 | Very low | 45.6 | Very low | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.2 | -176.4 | -52.2 | -41.5 | 0 | 0 | 0 | 113.8 | T966 I1017 | D22-T966 WeakPolarHBondContact OD1-CG2 3.41Å; D22-I1017 WeakPolarHBondContact OD1-CG2 3.21Å; D22-I1017 WeakPolarHBondContact OD2-CD1 3.45Å |
| 23 | H | 41.5 | Very low | 47.4 | Very low | 47 Ų | 47 | 36.1 Ų | 36.1 | 22% | 0.218 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -114.6 | 145.1 | -176.1 | -63.7 | -6.6 | 0 | 0 | 0 | 111.5 | N21 L25 H2223 Q2254 | N21-H23 PolarHBondContact O-N 3.08Å; H23-L25 VanDerWaalsContact C-N 3.27Å; H23-L25 PolarHBondContact O-N 3.17Å; H23-H2223 AromaticContact CD2-NE2 3.5Å; H23-H2223 AromaticContact CG-NE2 3.78Å; H23-Q2254 PolarHBondContact NE2-NE2 3.23Å |
| 24 | F | 50.9 | Low | 49.1 | Very low | 72 Ų | 72 | 35.9 Ų | 35.9 | 32% | 0.316 | 19% | 0.186 | S | C | . | . | trans | -62.4 | 75.3 | -172.8 | -56.8 | -89.3 | 0 | 0 | 0 | 113.3 | I965 S2314 Q2316 L2317 | F24-I965 HydrophobicContact CD1-CG2 4.35Å; F24-I965 HydrophobicContact CE1-CD1 4.33Å; F24-I965 HydrophobicContact CE1-CG2 4.32Å; F24-I965 HydrophobicContact CE2-CD1 4.32Å; F24-I965 HydrophobicContact CZ-CD1 3.86Å; F24-S2314 WeakPolarHBondContact CB-OG 3.46Å; F24-S2314 WeakPolarHBondContact O-CB 3.04Å; F24-S2314 PolarHBondContact O-OG 3.03Å; F24-Q2316 HydrophobicContact CD1-CB 3.73Å; F24-Q2316 HydrophobicContact CD1-CG 4.24Å; F24-Q2316 HydrophobicContact CE1-CB 4Å; F24-Q2316 HydrophobicContact CE1-CG 4.1Å; F24-Q2316 HydrophobicContact CG-CB 4.16Å; F24-L2317 HydrophobicContact CD2-CB 4.29Å | ||
| 25 | L | 46.5 | Very low | 50.8 | Low | 42 Ų | 42 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 135.8 | 173.4 | -80 | 160.5 | 0 | 0 | 0 | 110.4 | L16 V19 H23 | L16-L25 HydrophobicContact CD2-CD2 4.08Å; V19-L25 HydrophobicContact CG1-CD1 4.31Å; V19-L25 HydrophobicContact CG1-CD2 4.41Å; H23-L25 VanDerWaalsContact C-N 3.27Å; H23-L25 PolarHBondContact O-N 3.17Å |
| 26 | P | 52.5 | Low | 52.6 | Low | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 136.6 | 178.9 | 28.8 | -31.9 | 0 | 0 | 0 | 109.1 | Q30 L31 F54 S2313 | P26-Q30 HydrophobicContact CB-CB 4.36Å; P26-L31 HydrophobicContact CG-CD1 4.28Å; P26-L31 HydrophobicContact CG-CD2 3.75Å; P26-L31 HydrophobicContact CG-CG 4.05Å; P26-F54 HydrophobicContact CB-CE2 4.08Å; P26-F54 HydrophobicContact CB-CZ 3.89Å; P26-S2313 VanDerWaalsContact CD-O 3.29Å; P26-S2313 WeakPolarHBondContact CD-O 3.47Å; P26-S2313 WeakPolarHBondContact CG-O 3.31Å |
| 27 | P | 55.7 | Low | 54.4 | Low | 41 Ų | 41 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -51.2 | 142.3 | 174.8 | -30.2 | 35.8 | 0 | 0 | 0 | 111.6 | Y29 Q30 | P27-Y29 HydrophobicContact CB-CD1 3.62Å; P27-Y29 HydrophobicContact CB-CE1 3.36Å; P27-Y29 HydrophobicContact CG-CE1 4.03Å; P27-Y29 PolarHBondContact O-N 3.28Å; P27-Q30 HydrophobicContact CB-CG 4.43Å; P27-Q30 WeakPolarHBondContact O-CB 3.44Å; P27-Q30 PolarHBondContact O-N 3.46Å |
| 28 | P | 54.1 | Low | 56.4 | Low | 87 Ų | 87 | 32 Ų | 32 | 57% | 0.565 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -53.3 | -34.1 | -172.3 | -29.6 | 35.4 | 0 | 0 | 0 | 114.4 | Q30 L31 D32 | P28-Q30 VanDerWaalsContact C-N 3.26Å; P28-Q30 PolarHBondContact O-N 2.83Å; P28-L31 WeakPolarHBondContact O-CB 3.49Å; P28-L31 PolarHBondContact O-N 2.8Å; P28-L31 VanDerWaalsContact O-N 3.13Å; P28-D32 PolarHBondContact O-N 3.26Å |
| 29 | Y | 63.6 | Low | 58.2 | Low | 36 Ų | 36 | 32.8 Ų | 32.8 | 14% | 0.141 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -25.3 | 177.9 | 79 | -101.3 | 0 | 0 | 0 | 113.9 | P27 L33 A245 T250 | P27-Y29 HydrophobicContact CB-CD1 3.62Å; P27-Y29 HydrophobicContact CB-CE1 3.36Å; P27-Y29 HydrophobicContact CG-CE1 4.03Å; P27-Y29 PolarHBondContact O-N 3.28Å; Y29-L33 HydrophobicContact CD2-CD1 4.33Å; Y29-L33 WeakPolarHBondContact O-CB 3.33Å; Y29-L33 WeakPolarHBondContact O-CG 3.3Å; Y29-L33 PolarHBondContact O-N 3.07Å; Y29-A245 HydrophobicContact CD2-CB 3.51Å; Y29-A245 HydrophobicContact CE2-CB 4.39Å; Y29-A245 HydrophobicContact CG-CB 3.98Å; Y29-T250 HydrophobicContact CD1-CG2 4.27Å |
| 30 | Q | 66 | Low | 60.2 | Low | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.5 | -34.2 | 174.7 | -64.9 | -168.9 | -17.5 | 0 | 0 | 110.7 | P26 P27 P28 L34 N51 F54 F55 | P26-Q30 HydrophobicContact CB-CB 4.36Å; P27-Q30 HydrophobicContact CB-CG 4.43Å; P27-Q30 WeakPolarHBondContact O-CB 3.44Å; P27-Q30 PolarHBondContact O-N 3.46Å; P28-Q30 VanDerWaalsContact C-N 3.26Å; P28-Q30 PolarHBondContact O-N 2.83Å; Q30-L34 VanDerWaalsContact O-CB 3.27Å; Q30-L34 WeakPolarHBondContact O-CB 3.14Å; Q30-L34 PolarHBondContact O-N 2.78Å; Q30-N51 PolarHBondContact NE2-OD1 3.49Å; Q30-F54 HydrophobicContact CB-CE1 3.9Å; Q30-F54 HydrophobicContact CB-CZ 4.28Å; Q30-F55 HydrophobicContact CB-CE1 4.36Å; Q30-F55 HydrophobicContact CB-CZ 4.27Å; Q30-F55 HydrophobicContact CG-CZ 4.26Å; Q30-F55 WeakPolarHBondContact O-CE1 3.37Å |
| 31 | L | 66.3 | Low | 62.4 | Low | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.131 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 172.4 | -59.1 | 174.5 | 0 | 0 | 0 | 110.6 | P26 P28 L33 L34 D35 H2227 | P26-L31 HydrophobicContact CG-CD1 4.28Å; P26-L31 HydrophobicContact CG-CD2 3.75Å; P26-L31 HydrophobicContact CG-CG 4.05Å; P28-L31 WeakPolarHBondContact O-CB 3.49Å; P28-L31 PolarHBondContact O-N 2.8Å; P28-L31 VanDerWaalsContact O-N 3.13Å; L31-L33 VanDerWaalsContact C-N 3.27Å; L31-L33 PolarHBondContact O-N 2.78Å; L31-L34 PolarHBondContact O-N 3.37Å; L31-L34 VanDerWaalsContact O-N 3.14Å; L31-D35 PolarHBondContact O-N 2.71Å; L31-H2227 HydrophobicContact CD2-CB 4.33Å |
| 32 | D | 63.7 | Low | 64.5 | Low | 69 Ų | 69 | 35.6 Ų | 35.6 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.8 | -35.9 | 175.1 | -65.4 | -33.6 | 0 | 0 | 0 | 112.6 | P28 A36 | P28-D32 PolarHBondContact O-N 3.26Å; D32-A36 WeakPolarHBondContact O-CB 3.21Å; D32-A36 PolarHBondContact O-N 3.17Å; D32-A36 VanDerWaalsContact O-N 3.16Å |
| 33 | L | 72.1 | Confident | 66.9 | Low | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.8 | -39 | 174.4 | -81.8 | -177.5 | 0 | 0 | 0 | 113 | Y29 L31 A36 A37 I44 F55 E243 A245 | Y29-L33 HydrophobicContact CD2-CD1 4.33Å; Y29-L33 WeakPolarHBondContact O-CB 3.33Å; Y29-L33 WeakPolarHBondContact O-CG 3.3Å; Y29-L33 PolarHBondContact O-N 3.07Å; L31-L33 VanDerWaalsContact C-N 3.27Å; L31-L33 PolarHBondContact O-N 2.78Å; L33-A36 WeakPolarHBondContact O-CB 3.39Å; L33-A36 PolarHBondContact O-N 3.49Å; L33-A37 PolarHBondContact O-N 2.84Å; L33-I44 HydrophobicContact CB-CD1 4.39Å; L33-I44 HydrophobicContact CD1-CG2 3.97Å; L33-I44 HydrophobicContact CD2-CG1 4.4Å; L33-F55 HydrophobicContact CB-CE1 3.59Å; L33-F55 HydrophobicContact CB-CZ 3.85Å; L33-F55 HydrophobicContact CD1-CE1 4.24Å; L33-F55 HydrophobicContact CD1-CE2 4.29Å; L33-F55 HydrophobicContact CD1-CZ 3.6Å; L33-F55 HydrophobicContact CG-CZ 4.41Å; L33-E243 HydrophobicContact CD2-CB 3.55Å; L33-A245 HydrophobicContact CD1-CB 3.86Å; L33-A245 HydrophobicContact CD2-CB 4.45Å; L33-A245 HydrophobicContact CG-CB 4.05Å |
| 34 | L | 73.1 | Confident | 68.7 | Low | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 177.4 | -175.9 | 62.1 | 0 | 0 | 0 | 110.4 | Q30 L31 A36 A37 Y38 F55 N58 L59 E62 | Q30-L34 VanDerWaalsContact O-CB 3.27Å; Q30-L34 WeakPolarHBondContact O-CB 3.14Å; Q30-L34 PolarHBondContact O-N 2.78Å; L31-L34 PolarHBondContact O-N 3.37Å; L31-L34 VanDerWaalsContact O-N 3.14Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.4Å; L34-A37 PolarHBondContact O-N 3.32Å; L34-Y38 WeakPolarHBondContact O-CB 3.36Å; L34-Y38 PolarHBondContact O-N 2.83Å; L34-F55 HydrophobicContact CB-CD1 4.44Å; L34-N58 HydrophobicContact CD1-CB 3.97Å; L34-N58 HydrophobicContact CD2-CB 3.8Å; L34-L59 HydrophobicContact CD1-CB 4.28Å; L34-L59 HydrophobicContact CD1-CD1 4.18Å; L34-E62 WeakPolarHBondContact CD2-OE1 3.36Å |
| 35 | D | 68.5 | Low | 69.7 | Low | 30 Ų | 30 | 28.8 Ų | 28.8 | 16% | 0.16 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -36.3 | 170.5 | -86.1 | -6.2 | 0 | 0 | 0 | 112.1 | L31 E39 | L31-D35 PolarHBondContact O-N 2.71Å; D35-E39 PolarHBondContact O-N 2.98Å; D35-E39 VanDerWaalsContact O-N 3.09Å |
| 36 | A | 73 | Confident | 70.8 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D32 L33 L34 E39 R40 T42 E243 | D32-A36 WeakPolarHBondContact O-CB 3.21Å; D32-A36 PolarHBondContact O-N 3.17Å; D32-A36 VanDerWaalsContact O-N 3.16Å; L33-A36 WeakPolarHBondContact O-CB 3.39Å; L33-A36 PolarHBondContact O-N 3.49Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.4Å; A36-E39 PolarHBondContact O-N 2.9Å; A36-R40 WeakPolarHBondContact O-CG 3.25Å; A36-R40 PolarHBondContact O-N 3.48Å; A36-T42 PolarHBondContact O-OG1 3.13Å; A36-E243 HydrophobicContact CB-CG 4.47Å |
| 37 | A | 77.2 | Confident | 71.3 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L33 L34 E39 L59 R208 L210 | L33-A37 PolarHBondContact O-N 2.84Å; L34-A37 PolarHBondContact O-N 3.32Å; A37-E39 PolarHBondContact O-N 3.34Å; A37-L59 HydrophobicContact CB-CD1 4.05Å; A37-L59 HydrophobicContact CB-CD2 4.24Å; A37-R208 PolarHBondContact O-NH1 2.98Å; A37-L210 HydrophobicContact CB-CD1 4.05Å |
| 38 | Y | 76 | Confident | 71.8 | Confident | 33 Ų | 33 | 28.9 Ų | 28.9 | 13% | 0.129 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -18.2 | 175.2 | -179.3 | -94.6 | 0 | 0 | 0 | 112.8 | K8 L34 E62 M63 D66 R208 | K8-Y38 HydrophobicContact CD-CE1 4.44Å; K8-Y38 VanDerWaalsContact NZ-CZ 3.34Å; K8-Y38 PolarHBondContact NZ-OH 3.38Å; L34-Y38 WeakPolarHBondContact O-CB 3.36Å; L34-Y38 PolarHBondContact O-N 2.83Å; Y38-E62 HydrophobicContact CD2-CB 3.93Å; Y38-E62 VanDerWaalsContact CD2-OE2 3.28Å; Y38-E62 WeakPolarHBondContact CD2-OE2 3.34Å; Y38-E62 HydrophobicContact CE2-CB 4.16Å; Y38-M63 HydrophobicContact CD2-CE 4.12Å; Y38-M63 HydrophobicContact CD2-CG 4.16Å; Y38-M63 HydrophobicContact CE2-CG 4.29Å; Y38-D66 VanDerWaalsContact CE2-OD2 3.3Å; Y38-D66 WeakPolarHBondContact CE2-OD2 3.44Å; Y38-D66 PolarHBondContact OH-OD2 3.23Å; Y38-R208 PolarHBondContact O-NH1 3.41Å; Y38-R208 PolarHBondContact O-NH2 3.37Å |
| 39 | E | 74.5 | Confident | 72.5 | Confident | 78 Ų | 78 | 28 Ų | 28 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -106.6 | -21.4 | 174.4 | -84.5 | -174.6 | -111.4 | 0 | 0 | 117.2 | R5 D35 A36 A37 | R5-E39 WeakPolarHBondContact CG-OE1 3.44Å; R5-E39 IonicContact CZ-OE1 3.41Å; R5-E39 IonicContact CZ-OE2 3.89Å; R5-E39 IonicContact NE-OE1 2.87Å; R5-E39 PolarHBondContact NE-OE1 3.45Å; R5-E39 VanDerWaalsContact NE-OE1 3.16Å; R5-E39 IonicContact NE-OE2 3.58Å; R5-E39 IonicContact NH1-OE1 2.7Å; R5-E39 PolarHBondContact NH1-OE1 2.78Å; R5-E39 IonicContact NH1-OE2 3.91Å; R5-E39 PolarHBondContact NH1-OE2 3.15Å; R5-E39 IonicContact NH2-OE1 3.09Å; R5-E39 PolarHBondContact NH2-OE1 3.24Å; R5-E39 IonicContact NH2-OE2 3.2Å; R5-E39 PolarHBondContact NH2-OE2 3.2Å; D35-E39 PolarHBondContact O-N 2.98Å; D35-E39 VanDerWaalsContact O-N 3.09Å; A36-E39 PolarHBondContact O-N 2.9Å; A37-E39 PolarHBondContact O-N 3.34Å |
| 40 | R | 78.5 | Confident | 72.7 | Confident | 50 Ų | 50 | 28.2 Ų | 28.2 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -160.5 | 163.8 | 179.5 | 60.5 | 166.8 | -159.1 | -136.5 | -6.8 | 113.3 | A36 T42 E243 | A36-R40 WeakPolarHBondContact O-CG 3.25Å; A36-R40 PolarHBondContact O-N 3.48Å; R40-T42 PolarHBondContact O-N 3.34Å; R40-T42 PolarHBondContact O-OG1 3.01Å; R40-E243 IonicContact CZ-OE1 2.75Å; R40-E243 IonicContact NH1-OE1 2.81Å; R40-E243 VanDerWaalsContact NH2-CD 3.31Å; R40-E243 IonicContact NH2-OE1 2.83Å; R40-E243 PolarHBondContact NH2-OE1 3.34Å |
| 41 | N | 84.6 | Confident | 72.9 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | trans | -58.6 | 123.4 | 171 | -65.5 | 0.8 | 0 | 0 | 0 | 110.7 | I209 C240 R241 | N41-I209 VanDerWaalsContact CA-O 3.26Å; N41-I209 WeakPolarHBondContact CA-O 3.25Å; N41-I209 HydrophobicContact CB-CB 4.31Å; N41-I209 PolarHBondContact OD1-N 2.97Å; N41-C240 HydrophobicContact CB-CB 4.41Å; N41-R241 PolarHBondContact O-N 3.15Å; N41-R241 VanDerWaalsContact O-N 3.07Å | ||
| 42 | T | 83.1 | Confident | 73.5 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.1 | -164.6 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | A36 R40 I44 I209 C211 R241 E243 | A36-T42 PolarHBondContact O-OG1 3.13Å; R40-T42 PolarHBondContact O-N 3.34Å; R40-T42 PolarHBondContact O-OG1 3.01Å; T42-I44 HydrophobicContact CG2-CG1 4.2Å; T42-I209 PolarHBondContact N-O 2.82Å; T42-C211 PolarHBondContact O-N 3.46Å; T42-R241 WeakPolarHBondContact CA-O 3.44Å; T42-E243 HydrophobicContact CG2-CB 4.4Å; T42-E243 HydrophobicContact CG2-CG 4.44Å |
| 43 | I | 83.7 | Confident | 74.2 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.8 | 168 | -51.9 | 168.4 | 0 | 0 | 0 | 108 | C211 T213 L234 E235 C240 R241 L242 E243 | I43-C211 CarbonylContact C-O 3.39Å; I43-C211 WeakPolarHBondContact CA-O 3.14Å; I43-C211 HydrophobicContact CB-CB 4.39Å; I43-C211 HydrophobicContact CG1-CB 4.03Å; I43-C211 HydrophobicContact CG2-CB 4.38Å; I43-T213 HydrophobicContact CG2-CG2 3.82Å; I43-L234 HydrophobicContact CD1-CD2 4.12Å; I43-L234 HydrophobicContact CD1-CG 3.96Å; I43-E235 HydrophobicContact CD1-CG 4.46Å; I43-C240 HydrophobicContact CD1-CB 4.25Å; I43-C240 HydrophobicContact CG1-CB 3.54Å; I43-R241 PolarHBondContact N-O 3.31Å; I43-L242 HydrophobicContact CB-CD1 4.02Å; I43-L242 HydrophobicContact CG2-CD1 3.98Å; I43-E243 PolarHBondContact O-N 3.38Å; I43-E243 VanDerWaalsContact O-N 3.16Å |
| 44 | I | 78.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.3 | 173.2 | -62 | -176.6 | 0 | 0 | 0 | 109 | L33 T42 S46 F55 L210 C211 F212 T213 | L33-I44 HydrophobicContact CB-CD1 4.39Å; L33-I44 HydrophobicContact CD1-CG2 3.97Å; L33-I44 HydrophobicContact CD2-CG1 4.4Å; T42-I44 HydrophobicContact CG2-CG1 4.2Å; I44-S46 PolarHBondContact O-N 2.99Å; I44-F55 HydrophobicContact CD1-CB 4.4Å; I44-F55 HydrophobicContact CD1-CD1 3.9Å; I44-F55 HydrophobicContact CD1-CD2 3.89Å; I44-F55 HydrophobicContact CD1-CE1 4.13Å; I44-F55 HydrophobicContact CD1-CE2 4.14Å; I44-F55 HydrophobicContact CD1-CG 3.8Å; I44-F55 HydrophobicContact CD1-CZ 4.26Å; I44-F55 HydrophobicContact CG2-CD2 4.18Å; I44-F55 HydrophobicContact CG2-CE2 3.86Å; I44-F55 HydrophobicContact CG2-CZ 4.46Å; I44-L210 HydrophobicContact CD1-CD1 3.94Å; I44-L210 HydrophobicContact CG1-CD1 4.25Å; I44-C211 PolarHBondContact N-O 3.45Å; I44-F212 HydrophobicContact CB-CD1 3.93Å; I44-F212 HydrophobicContact CB-CE1 4.04Å; I44-F212 HydrophobicContact CD1-CE1 4.25Å; I44-F212 HydrophobicContact CG2-CD1 4.23Å; I44-F212 HydrophobicContact CG2-CE1 4.25Å; I44-F212 WeakPolarHBondContact O-CA 3.25Å; I44-T213 PolarHBondContact O-N 3.42Å; I44-T213 VanDerWaalsContact O-N 3.14Å |
| 45 | C | 72.8 | Confident | 74.9 | Confident | 35 Ų | 35 | 24.6 Ų | 24.6 | 24% | 0.236 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 108.2 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | T213 L216 T244 | C45-T213 CarbonylContact C-O 3.47Å; C45-T213 WeakPolarHBondContact CA-O 3.44Å; C45-T213 HydrophobicContact CB-CG2 4.29Å; C45-L216 HydrophobicContact CB-CD1 3.77Å; C45-L216 HydrophobicContact CB-CG 4.07Å; C45-T244 HydrophobicContact CB-CG2 4.44Å |
| 46 | S | 69.3 | Low | 75.6 | Confident | 15 Ų | 15 | 23.2 Ų | 23.2 | 11% | 0.105 | 12% | 0.122 | C | C | . | . | trans | -149.4 | 119.7 | 173.4 | -179 | 0 | 0 | 0 | 0 | 110.2 | I44 N48 N51 K52 T213 | I44-S46 PolarHBondContact O-N 2.99Å; S46-N48 VanDerWaalsContact C-N 3.32Å; S46-N48 PolarHBondContact OG-N 2.88Å; S46-N48 PolarHBondContact OG-O 2.94Å; S46-N48 VanDerWaalsContact OG-O 3.05Å; S46-N51 WeakPolarHBondContact OG-CB 3.45Å; S46-K52 WeakPolarHBondContact O-CE 3.48Å; S46-T213 CarbonylContact C-O 3.57Å; S46-T213 PolarHBondContact N-O 3.48Å | ||
| 47 | S | 61.8 | Low | 76 | Confident | 60 Ų | 60 | 23 Ų | 23 | 42% | 0.42 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -79.1 | -13.9 | 170.2 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | T793 | S47-T793 WeakPolarHBondContact OG-CB 3.24Å; S47-T793 WeakPolarHBondContact OG-CG2 3.34Å |
| 48 | N | 67 | Low | 75.9 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | trans | -95.3 | 123.9 | -179.2 | -178 | -15.4 | 0 | 0 | 0 | 111.3 | S46 L50 N51 K52 T793 S794 | S46-N48 VanDerWaalsContact C-N 3.32Å; S46-N48 PolarHBondContact OG-N 2.88Å; S46-N48 PolarHBondContact OG-O 2.94Å; S46-N48 VanDerWaalsContact OG-O 3.05Å; N48-L50 WeakPolarHBondContact OD1-CB 3.45Å; N48-L50 PolarHBondContact OD1-N 2.96Å; N48-N51 HydrophobicContact CB-CB 4.35Å; N48-N51 PolarHBondContact O-N 3.49Å; N48-K52 PolarHBondContact O-N 3.36Å; N48-K52 VanDerWaalsContact O-N 3.15Å; N48-T793 WeakPolarHBondContact CB-O 3.34Å; N48-T793 PolarHBondContact ND2-O 3.39Å; N48-S794 VanDerWaalsContact ND2-C 3.27Å; N48-S794 WeakPolarHBondContact ND2-CA 3.42Å; N48-S794 PolarHBondContact ND2-O 3.47Å | ||
| 49 | E | 68.4 | Low | 76.1 | Confident | 69 Ų | 69 | 21.4 Ų | 21.4 | 32% | 0.322 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -70.1 | -32.8 | -177.3 | -56.1 | -167.8 | 150.8 | 0 | 0 | 112.6 | N51 K52 M53 K80 | E49-N51 VanDerWaalsContact C-N 3.29Å; E49-N51 PolarHBondContact O-N 3.5Å; E49-K52 WeakPolarHBondContact O-CB 3.38Å; E49-K52 PolarHBondContact O-N 3.05Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-M53 VanDerWaalsContact O-CG 3.32Å; E49-M53 WeakPolarHBondContact O-CG 3.15Å; E49-M53 PolarHBondContact O-N 2.9Å; E49-K80 WeakPolarHBondContact OE1-CD 3.18Å; E49-K80 VanDerWaalsContact OE1-CE 3.24Å; E49-K80 WeakPolarHBondContact OE1-CE 3.33Å; E49-K80 IonicContact OE1-NZ 3.07Å; E49-K80 PolarHBondContact OE1-NZ 3.31Å |
| 50 | L | 68.2 | Low | 76.4 | Confident | 39 Ų | 39 | 17.9 Ų | 17.9 | 20% | 0.204 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 174 | -62.3 | 178 | 0 | 0 | 0 | 111.5 | N48 F54 F87 H2319 | N48-L50 WeakPolarHBondContact OD1-CB 3.45Å; N48-L50 PolarHBondContact OD1-N 2.96Å; L50-F54 WeakPolarHBondContact O-CB 3.33Å; L50-F54 PolarHBondContact O-N 3.24Å; L50-F87 HydrophobicContact CD2-CE2 4.43Å; L50-H2319 HydrophobicContact CD1-CB 4Å; L50-H2319 HydrophobicContact CD2-CB 3.97Å |
| 51 | N | 71.1 | Confident | 76.1 | Confident | 18 Ų | 18 | 16.5 Ų | 16.5 | 10% | 0.096 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 173.6 | -75.1 | -25.6 | 0 | 0 | 0 | 111.7 | Q30 S46 N48 E49 M53 F54 F55 | Q30-N51 PolarHBondContact NE2-OD1 3.49Å; S46-N51 WeakPolarHBondContact OG-CB 3.45Å; N48-N51 HydrophobicContact CB-CB 4.35Å; N48-N51 PolarHBondContact O-N 3.49Å; E49-N51 VanDerWaalsContact C-N 3.29Å; E49-N51 PolarHBondContact O-N 3.5Å; N51-M53 PolarHBondContact O-N 3.12Å; N51-F54 PolarHBondContact O-N 3.46Å; N51-F55 WeakPolarHBondContact O-CD2 3.38Å; N51-F55 PolarHBondContact O-N 3.04Å |
| 52 | K | 78.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.5 | -49.7 | 173.5 | -63.5 | 179.1 | -175 | 179.6 | 0 | 110.6 | S46 N48 E49 F54 F55 V56 D158 E159 F212 | S46-K52 WeakPolarHBondContact O-CE 3.48Å; N48-K52 PolarHBondContact O-N 3.36Å; N48-K52 VanDerWaalsContact O-N 3.15Å; E49-K52 WeakPolarHBondContact O-CB 3.38Å; E49-K52 PolarHBondContact O-N 3.05Å; E49-K52 VanDerWaalsContact O-N 3.14Å; K52-F54 PolarHBondContact O-N 3.49Å; K52-F55 PolarHBondContact O-N 2.94Å; K52-V56 WeakPolarHBondContact O-CG2 3.47Å; K52-V56 PolarHBondContact O-N 3.4Å; K52-D158 VanDerWaalsContact CE-OD1 3.32Å; K52-D158 WeakPolarHBondContact CE-OD1 3.33Å; K52-D158 VanDerWaalsContact NZ-CG 3.25Å; K52-D158 IonicContact NZ-OD1 2.79Å; K52-D158 PolarHBondContact NZ-OD1 2.91Å; K52-D158 IonicContact NZ-OD2 2.64Å; K52-D158 PolarHBondContact NZ-OD2 3.27Å; K52-E159 IonicContact NZ-OE1 3.38Å; K52-E159 PolarHBondContact NZ-OE1 2.99Å; K52-F212 HydrophobicContact CB-CD1 4.19Å; K52-F212 HydrophobicContact CB-CD2 4.21Å; K52-F212 HydrophobicContact CB-CE1 4.15Å; K52-F212 HydrophobicContact CB-CE2 4.16Å; K52-F212 HydrophobicContact CB-CG 4.22Å; K52-F212 HydrophobicContact CB-CZ 4.12Å; K52-F212 HydrophobicContact CD-CB 4.02Å; K52-F212 HydrophobicContact CD-CD2 4.44Å; K52-F212 HydrophobicContact CD-CG 4.1Å; K52-F212 HydrophobicContact CG-CB 4.19Å; K52-F212 HydrophobicContact CG-CD1 3.82Å; K52-F212 HydrophobicContact CG-CD2 4.28Å; K52-F212 HydrophobicContact CG-CE1 4.24Å; K52-F212 HydrophobicContact CG-CG 3.84Å; K52-F212 WeakPolarHBondContact O-CZ 3.49Å |
| 53 | M | 78.4 | Confident | 74.8 | Confident | 12 Ų | 12 | 15.3 Ų | 15.3 | 6% | 0.059 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 179.2 | -65.5 | -59.8 | 125.4 | 0 | 0 | 112.9 | E49 N51 F55 V56 V57 Y74 I84 F87 | E49-M53 VanDerWaalsContact O-CG 3.32Å; E49-M53 WeakPolarHBondContact O-CG 3.15Å; E49-M53 PolarHBondContact O-N 2.9Å; N51-M53 PolarHBondContact O-N 3.12Å; M53-F55 VanDerWaalsContact C-N 3.33Å; M53-F55 PolarHBondContact O-N 3.01Å; M53-V56 PolarHBondContact O-N 3.47Å; M53-V57 WeakPolarHBondContact O-CB 3.16Å; M53-V57 WeakPolarHBondContact O-CG2 3.14Å; M53-V57 PolarHBondContact O-N 2.98Å; M53-Y74 HydrophobicContact CE-CE2 4.16Å; M53-Y74 WeakPolarHBondContact CE-OH 3.26Å; M53-I84 HydrophobicContact CE-CB 4.37Å; M53-I84 HydrophobicContact CE-CD1 3.88Å; M53-I84 HydrophobicContact CE-CG1 3.67Å; M53-I84 HydrophobicContact CE-CG2 3.95Å; M53-I84 HydrophobicContact SD-CB 4.49Å; M53-I84 HydrophobicContact SD-CG1 4.3Å; M53-I84 HydrophobicContact SD-CG2 3.95Å; M53-F87 HydrophobicContact CB-CD1 3.7Å; M53-F87 HydrophobicContact CB-CE1 3.41Å; M53-F87 VanDerWaalsContact CB-CE1 3.41Å; M53-F87 HydrophobicContact CB-CZ 4.03Å; M53-F87 HydrophobicContact CG-CD1 3.93Å; M53-F87 HydrophobicContact CG-CE1 4.14Å; M53-F87 HydrophobicContact CG-CG 4.4Å; M53-F87 HydrophobicContact SD-CD1 4.3Å |
| 54 | F | 78.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.9 | -46.9 | 173.1 | 162.8 | -85.9 | 0 | 0 | 0 | 111.7 | P26 Q30 L50 N51 K52 N58 P2315 | P26-F54 HydrophobicContact CB-CE2 4.08Å; P26-F54 HydrophobicContact CB-CZ 3.89Å; Q30-F54 HydrophobicContact CB-CE1 3.9Å; Q30-F54 HydrophobicContact CB-CZ 4.28Å; L50-F54 WeakPolarHBondContact O-CB 3.33Å; L50-F54 PolarHBondContact O-N 3.24Å; N51-F54 PolarHBondContact O-N 3.46Å; K52-F54 PolarHBondContact O-N 3.49Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.34Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.25Å; F54-N58 PolarHBondContact O-N 3.22Å; F54-N58 PolarHBondContact O-ND2 3.3Å; F54-P2315 HydrophobicContact CB-CB 4.22Å |
| 55 | F | 80.2 | Confident | 73.4 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.9 | -71.3 | -64 | 0 | 0 | 0 | 111.4 | Q30 L33 L34 I44 N51 K52 M53 L59 F212 | Q30-F55 HydrophobicContact CB-CE1 4.36Å; Q30-F55 HydrophobicContact CB-CZ 4.27Å; Q30-F55 HydrophobicContact CG-CZ 4.26Å; Q30-F55 WeakPolarHBondContact O-CE1 3.37Å; L33-F55 HydrophobicContact CB-CE1 3.59Å; L33-F55 HydrophobicContact CB-CZ 3.85Å; L33-F55 HydrophobicContact CD1-CE1 4.24Å; L33-F55 HydrophobicContact CD1-CE2 4.29Å; L33-F55 HydrophobicContact CD1-CZ 3.6Å; L33-F55 HydrophobicContact CG-CZ 4.41Å; L34-F55 HydrophobicContact CB-CD1 4.44Å; I44-F55 HydrophobicContact CD1-CB 4.4Å; I44-F55 HydrophobicContact CD1-CD1 3.9Å; I44-F55 HydrophobicContact CD1-CD2 3.89Å; I44-F55 HydrophobicContact CD1-CE1 4.13Å; I44-F55 HydrophobicContact CD1-CE2 4.14Å; I44-F55 HydrophobicContact CD1-CG 3.8Å; I44-F55 HydrophobicContact CD1-CZ 4.26Å; I44-F55 HydrophobicContact CG2-CD2 4.18Å; I44-F55 HydrophobicContact CG2-CE2 3.86Å; I44-F55 HydrophobicContact CG2-CZ 4.46Å; N51-F55 WeakPolarHBondContact O-CD2 3.38Å; N51-F55 PolarHBondContact O-N 3.04Å; K52-F55 PolarHBondContact O-N 2.94Å; M53-F55 VanDerWaalsContact C-N 3.33Å; M53-F55 PolarHBondContact O-N 3.01Å; F55-L59 WeakPolarHBondContact O-CB 3.06Å; F55-L59 PolarHBondContact O-N 3.39Å; F55-F212 HydrophobicContact CB-CE1 4.16Å; F55-F212 HydrophobicContact CB-CZ 3.96Å; F55-F212 HydrophobicContact CD2-CE1 4.01Å; F55-F212 HydrophobicContact CG-CE1 4.45Å |
| 56 | V | 83.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.5 | -50.3 | -179.1 | 175 | 0 | 0 | 0 | 0 | 111.8 | K52 M53 N58 L59 I60 Y74 L88 V156 L210 F212 | K52-V56 WeakPolarHBondContact O-CG2 3.47Å; K52-V56 PolarHBondContact O-N 3.4Å; M53-V56 PolarHBondContact O-N 3.47Å; V56-N58 PolarHBondContact O-N 3.33Å; V56-L59 PolarHBondContact O-N 2.59Å; V56-I60 HydrophobicContact CG1-CD1 3.59Å; V56-I60 HydrophobicContact CG1-CG1 4.32Å; V56-I60 WeakPolarHBondContact O-CB 3.46Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 2.69Å; V56-Y74 HydrophobicContact CG1-CD2 4.46Å; V56-Y74 HydrophobicContact CG1-CE2 4.26Å; V56-Y74 HydrophobicContact CG2-CE2 4.03Å; V56-L88 HydrophobicContact CG1-CD2 3.93Å; V56-V156 HydrophobicContact CG2-CG1 4.08Å; V56-V156 HydrophobicContact CG2-CG2 4.34Å; V56-L210 HydrophobicContact CG2-CD2 4.2Å; V56-F212 HydrophobicContact CG2-CE2 3.6Å; V56-F212 HydrophobicContact CG2-CZ 3.84Å |
| 57 | V | 80.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | -178.8 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | M53 R61 F87 L88 H91 T92 | M53-V57 WeakPolarHBondContact O-CB 3.16Å; M53-V57 WeakPolarHBondContact O-CG2 3.14Å; M53-V57 PolarHBondContact O-N 2.98Å; V57-R61 WeakPolarHBondContact O-CG 3.38Å; V57-R61 PolarHBondContact O-N 3.48Å; V57-F87 HydrophobicContact CG2-CD1 4.25Å; V57-F87 HydrophobicContact CG2-CE1 3.93Å; V57-L88 HydrophobicContact CG2-CD2 3.79Å; V57-H91 HydrophobicContact CG1-CB 4.18Å; V57-H91 HydrophobicContact CG2-CB 4.44Å; V57-T92 HydrophobicContact CG1-CG2 4.18Å; V57-T92 HydrophobicContact CG2-CG2 4.4Å |
| 58 | N | 76.4 | Confident | 72.7 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.7 | -50.1 | 175.5 | -71.1 | -81.2 | 0 | 0 | 0 | 111 | L34 F54 V56 I60 R61 E62 S2313 | L34-N58 HydrophobicContact CD1-CB 3.97Å; L34-N58 HydrophobicContact CD2-CB 3.8Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.34Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.25Å; F54-N58 PolarHBondContact O-N 3.22Å; F54-N58 PolarHBondContact O-ND2 3.3Å; V56-N58 PolarHBondContact O-N 3.33Å; N58-I60 VanDerWaalsContact C-N 3.27Å; N58-I60 PolarHBondContact O-N 3.49Å; N58-R61 WeakPolarHBondContact O-CA 3.45Å; N58-R61 WeakPolarHBondContact O-CB 3.46Å; N58-R61 PolarHBondContact O-N 2.64Å; N58-E62 WeakPolarHBondContact O-CG 3.22Å; N58-E62 PolarHBondContact O-N 3.28Å; N58-S2313 WeakPolarHBondContact OD1-CB 3.12Å; N58-S2313 PolarHBondContact OD1-OG 3.48Å |
| 59 | L | 80.5 | Confident | 72.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -34.5 | -177.1 | -162.4 | 74.1 | 0 | 0 | 0 | 113 | L34 A37 F55 V56 E62 M63 L154 L210 | L34-L59 HydrophobicContact CD1-CB 4.28Å; L34-L59 HydrophobicContact CD1-CD1 4.18Å; A37-L59 HydrophobicContact CB-CD1 4.05Å; A37-L59 HydrophobicContact CB-CD2 4.24Å; F55-L59 WeakPolarHBondContact O-CB 3.06Å; F55-L59 PolarHBondContact O-N 3.39Å; V56-L59 PolarHBondContact O-N 2.59Å; L59-E62 PolarHBondContact O-N 3.23Å; L59-M63 HydrophobicContact CD1-CE 3.65Å; L59-M63 HydrophobicContact CD1-SD 4.32Å; L59-M63 HydrophobicContact CD2-CE 4.15Å; L59-M63 HydrophobicContact CD2-SD 4.25Å; L59-M63 HydrophobicContact CG-CE 3.9Å; L59-M63 HydrophobicContact CG-CG 4.38Å; L59-M63 HydrophobicContact CG-SD 3.94Å; L59-M63 WeakPolarHBondContact O-CB 3.48Å; L59-M63 WeakPolarHBondContact O-CG 3.36Å; L59-M63 PolarHBondContact O-N 3.33Å; L59-L154 HydrophobicContact CD2-CD1 3.9Å; L59-L154 HydrophobicContact CD2-CD2 4.09Å; L59-L210 HydrophobicContact CD2-CD2 4Å |
| 60 | I | 79.3 | Confident | 72.5 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 171.3 | -73.8 | 169 | 0 | 0 | 0 | 110.9 | V56 N58 E62 R64 I72 L88 L94 I124 L154 | V56-I60 HydrophobicContact CG1-CD1 3.59Å; V56-I60 HydrophobicContact CG1-CG1 4.32Å; V56-I60 WeakPolarHBondContact O-CB 3.46Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 2.69Å; N58-I60 VanDerWaalsContact C-N 3.27Å; N58-I60 PolarHBondContact O-N 3.49Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.93Å; I60-R64 VanDerWaalsContact O-CB 3.26Å; I60-R64 WeakPolarHBondContact O-CB 3.4Å; I60-R64 PolarHBondContact O-N 3.17Å; I60-I72 HydrophobicContact CB-CD1 4.45Å; I60-I72 HydrophobicContact CD1-CD1 3.89Å; I60-I72 HydrophobicContact CG1-CD1 3.74Å; I60-I72 HydrophobicContact CG1-CG1 4.28Å; I60-I72 HydrophobicContact CG2-CD1 3.95Å; I60-L88 HydrophobicContact CD1-CD2 4.41Å; I60-L94 HydrophobicContact CG2-CD1 3.67Å; I60-I124 HydrophobicContact CD1-CD1 4.29Å; I60-L154 HydrophobicContact CG1-CD2 4.24Å |
| 61 | R | 72.6 | Confident | 73.1 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -36.6 | 179 | -69.9 | 167.3 | 172.6 | -173.5 | -8.7 | 112.1 | V57 N58 H91 W2198 F2310 A2312 | V57-R61 WeakPolarHBondContact O-CG 3.38Å; V57-R61 PolarHBondContact O-N 3.48Å; N58-R61 WeakPolarHBondContact O-CA 3.45Å; N58-R61 WeakPolarHBondContact O-CB 3.46Å; N58-R61 PolarHBondContact O-N 2.64Å; R61-H91 PolarHBondContact NH2-O 3.12Å; R61-W2198 HydrophobicContact CB-CH2 4.03Å; R61-W2198 HydrophobicContact CB-CZ3 4.37Å; R61-W2198 HydrophobicContact CG-CH2 4.33Å; R61-W2198 HydrophobicContact CG-CZ3 4.17Å; R61-F2310 PolarHBondContact NH1-O 3.04Å; R61-F2310 PolarHBondContact NH2-O 3.3Å; R61-A2312 PolarHBondContact NH1-O 3.38Å |
| 62 | E | 68.8 | Low | 73.7 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.9 | -49 | 177.6 | -58.2 | -170.8 | -169.7 | 0 | 0 | 112.5 | L34 Y38 N58 L59 I60 Q2228 | L34-E62 WeakPolarHBondContact CD2-OE1 3.36Å; Y38-E62 HydrophobicContact CD2-CB 3.93Å; Y38-E62 VanDerWaalsContact CD2-OE2 3.28Å; Y38-E62 WeakPolarHBondContact CD2-OE2 3.34Å; Y38-E62 HydrophobicContact CE2-CB 4.16Å; N58-E62 WeakPolarHBondContact O-CG 3.22Å; N58-E62 PolarHBondContact O-N 3.28Å; L59-E62 PolarHBondContact O-N 3.23Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 2.93Å; E62-Q2228 PolarHBondContact OE1-NE2 3.01Å; E62-Q2228 PolarHBondContact OE2-NE2 3.44Å |
| 63 | M | 72.8 | Confident | 74 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -81.7 | -21.4 | -171.3 | -71.2 | -174 | 175.3 | 0 | 0 | 114.6 | Y38 L59 F65 D66 N67 Y153 R208 | Y38-M63 HydrophobicContact CD2-CE 4.12Å; Y38-M63 HydrophobicContact CD2-CG 4.16Å; Y38-M63 HydrophobicContact CE2-CG 4.29Å; L59-M63 HydrophobicContact CD1-CE 3.65Å; L59-M63 HydrophobicContact CD1-SD 4.32Å; L59-M63 HydrophobicContact CD2-CE 4.15Å; L59-M63 HydrophobicContact CD2-SD 4.25Å; L59-M63 HydrophobicContact CG-CE 3.9Å; L59-M63 HydrophobicContact CG-CG 4.38Å; L59-M63 HydrophobicContact CG-SD 3.94Å; L59-M63 WeakPolarHBondContact O-CB 3.48Å; L59-M63 WeakPolarHBondContact O-CG 3.36Å; L59-M63 PolarHBondContact O-N 3.33Å; M63-F65 PolarHBondContact O-N 2.79Å; M63-D66 PolarHBondContact O-N 3.04Å; M63-N67 PolarHBondContact O-N 3.32Å; M63-N67 VanDerWaalsContact O-N 3.12Å; M63-Y153 HydrophobicContact CB-CD2 3.84Å; M63-Y153 HydrophobicContact CB-CE2 3.37Å; M63-Y153 HydrophobicContact CG-CE2 4.39Å; M63-Y153 HydrophobicContact SD-CD2 4.29Å; M63-Y153 HydrophobicContact SD-CE2 4.25Å; M63-R208 HydrophobicContact CE-CB 4.45Å; M63-R208 HydrophobicContact CE-CG 3.81Å; M63-R208 HydrophobicContact SD-CB 4.29Å; M63-R208 HydrophobicContact SD-CG 3.84Å |
| 64 | R | 69.5 | Low | 74.5 | Confident | 57 Ų | 57 | 27.5 Ų | 27.5 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -26.8 | 174.1 | -162.4 | 178.9 | -160.4 | -114.5 | 7.5 | 111.8 | I60 N67 D123 V2197 | I60-R64 VanDerWaalsContact O-CB 3.26Å; I60-R64 WeakPolarHBondContact O-CB 3.4Å; I60-R64 PolarHBondContact O-N 3.17Å; R64-N67 CarbonylContact O-C 3.55Å; R64-D123 IonicContact CZ-OD1 2.84Å; R64-D123 IonicContact NH2-OD1 3.33Å; R64-D123 PolarHBondContact NH2-OD1 2.78Å; R64-V2197 PolarHBondContact NH1-O 2.67Å; R64-V2197 VanDerWaalsContact NH1-O 3.09Å |
| 65 | F | 62.6 | Low | 74.9 | Confident | 52 Ų | 52 | 27.8 Ų | 27.8 | 23% | 0.228 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 170.9 | -171.3 | -86.2 | 0 | 0 | 0 | 111.7 | M63 N67 E2193 V2197 L2232 | M63-F65 PolarHBondContact O-N 2.79Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 3.14Å; F65-E2193 HydrophobicContact CE2-CB 4.47Å; F65-V2197 HydrophobicContact CB-CG1 4.15Å; F65-V2197 HydrophobicContact CD2-CB 4.36Å; F65-V2197 HydrophobicContact CD2-CG1 4.14Å; F65-V2197 HydrophobicContact CD2-CG2 4.11Å; F65-L2232 HydrophobicContact CD1-CD2 4.19Å; F65-L2232 HydrophobicContact CE1-CD2 3.52Å; F65-L2232 HydrophobicContact CE2-CD1 4.01Å; F65-L2232 HydrophobicContact CE2-CD2 4.07Å; F65-L2232 HydrophobicContact CZ-CD1 3.94Å; F65-L2232 HydrophobicContact CZ-CD2 3.46Å; F65-L2232 VanDerWaalsContact CZ-CD2 3.46Å; F65-L2232 HydrophobicContact CZ-CG 4.36Å |
| 66 | D | 62 | Low | 75.2 | Confident | 82 Ų | 82 | 27.7 Ų | 27.7 | 44% | 0.439 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -71.8 | -16.7 | 179.4 | -68.2 | -39.9 | 0 | 0 | 0 | 113.8 | Y38 M63 | Y38-D66 VanDerWaalsContact CE2-OD2 3.3Å; Y38-D66 WeakPolarHBondContact CE2-OD2 3.44Å; Y38-D66 PolarHBondContact OH-OD2 3.23Å; M63-D66 PolarHBondContact O-N 3.04Å |
| 67 | N | 64.8 | Low | 75.1 | Confident | 51 Ų | 51 | 30.8 Ų | 30.8 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -143.8 | 67.9 | -171.8 | -66.9 | -99.5 | 0 | 0 | 0 | 113.1 | M63 R64 F65 Y153 | M63-N67 PolarHBondContact O-N 3.32Å; M63-N67 VanDerWaalsContact O-N 3.12Å; R64-N67 CarbonylContact O-C 3.55Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 3.14Å; N67-Y153 HydrophobicContact CB-CD1 4.47Å; N67-Y153 HydrophobicContact CB-CG 4.28Å |
| 68 | P | 62.5 | Low | 74.9 | Confident | 104 Ų | 104 | 33 Ų | 33 | 68% | 0.675 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 140.5 | 172.6 | 24.7 | -34 | 0 | 0 | 0 | 111.7 | K70 | P68-K70 PolarHBondContact O-N 3.36Š|
| 69 | G | 64.9 | Low | 74.9 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 88% | 0.876 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 3.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 70 | K | 67.2 | Low | 74.7 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | trans | -108.1 | 158.1 | 174.1 | -70.4 | -173.2 | 177.9 | -178.1 | 0 | 112.9 | P68 Y153 | P68-K70 PolarHBondContact O-N 3.36Å; K70-Y153 HydrophobicContact CB-CD1 3.71Å; K70-Y153 HydrophobicContact CB-CG 4.36Å; K70-Y153 WeakPolarHBondContact O-CD1 3.44Å; K70-Y153 WeakPolarHBondContact O-CE1 3.35Å | ||
| 71 | Q | 79.5 | Confident | 74.8 | Confident | 28 Ų | 28 | 40 Ų | 40 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 173.8 | -167.1 | -68.8 | 170.7 | -5.9 | 0 | 0 | 114.1 | V119 Y122 Y151 F152 Y153 | Q71-V119 PolarHBondContact NE2-O 3.09Å; Q71-V119 VanDerWaalsContact OE1-CG1 3.31Å; Q71-V119 PolarHBondContact OE1-O 2.97Å; Q71-Y122 VanDerWaalsContact CD-O 3.26Å; Q71-Y122 PolarHBondContact NE2-O 2.87Å; Q71-Y151 PolarHBondContact N-O 2.83Å; Q71-F152 HydrophobicContact CB-CD1 3.9Å; Q71-F152 HydrophobicContact CB-CE1 3.96Å; Q71-F152 VanDerWaalsContact O-CA 3.28Å; Q71-F152 WeakPolarHBondContact O-CA 3.43Å; Q71-Y153 WeakPolarHBondContact O-CD1 3.31Å; Q71-Y153 PolarHBondContact O-N 2.8Å |
| 72 | I | 83.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.8 | -178 | -56.6 | 135.1 | 0 | 0 | 0 | 110.1 | I60 D123 I124 I125 Y153 L154 | I60-I72 HydrophobicContact CB-CD1 4.45Å; I60-I72 HydrophobicContact CD1-CD1 3.89Å; I60-I72 HydrophobicContact CG1-CD1 3.74Å; I60-I72 HydrophobicContact CG1-CG1 4.28Å; I60-I72 HydrophobicContact CG2-CD1 3.95Å; I72-D123 PolarHBondContact N-O 2.9Å; I72-I124 HydrophobicContact CB-CG1 4.28Å; I72-I124 HydrophobicContact CD1-CD1 4.25Å; I72-I124 HydrophobicContact CD1-CG1 3.72Å; I72-I125 PolarHBondContact O-N 2.92Å; I72-Y153 HydrophobicContact CD1-CE1 4.32Å; I72-Y153 WeakPolarHBondContact CD1-OH 3.41Å; I72-Y153 HydrophobicContact CG1-CE1 3.79Å; I72-Y153 HydrophobicContact CG1-CE2 4.44Å; I72-Y153 WeakPolarHBondContact CG1-OH 3.46Å; I72-L154 HydrophobicContact CG1-CB 4.49Å; I72-L154 HydrophobicContact CG2-CD2 4.39Å; I72-L154 HydrophobicContact CG2-CG 4.49Å |
| 73 | I | 86.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.7 | 173.8 | -174.7 | 170.1 | 0 | 0 | 0 | 110 | F75 L127 F152 L154 V155 V156 | I73-F75 HydrophobicContact CD1-CE1 4.36Å; I73-F75 HydrophobicContact CD1-CE2 3.98Å; I73-F75 HydrophobicContact CD1-CZ 3.6Å; I73-F75 HydrophobicContact CG1-CE2 4.02Å; I73-F75 HydrophobicContact CG1-CZ 4.04Å; I73-L127 HydrophobicContact CD1-CD1 3.66Å; I73-L127 HydrophobicContact CG1-CD1 3.99Å; I73-F152 HydrophobicContact CB-CD1 3.67Å; I73-F152 HydrophobicContact CB-CE1 3.71Å; I73-F152 HydrophobicContact CB-CG 4.37Å; I73-F152 HydrophobicContact CB-CZ 4.43Å; I73-F152 HydrophobicContact CG2-CB 4.47Å; I73-F152 HydrophobicContact CG2-CD1 3.89Å; I73-F152 HydrophobicContact CG2-CE1 4.39Å; I73-F152 HydrophobicContact CG2-CG 4.16Å; I73-L154 PolarHBondContact N-O 3.29Å; I73-L154 VanDerWaalsContact N-O 3.1Å; I73-V155 HydrophobicContact CG2-CB 4.08Å; I73-V155 HydrophobicContact CG2-CG1 4.18Å; I73-V155 HydrophobicContact CG2-CG2 3.66Å; I73-V155 WeakPolarHBondContact O-CA 3.16Å; I73-V156 PolarHBondContact O-N 3.23Å |
| 74 | Y | 88.1 | Confident | 76 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119.8 | -175.3 | -165.8 | -49.5 | 0 | 0 | 0 | 110.1 | M53 V56 T76 I84 I125 L126 L127 V156 D158 | M53-Y74 HydrophobicContact CE-CE2 4.16Å; M53-Y74 WeakPolarHBondContact CE-OH 3.26Å; V56-Y74 HydrophobicContact CG1-CD2 4.46Å; V56-Y74 HydrophobicContact CG1-CE2 4.26Å; V56-Y74 HydrophobicContact CG2-CE2 4.03Å; Y74-T76 HydrophobicContact CD1-CG2 4.1Å; Y74-T76 HydrophobicContact CE1-CG2 4.37Å; Y74-I84 HydrophobicContact CE1-CD1 4.33Å; Y74-I84 HydrophobicContact CE2-CG2 4.34Å; Y74-I125 PolarHBondContact N-O 2.75Å; Y74-L126 HydrophobicContact CD1-CD2 3.96Å; Y74-L126 HydrophobicContact CD2-CD2 4.41Å; Y74-L126 HydrophobicContact CG-CD2 3.8Å; Y74-L126 WeakPolarHBondContact O-CA 3.28Å; Y74-L127 PolarHBondContact O-N 3.46Å; Y74-V156 WeakPolarHBondContact CA-O 3.43Å; Y74-V156 HydrophobicContact CD1-CB 4.48Å; Y74-V156 HydrophobicContact CD1-CG1 4.39Å; Y74-V156 HydrophobicContact CD2-CB 3.79Å; Y74-V156 HydrophobicContact CD2-CG1 3.81Å; Y74-V156 HydrophobicContact CD2-CG2 4.22Å; Y74-V156 HydrophobicContact CE1-CG1 4.16Å; Y74-V156 HydrophobicContact CE2-CB 4.14Å; Y74-V156 HydrophobicContact CE2-CG1 3.61Å; Y74-V156 HydrophobicContact CG-CB 3.96Å; Y74-V156 HydrophobicContact CG-CG1 4.18Å; Y74-D158 HydrophobicContact CE1-CB 4.28Å |
| 75 | F | 87.4 | Confident | 76.6 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.5 | 174.7 | -63.1 | -79.6 | 0 | 0 | 0 | 111.9 | I73 L127 I132 F144 V155 V156 V157 D158 | I73-F75 HydrophobicContact CD1-CE1 4.36Å; I73-F75 HydrophobicContact CD1-CE2 3.98Å; I73-F75 HydrophobicContact CD1-CZ 3.6Å; I73-F75 HydrophobicContact CG1-CE2 4.02Å; I73-F75 HydrophobicContact CG1-CZ 4.04Å; F75-L127 WeakPolarHBondContact CA-O 3.5Å; F75-L127 HydrophobicContact CD1-CB 4.01Å; F75-L127 HydrophobicContact CE1-CB 4.04Å; F75-L127 HydrophobicContact CE1-CD1 4.41Å; F75-I132 HydrophobicContact CD1-CD1 4.08Å; F75-I132 HydrophobicContact CE1-CD1 3.82Å; F75-I132 HydrophobicContact CE1-CG1 3.94Å; F75-I132 HydrophobicContact CZ-CD1 4.43Å; F75-F144 HydrophobicContact CZ-CZ 4.18Å; F75-V155 HydrophobicContact CD2-CG1 4.38Å; F75-V155 HydrophobicContact CE2-CG1 4.11Å; F75-V156 PolarHBondContact N-O 3.3Å; F75-V157 HydrophobicContact CD2-CG2 4.15Å; F75-D158 PolarHBondContact O-N 3.42Å; F75-D158 VanDerWaalsContact O-N 3.11Å |
| 76 | T | 85.7 | Confident | 77.4 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | trans | -158.1 | 156.6 | -175.5 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | Y74 M81 I84 L126 L127 S128 P129 | Y74-T76 HydrophobicContact CD1-CG2 4.1Å; Y74-T76 HydrophobicContact CE1-CG2 4.37Å; T76-M81 HydrophobicContact CG2-CE 4.45Å; T76-M81 HydrophobicContact CG2-CG 3.76Å; T76-I84 HydrophobicContact CG2-CD1 4.13Å; T76-I84 WeakPolarHBondContact OG1-CD1 3.32Å; T76-L126 HydrophobicContact CG2-CD2 3.82Å; T76-L127 PolarHBondContact N-O 3.14Å; T76-S128 WeakPolarHBondContact O-CA 3.46Å; T76-P129 WeakPolarHBondContact O-CD 3.03Å | ||
| 77 | D | 81.4 | Confident | 78.4 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | trans | -62.8 | 143.7 | 173.4 | -62.2 | -39.5 | 0 | 0 | 0 | 113.1 | T79 K80 M81 | D77-T79 PolarHBondContact O-N 3.05Å; D77-T79 VanDerWaalsContact O-N 3.07Å; D77-K80 PolarHBondContact O-N 3.24Å; D77-M81 PolarHBondContact O-N 3.23Å | ||
| 78 | D | 77.7 | Confident | 79.3 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25.2 | -179.7 | -63 | -97.5 | 0 | 0 | 0 | 114.5 | K100 Y101 S128 | D78-K100 WeakPolarHBondContact OD1-CA 3.26Å; D78-K100 VanDerWaalsContact OD1-CB 3.26Å; D78-K100 WeakPolarHBondContact OD1-CB 3.1Å; D78-Y101 PolarHBondContact OD1-N 2.98Å; D78-S128 VanDerWaalsContact OD2-CB 3.22Å; D78-S128 WeakPolarHBondContact OD2-CB 3.33Å; D78-S128 PolarHBondContact OD2-OG 3.4Å |
| 79 | T | 76.4 | Confident | 80.2 | Confident | 116 Ų | 116 | 34.2 Ų | 34.2 | 71% | 0.712 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27.9 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | D77 | D77-T79 PolarHBondContact O-N 3.05Å; D77-T79 VanDerWaalsContact O-N 3.07Å |
| 80 | K | 76.1 | Confident | 81 | Confident | 38 Ų | 38 | 30.4 Ų | 30.4 | 17% | 0.165 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -25.1 | -177.7 | -55 | -171.4 | -172.5 | -167.1 | 0 | 113.2 | E49 D77 N82 S83 I84 D158 | E49-K80 WeakPolarHBondContact OE1-CD 3.18Å; E49-K80 VanDerWaalsContact OE1-CE 3.24Å; E49-K80 WeakPolarHBondContact OE1-CE 3.33Å; E49-K80 IonicContact OE1-NZ 3.07Å; E49-K80 PolarHBondContact OE1-NZ 3.31Å; D77-K80 PolarHBondContact O-N 3.24Å; K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 3.42Å; K80-N82 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-N 3Å; K80-I84 HydrophobicContact CB-CD1 3.92Å; K80-I84 HydrophobicContact CB-CG1 4.48Å; K80-I84 PolarHBondContact O-N 2.69Å; K80-D158 IonicContact NZ-OD2 2.64Å; K80-D158 PolarHBondContact NZ-OD2 2.93Å |
| 81 | M | 81.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -44.2 | -52 | -172.9 | -71.8 | -176.3 | 117.7 | 0 | 0 | 113.5 | T76 D77 S83 I84 D85 F99 K100 L126 | T76-M81 HydrophobicContact CG2-CE 4.45Å; T76-M81 HydrophobicContact CG2-CG 3.76Å; D77-M81 PolarHBondContact O-N 3.23Å; M81-S83 VanDerWaalsContact C-N 3.29Å; M81-S83 PolarHBondContact O-N 2.83Å; M81-I84 PolarHBondContact O-N 3.26Å; M81-D85 WeakPolarHBondContact O-CB 2.92Å; M81-D85 PolarHBondContact O-N 2.83Å; M81-F99 WeakPolarHBondContact CE-O 2.84Å; M81-K100 HydrophobicContact SD-CG 3.57Å; M81-K100 VanDerWaalsContact SD-CG 3.57Å; M81-L126 HydrophobicContact CE-CB 3.7Å; M81-L126 WeakPolarHBondContact CE-O 3.37Å |
| 82 | N | 77.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 27 Ų | 27 | 40% | 0.401 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.1 | -34.5 | -178 | -73.6 | 41.9 | 0 | 0 | 0 | 113.8 | K80 N86 K100 | K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 3.42Å; K80-N82 VanDerWaalsContact O-N 3.15Å; N82-N86 WeakPolarHBondContact O-CB 3.37Å; N82-N86 PolarHBondContact O-N 2.69Å; N82-N86 PolarHBondContact O-ND2 3.32Å; N82-N86 VanDerWaalsContact O-ND2 3.11Å; N82-K100 WeakPolarHBondContact OD1-CE 3.35Å; N82-K100 PolarHBondContact OD1-NZ 3.12Å |
| 83 | S | 78.5 | Confident | 81 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.4 | -38.5 | -179.5 | -158.8 | 0 | 0 | 0 | 0 | 111 | K80 M81 F87 | K80-S83 PolarHBondContact O-N 3Å; M81-S83 VanDerWaalsContact C-N 3.29Å; M81-S83 PolarHBondContact O-N 2.83Å; S83-F87 WeakPolarHBondContact O-CB 3.32Å; S83-F87 PolarHBondContact O-N 3.31Å |
| 84 | I | 82.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | 176.9 | -60.9 | 174.6 | 0 | 0 | 0 | 110.8 | M53 Y74 T76 K80 M81 F87 L88 L126 | M53-I84 HydrophobicContact CE-CB 4.37Å; M53-I84 HydrophobicContact CE-CD1 3.88Å; M53-I84 HydrophobicContact CE-CG1 3.67Å; M53-I84 HydrophobicContact CE-CG2 3.95Å; M53-I84 HydrophobicContact SD-CB 4.49Å; M53-I84 HydrophobicContact SD-CG1 4.3Å; M53-I84 HydrophobicContact SD-CG2 3.95Å; Y74-I84 HydrophobicContact CE1-CD1 4.33Å; Y74-I84 HydrophobicContact CE2-CG2 4.34Å; T76-I84 HydrophobicContact CG2-CD1 4.13Å; T76-I84 WeakPolarHBondContact OG1-CD1 3.32Å; K80-I84 HydrophobicContact CB-CD1 3.92Å; K80-I84 HydrophobicContact CB-CG1 4.48Å; K80-I84 PolarHBondContact O-N 2.69Å; M81-I84 PolarHBondContact O-N 3.26Å; I84-F87 PolarHBondContact O-N 3.4Å; I84-L88 HydrophobicContact CG2-CD1 3.72Å; I84-L88 HydrophobicContact CG2-CG 4.2Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 VanDerWaalsContact O-CG 3.32Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.09Å; I84-L126 HydrophobicContact CB-CD2 4.38Å; I84-L126 HydrophobicContact CG2-CD1 4.41Å; I84-L126 HydrophobicContact CG2-CD2 3.71Å |
| 85 | D | 81.6 | Confident | 80.2 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.9 | -53.9 | 176.7 | -170.2 | -14.8 | 0 | 0 | 0 | 111.3 | M81 F87 T89 C96 L126 | M81-D85 WeakPolarHBondContact O-CB 2.92Å; M81-D85 PolarHBondContact O-N 2.83Å; D85-F87 PolarHBondContact O-N 2.61Å; D85-T89 VanDerWaalsContact O-CB 3.26Å; D85-T89 WeakPolarHBondContact O-CB 3.48Å; D85-T89 PolarHBondContact O-N 3.32Å; D85-T89 PolarHBondContact O-OG1 2.96Å; D85-T89 PolarHBondContact OD1-OG1 2.97Å; D85-C96 WeakPolarHBondContact OD1-CB 3.36Å; D85-L126 HydrophobicContact CB-CD1 3.8Å |
| 86 | N | 80.3 | Confident | 80 | Confident | 67 Ų | 67 | 30.3 Ų | 30.3 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 174.7 | -77.5 | -32.5 | 0 | 0 | 0 | 112 | N82 L88 T89 H90 | N82-N86 WeakPolarHBondContact O-CB 3.37Å; N82-N86 PolarHBondContact O-N 2.69Å; N82-N86 PolarHBondContact O-ND2 3.32Å; N82-N86 VanDerWaalsContact O-ND2 3.11Å; N86-L88 PolarHBondContact O-N 3.05Å; N86-T89 PolarHBondContact O-N 3.46Å; N86-H90 WeakPolarHBondContact O-CB 3.4Å; N86-H90 PolarHBondContact O-CD2 2.91Å; N86-H90 PolarHBondContact O-N 2.78Å; N86-H90 PolarHBondContact O-ND1 3.24Å |
| 87 | F | 83.7 | Confident | 79.8 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | -176.5 | -169.9 | -85.5 | 0 | 0 | 0 | 112.7 | L50 M53 V57 S83 I84 D85 H90 H91 L2318 D2322 | L50-F87 HydrophobicContact CD2-CE2 4.43Å; M53-F87 HydrophobicContact CB-CD1 3.7Å; M53-F87 HydrophobicContact CB-CE1 3.41Å; M53-F87 VanDerWaalsContact CB-CE1 3.41Å; M53-F87 HydrophobicContact CB-CZ 4.03Å; M53-F87 HydrophobicContact CG-CD1 3.93Å; M53-F87 HydrophobicContact CG-CE1 4.14Å; M53-F87 HydrophobicContact CG-CG 4.4Å; M53-F87 HydrophobicContact SD-CD1 4.3Å; V57-F87 HydrophobicContact CG2-CD1 4.25Å; V57-F87 HydrophobicContact CG2-CE1 3.93Å; S83-F87 WeakPolarHBondContact O-CB 3.32Å; S83-F87 PolarHBondContact O-N 3.31Å; I84-F87 PolarHBondContact O-N 3.4Å; D85-F87 PolarHBondContact O-N 2.61Å; F87-H90 PolarHBondContact O-N 3.22Å; F87-H91 AromaticContact CD1-CD2 3.68Å; F87-H91 AromaticContact CD2-CD2 3.87Å; F87-H91 AromaticContact CD2-NE2 3.83Å; F87-H91 AromaticContact CE1-CD2 3.44Å; F87-H91 VanDerWaalsContact CE1-CD2 3.44Å; F87-H91 WeakPolarHBondContact CE1-CD2 3.48Å; F87-H91 AromaticContact CE2-CD2 3.67Å; F87-H91 AromaticContact CE2-NE2 3.44Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.4Å; F87-H91 AromaticContact CG-CD2 3.88Å; F87-H91 AromaticContact CZ-CD2 3.45Å; F87-H91 VanDerWaalsContact CZ-CD2 3.45Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.4Å; F87-H91 AromaticContact CZ-NE2 3.59Å; F87-H91 PolarHBondContact O-CD2 2.79Å; F87-H91 PolarHBondContact O-N 2.8Å; F87-H91 VanDerWaalsContact O-N 3.16Å; F87-L2318 HydrophobicContact CZ-CB 3.94Å; F87-D2322 HydrophobicContact CD2-CB 4.02Å; F87-D2322 HydrophobicContact CE2-CB 4.23Å |
| 88 | L | 83 | Confident | 79.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.5 | -68.4 | 176.1 | 0 | 0 | 0 | 111.2 | V56 V57 I60 I84 N86 H90 H91 T92 I124 | V56-L88 HydrophobicContact CG1-CD2 3.93Å; V57-L88 HydrophobicContact CG2-CD2 3.79Å; I60-L88 HydrophobicContact CD1-CD2 4.41Å; I84-L88 HydrophobicContact CG2-CD1 3.72Å; I84-L88 HydrophobicContact CG2-CG 4.2Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 VanDerWaalsContact O-CG 3.32Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.09Å; N86-L88 PolarHBondContact O-N 3.05Å; L88-H90 PolarHBondContact O-N 3.19Å; L88-H91 PolarHBondContact O-N 3.26Å; L88-T92 WeakPolarHBondContact O-CB 3.13Å; L88-T92 PolarHBondContact O-N 3.43Å; L88-T92 PolarHBondContact O-OG1 2.82Å; L88-I124 HydrophobicContact CB-CD1 4.37Å; L88-I124 HydrophobicContact CD1-CD1 4.41Å; L88-I124 HydrophobicContact CD1-CG2 4.21Å |
| 89 | T | 82.1 | Confident | 80 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | D85 N86 G93 | D85-T89 VanDerWaalsContact O-CB 3.26Å; D85-T89 WeakPolarHBondContact O-CB 3.48Å; D85-T89 PolarHBondContact O-N 3.32Å; D85-T89 PolarHBondContact O-OG1 2.96Å; D85-T89 PolarHBondContact OD1-OG1 2.97Å; N86-T89 PolarHBondContact O-N 3.46Å; T89-G93 WeakPolarHBondContact O-CA 3.37Å; T89-G93 PolarHBondContact O-N 3.01Å; T89-G93 VanDerWaalsContact O-N 3.08Å |
| 90 | H | 81.2 | Confident | 80.1 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 178.8 | -66.1 | 167.5 | 0 | 0 | 0 | 113.1 | N86 F87 L88 H2307 D2322 V2325 K2329 | N86-H90 WeakPolarHBondContact O-CB 3.4Å; N86-H90 PolarHBondContact O-CD2 2.91Å; N86-H90 PolarHBondContact O-N 2.78Å; N86-H90 PolarHBondContact O-ND1 3.24Å; F87-H90 PolarHBondContact O-N 3.22Å; L88-H90 PolarHBondContact O-N 3.19Å; H90-H2307 PolarHBondContact O-CD2 3.19Å; H90-D2322 IonicContact CE1-OD1 3.25Å; H90-D2322 IonicContact CG-OD1 2.74Å; H90-D2322 IonicContact ND1-OD1 3.07Å; H90-D2322 PolarHBondContact ND1-OD1 3.27Å; H90-V2325 HydrophobicContact CB-CG1 4.5Å; H90-K2329 PolarHBondContact CD2-NZ 3.31Å; H90-K2329 VanDerWaalsContact CD2-NZ 3.34Å; H90-K2329 PolarHBondContact NE2-NZ 2.67Å |
| 91 | H | 78.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100.1 | -8.3 | -173.7 | -64.1 | -53.1 | 0 | 0 | 0 | 115.9 | V57 R61 F87 L88 L2318 | V57-H91 HydrophobicContact CG1-CB 4.18Å; V57-H91 HydrophobicContact CG2-CB 4.44Å; R61-H91 PolarHBondContact NH2-O 3.12Å; F87-H91 AromaticContact CD1-CD2 3.68Å; F87-H91 AromaticContact CD2-CD2 3.87Å; F87-H91 AromaticContact CD2-NE2 3.83Å; F87-H91 AromaticContact CE1-CD2 3.44Å; F87-H91 VanDerWaalsContact CE1-CD2 3.44Å; F87-H91 WeakPolarHBondContact CE1-CD2 3.48Å; F87-H91 AromaticContact CE2-CD2 3.67Å; F87-H91 AromaticContact CE2-NE2 3.44Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.4Å; F87-H91 AromaticContact CG-CD2 3.88Å; F87-H91 AromaticContact CZ-CD2 3.45Å; F87-H91 VanDerWaalsContact CZ-CD2 3.45Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.4Å; F87-H91 AromaticContact CZ-NE2 3.59Å; F87-H91 PolarHBondContact O-CD2 2.79Å; F87-H91 PolarHBondContact O-N 2.8Å; F87-H91 VanDerWaalsContact O-N 3.16Å; L88-H91 PolarHBondContact O-N 3.26Å; H91-L2318 HydrophobicContact CB-CD2 4.29Å; H91-L2318 PolarHBondContact CE1-O 2.92Å; H91-L2318 WeakPolarHBondContact ND1-CD2 3.43Å; H91-L2318 PolarHBondContact NE2-O 2.99Å; H91-L2318 VanDerWaalsContact NE2-O 3.09Å |
| 92 | T | 77.4 | Confident | 79.3 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -123.2 | -15.6 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | V57 L88 L94 | V57-T92 HydrophobicContact CG1-CG2 4.18Å; V57-T92 HydrophobicContact CG2-CG2 4.4Å; L88-T92 WeakPolarHBondContact O-CB 3.13Å; L88-T92 PolarHBondContact O-N 3.43Å; L88-T92 PolarHBondContact O-OG1 2.82Å; T92-L94 PolarHBondContact O-N 2.9Å; T92-L94 WeakPolarHBondContact OG1-CB 3.18Å; T92-L94 WeakPolarHBondContact OG1-CG 3.49Å; T92-L94 PolarHBondContact OG1-N 2.85Å |
| 93 | G | 74.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | trans | 63.9 | 0.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | T89 R2199 | T89-G93 WeakPolarHBondContact O-CA 3.37Å; T89-G93 PolarHBondContact O-N 3.01Å; T89-G93 VanDerWaalsContact O-N 3.08Å; G93-R2199 VanDerWaalsContact C-NH1 3.34Å; G93-R2199 PolarHBondContact O-NH1 3.08Å | ||
| 94 | L | 78.6 | Confident | 77.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -72.8 | 155.1 | -177 | -61.9 | 176.7 | 0 | 0 | 0 | 111.3 | I60 T92 C96 D123 I124 | I60-L94 HydrophobicContact CG2-CD1 3.67Å; T92-L94 PolarHBondContact O-N 2.9Å; T92-L94 WeakPolarHBondContact OG1-CB 3.18Å; T92-L94 WeakPolarHBondContact OG1-CG 3.49Å; T92-L94 PolarHBondContact OG1-N 2.85Å; L94-C96 PolarHBondContact O-N 3.23Å; L94-D123 HydrophobicContact CB-CB 3.91Å; L94-D123 HydrophobicContact CD2-CB 4.3Å; L94-D123 HydrophobicContact CG-CB 4.46Å; L94-I124 HydrophobicContact CB-CD1 3.93Å; L94-I124 HydrophobicContact CB-CG1 4.4Å; L94-I124 HydrophobicContact CD1-CD1 3.97Å; L94-I124 HydrophobicContact CD1-CG1 4.45Å | ||
| 95 | S | 79.9 | Confident | 76.2 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | trans | -83.5 | 109.1 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | Y122 D123 I124 | S95-Y122 WeakPolarHBondContact OG-CA 3.37Å; S95-D123 PolarHBondContact N-OD2 3.1Å; S95-D123 PolarHBondContact O-N 2.66Å; S95-D123 PolarHBondContact OG-N 2.72Å; S95-D123 PolarHBondContact OG-OD2 2.72Å; S95-I124 PolarHBondContact O-N 2.97Å | ||
| 96 | C | 81.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 10% | 0.101 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 149.1 | 175 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | D85 L94 Y122 I124 | D85-C96 WeakPolarHBondContact OD1-CB 3.36Å; L94-C96 PolarHBondContact O-N 3.23Å; C96-Y122 VanDerWaalsContact O-CD1 3.28Å; C96-Y122 WeakPolarHBondContact O-CD1 3.3Å; C96-Y122 WeakPolarHBondContact O-CE1 3.48Å; C96-I124 WeakPolarHBondContact CA-O 3.33Å |
| 97 | Y | 82.6 | Confident | 74.1 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132.9 | 165.8 | -171.9 | -82.8 | 0 | 0 | 0 | 111.5 | F99 R114 V118 Y122 I124 L126 | Y97-F99 AromaticContact CD1-CD2 3.7Å; Y97-F99 HydrophobicContact CD1-CD2 3.7Å; Y97-F99 AromaticContact CD1-CE2 3.67Å; Y97-F99 HydrophobicContact CD1-CE2 3.67Å; Y97-F99 HydrophobicContact CD1-CG 4.3Å; Y97-F99 HydrophobicContact CD1-CZ 4.23Å; Y97-F99 HydrophobicContact CE1-CD1 4.05Å; Y97-F99 AromaticContact CE1-CD2 3.73Å; Y97-F99 HydrophobicContact CE1-CD2 3.73Å; Y97-F99 AromaticContact CE1-CE1 3.93Å; Y97-F99 HydrophobicContact CE1-CE1 3.93Å; Y97-F99 AromaticContact CE1-CE2 3.59Å; Y97-F99 HydrophobicContact CE1-CE2 3.59Å; Y97-F99 AromaticContact CE1-CG 3.96Å; Y97-F99 HydrophobicContact CE1-CG 3.96Å; Y97-F99 AromaticContact CE1-CZ 3.69Å; Y97-F99 HydrophobicContact CE1-CZ 3.69Å; Y97-R114 PolarHBondContact OH-NH2 3.21Å; Y97-V118 HydrophobicContact CD1-CG1 3.67Å; Y97-V118 HydrophobicContact CD2-CG1 4.36Å; Y97-V118 HydrophobicContact CE1-CG1 4.27Å; Y97-V118 HydrophobicContact CE1-CG2 4.37Å; Y97-V118 HydrophobicContact CE2-CG2 4.49Å; Y97-V118 HydrophobicContact CG-CG1 3.72Å; Y97-Y122 HydrophobicContact CD2-CE1 4.25Å; Y97-Y122 HydrophobicContact CD2-CE2 4.04Å; Y97-Y122 AromaticContact CD2-CZ 3.88Å; Y97-I124 PolarHBondContact N-O 3.43Å; Y97-L126 PolarHBondContact O-N 2.95Å |
| 98 | S | 81.4 | Confident | 72.9 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.2 | -179.9 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 99 | F | 82.1 | Confident | 71.8 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 103.8 | 169.7 | -82.7 | -79.5 | 0 | 0 | 0 | 111.3 | M81 Y97 F111 L115 V118 I125 L126 L127 S128 L131 | M81-F99 WeakPolarHBondContact CE-O 2.84Å; Y97-F99 AromaticContact CD1-CD2 3.7Å; Y97-F99 HydrophobicContact CD1-CD2 3.7Å; Y97-F99 AromaticContact CD1-CE2 3.67Å; Y97-F99 HydrophobicContact CD1-CE2 3.67Å; Y97-F99 HydrophobicContact CD1-CG 4.3Å; Y97-F99 HydrophobicContact CD1-CZ 4.23Å; Y97-F99 HydrophobicContact CE1-CD1 4.05Å; Y97-F99 AromaticContact CE1-CD2 3.73Å; Y97-F99 HydrophobicContact CE1-CD2 3.73Å; Y97-F99 AromaticContact CE1-CE1 3.93Å; Y97-F99 HydrophobicContact CE1-CE1 3.93Å; Y97-F99 AromaticContact CE1-CE2 3.59Å; Y97-F99 HydrophobicContact CE1-CE2 3.59Å; Y97-F99 AromaticContact CE1-CG 3.96Å; Y97-F99 HydrophobicContact CE1-CG 3.96Å; Y97-F99 AromaticContact CE1-CZ 3.69Å; Y97-F99 HydrophobicContact CE1-CZ 3.69Å; F99-F111 AromaticContact CD1-CE2 3.98Å; F99-F111 HydrophobicContact CD1-CE2 3.98Å; F99-F111 HydrophobicContact CD1-CZ 4.3Å; F99-F111 HydrophobicContact CE1-CE2 4.03Å; F99-F111 HydrophobicContact CE1-CZ 4.43Å; F99-L115 HydrophobicContact CD2-CD1 4.1Å; F99-L115 HydrophobicContact CE2-CD1 3.66Å; F99-L115 HydrophobicContact CZ-CD1 4.03Å; F99-V118 HydrophobicContact CE2-CB 4.02Å; F99-V118 HydrophobicContact CE2-CG1 3.71Å; F99-V118 HydrophobicContact CE2-CG2 4.33Å; F99-V118 HydrophobicContact CZ-CB 4.12Å; F99-V118 HydrophobicContact CZ-CG1 4.25Å; F99-V118 HydrophobicContact CZ-CG2 4.03Å; F99-I125 HydrophobicContact CD2-CG2 4.06Å; F99-I125 HydrophobicContact CE2-CG2 4.44Å; F99-L126 PolarHBondContact N-O 3.47Å; F99-L127 HydrophobicContact CB-CD2 3.67Å; F99-L127 HydrophobicContact CB-CG 4.41Å; F99-L127 HydrophobicContact CD2-CD2 4.35Å; F99-L127 HydrophobicContact CG-CD2 4.27Å; F99-S128 PolarHBondContact O-N 3.06Å; F99-L131 HydrophobicContact CB-CD1 3.71Å; F99-L131 WeakPolarHBondContact O-CD1 3.41Å |
| 100 | K | 77.3 | Confident | 71 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | trans | -83.9 | 155.9 | 175.3 | -69.3 | -177.3 | -179.3 | -174.4 | 0 | 112.5 | D78 M81 N82 D102 N106 | D78-K100 WeakPolarHBondContact OD1-CA 3.26Å; D78-K100 VanDerWaalsContact OD1-CB 3.26Å; D78-K100 WeakPolarHBondContact OD1-CB 3.1Å; M81-K100 HydrophobicContact SD-CG 3.57Å; M81-K100 VanDerWaalsContact SD-CG 3.57Å; N82-K100 WeakPolarHBondContact OD1-CE 3.35Å; N82-K100 PolarHBondContact OD1-NZ 3.12Å; K100-D102 PolarHBondContact O-N 2.77Å; K100-N106 PolarHBondContact O-ND2 3.07Å; K100-N106 VanDerWaalsContact O-ND2 3.11Å | ||
| 101 | Y | 70.6 | Confident | 70.4 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | trans | -79 | 109.3 | 173.6 | -173.6 | -94.6 | 0 | 0 | 0 | 111.1 | D78 E103 W130 L131 V134 | D78-Y101 PolarHBondContact OD1-N 2.98Å; Y101-E103 HydrophobicContact CD1-CG 4.35Å; Y101-E103 HydrophobicContact CE1-CG 3.44Å; Y101-E103 VanDerWaalsContact CE1-CG 3.44Å; Y101-W130 HydrophobicContact CD2-CB 3.62Å; Y101-W130 WeakPolarHBondContact CD2-O 3.5Å; Y101-W130 HydrophobicContact CE2-CB 4.15Å; Y101-W130 WeakPolarHBondContact CE2-O 3.36Å; Y101-W130 HydrophobicContact CG-CB 3.83Å; Y101-L131 HydrophobicContact CD2-CG 4.49Å; Y101-V134 HydrophobicContact CE2-CG2 4.14Å | ||
| 102 | D | 70.1 | Confident | 70.1 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | trans | -130.1 | 113.4 | 173.7 | 172.4 | 0.3 | 0 | 0 | 0 | 108.7 | K100 Q104 N105 N106 | K100-D102 PolarHBondContact O-N 2.77Å; D102-Q104 PolarHBondContact O-N 3.04Å; D102-Q104 PolarHBondContact OD1-N 3.19Å; D102-N105 HydrophobicContact CB-CB 4.48Å; D102-N105 PolarHBondContact O-N 3.46Å; D102-N105 PolarHBondContact OD2-ND2 2.49Å; D102-N106 PolarHBondContact N-ND2 3.13Å; D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 VanDerWaalsContact O-CG 3.25Å; D102-N106 PolarHBondContact O-N 3.05Å; D102-N106 VanDerWaalsContact O-N 3.08Å; D102-N106 PolarHBondContact O-ND2 2.24Å | ||
| 103 | E | 59.6 | Low | 69.8 | Low | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.9 | -175.5 | -61.3 | -174.4 | 163.8 | 0 | 0 | 113.3 | Y101 I107 T720 | Y101-E103 HydrophobicContact CD1-CG 4.35Å; Y101-E103 HydrophobicContact CE1-CG 3.44Å; Y101-E103 VanDerWaalsContact CE1-CG 3.44Å; E103-I107 VanDerWaalsContact O-CD1 3.24Å; E103-I107 WeakPolarHBondContact O-CD1 3.44Å; E103-I107 WeakPolarHBondContact O-CG1 3.31Å; E103-T720 WeakPolarHBondContact OE2-CG2 3.41Å |
| 104 | Q | 56.3 | Low | 69.8 | Low | 136 Ų | 136 | 71.3 Ų | 71.3 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -25.5 | -176.4 | -64.3 | -171.4 | -11.2 | 0 | 0 | 113.4 | D102 | D102-Q104 PolarHBondContact O-N 3.04Å; D102-Q104 PolarHBondContact OD1-N 3.19Å |
| 105 | N | 58.5 | Low | 69.7 | Low | 69 Ų | 69 | 71.2 Ų | 71.2 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -30.7 | -179.3 | -81.9 | -60.2 | 0 | 0 | 0 | 113.8 | D102 I107 K108 | D102-N105 HydrophobicContact CB-CB 4.48Å; D102-N105 PolarHBondContact O-N 3.46Å; D102-N105 PolarHBondContact OD2-ND2 2.49Å; N105-I107 VanDerWaalsContact C-N 3.33Å; N105-I107 PolarHBondContact O-N 3.22Å; N105-K108 PolarHBondContact OD1-NZ 3.02Å |
| 106 | N | 60.1 | Low | 69.5 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.6 | -170.7 | -64 | -21.6 | 0 | 0 | 0 | 114.5 | K100 D102 F111 L131 V134 | K100-N106 PolarHBondContact O-ND2 3.07Å; K100-N106 VanDerWaalsContact O-ND2 3.11Å; D102-N106 PolarHBondContact N-ND2 3.13Å; D102-N106 WeakPolarHBondContact O-CB 3.4Å; D102-N106 VanDerWaalsContact O-CG 3.25Å; D102-N106 PolarHBondContact O-N 3.05Å; D102-N106 VanDerWaalsContact O-N 3.08Å; D102-N106 PolarHBondContact O-ND2 2.24Å; N106-F111 HydrophobicContact CB-CD2 4.36Å; N106-F111 HydrophobicContact CB-CE2 4.36Å; N106-F111 WeakPolarHBondContact OD1-CE2 3.47Å; N106-L131 HydrophobicContact CB-CD2 4.08Å; N106-L131 VanDerWaalsContact ND2-CD2 3.33Å; N106-L131 WeakPolarHBondContact ND2-CD2 3.38Å; N106-V134 HydrophobicContact CB-CG1 4.44Å; N106-V134 VanDerWaalsContact O-CG1 3.31Å; N106-V134 WeakPolarHBondContact O-CG1 3.43Å |
| 107 | I | 57.3 | Low | 69.4 | Low | 130 Ų | 130 | 73.8 Ų | 73.8 | 67% | 0.667 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -9 | 178.2 | -59.9 | 177.5 | 0 | 0 | 0 | 112.4 | E103 N105 | E103-I107 VanDerWaalsContact O-CD1 3.24Å; E103-I107 WeakPolarHBondContact O-CD1 3.44Å; E103-I107 WeakPolarHBondContact O-CG1 3.31Å; N105-I107 VanDerWaalsContact C-N 3.33Å; N105-I107 PolarHBondContact O-N 3.22Å |
| 108 | K | 58.4 | Low | 69.2 | Low | 110 Ų | 110 | 71.9 Ų | 71.9 | 48% | 0.478 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -68.9 | 136.1 | 179.8 | -65.4 | 170.7 | -179 | 170.8 | 0 | 110.9 | N105 D110 F111 | N105-K108 PolarHBondContact OD1-NZ 3.02Å; K108-D110 PolarHBondContact O-N 2.9Å; K108-F111 WeakPolarHBondContact O-CB 3.17Å; K108-F111 PolarHBondContact O-N 3.13Å |
| 109 | K | 59.1 | Low | 68.9 | Low | 182 Ų | 182 | 70.5 Ų | 70.5 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -44.5 | 179.5 | -83.8 | -172.9 | 171.9 | -177.1 | 0 | 112.5 | F111 M112 | K109-F111 PolarHBondContact O-N 3.47Å; K109-M112 PolarHBondContact O-N 2.96Å |
| 110 | D | 65.8 | Low | 68.7 | Low | 114 Ų | 114 | 78.7 Ų | 78.7 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.1 | -178.3 | -32.6 | -11.8 | 0 | 0 | 0 | 113.1 | K108 M112 D113 R114 | K108-D110 PolarHBondContact O-N 2.9Å; D110-M112 VanDerWaalsContact C-N 3.27Å; D110-M112 PolarHBondContact O-N 3.11Å; D110-D113 PolarHBondContact O-N 3.04Å; D110-R114 VanDerWaalsContact O-CB 3.28Å; D110-R114 WeakPolarHBondContact O-CB 3.47Å; D110-R114 PolarHBondContact O-N 2.95Å |
| 111 | F | 69.9 | Low | 68.7 | Low | 8 Ų | 8 | 82 Ų | 82 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.2 | -39.6 | 175.8 | -179.8 | -88.3 | 0 | 0 | 0 | 112.1 | F99 N106 K108 K109 L115 L131 I135 L138 | F99-F111 AromaticContact CD1-CE2 3.98Å; F99-F111 HydrophobicContact CD1-CE2 3.98Å; F99-F111 HydrophobicContact CD1-CZ 4.3Å; F99-F111 HydrophobicContact CE1-CE2 4.03Å; F99-F111 HydrophobicContact CE1-CZ 4.43Å; N106-F111 HydrophobicContact CB-CD2 4.36Å; N106-F111 HydrophobicContact CB-CE2 4.36Å; N106-F111 WeakPolarHBondContact OD1-CE2 3.47Å; K108-F111 WeakPolarHBondContact O-CB 3.17Å; K108-F111 PolarHBondContact O-N 3.13Å; K109-F111 PolarHBondContact O-N 3.47Å; F111-L115 HydrophobicContact CE1-CB 4.49Å; F111-L115 HydrophobicContact CE1-CD2 4.39Å; F111-L115 VanDerWaalsContact O-CB 3.23Å; F111-L115 WeakPolarHBondContact O-CB 3.39Å; F111-L115 PolarHBondContact O-N 3.44Å; F111-L131 HydrophobicContact CE2-CD2 4.08Å; F111-L131 HydrophobicContact CZ-CD2 3.74Å; F111-I135 HydrophobicContact CE1-CG1 3.92Å; F111-L138 HydrophobicContact CB-CD1 4.21Å; F111-L138 HydrophobicContact CD1-CD1 4.01Å; F111-L138 HydrophobicContact CG-CD1 4.41Å |
| 112 | M | 70.4 | Confident | 69.2 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 179.7 | -71.8 | -56.8 | -51.7 | 0 | 0 | 112.8 | K109 D110 L115 T116 I135 L138 F143 | K109-M112 PolarHBondContact O-N 2.96Å; D110-M112 VanDerWaalsContact C-N 3.27Å; D110-M112 PolarHBondContact O-N 3.11Å; M112-L115 HydrophobicContact CE-CD2 4.18Å; M112-L115 HydrophobicContact SD-CD2 4.36Å; M112-T116 WeakPolarHBondContact O-CB 3.38Å; M112-T116 PolarHBondContact O-N 2.96Å; M112-T116 PolarHBondContact O-OG1 3.1Å; M112-I135 HydrophobicContact SD-CG2 4.28Å; M112-L138 HydrophobicContact CG-CB 3.87Å; M112-L138 HydrophobicContact CG-CD1 4.36Å; M112-L138 HydrophobicContact SD-CB 4.17Å; M112-F143 HydrophobicContact CE-CD1 4.14Å; M112-F143 HydrophobicContact CE-CE1 3.73Å |
| 113 | D | 71.9 | Confident | 69.7 | Low | 118 Ų | 118 | 79.9 Ų | 79.9 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.2 | -40.7 | 175.3 | -62.2 | -49.4 | 0 | 0 | 0 | 110.9 | D110 T116 S117 | D110-D113 PolarHBondContact O-N 3.04Å; D113-T116 PolarHBondContact O-N 3.18Å; D113-S117 VanDerWaalsContact O-CB 3.25Å; D113-S117 WeakPolarHBondContact O-CB 3.07Å; D113-S117 PolarHBondContact O-N 3.35Å |
| 114 | R | 74.9 | Confident | 70.9 | Confident | 140 Ų | 140 | 76.3 Ų | 76.3 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 173.2 | -173.2 | 176.7 | 176.9 | -169.1 | -0.9 | 111.8 | Y97 D110 S117 V118 | Y97-R114 PolarHBondContact OH-NH2 3.21Å; D110-R114 VanDerWaalsContact O-CB 3.28Å; D110-R114 WeakPolarHBondContact O-CB 3.47Å; D110-R114 PolarHBondContact O-N 2.95Å; R114-S117 PolarHBondContact O-N 2.84Å; R114-V118 WeakPolarHBondContact O-CB 3.49Å; R114-V118 VanDerWaalsContact O-CG2 3.29Å; R114-V118 WeakPolarHBondContact O-CG2 3.47Å; R114-V118 PolarHBondContact O-N 3.18Å |
| 115 | L | 75.1 | Confident | 72.4 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 172.8 | -175.9 | 70.8 | 0 | 0 | 0 | 110.1 | F99 F111 M112 S117 V118 V119 I135 | F99-L115 HydrophobicContact CD2-CD1 4.1Å; F99-L115 HydrophobicContact CE2-CD1 3.66Å; F99-L115 HydrophobicContact CZ-CD1 4.03Å; F111-L115 HydrophobicContact CE1-CB 4.49Å; F111-L115 HydrophobicContact CE1-CD2 4.39Å; F111-L115 VanDerWaalsContact O-CB 3.23Å; F111-L115 WeakPolarHBondContact O-CB 3.39Å; F111-L115 PolarHBondContact O-N 3.44Å; M112-L115 HydrophobicContact CE-CD2 4.18Å; M112-L115 HydrophobicContact SD-CD2 4.36Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.21Å; L115-V118 PolarHBondContact O-N 3.29Å; L115-V119 WeakPolarHBondContact O-CB 3.16Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 3.44Å; L115-I135 HydrophobicContact CD2-CD1 4.45Å; L115-I135 HydrophobicContact CD2-CG1 4.45Å |
| 116 | T | 75.6 | Confident | 73.7 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -33 | -179 | -53.5 | 0 | 0 | 0 | 0 | 112.7 | M112 D113 R120 | M112-T116 WeakPolarHBondContact O-CB 3.38Å; M112-T116 PolarHBondContact O-N 2.96Å; M112-T116 PolarHBondContact O-OG1 3.1Å; D113-T116 PolarHBondContact O-N 3.18Å; T116-R120 WeakPolarHBondContact O-CG 3.21Å; T116-R120 PolarHBondContact O-N 2.88Å; T116-R120 VanDerWaalsContact O-N 3.14Å |
| 117 | S | 80.1 | Confident | 75 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 54% | 0.538 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.7 | -45.1 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | D113 R114 L115 R120 K121 | D113-S117 VanDerWaalsContact O-CB 3.25Å; D113-S117 WeakPolarHBondContact O-CB 3.07Å; D113-S117 PolarHBondContact O-N 3.35Å; R114-S117 PolarHBondContact O-N 2.84Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.21Å; S117-R120 PolarHBondContact O-N 3.19Å; S117-K121 PolarHBondContact O-N 2.67Å; S117-K121 VanDerWaalsContact O-N 3.16Å |
| 118 | V | 78.7 | Confident | 76.3 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.3 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | Y97 F99 R114 L115 R120 K121 Y122 | Y97-V118 HydrophobicContact CD1-CG1 3.67Å; Y97-V118 HydrophobicContact CD2-CG1 4.36Å; Y97-V118 HydrophobicContact CE1-CG1 4.27Å; Y97-V118 HydrophobicContact CE1-CG2 4.37Å; Y97-V118 HydrophobicContact CE2-CG2 4.49Å; Y97-V118 HydrophobicContact CG-CG1 3.72Å; F99-V118 HydrophobicContact CE2-CB 4.02Å; F99-V118 HydrophobicContact CE2-CG1 3.71Å; F99-V118 HydrophobicContact CE2-CG2 4.33Å; F99-V118 HydrophobicContact CZ-CB 4.12Å; F99-V118 HydrophobicContact CZ-CG1 4.25Å; F99-V118 HydrophobicContact CZ-CG2 4.03Å; R114-V118 WeakPolarHBondContact O-CB 3.49Å; R114-V118 VanDerWaalsContact O-CG2 3.29Å; R114-V118 WeakPolarHBondContact O-CG2 3.47Å; R114-V118 PolarHBondContact O-N 3.18Å; L115-V118 PolarHBondContact O-N 3.29Å; V118-R120 PolarHBondContact O-N 2.97Å; V118-K121 PolarHBondContact O-N 3.27Å; V118-K121 VanDerWaalsContact O-N 3.1Å; V118-Y122 HydrophobicContact CB-CD2 4.45Å; V118-Y122 HydrophobicContact CG1-CD2 3.81Å; V118-Y122 HydrophobicContact CG1-CE2 4.4Å; V118-Y122 HydrophobicContact CG1-CG 4.45Å; V118-Y122 WeakPolarHBondContact O-CD2 3.47Å; V118-Y122 PolarHBondContact O-N 2.8Å |
| 119 | V | 76.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -49.5 | -58.6 | 169.7 | 168.4 | 0 | 0 | 0 | 0 | 109.2 | Q71 L115 K121 Y122 I125 Y151 F152 | Q71-V119 PolarHBondContact NE2-O 3.09Å; Q71-V119 VanDerWaalsContact OE1-CG1 3.31Å; Q71-V119 PolarHBondContact OE1-O 2.97Å; L115-V119 WeakPolarHBondContact O-CB 3.16Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 3.44Å; V119-K121 PolarHBondContact O-N 3.32Å; V119-Y122 PolarHBondContact O-N 3.17Å; V119-I125 HydrophobicContact CB-CD1 4.1Å; V119-I125 HydrophobicContact CG2-CD1 3.42Å; V119-I125 VanDerWaalsContact CG2-CD1 3.42Å; V119-Y151 HydrophobicContact CG1-CD1 4.25Å; V119-Y151 HydrophobicContact CG1-CG 4.13Å; V119-F152 HydrophobicContact CG1-CZ 4.47Å; V119-F152 HydrophobicContact CG2-CZ 4.24Å |
| 120 | R | 76.5 | Confident | 78.5 | Confident | 182 Ų | 182 | 51 Ų | 51 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.1 | -16.7 | -178.3 | -71.8 | 179.1 | 179.4 | -179.2 | -0.1 | 115.8 | T116 S117 V118 | T116-R120 WeakPolarHBondContact O-CG 3.21Å; T116-R120 PolarHBondContact O-N 2.88Å; T116-R120 VanDerWaalsContact O-N 3.14Å; S117-R120 PolarHBondContact O-N 3.19Å; V118-R120 PolarHBondContact O-N 2.97Å |
| 121 | K | 78.5 | Confident | 79.1 | Confident | 153 Ų | 153 | 45.7 Ų | 45.7 | 67% | 0.665 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -103 | -24.6 | -176.2 | -176.9 | 171.7 | 178.8 | -179.9 | 0 | 114.7 | S117 V118 V119 | S117-K121 PolarHBondContact O-N 2.67Å; S117-K121 VanDerWaalsContact O-N 3.16Å; V118-K121 PolarHBondContact O-N 3.27Å; V118-K121 VanDerWaalsContact O-N 3.1Å; V119-K121 PolarHBondContact O-N 3.32Å |
| 122 | Y | 81.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | trans | -119.9 | 141.4 | -170.4 | -69.5 | -96.4 | 0 | 0 | 0 | 112.7 | Q71 S95 C96 Y97 V118 V119 | Q71-Y122 VanDerWaalsContact CD-O 3.26Å; Q71-Y122 PolarHBondContact NE2-O 2.87Å; S95-Y122 WeakPolarHBondContact OG-CA 3.37Å; C96-Y122 VanDerWaalsContact O-CD1 3.28Å; C96-Y122 WeakPolarHBondContact O-CD1 3.3Å; C96-Y122 WeakPolarHBondContact O-CE1 3.48Å; Y97-Y122 HydrophobicContact CD2-CE1 4.25Å; Y97-Y122 HydrophobicContact CD2-CE2 4.04Å; Y97-Y122 AromaticContact CD2-CZ 3.88Å; V118-Y122 HydrophobicContact CB-CD2 4.45Å; V118-Y122 HydrophobicContact CG1-CD2 3.81Å; V118-Y122 HydrophobicContact CG1-CE2 4.4Å; V118-Y122 HydrophobicContact CG1-CG 4.45Å; V118-Y122 WeakPolarHBondContact O-CD2 3.47Å; V118-Y122 PolarHBondContact O-N 2.8Å; V119-Y122 PolarHBondContact O-N 3.17Å | ||
| 123 | D | 80.6 | Confident | 79.6 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -70.1 | -37.4 | 178.3 | -64.5 | -90.9 | 0 | 0 | 0 | 112.5 | R64 I72 L94 S95 | R64-D123 IonicContact CZ-OD1 2.84Å; R64-D123 IonicContact NH2-OD1 3.33Å; R64-D123 PolarHBondContact NH2-OD1 2.78Å; I72-D123 PolarHBondContact N-O 2.9Å; L94-D123 HydrophobicContact CB-CB 3.91Å; L94-D123 HydrophobicContact CD2-CB 4.3Å; L94-D123 HydrophobicContact CG-CB 4.46Å; S95-D123 PolarHBondContact N-OD2 3.1Å; S95-D123 PolarHBondContact O-N 2.66Å; S95-D123 PolarHBondContact OG-N 2.72Å; S95-D123 PolarHBondContact OG-OD2 2.72Å |
| 124 | I | 84.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.5 | -169.5 | -59.5 | 175.9 | 0 | 0 | 0 | 109.9 | I60 I72 L88 L94 S95 C96 Y97 | I60-I124 HydrophobicContact CD1-CD1 4.29Å; I72-I124 HydrophobicContact CB-CG1 4.28Å; I72-I124 HydrophobicContact CD1-CD1 4.25Å; I72-I124 HydrophobicContact CD1-CG1 3.72Å; L88-I124 HydrophobicContact CB-CD1 4.37Å; L88-I124 HydrophobicContact CD1-CD1 4.41Å; L88-I124 HydrophobicContact CD1-CG2 4.21Å; L94-I124 HydrophobicContact CB-CD1 3.93Å; L94-I124 HydrophobicContact CB-CG1 4.4Å; L94-I124 HydrophobicContact CD1-CD1 3.97Å; L94-I124 HydrophobicContact CD1-CG1 4.45Å; S95-I124 PolarHBondContact O-N 2.97Å; C96-I124 WeakPolarHBondContact CA-O 3.33Å; Y97-I124 PolarHBondContact N-O 3.43Å |
| 125 | I | 86.7 | Confident | 79.6 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 116.7 | 178 | -44.8 | -177.3 | 0 | 0 | 0 | 110.2 | I72 Y74 F99 V119 L127 F152 | I72-I125 PolarHBondContact O-N 2.92Å; Y74-I125 PolarHBondContact N-O 2.75Å; F99-I125 HydrophobicContact CD2-CG2 4.06Å; F99-I125 HydrophobicContact CE2-CG2 4.44Å; V119-I125 HydrophobicContact CB-CD1 4.1Å; V119-I125 HydrophobicContact CG2-CD1 3.42Å; V119-I125 VanDerWaalsContact CG2-CD1 3.42Å; I125-L127 HydrophobicContact CG2-CD1 4.13Å; I125-L127 HydrophobicContact CG2-CG 4.18Å; I125-F152 HydrophobicContact CD1-CE1 3.96Å; I125-F152 HydrophobicContact CD1-CZ 3.76Å; I125-F152 HydrophobicContact CG1-CE1 4.35Å |
| 126 | L | 86.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.8 | 172.7 | -71.9 | 154.7 | 0 | 0 | 0 | 109 | Y74 T76 M81 I84 D85 Y97 F99 | Y74-L126 HydrophobicContact CD1-CD2 3.96Å; Y74-L126 HydrophobicContact CD2-CD2 4.41Å; Y74-L126 HydrophobicContact CG-CD2 3.8Å; Y74-L126 WeakPolarHBondContact O-CA 3.28Å; T76-L126 HydrophobicContact CG2-CD2 3.82Å; M81-L126 HydrophobicContact CE-CB 3.7Å; M81-L126 WeakPolarHBondContact CE-O 3.37Å; I84-L126 HydrophobicContact CB-CD2 4.38Å; I84-L126 HydrophobicContact CG2-CD1 4.41Å; I84-L126 HydrophobicContact CG2-CD2 3.71Å; D85-L126 HydrophobicContact CB-CD1 3.8Å; Y97-L126 PolarHBondContact O-N 2.95Å; F99-L126 PolarHBondContact N-O 3.47Å |
| 127 | L | 86 | Confident | 79.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130 | -176.9 | -85.6 | 157.6 | 0 | 0 | 0 | 111.8 | I73 Y74 F75 T76 F99 I125 L131 I135 | I73-L127 HydrophobicContact CD1-CD1 3.66Å; I73-L127 HydrophobicContact CG1-CD1 3.99Å; Y74-L127 PolarHBondContact O-N 3.46Å; F75-L127 WeakPolarHBondContact CA-O 3.5Å; F75-L127 HydrophobicContact CD1-CB 4.01Å; F75-L127 HydrophobicContact CE1-CB 4.04Å; F75-L127 HydrophobicContact CE1-CD1 4.41Å; T76-L127 PolarHBondContact N-O 3.14Å; F99-L127 HydrophobicContact CB-CD2 3.67Å; F99-L127 HydrophobicContact CB-CG 4.41Å; F99-L127 HydrophobicContact CD2-CD2 4.35Å; F99-L127 HydrophobicContact CG-CD2 4.27Å; I125-L127 HydrophobicContact CG2-CD1 4.13Å; I125-L127 HydrophobicContact CG2-CG 4.18Å; L127-L131 HydrophobicContact CD2-CB 4.24Å; L127-L131 HydrophobicContact CD2-CD1 3.65Å; L127-I135 HydrophobicContact CD2-CD1 4.38Å |
| 128 | S | 85.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -65.5 | 132.8 | 166.5 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | T76 D78 F99 W130 L131 | T76-S128 WeakPolarHBondContact O-CA 3.46Å; D78-S128 VanDerWaalsContact OD2-CB 3.22Å; D78-S128 WeakPolarHBondContact OD2-CB 3.33Å; D78-S128 PolarHBondContact OD2-OG 3.4Å; F99-S128 PolarHBondContact O-N 3.06Å; S128-W130 PolarHBondContact O-N 2.57Å; S128-L131 WeakPolarHBondContact O-CB 3.12Å; S128-L131 PolarHBondContact O-N 3.05Å | ||
| 129 | P | 81.4 | Confident | 77.6 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -53.2 | -28.7 | 176.6 | -28.7 | 35.3 | 0 | 0 | 0 | 114 | T76 L131 I132 P169 L170 | T76-P129 WeakPolarHBondContact O-CD 3.03Å; P129-L131 PolarHBondContact O-N 3.2Å; P129-I132 WeakPolarHBondContact O-CB 3.35Å; P129-I132 WeakPolarHBondContact O-CG1 3.32Å; P129-I132 PolarHBondContact O-N 3.18Å; P129-I132 VanDerWaalsContact O-N 3.08Å; P129-P169 HydrophobicContact CB-CG 4.03Å; P129-P169 VanDerWaalsContact O-CB 3.3Å; P129-P169 WeakPolarHBondContact O-CB 3.4Å; P129-P169 WeakPolarHBondContact O-CG 3.3Å; P129-L170 HydrophobicContact CB-CD2 4.3Å; P129-L170 HydrophobicContact CB-CG 4.3Å |
| 130 | W | 81.5 | Confident | 77.1 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -68.4 | -10 | 178.5 | -66.2 | 92.1 | 0 | 0 | 0 | 114.6 | Y101 S128 P133 P169 | Y101-W130 HydrophobicContact CD2-CB 3.62Å; Y101-W130 WeakPolarHBondContact CD2-O 3.5Å; Y101-W130 HydrophobicContact CE2-CB 4.15Å; Y101-W130 WeakPolarHBondContact CE2-O 3.36Å; Y101-W130 HydrophobicContact CG-CB 3.83Å; S128-W130 PolarHBondContact O-N 2.57Å; W130-P133 WeakPolarHBondContact O-CD 3.47Å; W130-P169 HydrophobicContact CD2-CG 4.25Å; W130-P169 HydrophobicContact CE3-CG 4.49Å; W130-P169 HydrophobicContact CG-CG 4.47Å |
| 131 | L | 78.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -80.2 | -19.4 | 169.5 | -80.8 | 161.2 | 0 | 0 | 0 | 113.8 | F99 Y101 N106 F111 L127 S128 P129 V134 I135 | F99-L131 HydrophobicContact CB-CD1 3.71Å; F99-L131 WeakPolarHBondContact O-CD1 3.41Å; Y101-L131 HydrophobicContact CD2-CG 4.49Å; N106-L131 HydrophobicContact CB-CD2 4.08Å; N106-L131 VanDerWaalsContact ND2-CD2 3.33Å; N106-L131 WeakPolarHBondContact ND2-CD2 3.38Å; F111-L131 HydrophobicContact CE2-CD2 4.08Å; F111-L131 HydrophobicContact CZ-CD2 3.74Å; L127-L131 HydrophobicContact CD2-CB 4.24Å; L127-L131 HydrophobicContact CD2-CD1 3.65Å; S128-L131 WeakPolarHBondContact O-CB 3.12Å; S128-L131 PolarHBondContact O-N 3.05Å; P129-L131 PolarHBondContact O-N 3.2Å; L131-V134 WeakPolarHBondContact O-CB 3.37Å; L131-V134 PolarHBondContact O-N 2.8Å; L131-V134 VanDerWaalsContact O-N 3.08Å; L131-I135 HydrophobicContact CB-CD1 4.21Å; L131-I135 WeakPolarHBondContact O-CG1 3.12Å; L131-I135 PolarHBondContact O-N 3.38Å |
| 132 | I | 76.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.5 | -47.2 | -178.7 | -66.4 | 170 | 0 | 0 | 0 | 112.1 | F75 P129 V134 I135 V136 P169 L170 I172 V173 | F75-I132 HydrophobicContact CD1-CD1 4.08Å; F75-I132 HydrophobicContact CE1-CD1 3.82Å; F75-I132 HydrophobicContact CE1-CG1 3.94Å; F75-I132 HydrophobicContact CZ-CD1 4.43Å; P129-I132 WeakPolarHBondContact O-CB 3.35Å; P129-I132 WeakPolarHBondContact O-CG1 3.32Å; P129-I132 PolarHBondContact O-N 3.18Å; P129-I132 VanDerWaalsContact O-N 3.08Å; I132-V134 VanDerWaalsContact C-N 3.28Å; I132-V134 PolarHBondContact O-N 3.15Å; I132-I135 PolarHBondContact O-N 3.04Å; I132-V136 HydrophobicContact CG2-CG2 4.43Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.46Å; I132-V136 PolarHBondContact O-N 3.44Å; I132-P169 HydrophobicContact CB-CB 4.47Å; I132-L170 HydrophobicContact CD1-CD2 3.81Å; I132-I172 HydrophobicContact CG2-CB 4.34Å; I132-V173 HydrophobicContact CD1-CG2 4.41Å; I132-V173 HydrophobicContact CG2-CG2 3.59Å |
| 133 | P | 73.9 | Confident | 75 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 29% | 0.292 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 174.5 | -21.8 | 32.2 | 0 | 0 | 0 | 113.2 | W130 M137 P169 I172 | W130-P133 WeakPolarHBondContact O-CD 3.47Å; P133-M137 VanDerWaalsContact O-CB 3.31Å; P133-M137 WeakPolarHBondContact O-CB 3.07Å; P133-M137 PolarHBondContact O-N 3.31Å; P133-P169 HydrophobicContact CG-CB 3.82Å; P133-I172 HydrophobicContact CB-CD1 4.25Å; P133-I172 HydrophobicContact CG-CD1 3.88Å |
| 134 | V | 74.2 | Confident | 74.6 | Confident | 22 Ų | 22 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -47.8 | -179.1 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | Y101 N106 L131 I132 V136 M137 L138 | Y101-V134 HydrophobicContact CE2-CG2 4.14Å; N106-V134 HydrophobicContact CB-CG1 4.44Å; N106-V134 VanDerWaalsContact O-CG1 3.31Å; N106-V134 WeakPolarHBondContact O-CG1 3.43Å; L131-V134 WeakPolarHBondContact O-CB 3.37Å; L131-V134 PolarHBondContact O-N 2.8Å; L131-V134 VanDerWaalsContact O-N 3.08Å; I132-V134 VanDerWaalsContact C-N 3.28Å; I132-V134 PolarHBondContact O-N 3.15Å; V134-V136 VanDerWaalsContact C-N 3.33Å; V134-V136 PolarHBondContact O-N 2.84Å; V134-M137 PolarHBondContact O-N 2.93Å; V134-L138 HydrophobicContact CG1-CD1 3.95Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CB 3.48Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.48Å |
| 135 | I | 72.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.7 | -63.6 | 160 | 0 | 0 | 0 | 110.7 | F111 M112 L115 L127 L131 I132 L138 S139 F144 | F111-I135 HydrophobicContact CE1-CG1 3.92Å; M112-I135 HydrophobicContact SD-CG2 4.28Å; L115-I135 HydrophobicContact CD2-CD1 4.45Å; L115-I135 HydrophobicContact CD2-CG1 4.45Å; L127-I135 HydrophobicContact CD2-CD1 4.38Å; L131-I135 HydrophobicContact CB-CD1 4.21Å; L131-I135 WeakPolarHBondContact O-CG1 3.12Å; L131-I135 PolarHBondContact O-N 3.38Å; I132-I135 PolarHBondContact O-N 3.04Å; I135-L138 PolarHBondContact O-N 2.84Å; I135-S139 PolarHBondContact O-N 3.4Å; I135-S139 PolarHBondContact O-OG 3.36Å; I135-F144 HydrophobicContact CD1-CE2 4.12Å; I135-F144 HydrophobicContact CD1-CZ 4.46Å; I135-F144 HydrophobicContact CG2-CB 4.28Å; I135-F144 HydrophobicContact CG2-CD2 3.47Å; I135-F144 VanDerWaalsContact CG2-CD2 3.47Å; I135-F144 HydrophobicContact CG2-CE2 3.92Å; I135-F144 HydrophobicContact CG2-CG 3.96Å |
| 136 | V | 71.1 | Confident | 72.9 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.4 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | I132 V134 S140 V141 I172 | I132-V136 HydrophobicContact CG2-CG2 4.43Å; I132-V136 WeakPolarHBondContact O-CB 3.44Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.46Å; I132-V136 PolarHBondContact O-N 3.44Å; V134-V136 VanDerWaalsContact C-N 3.33Å; V134-V136 PolarHBondContact O-N 2.84Å; V136-S140 VanDerWaalsContact O-CA 3.26Å; V136-S140 WeakPolarHBondContact O-CA 3.46Å; V136-S140 PolarHBondContact O-N 3.33Å; V136-V141 HydrophobicContact CG1-CG2 3.59Å; V136-V141 HydrophobicContact CG2-CG2 4.39Å; V136-I172 HydrophobicContact CG2-CG2 4.24Å |
| 137 | M | 69.7 | Low | 72.3 | Confident | 162 Ų | 162 | 46.3 Ų | 46.3 | 80% | 0.798 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.5 | -41.7 | 175.8 | -171.3 | -167.8 | -61.7 | 0 | 0 | 112.1 | P133 V134 | P133-M137 VanDerWaalsContact O-CB 3.31Å; P133-M137 WeakPolarHBondContact O-CB 3.07Å; P133-M137 PolarHBondContact O-N 3.31Å; V134-M137 PolarHBondContact O-N 2.93Å |
| 138 | L | 67.3 | Low | 71.7 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -79.1 | -25.6 | -176.5 | -69.5 | 175.3 | 0 | 0 | 0 | 114.3 | F111 M112 V134 I135 | F111-L138 HydrophobicContact CB-CD1 4.21Å; F111-L138 HydrophobicContact CD1-CD1 4.01Å; F111-L138 HydrophobicContact CG-CD1 4.41Å; M112-L138 HydrophobicContact CG-CB 3.87Å; M112-L138 HydrophobicContact CG-CD1 4.36Å; M112-L138 HydrophobicContact SD-CB 4.17Å; V134-L138 HydrophobicContact CG1-CD1 3.95Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CB 3.48Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.48Å; I135-L138 PolarHBondContact O-N 2.84Å |
| 139 | S | 60.4 | Low | 71.1 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -133.9 | -5.5 | -169.7 | 69.5 | 0 | 0 | 0 | 0 | 116.6 | I135 F143 | I135-S139 PolarHBondContact O-N 3.4Å; I135-S139 PolarHBondContact O-OG 3.36Å; S139-F143 WeakPolarHBondContact O-CB 3.34Å |
| 140 | S | 65.9 | Low | 70.8 | Confident | 66 Ų | 66 | 54.7 Ų | 54.7 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | trans | 70.6 | 149.8 | -170.5 | 85.1 | 0 | 0 | 0 | 0 | 115.8 | V136 N142 F143 F144 | V136-S140 VanDerWaalsContact O-CA 3.26Å; V136-S140 WeakPolarHBondContact O-CA 3.46Å; V136-S140 PolarHBondContact O-N 3.33Å; S140-N142 PolarHBondContact O-N 3.49Å; S140-N142 VanDerWaalsContact O-N 3.16Å; S140-F143 PolarHBondContact O-N 2.96Å; S140-F143 VanDerWaalsContact O-N 3.12Å; S140-F144 PolarHBondContact O-N 2.84Å | ||
| 141 | V | 60.4 | Low | 70.5 | Confident | 55 Ų | 55 | 53 Ų | 53 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -52.3 | -37.6 | -178.3 | 178.6 | 0 | 0 | 0 | 0 | 113.1 | V136 T145 P179 | V136-V141 HydrophobicContact CG1-CG2 3.59Å; V136-V141 HydrophobicContact CG2-CG2 4.39Å; V141-T145 PolarHBondContact O-N 3.37Å; V141-T145 PolarHBondContact O-OG1 2.89Å; V141-P179 HydrophobicContact CG1-CB 4Å; V141-P179 HydrophobicContact CG1-CG 3.49Å; V141-P179 VanDerWaalsContact CG1-CG 3.49Å |
| 142 | N | 64 | Low | 70.6 | Confident | 113 Ų | 113 | 53 Ų | 53 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -78.7 | -26.6 | -175.8 | -67.1 | -7.9 | 0 | 0 | 0 | 113.1 | S140 K146 | S140-N142 PolarHBondContact O-N 3.49Å; S140-N142 VanDerWaalsContact O-N 3.16Å; N142-K146 WeakPolarHBondContact O-CG 3.49Å; N142-K146 PolarHBondContact O-N 2.81Å |
| 143 | F | 67.5 | Low | 70.9 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.8 | -47 | 174.4 | -176.5 | -92.8 | 0 | 0 | 0 | 110.4 | M112 S139 S140 T145 K146 L147 | M112-F143 HydrophobicContact CE-CD1 4.14Å; M112-F143 HydrophobicContact CE-CE1 3.73Å; S139-F143 WeakPolarHBondContact O-CB 3.34Å; S140-F143 PolarHBondContact O-N 2.96Å; S140-F143 VanDerWaalsContact O-N 3.12Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 3.13Å; F143-K146 PolarHBondContact O-N 2.77Å; F143-K146 VanDerWaalsContact O-N 3.16Å; F143-L147 HydrophobicContact CE1-CD1 3.8Å; F143-L147 HydrophobicContact CZ-CD1 4.37Å; F143-L147 WeakPolarHBondContact O-CB 3.4Å; F143-L147 PolarHBondContact O-N 3.48Å |
| 144 | F | 70.6 | Confident | 71.4 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | -180 | -172.2 | -125.3 | 0 | 0 | 0 | 112.4 | F75 I135 S140 L147 I148 V173 | F75-F144 HydrophobicContact CZ-CZ 4.18Å; I135-F144 HydrophobicContact CD1-CE2 4.12Å; I135-F144 HydrophobicContact CD1-CZ 4.46Å; I135-F144 HydrophobicContact CG2-CB 4.28Å; I135-F144 HydrophobicContact CG2-CD2 3.47Å; I135-F144 VanDerWaalsContact CG2-CD2 3.47Å; I135-F144 HydrophobicContact CG2-CE2 3.92Å; I135-F144 HydrophobicContact CG2-CG 3.96Å; S140-F144 PolarHBondContact O-N 2.84Å; F144-L147 PolarHBondContact O-N 3.44Å; F144-I148 HydrophobicContact CD1-CD1 3.99Å; F144-I148 HydrophobicContact CE1-CD1 3.75Å; F144-I148 HydrophobicContact CE2-CD1 4.37Å; F144-I148 HydrophobicContact CG-CD1 4.42Å; F144-I148 HydrophobicContact CZ-CD1 3.96Å; F144-I148 WeakPolarHBondContact O-CG1 3.43Å; F144-I148 PolarHBondContact O-N 3.44Å; F144-V173 HydrophobicContact CD1-CG2 4.43Å; F144-V173 HydrophobicContact CE1-CG2 4.15Å |
| 145 | T | 67.1 | Low | 72 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.1 | -38 | 174.2 | 27.9 | 0 | 0 | 0 | 0 | 113.8 | V141 F143 L147 I148 H149 P179 M180 | V141-T145 PolarHBondContact O-N 3.37Å; V141-T145 PolarHBondContact O-OG1 2.89Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 3.13Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.18Å; T145-I148 PolarHBondContact O-N 3.25Å; T145-H149 PolarHBondContact O-CD2 3.12Å; T145-H149 VanDerWaalsContact O-CD2 3.26Å; T145-H149 PolarHBondContact O-N 3.16Å; T145-P179 HydrophobicContact CG2-CB 3.72Å; T145-P179 HydrophobicContact CG2-CG 3.39Å; T145-M180 HydrophobicContact CG2-CE 4.37Å; T145-M180 HydrophobicContact CG2-CG 4.08Å |
| 146 | K | 69 | Low | 72.7 | Confident | 155 Ų | 155 | 50.3 Ų | 50.3 | 67% | 0.674 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 170.9 | -80.9 | -175.5 | 174.4 | -174.1 | 0 | 111.5 | N142 F143 H149 Q150 | N142-K146 WeakPolarHBondContact O-CG 3.49Å; N142-K146 PolarHBondContact O-N 2.81Å; F143-K146 PolarHBondContact O-N 2.77Å; F143-K146 VanDerWaalsContact O-N 3.16Å; K146-H149 PolarHBondContact O-N 3.18Å; K146-Q150 WeakPolarHBondContact O-CB 3.12Å; K146-Q150 PolarHBondContact O-N 2.64Å |
| 147 | L | 74.2 | Confident | 73.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.5 | -177.2 | 143.4 | 0 | 0 | 0 | 111.8 | F143 F144 T145 Q150 Y151 F152 | F143-L147 HydrophobicContact CE1-CD1 3.8Å; F143-L147 HydrophobicContact CZ-CD1 4.37Å; F143-L147 WeakPolarHBondContact O-CB 3.4Å; F143-L147 PolarHBondContact O-N 3.48Å; F144-L147 PolarHBondContact O-N 3.44Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 PolarHBondContact O-N 3.18Å; L147-Q150 PolarHBondContact O-N 3.41Å; L147-Y151 HydrophobicContact CG-CD2 4.15Å; L147-Y151 WeakPolarHBondContact O-CD2 3.39Å; L147-Y151 PolarHBondContact O-N 3.08Å; L147-Y151 VanDerWaalsContact O-N 3.14Å; L147-F152 HydrophobicContact CD2-CE2 3.8Å |
| 148 | I | 73.9 | Confident | 74.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -51.5 | 171.9 | -71 | 166.2 | 0 | 0 | 0 | 111.1 | F144 T145 Q150 F152 V155 M180 V207 | F144-I148 HydrophobicContact CD1-CD1 3.99Å; F144-I148 HydrophobicContact CE1-CD1 3.75Å; F144-I148 HydrophobicContact CE2-CD1 4.37Å; F144-I148 HydrophobicContact CG-CD1 4.42Å; F144-I148 HydrophobicContact CZ-CD1 3.96Å; F144-I148 WeakPolarHBondContact O-CG1 3.43Å; F144-I148 PolarHBondContact O-N 3.44Å; T145-I148 PolarHBondContact O-N 3.25Å; I148-Q150 VanDerWaalsContact C-N 3.3Å; I148-Q150 PolarHBondContact O-N 3.24Å; I148-F152 WeakPolarHBondContact O-CB 3.22Å; I148-F152 PolarHBondContact O-N 2.69Å; I148-V155 HydrophobicContact CG2-CG2 4.07Å; I148-M180 HydrophobicContact CG2-CE 4.41Å; I148-V207 HydrophobicContact CG2-CG1 4.38Å |
| 149 | H | 71.7 | Confident | 74.8 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.9 | -25.1 | -178.4 | -81.7 | -70.7 | 0 | 0 | 0 | 114.6 | T145 K146 M180 | T145-H149 PolarHBondContact O-CD2 3.12Å; T145-H149 VanDerWaalsContact O-CD2 3.26Å; T145-H149 PolarHBondContact O-N 3.16Å; K146-H149 PolarHBondContact O-N 3.18Å; H149-M180 VanDerWaalsContact NE2-CE 3.31Å; H149-M180 WeakPolarHBondContact NE2-CE 3.49Å |
| 150 | Q | 75.4 | Confident | 75.7 | Confident | 121 Ų | 121 | 38.6 Ų | 38.6 | 57% | 0.565 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -84.3 | -48.5 | -177.5 | -177.1 | 172 | 3.7 | 0 | 0 | 112.6 | K146 L147 I148 | K146-Q150 WeakPolarHBondContact O-CB 3.12Å; K146-Q150 PolarHBondContact O-N 2.64Å; L147-Q150 PolarHBondContact O-N 3.41Å; I148-Q150 VanDerWaalsContact C-N 3.3Å; I148-Q150 PolarHBondContact O-N 3.24Å |
| 151 | Y | 75.8 | Confident | 76.3 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -101.3 | -22.9 | -168.6 | -64.1 | -82.7 | 0 | 0 | 0 | 114.4 | Q71 V119 L147 | Q71-Y151 PolarHBondContact N-O 2.83Å; V119-Y151 HydrophobicContact CG1-CD1 4.25Å; V119-Y151 HydrophobicContact CG1-CG 4.13Å; L147-Y151 HydrophobicContact CG-CD2 4.15Å; L147-Y151 WeakPolarHBondContact O-CD2 3.39Å; L147-Y151 PolarHBondContact O-N 3.08Å; L147-Y151 VanDerWaalsContact O-N 3.14Å |
| 152 | F | 80.3 | Confident | 77.2 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147.7 | -171.2 | -58.6 | -92.8 | 0 | 0 | 0 | 112.4 | Q71 I73 V119 I125 L147 I148 | Q71-F152 HydrophobicContact CB-CD1 3.9Å; Q71-F152 HydrophobicContact CB-CE1 3.96Å; Q71-F152 VanDerWaalsContact O-CA 3.28Å; Q71-F152 WeakPolarHBondContact O-CA 3.43Å; I73-F152 HydrophobicContact CB-CD1 3.67Å; I73-F152 HydrophobicContact CB-CE1 3.71Å; I73-F152 HydrophobicContact CB-CG 4.37Å; I73-F152 HydrophobicContact CB-CZ 4.43Å; I73-F152 HydrophobicContact CG2-CB 4.47Å; I73-F152 HydrophobicContact CG2-CD1 3.89Å; I73-F152 HydrophobicContact CG2-CE1 4.39Å; I73-F152 HydrophobicContact CG2-CG 4.16Å; V119-F152 HydrophobicContact CG1-CZ 4.47Å; V119-F152 HydrophobicContact CG2-CZ 4.24Å; I125-F152 HydrophobicContact CD1-CE1 3.96Å; I125-F152 HydrophobicContact CD1-CZ 3.76Å; I125-F152 HydrophobicContact CG1-CE1 4.35Å; L147-F152 HydrophobicContact CD2-CE2 3.8Å; I148-F152 WeakPolarHBondContact O-CB 3.22Å; I148-F152 PolarHBondContact O-N 2.69Å |
| 153 | Y | 83.7 | Confident | 77.8 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -27.6 | 170.1 | 74.1 | -95.4 | 0 | 0 | 0 | 112.7 | M63 N67 K70 Q71 I72 R208 | M63-Y153 HydrophobicContact CB-CD2 3.84Å; M63-Y153 HydrophobicContact CB-CE2 3.37Å; M63-Y153 HydrophobicContact CG-CE2 4.39Å; M63-Y153 HydrophobicContact SD-CD2 4.29Å; M63-Y153 HydrophobicContact SD-CE2 4.25Å; N67-Y153 HydrophobicContact CB-CD1 4.47Å; N67-Y153 HydrophobicContact CB-CG 4.28Å; K70-Y153 HydrophobicContact CB-CD1 3.71Å; K70-Y153 HydrophobicContact CB-CG 4.36Å; K70-Y153 WeakPolarHBondContact O-CD1 3.44Å; K70-Y153 WeakPolarHBondContact O-CE1 3.35Å; Q71-Y153 WeakPolarHBondContact O-CD1 3.31Å; Q71-Y153 PolarHBondContact O-N 2.8Å; I72-Y153 HydrophobicContact CD1-CE1 4.32Å; I72-Y153 WeakPolarHBondContact CD1-OH 3.41Å; I72-Y153 HydrophobicContact CG1-CE1 3.79Å; I72-Y153 HydrophobicContact CG1-CE2 4.44Å; I72-Y153 WeakPolarHBondContact CG1-OH 3.46Å; Y153-R208 WeakPolarHBondContact O-CB 3.23Å; Y153-R208 PolarHBondContact O-N 3.03Å |
| 154 | L | 84.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.4 | -177.2 | 177.3 | 63.3 | 0 | 0 | 0 | 111.4 | L59 I60 I72 I73 V156 R208 L210 | L59-L154 HydrophobicContact CD2-CD1 3.9Å; L59-L154 HydrophobicContact CD2-CD2 4.09Å; I60-L154 HydrophobicContact CG1-CD2 4.24Å; I72-L154 HydrophobicContact CG1-CB 4.49Å; I72-L154 HydrophobicContact CG2-CD2 4.39Å; I72-L154 HydrophobicContact CG2-CG 4.49Å; I73-L154 PolarHBondContact N-O 3.29Å; I73-L154 VanDerWaalsContact N-O 3.1Å; L154-V156 HydrophobicContact CD1-CG2 4.45Å; L154-V156 HydrophobicContact CD2-CG2 4.19Å; L154-V156 HydrophobicContact CG-CG2 4.04Å; L154-R208 HydrophobicContact CD1-CB 3.93Å; L154-L210 HydrophobicContact CD1-CB 4.26Å |
| 155 | V | 87 | Confident | 78.2 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.4 | 171.7 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | I73 F75 I148 V157 V207 R208 I209 L210 | I73-V155 HydrophobicContact CG2-CB 4.08Å; I73-V155 HydrophobicContact CG2-CG1 4.18Å; I73-V155 HydrophobicContact CG2-CG2 3.66Å; I73-V155 WeakPolarHBondContact O-CA 3.16Å; F75-V155 HydrophobicContact CD2-CG1 4.38Å; F75-V155 HydrophobicContact CE2-CG1 4.11Å; I148-V155 HydrophobicContact CG2-CG2 4.07Å; V155-V157 HydrophobicContact CG1-CG2 4.14Å; V155-V207 HydrophobicContact CG2-CG1 3.66Å; V155-R208 PolarHBondContact N-O 3Å; V155-I209 HydrophobicContact CB-CG1 4.49Å; V155-I209 WeakPolarHBondContact O-CA 3.32Å; V155-L210 PolarHBondContact O-N 3.04Å |
| 156 | V | 87.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | V56 I73 Y74 F75 L154 L210 F212 | V56-V156 HydrophobicContact CG2-CG1 4.08Å; V56-V156 HydrophobicContact CG2-CG2 4.34Å; I73-V156 PolarHBondContact O-N 3.23Å; Y74-V156 WeakPolarHBondContact CA-O 3.43Å; Y74-V156 HydrophobicContact CD1-CB 4.48Å; Y74-V156 HydrophobicContact CD1-CG1 4.39Å; Y74-V156 HydrophobicContact CD2-CB 3.79Å; Y74-V156 HydrophobicContact CD2-CG1 3.81Å; Y74-V156 HydrophobicContact CD2-CG2 4.22Å; Y74-V156 HydrophobicContact CE1-CG1 4.16Å; Y74-V156 HydrophobicContact CE2-CB 4.14Å; Y74-V156 HydrophobicContact CE2-CG1 3.61Å; Y74-V156 HydrophobicContact CG-CB 3.96Å; Y74-V156 HydrophobicContact CG-CG1 4.18Å; F75-V156 PolarHBondContact N-O 3.3Å; L154-V156 HydrophobicContact CD1-CG2 4.45Å; L154-V156 HydrophobicContact CD2-CG2 4.19Å; L154-V156 HydrophobicContact CG-CG2 4.04Å; V156-L210 WeakPolarHBondContact CA-O 2.98Å; V156-F212 HydrophobicContact CG1-CD2 4.03Å; V156-F212 HydrophobicContact CG1-CE2 3.74Å |
| 157 | V | 86.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 111.8 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 109 | F75 V155 C160 L170 F174 L210 C211 F212 | F75-V157 HydrophobicContact CD2-CG2 4.15Å; V155-V157 HydrophobicContact CG1-CG2 4.14Å; V157-C160 HydrophobicContact CG1-CB 4.19Å; V157-L170 HydrophobicContact CG1-CD1 3.96Å; V157-L170 HydrophobicContact CG1-CD2 4.31Å; V157-F174 HydrophobicContact CG2-CE2 4.06Å; V157-F174 HydrophobicContact CG2-CZ 4.05Å; V157-L210 PolarHBondContact N-O 2.9Å; V157-C211 WeakPolarHBondContact O-CA 3.42Å; V157-F212 PolarHBondContact O-N 2.79Å |
| 158 | D | 83.7 | Confident | 78.8 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 152.9 | 168.1 | -158.9 | 17.6 | 0 | 0 | 0 | 111.6 | K52 Y74 F75 K80 C160 F212 | K52-D158 VanDerWaalsContact CE-OD1 3.32Å; K52-D158 WeakPolarHBondContact CE-OD1 3.33Å; K52-D158 VanDerWaalsContact NZ-CG 3.25Å; K52-D158 IonicContact NZ-OD1 2.79Å; K52-D158 PolarHBondContact NZ-OD1 2.91Å; K52-D158 IonicContact NZ-OD2 2.64Å; K52-D158 PolarHBondContact NZ-OD2 3.27Å; Y74-D158 HydrophobicContact CE1-CB 4.28Å; F75-D158 PolarHBondContact O-N 3.42Å; F75-D158 VanDerWaalsContact O-N 3.11Å; K80-D158 IonicContact NZ-OD2 2.64Å; K80-D158 PolarHBondContact NZ-OD2 2.93Å; D158-C160 VanDerWaalsContact C-N 3.29Å; D158-C160 PolarHBondContact O-N 3.25Å; D158-F212 WeakPolarHBondContact OD1-CB 3.44Å |
| 159 | E | 81 | Confident | 78.8 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 48.7 | -176.6 | -59.2 | -50.7 | 148.1 | 0 | 0 | 115 | K52 H161 M162 F212 S214 | K52-E159 IonicContact NZ-OE1 3.38Å; K52-E159 PolarHBondContact NZ-OE1 2.99Å; E159-H161 PolarHBondContact O-N 3.39Å; E159-H161 IonicContact OE2-CE1 2.75Å; E159-H161 PolarHBondContact OE2-CE1 2.81Å; E159-H161 VanDerWaalsContact OE2-CE1 3.25Å; E159-H161 IonicContact OE2-ND1 3.58Å; E159-H161 PolarHBondContact OE2-ND1 2.88Å; E159-H161 VanDerWaalsContact OE2-ND1 3.07Å; E159-M162 WeakPolarHBondContact O-CG 3.22Å; E159-M162 PolarHBondContact O-N 2.82Å; E159-M162 VanDerWaalsContact O-N 3.1Å; E159-F212 CarbonylContact C-O 3.58Å; E159-F212 WeakPolarHBondContact CA-O 3.48Å; E159-F212 PolarHBondContact N-O 2.78Å; E159-F212 VanDerWaalsContact N-O 3.11Å; E159-S214 VanDerWaalsContact OE1-CB 3.23Å; E159-S214 WeakPolarHBondContact OE1-CB 3.19Å; E159-S214 PolarHBondContact OE1-N 3.49Å; E159-S214 PolarHBondContact OE1-OG 3.47Å; E159-S214 WeakPolarHBondContact OE2-CB 3.29Å; E159-S214 PolarHBondContact OE2-N 3.39Å; E159-S214 PolarHBondContact OE2-OG 2.69Å |
| 160 | C | 79.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.1 | -14.9 | -177.3 | 75.6 | 0 | 0 | 0 | 0 | 114.7 | V157 D158 M162 V163 C211 F212 L234 | V157-C160 HydrophobicContact CG1-CB 4.19Å; D158-C160 VanDerWaalsContact C-N 3.29Å; D158-C160 PolarHBondContact O-N 3.25Å; C160-M162 PolarHBondContact O-N 2.73Å; C160-V163 VanDerWaalsContact O-CB 3.27Å; C160-V163 WeakPolarHBondContact O-CB 3.25Å; C160-V163 VanDerWaalsContact O-CG2 3.31Å; C160-V163 WeakPolarHBondContact O-CG2 3.43Å; C160-V163 PolarHBondContact O-N 3.23Å; C160-V163 VanDerWaalsContact O-N 3.12Å; C160-C211 HydrophobicContact CB-CB 3.69Å; C160-F212 PolarHBondContact N-O 3.17Å; C160-F212 PolarHBondContact SG-O 3.43Å; C160-L234 WeakPolarHBondContact O-CD1 3.3Å |
| 161 | H | 78.7 | Confident | 78.9 | Confident | 46 Ų | 46 | 25.4 Ų | 25.4 | 21% | 0.213 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -60.5 | -26.8 | 176.6 | 74.7 | -93.7 | 0 | 0 | 0 | 112.6 | E159 V163 L164 | E159-H161 PolarHBondContact O-N 3.39Å; E159-H161 IonicContact OE2-CE1 2.75Å; E159-H161 PolarHBondContact OE2-CE1 2.81Å; E159-H161 VanDerWaalsContact OE2-CE1 3.25Å; E159-H161 IonicContact OE2-ND1 3.58Å; E159-H161 PolarHBondContact OE2-ND1 2.88Å; E159-H161 VanDerWaalsContact OE2-ND1 3.07Å; H161-V163 PolarHBondContact O-N 3.06Å; H161-L164 WeakPolarHBondContact O-CB 3.29Å; H161-L164 WeakPolarHBondContact O-CG 3.45Å; H161-L164 PolarHBondContact O-N 3.47Å |
| 162 | M | 78 | Confident | 78.7 | Confident | 44 Ų | 44 | 26 Ų | 26 | 22% | 0.217 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -68.2 | -8.8 | 176 | -55.9 | -175.4 | 81.5 | 0 | 0 | 113.6 | E159 C160 L164 D165 H168 | E159-M162 WeakPolarHBondContact O-CG 3.22Å; E159-M162 PolarHBondContact O-N 2.82Å; E159-M162 VanDerWaalsContact O-N 3.1Å; C160-M162 PolarHBondContact O-N 2.73Å; M162-L164 PolarHBondContact O-N 2.7Å; M162-D165 PolarHBondContact O-N 2.81Å; M162-H168 HydrophobicContact CB-CB 4.48Å; M162-H168 WeakPolarHBondContact CB-ND1 2.88Å; M162-H168 WeakPolarHBondContact O-CB 3.36Å |
| 163 | V | 76.9 | Confident | 78.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -65.1 | -15.6 | 167.6 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | C160 H161 L170 F174 R237 | C160-V163 VanDerWaalsContact O-CB 3.27Å; C160-V163 WeakPolarHBondContact O-CB 3.25Å; C160-V163 VanDerWaalsContact O-CG2 3.31Å; C160-V163 WeakPolarHBondContact O-CG2 3.43Å; C160-V163 PolarHBondContact O-N 3.23Å; C160-V163 VanDerWaalsContact O-N 3.12Å; H161-V163 PolarHBondContact O-N 3.06Å; V163-L170 HydrophobicContact CG2-CB 3.8Å; V163-L170 HydrophobicContact CG2-CD1 4.26Å; V163-F174 HydrophobicContact CG1-CB 3.65Å; V163-F174 HydrophobicContact CG2-CB 4.14Å; V163-F174 HydrophobicContact CG2-CD2 4.2Å; V163-F174 HydrophobicContact CG2-CG 4.48Å; V163-R237 HydrophobicContact CG1-CB 3.8Å; V163-R237 HydrophobicContact CG1-CG 4.5Å; V163-R237 WeakPolarHBondContact O-CD 3.43Å; V163-R237 PolarHBondContact O-NH1 3.39Å |
| 164 | L | 74.2 | Confident | 77.8 | Confident | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.12 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -74.1 | -31.6 | 174.7 | -65.6 | 174.2 | 0 | 0 | 0 | 112.5 | H161 M162 R230 T233 L234 R237 | H161-L164 WeakPolarHBondContact O-CB 3.29Å; H161-L164 WeakPolarHBondContact O-CG 3.45Å; H161-L164 PolarHBondContact O-N 3.47Å; M162-L164 PolarHBondContact O-N 2.7Å; L164-R230 HydrophobicContact CD1-CG 3.67Å; L164-R230 VanDerWaalsContact CD1-CZ 3.45Å; L164-T233 HydrophobicContact CD2-CG2 3.82Å; L164-L234 HydrophobicContact CD2-CB 4.24Å; L164-L234 HydrophobicContact CD2-CD1 4.48Å; L164-L234 HydrophobicContact CG-CD1 4.22Å; L164-R237 VanDerWaalsContact C-NH1 3.31Å; L164-R237 VanDerWaalsContact CA-NH1 3.33Å; L164-R237 PolarHBondContact O-NH1 3.31Å |
| 165 | D | 73.8 | Confident | 76.8 | Confident | 59 Ų | 59 | 26.1 Ų | 26.1 | 32% | 0.316 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -85.9 | 125 | -171.5 | -52.9 | -43.5 | 0 | 0 | 0 | 110.9 | M162 N167 H168 | M162-D165 PolarHBondContact O-N 2.81Å; D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.1Å; D165-H168 PolarHBondContact O-N 3.5Å |
| 166 | S | 69.8 | Low | 75.3 | Confident | 99 Ų | 99 | 31.1 Ų | 31.1 | 69% | 0.692 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.4 | -171.4 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 167 | N | 73.1 | Confident | 73.7 | Confident | 102 Ų | 102 | 38.3 Ų | 38.3 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.9 | -170.2 | -58.2 | 9 | 0 | 0 | 0 | 112.7 | D165 T716 | D165-N167 PolarHBondContact O-N 2.91Å; D165-N167 VanDerWaalsContact O-N 3.1Å; N167-T716 HydrophobicContact CB-CG2 4.48Å |
| 168 | H | 80.2 | Confident | 72.5 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -89.5 | 135.1 | -177.1 | -166.1 | -111.2 | 0 | 0 | 0 | 111.5 | M162 D165 L170 S171 | M162-H168 HydrophobicContact CB-CB 4.48Å; M162-H168 WeakPolarHBondContact CB-ND1 2.88Å; M162-H168 WeakPolarHBondContact O-CB 3.36Å; D165-H168 PolarHBondContact O-N 3.5Å; H168-L170 PolarHBondContact O-N 2.8Å; H168-S171 WeakPolarHBondContact O-CB 3.35Å; H168-S171 PolarHBondContact O-N 2.9Å |
| 169 | P | 73.4 | Confident | 71.1 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.045 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.3 | -174.4 | 19.4 | -34.3 | 0 | 0 | 0 | 115.7 | P129 W130 I132 P133 S171 I172 | P129-P169 HydrophobicContact CB-CG 4.03Å; P129-P169 VanDerWaalsContact O-CB 3.3Å; P129-P169 WeakPolarHBondContact O-CB 3.4Å; P129-P169 WeakPolarHBondContact O-CG 3.3Å; W130-P169 HydrophobicContact CD2-CG 4.25Å; W130-P169 HydrophobicContact CE3-CG 4.49Å; W130-P169 HydrophobicContact CG-CG 4.47Å; I132-P169 HydrophobicContact CB-CB 4.47Å; P133-P169 HydrophobicContact CG-CB 3.82Å; P169-S171 PolarHBondContact O-N 2.88Å; P169-I172 WeakPolarHBondContact O-CB 3.43Å; P169-I172 PolarHBondContact O-N 2.87Å |
| 170 | L | 76.8 | Confident | 69.9 | Low | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -25.4 | 172.9 | -65 | 175.2 | 0 | 0 | 0 | 112.9 | P129 I132 V157 V163 H168 I172 V173 F174 | P129-L170 HydrophobicContact CB-CD2 4.3Å; P129-L170 HydrophobicContact CB-CG 4.3Å; I132-L170 HydrophobicContact CD1-CD2 3.81Å; V157-L170 HydrophobicContact CG1-CD1 3.96Å; V157-L170 HydrophobicContact CG1-CD2 4.31Å; V163-L170 HydrophobicContact CG2-CB 3.8Å; V163-L170 HydrophobicContact CG2-CD1 4.26Å; H168-L170 PolarHBondContact O-N 2.8Å; L170-I172 PolarHBondContact O-N 2.77Å; L170-V173 PolarHBondContact O-N 2.95Å; L170-F174 PolarHBondContact O-N 3.48Å |
| 171 | S | 72.4 | Confident | 68.5 | Low | 25 Ų | 25 | 41.5 Ų | 41.5 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -21.7 | 174.2 | -168.4 | 0 | 0 | 0 | 0 | 112.9 | H168 P169 G175 | H168-S171 WeakPolarHBondContact O-CB 3.35Å; H168-S171 PolarHBondContact O-N 2.9Å; P169-S171 PolarHBondContact O-N 2.88Å; S171-G175 WeakPolarHBondContact O-CA 3.3Å; S171-G175 PolarHBondContact O-N 2.72Å |
| 172 | I | 72.1 | Confident | 67 | Low | 72 Ų | 72 | 46.3 Ų | 46.3 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72 | -32.3 | 176.7 | -57.4 | 173.6 | 0 | 0 | 0 | 111.2 | I132 P133 V136 P169 L170 | I132-I172 HydrophobicContact CG2-CB 4.34Å; P133-I172 HydrophobicContact CB-CD1 4.25Å; P133-I172 HydrophobicContact CG-CD1 3.88Å; V136-I172 HydrophobicContact CG2-CG2 4.24Å; P169-I172 WeakPolarHBondContact O-CB 3.43Å; P169-I172 PolarHBondContact O-N 2.87Å; L170-I172 PolarHBondContact O-N 2.77Å |
| 173 | V | 70.8 | Confident | 65.3 | Low | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -95.3 | -38.9 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | I132 F144 L170 G178 M180 | I132-V173 HydrophobicContact CD1-CG2 4.41Å; I132-V173 HydrophobicContact CG2-CG2 3.59Å; F144-V173 HydrophobicContact CD1-CG2 4.43Å; F144-V173 HydrophobicContact CE1-CG2 4.15Å; L170-V173 PolarHBondContact O-N 2.95Å; V173-G178 WeakPolarHBondContact O-CA 3.46Å; V173-M180 HydrophobicContact CG1-CG 3.92Å |
| 174 | F | 73 | Confident | 63.4 | Low | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -111.9 | 10.5 | -175.4 | -57.7 | -74.1 | 0 | 0 | 0 | 114 | V157 V163 L170 M180 I209 R237 | V157-F174 HydrophobicContact CG2-CE2 4.06Å; V157-F174 HydrophobicContact CG2-CZ 4.05Å; V163-F174 HydrophobicContact CG1-CB 3.65Å; V163-F174 HydrophobicContact CG2-CB 4.14Å; V163-F174 HydrophobicContact CG2-CD2 4.2Å; V163-F174 HydrophobicContact CG2-CG 4.48Å; L170-F174 PolarHBondContact O-N 3.48Å; F174-M180 HydrophobicContact CE1-CG 4.5Å; F174-M180 HydrophobicContact CE1-SD 4.5Å; F174-I209 HydrophobicContact CE1-CD1 4.34Å; F174-R237 WeakPolarHBondContact O-CB 3.45Å |
| 175 | G | 64.4 | Low | 61.4 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -73.7 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S171 N177 G178 L181 | S171-G175 WeakPolarHBondContact O-CA 3.3Å; S171-G175 PolarHBondContact O-N 2.72Å; G175-N177 PolarHBondContact O-N 2.74Å; G175-N177 VanDerWaalsContact O-N 3.1Å; G175-G178 PolarHBondContact O-N 3.46Å; G175-L181 WeakPolarHBondContact O-CD1 3.41Å |
| 176 | P | 55.8 | Low | 59.5 | Low | 107 Ų | 107 | 65.2 Ų | 65.2 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | -176.3 | 25.5 | -35 | 0 | 0 | 0 | 114.6 | ||
| 177 | N | 54 | Low | 57.5 | Low | 152 Ų | 152 | 69.4 Ų | 69.4 | 81% | 0.813 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 16.9 | 175.1 | -60.6 | -4.5 | 0 | 0 | 0 | 112 | G175 | G175-N177 PolarHBondContact O-N 2.74Å; G175-N177 VanDerWaalsContact O-N 3.1Å |
| 178 | G | 59.9 | Low | 55.4 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | trans | -70.9 | 136.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V173 G175 M180 L181 | V173-G178 WeakPolarHBondContact O-CA 3.46Å; G175-G178 PolarHBondContact O-N 3.46Å; G178-M180 PolarHBondContact O-N 3.2Å; G178-L181 PolarHBondContact O-N 3.44Å | ||
| 179 | P | 54.9 | Low | 53 | Low | 19 Ų | 19 | 73 Ų | 73 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -65.7 | -22.8 | -172.9 | 30.9 | -41.7 | 0 | 0 | 0 | 113.9 | V141 T145 L181 Q182 | V141-P179 HydrophobicContact CG1-CB 4Å; V141-P179 HydrophobicContact CG1-CG 3.49Å; V141-P179 VanDerWaalsContact CG1-CG 3.49Å; T145-P179 HydrophobicContact CG2-CB 3.72Å; T145-P179 HydrophobicContact CG2-CG 3.39Å; P179-L181 PolarHBondContact O-N 2.93Å; P179-Q182 PolarHBondContact O-N 3.08Å |
| 180 | M | 56.5 | Low | 50.7 | Low | 30 Ų | 30 | 79.2 Ų | 79.2 | 15% | 0.148 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -64.9 | -18.5 | 178.2 | -68.5 | -108.6 | 71.8 | 0 | 0 | 113.4 | T145 I148 H149 V173 F174 G178 | T145-M180 HydrophobicContact CG2-CE 4.37Å; T145-M180 HydrophobicContact CG2-CG 4.08Å; I148-M180 HydrophobicContact CG2-CE 4.41Å; H149-M180 VanDerWaalsContact NE2-CE 3.31Å; H149-M180 WeakPolarHBondContact NE2-CE 3.49Å; V173-M180 HydrophobicContact CG1-CG 3.92Å; F174-M180 HydrophobicContact CE1-CG 4.5Å; F174-M180 HydrophobicContact CE1-SD 4.5Å; G178-M180 PolarHBondContact O-N 3.2Å |
| 181 | L | 49.3 | Very low | 48.3 | Very low | 53 Ų | 53 | 83.2 Ų | 83.2 | 28% | 0.277 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -88 | -17.2 | -176.8 | -83.6 | 160.1 | 0 | 0 | 0 | 114.8 | G175 G178 P179 S239 | G175-L181 WeakPolarHBondContact O-CD1 3.41Å; G178-L181 PolarHBondContact O-N 3.44Å; P179-L181 PolarHBondContact O-N 2.93Å; L181-S239 VanDerWaalsContact CD2-OG 3.24Å; L181-S239 WeakPolarHBondContact CD2-OG 3.49Å |
| 182 | Q | 46.9 | Very low | 46.1 | Very low | 147 Ų | 147 | 89 Ų | 89 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.8 | -168.7 | -69.9 | -174.1 | -19.6 | 0 | 0 | 114.9 | P179 T184 | P179-Q182 PolarHBondContact O-N 3.08Å; Q182-T184 PolarHBondContact O-N 2.94Å |
| 183 | N | 43.5 | Very low | 44 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 24.7 | -176.1 | -70.1 | -24.6 | 0 | 0 | 0 | 114.3 | ||
| 184 | T | 37.4 | Very low | 41.8 | Very low | 76 Ų | 76 | 104.7 Ų | 104.7 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | trans | -140.6 | 77.4 | 174.4 | 55 | 0 | 0 | 0 | 0 | 112 | Q182 D186 | Q182-T184 PolarHBondContact O-N 2.94Å; T184-D186 PolarHBondContact O-N 2.7Å | ||
| 185 | E | 32.3 | Very low | 39.6 | Very low | 163 Ų | 163 | 111.1 Ų | 111.1 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | trans | -79.5 | 104.5 | 167.6 | -65.2 | -167.4 | 144.5 | 0 | 0 | 110.8 | ||||
| 186 | D | 33 | Very low | 37.6 | Very low | 166 Ų | 166 | 118.9 Ų | 118.9 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | trans | -81 | 111.1 | 162.3 | -85.4 | -34.9 | 0 | 0 | 0 | 109.1 | T184 | T184-D186 PolarHBondContact O-N 2.7Š| ||
| 187 | F | 28.3 | Very low | 36.1 | Very low | 186 Ų | 186 | 118.1 Ų | 118.1 | 82% | 0.816 | 64% | 0.641 | S | S | * | * | trans | -65.2 | 131.4 | 177.5 | -102.9 | -104.8 | 0 | 0 | 0 | 112.3 | ||||
| 188 | G | 28.2 | Very low | 34.7 | Very low | 56 Ų | 56 | 118.3 Ų | 118.3 | 58% | 0.577 | 64% | 0.642 | S | S | * | * | trans | -69.9 | 137.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | T190 | G188-T190 PolarHBondContact O-N 2.78Å; G188-T190 VanDerWaalsContact O-N 3.13Å | ||
| 189 | P | 30.8 | Very low | 33 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -84.9 | 90.1 | -170.2 | 32.9 | -36.5 | 0 | 0 | 0 | 113.5 | ||||
| 190 | T | 24.5 | Very low | 31.6 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -140.8 | 139.8 | 167 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | G188 | G188-T190 PolarHBondContact O-N 2.78Å; G188-T190 VanDerWaalsContact O-N 3.13Å | ||
| 191 | A | 26.1 | Very low | 30.2 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 79.1 | 104.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 192 | T | 26.4 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | 65.9 | 135.3 | 138.9 | 47 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 193 | R | 27.1 | Very low | 28.5 | Very low | 238 Ų | 238 | 139.6 Ų | 139.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -85.2 | 145.4 | 169.4 | -62.7 | 169.7 | 168 | 173.9 | -6.6 | 111.1 | ||||
| 194 | Q | 25.3 | Very low | 28.1 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 179.6 | 131.5 | 116.4 | -102.7 | 175.5 | -10 | 0 | 0 | 112.9 | |||||
| 195 | N | 26.4 | Very low | 28.6 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 58.4 | 166.1 | 156.5 | -51.5 | -6.3 | 0 | 0 | 0 | 118.5 | ||||
| 196 | M | 23.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | -147 | 157.4 | -54.1 | -99.6 | -148.8 | 71.6 | 0 | 0 | 107.5 | |||||
| 197 | S | 24.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | 19.9 | 116.6 | 162.1 | 55.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 198 | D | 24.6 | Very low | 34.4 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | -161.2 | 178.1 | 113.9 | -112 | -28.1 | 0 | 0 | 0 | 114.8 | |||||
| 199 | F | 24.2 | Very low | 37.2 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | trans | -64.7 | 162.8 | -163.3 | -90.8 | -110.7 | 0 | 0 | 0 | 118.8 | ||||
| 200 | N | 25.1 | Very low | 39.8 | Very low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 63% | 0.633 | S | S | * | * | trans | 64.3 | 98 | 153.9 | -65.6 | -20.1 | 0 | 0 | 0 | 119.6 | ||||
| 201 | V | 26.8 | Very low | 42.8 | Very low | 140 Ų | 140 | 109.7 Ų | 109.7 | 85% | 0.848 | 59% | 0.594 | S | S | * | * | trans | -127.7 | 96.1 | 160 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 202 | S | 28 | Very low | 45.6 | Very low | 84 Ų | 84 | 105.5 Ų | 105.5 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | trans | 8.4 | 128.8 | 157.9 | 60.4 | 0 | 0 | 0 | 0 | 121.4 | T204 | S202-T204 PolarHBondContact O-N 3.11Å; S202-T204 VanDerWaalsContact O-N 3.07Å | ||
| 203 | V | 32.3 | Very low | 48 | Very low | 155 Ų | 155 | 98.5 Ų | 98.5 | 94% | 0.939 | 52% | 0.517 | S | S | * | . | trans | -76 | 84.3 | 159.2 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 204 | T | 35.5 | Very low | 49.9 | Very low | 114 Ų | 114 | 89.5 Ų | 89.5 | 70% | 0.699 | 49% | 0.49 | S | S | * | . | trans | -91 | 104.6 | 169.4 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | S202 K206 | S202-T204 PolarHBondContact O-N 3.11Å; S202-T204 VanDerWaalsContact O-N 3.07Å; T204-K206 PolarHBondContact O-N 2.86Å | ||
| 205 | G | 47.4 | Very low | 51.8 | Low | 36 Ų | 36 | 83.6 Ų | 83.6 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | trans | -60.4 | 118.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V207 | G205-V207 PolarHBondContact O-N 3.1Š| ||
| 206 | K | 60.1 | Low | 53.5 | Low | 165 Ų | 165 | 77.9 Ų | 77.9 | 72% | 0.717 | 44% | 0.44 | S | S | * | . | trans | -87.6 | 108.2 | -175.5 | -156.5 | 167.2 | -171.1 | 170.1 | 0 | 110.7 | T204 | T204-K206 PolarHBondContact O-N 2.86Š| ||
| 207 | V | 73.8 | Confident | 55.4 | Low | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | trans | -58.2 | 136.9 | -177.9 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | I148 V155 G205 | I148-V207 HydrophobicContact CG2-CG1 4.38Å; V155-V207 HydrophobicContact CG2-CG1 3.66Å; G205-V207 PolarHBondContact O-N 3.1Å | ||
| 208 | R | 82.6 | Confident | 57.2 | Low | 62 Ų | 62 | 69.6 Ų | 69.6 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 140.4 | 176.7 | -63.2 | -60.7 | -165.9 | 102.4 | 9.3 | 111.4 | A37 Y38 M63 Y153 L154 V155 | A37-R208 PolarHBondContact O-NH1 2.98Å; Y38-R208 PolarHBondContact O-NH1 3.41Å; Y38-R208 PolarHBondContact O-NH2 3.37Å; M63-R208 HydrophobicContact CE-CB 4.45Å; M63-R208 HydrophobicContact CE-CG 3.81Å; M63-R208 HydrophobicContact SD-CB 4.29Å; M63-R208 HydrophobicContact SD-CG 3.84Å; Y153-R208 WeakPolarHBondContact O-CB 3.23Å; Y153-R208 PolarHBondContact O-N 3.03Å; L154-R208 HydrophobicContact CD1-CB 3.93Å; V155-R208 PolarHBondContact N-O 3Å |
| 209 | I | 85.5 | Confident | 58.9 | Low | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.9 | 175.5 | -50.9 | 175 | 0 | 0 | 0 | 109 | N41 T42 V155 F174 C240 | N41-I209 VanDerWaalsContact CA-O 3.26Å; N41-I209 WeakPolarHBondContact CA-O 3.25Å; N41-I209 HydrophobicContact CB-CB 4.31Å; N41-I209 PolarHBondContact OD1-N 2.97Å; T42-I209 PolarHBondContact N-O 2.82Å; V155-I209 HydrophobicContact CB-CG1 4.49Å; V155-I209 WeakPolarHBondContact O-CA 3.32Å; F174-I209 HydrophobicContact CE1-CD1 4.34Å; I209-C240 VanDerWaalsContact CG2-SG 3.6Å |
| 210 | L | 86.9 | Confident | 60.5 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.1 | 172.5 | -179.3 | 64.4 | 0 | 0 | 0 | 108.9 | A37 I44 V56 L59 L154 V155 V156 V157 F212 | A37-L210 HydrophobicContact CB-CD1 4.05Å; I44-L210 HydrophobicContact CD1-CD1 3.94Å; I44-L210 HydrophobicContact CG1-CD1 4.25Å; V56-L210 HydrophobicContact CG2-CD2 4.2Å; L59-L210 HydrophobicContact CD2-CD2 4Å; L154-L210 HydrophobicContact CD1-CB 4.26Å; V155-L210 PolarHBondContact O-N 3.04Å; V156-L210 WeakPolarHBondContact CA-O 2.98Å; V157-L210 PolarHBondContact N-O 2.9Å; L210-F212 HydrophobicContact CD2-CE1 4.46Å; L210-F212 HydrophobicContact CD2-CE2 3.92Å; L210-F212 HydrophobicContact CD2-CZ 3.62Å; L210-F212 HydrophobicContact CG-CE2 4.21Å; L210-F212 HydrophobicContact CG-CZ 4.05Å |
| 211 | C | 86 | Confident | 62.4 | Low | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.6 | -178.6 | -69 | 0 | 0 | 0 | 0 | 110.9 | T42 I43 I44 V157 C160 | T42-C211 PolarHBondContact O-N 3.46Å; I43-C211 CarbonylContact C-O 3.39Å; I43-C211 WeakPolarHBondContact CA-O 3.14Å; I43-C211 HydrophobicContact CB-CB 4.39Å; I43-C211 HydrophobicContact CG1-CB 4.03Å; I43-C211 HydrophobicContact CG2-CB 4.38Å; I44-C211 PolarHBondContact N-O 3.45Å; V157-C211 WeakPolarHBondContact O-CA 3.42Å; C160-C211 HydrophobicContact CB-CB 3.69Å |
| 212 | F | 84.8 | Confident | 64.1 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 149.5 | 171.8 | -64.2 | -67 | 0 | 0 | 0 | 111.7 | I44 K52 F55 V56 V156 V157 D158 E159 C160 L210 | I44-F212 HydrophobicContact CB-CD1 3.93Å; I44-F212 HydrophobicContact CB-CE1 4.04Å; I44-F212 HydrophobicContact CD1-CE1 4.25Å; I44-F212 HydrophobicContact CG2-CD1 4.23Å; I44-F212 HydrophobicContact CG2-CE1 4.25Å; I44-F212 WeakPolarHBondContact O-CA 3.25Å; K52-F212 HydrophobicContact CB-CD1 4.19Å; K52-F212 HydrophobicContact CB-CD2 4.21Å; K52-F212 HydrophobicContact CB-CE1 4.15Å; K52-F212 HydrophobicContact CB-CE2 4.16Å; K52-F212 HydrophobicContact CB-CG 4.22Å; K52-F212 HydrophobicContact CB-CZ 4.12Å; K52-F212 HydrophobicContact CD-CB 4.02Å; K52-F212 HydrophobicContact CD-CD2 4.44Å; K52-F212 HydrophobicContact CD-CG 4.1Å; K52-F212 HydrophobicContact CG-CB 4.19Å; K52-F212 HydrophobicContact CG-CD1 3.82Å; K52-F212 HydrophobicContact CG-CD2 4.28Å; K52-F212 HydrophobicContact CG-CE1 4.24Å; K52-F212 HydrophobicContact CG-CG 3.84Å; K52-F212 WeakPolarHBondContact O-CZ 3.49Å; F55-F212 HydrophobicContact CB-CE1 4.16Å; F55-F212 HydrophobicContact CB-CZ 3.96Å; F55-F212 HydrophobicContact CD2-CE1 4.01Å; F55-F212 HydrophobicContact CG-CE1 4.45Å; V56-F212 HydrophobicContact CG2-CE2 3.6Å; V56-F212 HydrophobicContact CG2-CZ 3.84Å; V156-F212 HydrophobicContact CG1-CD2 4.03Å; V156-F212 HydrophobicContact CG1-CE2 3.74Å; V157-F212 PolarHBondContact O-N 2.79Å; D158-F212 WeakPolarHBondContact OD1-CB 3.44Å; E159-F212 CarbonylContact C-O 3.58Å; E159-F212 WeakPolarHBondContact CA-O 3.48Å; E159-F212 PolarHBondContact N-O 2.78Å; E159-F212 VanDerWaalsContact N-O 3.11Å; C160-F212 PolarHBondContact N-O 3.17Å; C160-F212 PolarHBondContact SG-O 3.43Å; L210-F212 HydrophobicContact CD2-CE1 4.46Å; L210-F212 HydrophobicContact CD2-CE2 3.92Å; L210-F212 HydrophobicContact CD2-CZ 3.62Å; L210-F212 HydrophobicContact CG-CE2 4.21Å; L210-F212 HydrophobicContact CG-CZ 4.05Å |
| 213 | T | 77.8 | Confident | 66.3 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 135 | 171.4 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | I43 I44 C45 S46 A215 L216 | I43-T213 HydrophobicContact CG2-CG2 3.82Å; I44-T213 PolarHBondContact O-N 3.42Å; I44-T213 VanDerWaalsContact O-N 3.14Å; C45-T213 CarbonylContact C-O 3.47Å; C45-T213 WeakPolarHBondContact CA-O 3.44Å; C45-T213 HydrophobicContact CB-CG2 4.29Å; S46-T213 CarbonylContact C-O 3.57Å; S46-T213 PolarHBondContact N-O 3.48Å; T213-A215 PolarHBondContact OG1-N 3.23Å; T213-A215 PolarHBondContact OG1-O 3.39Å; T213-L216 HydrophobicContact CG2-CD2 3.76Å; T213-L216 HydrophobicContact CG2-CG 4.21Å |
| 214 | S | 67.5 | Low | 68.1 | Low | 48 Ų | 48 | 52 Ų | 52 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -78.6 | -32.5 | 174 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | E159 | E159-S214 VanDerWaalsContact OE1-CB 3.23Å; E159-S214 WeakPolarHBondContact OE1-CB 3.19Å; E159-S214 PolarHBondContact OE1-N 3.49Å; E159-S214 PolarHBondContact OE1-OG 3.47Å; E159-S214 WeakPolarHBondContact OE2-CB 3.29Å; E159-S214 PolarHBondContact OE2-N 3.39Å; E159-S214 PolarHBondContact OE2-OG 2.69Å |
| 215 | A | 63.8 | Low | 70 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | trans | -142 | 110.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | T213 L217 | T213-A215 PolarHBondContact OG1-N 3.23Å; T213-A215 PolarHBondContact OG1-O 3.39Å; A215-L217 VanDerWaalsContact C-N 3.34Å | ||
| 216 | L | 62.9 | Low | 71.5 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70.3 | -28.7 | 176.1 | -75.6 | 168.9 | 0 | 0 | 0 | 113.7 | C45 T213 L231 L242 T244 | C45-L216 HydrophobicContact CB-CD1 3.77Å; C45-L216 HydrophobicContact CB-CG 4.07Å; T213-L216 HydrophobicContact CG2-CD2 3.76Å; T213-L216 HydrophobicContact CG2-CG 4.21Å; L216-L231 HydrophobicContact CB-CD2 4.2Å; L216-L231 HydrophobicContact CD2-CD2 3.9Å; L216-L242 HydrophobicContact CD1-CD1 4.19Å; L216-L242 HydrophobicContact CD1-CD2 4.19Å; L216-L242 HydrophobicContact CD2-CD1 3.68Å; L216-L242 HydrophobicContact CD2-CD2 4.04Å; L216-T244 HydrophobicContact CD1-CG2 3.43Å; L216-T244 VanDerWaalsContact CD1-CG2 3.43Å |
| 217 | L | 64.1 | Low | 72.1 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -134.8 | 130 | -178.6 | -63.1 | 174.4 | 0 | 0 | 0 | 108.9 | A215 I221 A227 L813 L902 | A215-L217 VanDerWaalsContact C-N 3.34Å; L217-I221 HydrophobicContact CD2-CG2 4.44Å; L217-A227 HydrophobicContact CD1-CB 3.9Å; L217-A227 HydrophobicContact CD2-CB 3.59Å; L217-A227 HydrophobicContact CG-CB 4.43Å; L217-L813 HydrophobicContact CD1-CD2 4.36Å; L217-L902 HydrophobicContact CD1-CD2 4.03Å |
| 218 | P | 62 | Low | 72.2 | Confident | 49 Ų | 49 | 51 Ų | 51 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | trans | -58.3 | 154.1 | 166.8 | -22.2 | 33.2 | 0 | 0 | 0 | 111.6 | E220 I221 | P218-E220 PolarHBondContact O-N 3.26Å; P218-I221 HydrophobicContact CG-CD1 4.22Å; P218-I221 HydrophobicContact CG-CG1 4.45Å; P218-I221 PolarHBondContact O-N 3.09Å | ||
| 219 | R | 59.6 | Low | 72.1 | Confident | 179 Ų | 179 | 53.5 Ų | 53.5 | 68% | 0.675 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -29.9 | 178.2 | -74.1 | 174.2 | 163.9 | 177.5 | -9 | 113.6 | ||
| 220 | E | 58.2 | Low | 71.8 | Confident | 156 Ų | 156 | 56 Ų | 56 | 73% | 0.729 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -17.9 | -178.4 | -53.8 | 178 | 158.9 | 0 | 0 | 115.4 | P218 T222 | P218-E220 PolarHBondContact O-N 3.26Å; E220-T222 PolarHBondContact O-N 3.25Å |
| 221 | I | 65.2 | Low | 71.4 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | trans | -94.4 | 91.3 | -170.6 | -52.7 | -169.5 | 0 | 0 | 0 | 111.2 | L217 P218 K226 A227 | L217-I221 HydrophobicContact CD2-CG2 4.44Å; P218-I221 HydrophobicContact CG-CD1 4.22Å; P218-I221 HydrophobicContact CG-CG1 4.45Å; P218-I221 PolarHBondContact O-N 3.09Å; I221-K226 HydrophobicContact CD1-CD 4.44Å; I221-K226 HydrophobicContact CD1-CG 4.35Å; I221-K226 HydrophobicContact CG2-CB 4.25Å; I221-K226 HydrophobicContact CG2-CD 4.29Å; I221-K226 HydrophobicContact CG2-CG 4.17Å; I221-A227 HydrophobicContact CG2-CB 4.15Å | ||
| 222 | T | 63.1 | Low | 71.1 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | trans | -95.3 | -10.6 | 172.6 | 54 | 0 | 0 | 0 | 0 | 114.1 | E220 F895 F899 | E220-T222 PolarHBondContact O-N 3.25Å; T222-F895 HydrophobicContact CG2-CE2 4.3Å; T222-F899 HydrophobicContact CG2-CZ 4.26Å | ||
| 223 | D | 72.6 | Confident | 70.9 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | trans | -83.2 | 123.3 | 177.4 | 165.4 | 34.5 | 0 | 0 | 0 | 112.2 | E225 K226 A227 | D223-E225 VanDerWaalsContact C-N 3.34Å; D223-E225 PolarHBondContact O-N 3.14Å; D223-E225 PolarHBondContact OD1-N 3.13Å; D223-K226 HydrophobicContact CB-CB 4.16Å; D223-K226 WeakPolarHBondContact OD2-CB 3.35Å; D223-K226 PolarHBondContact OD2-N 3.04Å; D223-A227 WeakPolarHBondContact O-CB 3.42Å; D223-A227 PolarHBondContact O-N 2.83Å; D223-A227 VanDerWaalsContact O-N 3.11Å | ||
| 224 | P | 71.5 | Confident | 71 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 10% | 0.097 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -29.5 | 177.5 | 25.5 | -34.4 | 0 | 0 | 0 | 114.9 | R228 Q901 L902 | P224-R228 WeakPolarHBondContact O-CB 3.5Å; P224-R228 PolarHBondContact O-N 3.24Å; P224-Q901 HydrophobicContact CB-CB 4.36Å; P224-Q901 HydrophobicContact CG-CB 4.44Å; P224-L902 HydrophobicContact CB-CD2 4.25Å; P224-L902 HydrophobicContact CB-CG 4.34Å |
| 225 | E | 75.5 | Confident | 71.6 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -79.4 | -44.1 | -178.7 | -79.4 | -65.5 | 117.8 | 0 | 0 | 112.5 | D223 A227 R228 L229 | D223-E225 VanDerWaalsContact C-N 3.34Å; D223-E225 PolarHBondContact O-N 3.14Å; D223-E225 PolarHBondContact OD1-N 3.13Å; E225-A227 PolarHBondContact O-N 3.27Å; E225-R228 VanDerWaalsContact CD-NE 3.35Å; E225-R228 WeakPolarHBondContact O-CB 3.34Å; E225-R228 PolarHBondContact O-N 3.23Å; E225-R228 VanDerWaalsContact O-N 3.09Å; E225-R228 IonicContact OE1-CZ 2.78Å; E225-R228 IonicContact OE1-NE 3.2Å; E225-R228 PolarHBondContact OE1-NE 2.94Å; E225-R228 IonicContact OE1-NH2 3.76Å; E225-R228 IonicContact OE2-CZ 3.77Å; E225-R228 IonicContact OE2-NE 2.72Å; E225-R228 PolarHBondContact OE2-NE 3.27Å; E225-R228 IonicContact OE2-NH2 2.76Å; E225-R228 PolarHBondContact OE2-NH2 3.17Å; E225-L229 PolarHBondContact O-N 3.35Å |
| 226 | K | 77.2 | Confident | 72.4 | Confident | 114 Ų | 114 | 68.3 Ų | 68.3 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.4 | -38.9 | 169.4 | -173.6 | 177.8 | -179.4 | -175.4 | 0 | 111.4 | I221 D223 R230 | I221-K226 HydrophobicContact CD1-CD 4.44Å; I221-K226 HydrophobicContact CD1-CG 4.35Å; I221-K226 HydrophobicContact CG2-CB 4.25Å; I221-K226 HydrophobicContact CG2-CD 4.29Å; I221-K226 HydrophobicContact CG2-CG 4.17Å; D223-K226 HydrophobicContact CB-CB 4.16Å; D223-K226 WeakPolarHBondContact OD2-CB 3.35Å; D223-K226 PolarHBondContact OD2-N 3.04Å; K226-R230 PolarHBondContact O-N 3.12Å; K226-R230 VanDerWaalsContact O-N 3.12Å |
| 227 | A | 73.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 I221 D223 E225 L229 R230 L231 L902 | L217-A227 HydrophobicContact CD1-CB 3.9Å; L217-A227 HydrophobicContact CD2-CB 3.59Å; L217-A227 HydrophobicContact CG-CB 4.43Å; I221-A227 HydrophobicContact CG2-CB 4.15Å; D223-A227 WeakPolarHBondContact O-CB 3.42Å; D223-A227 PolarHBondContact O-N 2.83Å; D223-A227 VanDerWaalsContact O-N 3.11Å; E225-A227 PolarHBondContact O-N 3.27Å; A227-L229 VanDerWaalsContact C-N 3.29Å; A227-L229 PolarHBondContact O-N 3.33Å; A227-R230 PolarHBondContact O-N 3.09Å; A227-L231 WeakPolarHBondContact O-CG 3.35Å; A227-L231 PolarHBondContact O-N 3.38Å; A227-L231 VanDerWaalsContact O-N 3.07Å; A227-L902 HydrophobicContact CB-CD2 3.48Å; A227-L902 VanDerWaalsContact CB-CD2 3.48Å |
| 228 | R | 76.8 | Confident | 73.6 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.9 | -45.2 | 178.4 | -162.4 | 168.1 | 65.1 | 78.4 | -3.1 | 112 | P224 E225 Q232 L905 | P224-R228 WeakPolarHBondContact O-CB 3.5Å; P224-R228 PolarHBondContact O-N 3.24Å; E225-R228 VanDerWaalsContact CD-NE 3.35Å; E225-R228 WeakPolarHBondContact O-CB 3.34Å; E225-R228 PolarHBondContact O-N 3.23Å; E225-R228 VanDerWaalsContact O-N 3.09Å; E225-R228 IonicContact OE1-CZ 2.78Å; E225-R228 IonicContact OE1-NE 3.2Å; E225-R228 PolarHBondContact OE1-NE 2.94Å; E225-R228 IonicContact OE1-NH2 3.76Å; E225-R228 IonicContact OE2-CZ 3.77Å; E225-R228 IonicContact OE2-NE 2.72Å; E225-R228 PolarHBondContact OE2-NE 3.27Å; E225-R228 IonicContact OE2-NH2 2.76Å; E225-R228 PolarHBondContact OE2-NH2 3.17Å; R228-Q232 WeakPolarHBondContact O-CG 3.39Å; R228-Q232 PolarHBondContact O-N 3.03Å; R228-Q232 VanDerWaalsContact O-N 3.08Å; R228-L905 HydrophobicContact CB-CD1 3.79Å; R228-L905 HydrophobicContact CG-CD1 3.95Å |
| 229 | L | 79.7 | Confident | 74.2 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.6 | -42.2 | -179.4 | -172.4 | 67.2 | 0 | 0 | 0 | 112.3 | E225 A227 Q232 T233 | E225-L229 PolarHBondContact O-N 3.35Å; A227-L229 VanDerWaalsContact C-N 3.29Å; A227-L229 PolarHBondContact O-N 3.33Å; L229-Q232 PolarHBondContact O-N 3.25Å; L229-T233 WeakPolarHBondContact O-CB 3.22Å; L229-T233 PolarHBondContact O-N 3.09Å; L229-T233 PolarHBondContact O-OG1 3.36Å |
| 230 | R | 79 | Confident | 75.1 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.2 | -170.9 | 174.4 | 175.9 | 94.1 | -2.1 | 111.2 | L164 K226 A227 T233 L234 | L164-R230 HydrophobicContact CD1-CG 3.67Å; L164-R230 VanDerWaalsContact CD1-CZ 3.45Å; K226-R230 PolarHBondContact O-N 3.12Å; K226-R230 VanDerWaalsContact O-N 3.12Å; A227-R230 PolarHBondContact O-N 3.09Å; R230-T233 PolarHBondContact O-N 3.4Å; R230-L234 PolarHBondContact O-N 3.08Å; R230-L234 VanDerWaalsContact O-N 3.07Å |
| 231 | L | 78 | Confident | 76.1 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.4 | -64.3 | -177.9 | 0 | 0 | 0 | 112.2 | L216 A227 T233 L234 E235 L242 L905 L906 | L216-L231 HydrophobicContact CB-CD2 4.2Å; L216-L231 HydrophobicContact CD2-CD2 3.9Å; A227-L231 WeakPolarHBondContact O-CG 3.35Å; A227-L231 PolarHBondContact O-N 3.38Å; A227-L231 VanDerWaalsContact O-N 3.07Å; L231-T233 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 3.26Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L231-E235 WeakPolarHBondContact O-CG 3.4Å; L231-E235 PolarHBondContact O-N 3.16Å; L231-L242 HydrophobicContact CD1-CD2 4.18Å; L231-L242 HydrophobicContact CD2-CD2 4.09Å; L231-L905 HydrophobicContact CD1-CD2 4.02Å; L231-L906 HydrophobicContact CD1-CD2 3.92Å |
| 232 | Q | 79.8 | Confident | 76.6 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -33 | 177.7 | -73.6 | -176.5 | -42.1 | 0 | 0 | 112.7 | R228 L229 K236 | R228-Q232 WeakPolarHBondContact O-CG 3.39Å; R228-Q232 PolarHBondContact O-N 3.03Å; R228-Q232 VanDerWaalsContact O-N 3.08Å; L229-Q232 PolarHBondContact O-N 3.25Å; Q232-K236 VanDerWaalsContact O-CB 3.3Å; Q232-K236 WeakPolarHBondContact O-CB 3.38Å; Q232-K236 PolarHBondContact O-N 3.07Å |
| 233 | T | 81.3 | Confident | 77 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | L164 L229 R230 L231 K236 R237 | L164-T233 HydrophobicContact CD2-CG2 3.82Å; L229-T233 WeakPolarHBondContact O-CB 3.22Å; L229-T233 PolarHBondContact O-N 3.09Å; L229-T233 PolarHBondContact O-OG1 3.36Å; R230-T233 PolarHBondContact O-N 3.4Å; L231-T233 PolarHBondContact O-N 3.37Å; T233-K236 PolarHBondContact O-N 2.81Å; T233-R237 WeakPolarHBondContact O-CG 3.35Å; T233-R237 PolarHBondContact O-N 3.03Å |
| 234 | L | 80.8 | Confident | 76.3 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.9 | -46.2 | 177.3 | -176.4 | 64.4 | 0 | 0 | 0 | 111.9 | I43 C160 L164 R230 L231 K236 R237 T238 | I43-L234 HydrophobicContact CD1-CD2 4.12Å; I43-L234 HydrophobicContact CD1-CG 3.96Å; C160-L234 WeakPolarHBondContact O-CD1 3.3Å; L164-L234 HydrophobicContact CD2-CB 4.24Å; L164-L234 HydrophobicContact CD2-CD1 4.48Å; L164-L234 HydrophobicContact CG-CD1 4.22Å; R230-L234 PolarHBondContact O-N 3.08Å; R230-L234 VanDerWaalsContact O-N 3.07Å; L231-L234 PolarHBondContact O-N 3.26Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.07Å; L234-R237 PolarHBondContact O-N 2.83Å; L234-T238 HydrophobicContact CD1-CG2 4.03Å; L234-T238 WeakPolarHBondContact O-CG2 3.39Å; L234-T238 PolarHBondContact O-N 3.46Å; L234-T238 VanDerWaalsContact O-N 3.07Å; L234-T238 PolarHBondContact O-OG1 3Å |
| 235 | E | 79.9 | Confident | 75.6 | Confident | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -42 | 175 | -66.4 | -175.7 | 101.9 | 0 | 0 | 110.7 | I43 L231 S239 C240 L242 R909 | I43-E235 HydrophobicContact CD1-CG 4.46Å; L231-E235 WeakPolarHBondContact O-CG 3.4Å; L231-E235 PolarHBondContact O-N 3.16Å; E235-S239 PolarHBondContact O-N 3.37Å; E235-S239 VanDerWaalsContact O-N 3.17Å; E235-C240 WeakPolarHBondContact CA-O 3.36Å; E235-L242 HydrophobicContact CG-CB 4.15Å; E235-L242 PolarHBondContact OE1-N 2.58Å; E235-R909 IonicContact OE2-CZ 3.02Å; E235-R909 IonicContact OE2-NE 2.9Å; E235-R909 PolarHBondContact OE2-NE 3.39Å; E235-R909 IonicContact OE2-NH2 3.75Å |
| 236 | K | 79.6 | Confident | 74.6 | Confident | 170 Ų | 170 | 52.4 Ų | 52.4 | 74% | 0.739 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -70.3 | -39.9 | 178.8 | -172.3 | 176.5 | -180 | -177.9 | 0 | 114 | Q232 T233 L234 | Q232-K236 VanDerWaalsContact O-CB 3.3Å; Q232-K236 WeakPolarHBondContact O-CB 3.38Å; Q232-K236 PolarHBondContact O-N 3.07Å; T233-K236 PolarHBondContact O-N 2.81Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.07Å |
| 237 | R | 77.1 | Confident | 73.4 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 179.1 | -76.4 | -172.7 | -167.8 | -174.3 | 7.9 | 112.4 | V163 L164 F174 T233 L234 | V163-R237 HydrophobicContact CG1-CB 3.8Å; V163-R237 HydrophobicContact CG1-CG 4.5Å; V163-R237 WeakPolarHBondContact O-CD 3.43Å; V163-R237 PolarHBondContact O-NH1 3.39Å; L164-R237 VanDerWaalsContact C-NH1 3.31Å; L164-R237 VanDerWaalsContact CA-NH1 3.33Å; L164-R237 PolarHBondContact O-NH1 3.31Å; F174-R237 WeakPolarHBondContact O-CB 3.45Å; T233-R237 WeakPolarHBondContact O-CG 3.35Å; T233-R237 PolarHBondContact O-N 3.03Å; L234-R237 PolarHBondContact O-N 2.83Å |
| 238 | T | 74.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.7 | -16.5 | -175.8 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | L234 C240 | L234-T238 HydrophobicContact CD1-CG2 4.03Å; L234-T238 WeakPolarHBondContact O-CG2 3.39Å; L234-T238 PolarHBondContact O-N 3.46Å; L234-T238 VanDerWaalsContact O-N 3.07Å; L234-T238 PolarHBondContact O-OG1 3Å; T238-C240 PolarHBondContact O-N 2.82Å; T238-C240 PolarHBondContact O-SG 3.29Å; T238-C240 VanDerWaalsContact O-SG 3.4Å; T238-C240 PolarHBondContact OG1-N 2.94Å |
| 239 | S | 75.9 | Confident | 71.2 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 23.2 | -166.2 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | L181 E235 | L181-S239 VanDerWaalsContact CD2-OG 3.24Å; L181-S239 WeakPolarHBondContact CD2-OG 3.49Å; E235-S239 PolarHBondContact O-N 3.37Å; E235-S239 VanDerWaalsContact O-N 3.17Å |
| 240 | C | 78.2 | Confident | 69.7 | Low | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | trans | -111.4 | 136 | 178.1 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | N41 I43 I209 E235 T238 | N41-C240 HydrophobicContact CB-CB 4.41Å; I43-C240 HydrophobicContact CD1-CB 4.25Å; I43-C240 HydrophobicContact CG1-CB 3.54Å; I209-C240 VanDerWaalsContact CG2-SG 3.6Å; E235-C240 WeakPolarHBondContact CA-O 3.36Å; T238-C240 PolarHBondContact O-N 2.82Å; T238-C240 PolarHBondContact O-SG 3.29Å; T238-C240 VanDerWaalsContact O-SG 3.4Å; T238-C240 PolarHBondContact OG1-N 2.94Å | ||
| 241 | R | 79.4 | Confident | 68.3 | Low | 109 Ų | 109 | 39.8 Ų | 39.8 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.2 | 174.3 | 174.1 | 164.7 | 160.5 | 168.8 | 2.1 | 110.8 | N41 T42 I43 E243 R909 | N41-R241 PolarHBondContact O-N 3.15Å; N41-R241 VanDerWaalsContact O-N 3.07Å; T42-R241 WeakPolarHBondContact CA-O 3.44Å; I43-R241 PolarHBondContact N-O 3.31Å; R241-E243 IonicContact NE-OE1 3.58Å; R241-E243 IonicContact NH2-OE1 2.68Å; R241-R909 PolarHBondContact NH2-O 2.68Å |
| 242 | L | 76.1 | Confident | 66.9 | Low | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.2 | 174.4 | -177.6 | 62.5 | 0 | 0 | 0 | 111.7 | I43 L216 L231 E235 T244 | I43-L242 HydrophobicContact CB-CD1 4.02Å; I43-L242 HydrophobicContact CG2-CD1 3.98Å; L216-L242 HydrophobicContact CD1-CD1 4.19Å; L216-L242 HydrophobicContact CD1-CD2 4.19Å; L216-L242 HydrophobicContact CD2-CD1 3.68Å; L216-L242 HydrophobicContact CD2-CD2 4.04Å; L231-L242 HydrophobicContact CD1-CD2 4.18Å; L231-L242 HydrophobicContact CD2-CD2 4.09Å; E235-L242 HydrophobicContact CG-CB 4.15Å; E235-L242 PolarHBondContact OE1-N 2.58Å; L242-T244 HydrophobicContact CD1-CG2 4.29Å; L242-T244 HydrophobicContact CD2-CG2 4.31Å; L242-T244 HydrophobicContact CG-CG2 4.29Å |
| 243 | E | 70 | Confident | 65.5 | Low | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117.5 | 158.6 | -68.5 | -76.2 | 171.5 | 0 | 0 | 108.8 | L33 A36 R40 T42 I43 R241 C910 R911 | L33-E243 HydrophobicContact CD2-CB 3.55Å; A36-E243 HydrophobicContact CB-CG 4.47Å; R40-E243 IonicContact CZ-OE1 2.75Å; R40-E243 IonicContact NH1-OE1 2.81Å; R40-E243 VanDerWaalsContact NH2-CD 3.31Å; R40-E243 IonicContact NH2-OE1 2.83Å; R40-E243 PolarHBondContact NH2-OE1 3.34Å; T42-E243 HydrophobicContact CG2-CB 4.4Å; T42-E243 HydrophobicContact CG2-CG 4.44Å; I43-E243 PolarHBondContact O-N 3.38Å; I43-E243 VanDerWaalsContact O-N 3.16Å; R241-E243 IonicContact NE-OE1 3.58Å; R241-E243 IonicContact NH2-OE1 2.68Å; E243-C910 WeakPolarHBondContact OE2-CA 3.33Å; E243-R911 WeakPolarHBondContact OE1-CD 3.36Å; E243-R911 WeakPolarHBondContact OE1-CG 3.45Å; E243-R911 PolarHBondContact OE2-N 3.26Å |
| 244 | T | 59 | Low | 63.7 | Low | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.135 | 21% | 0.213 | C | C | . | . | trans | -92.2 | 125.1 | 175.6 | 36.2 | 0 | 0 | 0 | 0 | 110.9 | C45 L216 L242 L906 C910 | C45-T244 HydrophobicContact CB-CG2 4.44Å; L216-T244 HydrophobicContact CD1-CG2 3.43Å; L216-T244 VanDerWaalsContact CD1-CG2 3.43Å; L242-T244 HydrophobicContact CD1-CG2 4.29Å; L242-T244 HydrophobicContact CD2-CG2 4.31Å; L242-T244 HydrophobicContact CG-CG2 4.29Å; T244-L906 HydrophobicContact CG2-CD2 4.26Å; T244-C910 PolarHBondContact O-SG 3.23Å; T244-C910 PolarHBondContact OG1-SG 3.4Å | ||
| 245 | A | 56.3 | Low | 62.1 | Low | 18 Ų | 18 | 43.3 Ų | 43.3 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | trans | -151.2 | 136.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y29 L33 | Y29-A245 HydrophobicContact CD2-CB 3.51Å; Y29-A245 HydrophobicContact CE2-CB 4.39Å; Y29-A245 HydrophobicContact CG-CB 3.98Å; L33-A245 HydrophobicContact CD1-CB 3.86Å; L33-A245 HydrophobicContact CD2-CB 4.45Å; L33-A245 HydrophobicContact CG-CB 4.05Å | ||
| 246 | S | 55.3 | Low | 60.7 | Low | 67 Ų | 67 | 42.5 Ų | 42.5 | 47% | 0.469 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -173 | -69.3 | 166.1 | 51.6 | 0 | 0 | 0 | 0 | 109 | T250 | S246-T250 PolarHBondContact O-OG1 2.95Š|
| 247 | E | 51 | Low | 59.7 | Low | 25 Ų | 25 | 44.3 Ų | 44.3 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -111.8 | -22.5 | -172.7 | -62.6 | -164.2 | 121.8 | 0 | 0 | 114.6 | T250 M251 T792 S818 A821 R822 R824 | E247-T250 VanDerWaalsContact CA-OG1 3.25Å; E247-T250 WeakPolarHBondContact CA-OG1 3.42Å; E247-T250 PolarHBondContact O-OG1 3.38Å; E247-T250 VanDerWaalsContact O-OG1 3.05Å; E247-M251 VanDerWaalsContact O-CB 3.27Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 3.4Å; E247-T792 WeakPolarHBondContact OE1-CG2 3.32Å; E247-S818 WeakPolarHBondContact OE2-CA 3.1Å; E247-A821 HydrophobicContact CB-CB 4.18Å; E247-A821 HydrophobicContact CG-CB 4.43Å; E247-R822 IonicContact OE1-CZ 2.72Å; E247-R822 IonicContact OE1-NE 2.76Å; E247-R822 IonicContact OE1-NH2 3.87Å; E247-R822 PolarHBondContact OE1-NH2 3.49Å; E247-R824 PolarHBondContact O-NH2 3.24Å; E247-R824 VanDerWaalsContact O-NH2 3.14Å |
| 248 | L | 53.2 | Low | 59.1 | Low | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -83.8 | -42 | -166.1 | -159.9 | 68.1 | 0 | 0 | 0 | 113.7 | M251 L252 L817 E903 L907 | L248-M251 HydrophobicContact CD1-CE 3.59Å; L248-M251 WeakPolarHBondContact O-CB 3.43Å; L248-M251 PolarHBondContact O-N 2.79Å; L248-L252 PolarHBondContact O-N 3.09Å; L248-L817 HydrophobicContact CD1-CD1 4.21Å; L248-L817 HydrophobicContact CD1-CD2 3.64Å; L248-E903 HydrophobicContact CD1-CG 3.59Å; L248-E903 HydrophobicContact CD2-CG 4.07Å; L248-E903 HydrophobicContact CG-CG 4.39Å; L248-L907 HydrophobicContact CD2-CD1 4.41Å; L248-L907 HydrophobicContact CD2-CD2 3.76Å; L248-L907 HydrophobicContact CD2-CG 3.65Å; L248-L907 HydrophobicContact CG-CD2 3.83Å; L248-L907 HydrophobicContact CG-CG 4.14Å |
| 249 | L | 50 | Low | 58.5 | Low | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 174.2 | -149.3 | 78.2 | 0 | 0 | 0 | 111.2 | L252 S253 C910 F916 | L249-L252 PolarHBondContact O-N 2.91Å; L249-S253 WeakPolarHBondContact O-CB 3.35Å; L249-S253 PolarHBondContact O-N 2.86Å; L249-S253 PolarHBondContact O-OG 2.6Å; L249-C910 HydrophobicContact CD1-CB 4.3Å; L249-F916 HydrophobicContact CD1-CE2 4.34Å; L249-F916 HydrophobicContact CD2-CE2 4.4Å; L249-F916 HydrophobicContact CG-CE2 4.16Å |
| 250 | T | 49.9 | Very low | 58.2 | Low | 39 Ų | 39 | 46.5 Ų | 46.5 | 24% | 0.239 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.6 | -28.1 | 173.5 | 34.4 | 0 | 0 | 0 | 0 | 113.1 | Y29 S246 E247 S253 | Y29-T250 HydrophobicContact CD1-CG2 4.27Å; S246-T250 PolarHBondContact O-OG1 2.95Å; E247-T250 VanDerWaalsContact CA-OG1 3.25Å; E247-T250 WeakPolarHBondContact CA-OG1 3.42Å; E247-T250 PolarHBondContact O-OG1 3.38Å; E247-T250 VanDerWaalsContact O-OG1 3.05Å; T250-S253 PolarHBondContact O-OG 2.78Å |
| 251 | M | 49.6 | Very low | 57.6 | Low | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 168.5 | -172.5 | 171.1 | 72.5 | 0 | 0 | 111.4 | E247 L248 K820 E903 | E247-M251 VanDerWaalsContact O-CB 3.27Å; E247-M251 WeakPolarHBondContact O-CB 3.28Å; E247-M251 PolarHBondContact O-N 3.4Å; L248-M251 HydrophobicContact CD1-CE 3.59Å; L248-M251 WeakPolarHBondContact O-CB 3.43Å; L248-M251 PolarHBondContact O-N 2.79Å; M251-K820 HydrophobicContact CE-CD 4.31Å; M251-K820 HydrophobicContact SD-CD 4.06Å; M251-K820 HydrophobicContact SD-CG 3.83Å; M251-E903 VanDerWaalsContact CE-OE1 3.28Å; M251-E903 WeakPolarHBondContact CE-OE1 3.39Å |
| 252 | L | 48.7 | Very low | 56.9 | Low | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75 | -37.9 | -176.9 | -67.4 | -179.9 | 0 | 0 | 0 | 113.2 | L248 L249 L254 G255 L907 Y913 | L248-L252 PolarHBondContact O-N 3.09Å; L249-L252 PolarHBondContact O-N 2.91Å; L252-L254 PolarHBondContact O-N 3.26Å; L252-L254 VanDerWaalsContact O-N 3.13Å; L252-G255 PolarHBondContact O-N 3.09Å; L252-L907 HydrophobicContact CD1-CD1 3.92Å; L252-L907 HydrophobicContact CD1-CD2 3.45Å; L252-L907 VanDerWaalsContact CD1-CD2 3.45Å; L252-L907 HydrophobicContact CD1-CG 4.34Å; L252-Y913 HydrophobicContact CD1-CD2 4.47Å; L252-Y913 HydrophobicContact CD1-CE2 4.43Å |
| 253 | S | 48.7 | Very low | 56.2 | Low | 53 Ų | 53 | 53.3 Ų | 53.3 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -17.9 | -177 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | L249 T250 | L249-S253 WeakPolarHBondContact O-CB 3.35Å; L249-S253 PolarHBondContact O-N 2.86Å; L249-S253 PolarHBondContact O-OG 2.6Å; T250-S253 PolarHBondContact O-OG 2.78Å |
| 254 | L | 45.1 | Very low | 55.6 | Low | 72 Ų | 72 | 55.7 Ų | 55.7 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.2 | 176.6 | -64.9 | 174.1 | 0 | 0 | 0 | 113.9 | L252 A256 | L252-L254 PolarHBondContact O-N 3.26Å; L252-L254 VanDerWaalsContact O-N 3.13Å; L254-A256 VanDerWaalsContact C-N 3.25Å; L254-A256 PolarHBondContact O-N 2.71Å; L254-A256 VanDerWaalsContact O-N 3.09Å |
| 255 | G | 46.3 | Very low | 55.4 | Low | 58 Ų | 58 | 56.1 Ų | 56.1 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | trans | 73.1 | -4.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | L252 | L252-G255 PolarHBondContact O-N 3.09Š| ||
| 256 | A | 51.1 | Low | 55.1 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | trans | -95.5 | 120.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L254 V826 | L254-A256 VanDerWaalsContact C-N 3.25Å; L254-A256 PolarHBondContact O-N 2.71Å; L254-A256 VanDerWaalsContact O-N 3.09Å; A256-V826 HydrophobicContact CB-CG1 4.48Å; A256-V826 HydrophobicContact CB-CG2 4.13Å | ||
| 257 | R | 58.8 | Low | 54.5 | Low | 208 Ų | 208 | 60.1 Ų | 60.1 | 79% | 0.785 | 31% | 0.313 | S | S | * | . | trans | -100.8 | 112.4 | 164.2 | -64.1 | -175.5 | -176.5 | -172.8 | 1.5 | 108.2 | ||||
| 258 | P | 63.7 | Low | 53.9 | Low | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -66.9 | 155.5 | 177.9 | 27.6 | -33.6 | 0 | 0 | 0 | 111.3 | E260 K820 A830 V832 | P258-E260 PolarHBondContact O-N 2.69Å; P258-K820 HydrophobicContact CG-CG 4.26Å; P258-A830 WeakPolarHBondContact CA-O 3.32Å; P258-V832 HydrophobicContact CB-CG2 4.21Å; P258-V832 HydrophobicContact CG-CG2 4.32Å | ||
| 259 | Q | 63.2 | Low | 53.2 | Low | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 103.8 | 172.5 | -70.7 | -173.3 | 0.6 | 0 | 0 | 109.9 | A830 K831 V832 | Q259-A830 PolarHBondContact N-O 3.12Å; Q259-K831 HydrophobicContact CB-CG 4.06Å; Q259-K831 WeakPolarHBondContact O-CA 3.44Å; Q259-V832 PolarHBondContact O-N 3.41Å |
| 260 | E | 68.8 | Low | 52.6 | Low | 46 Ų | 46 | 68.4 Ų | 68.4 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.7 | 167.7 | -70 | 168.8 | -134.9 | 0 | 0 | 109.6 | P258 Y816 K820 V832 Q900 | P258-E260 PolarHBondContact O-N 2.69Å; E260-Y816 PolarHBondContact OE1-OH 3.42Å; E260-Y816 PolarHBondContact OE2-OH 3.47Å; E260-K820 WeakPolarHBondContact OE1-CD 3.26Å; E260-K820 WeakPolarHBondContact OE1-CE 3.45Å; E260-K820 IonicContact OE1-NZ 2.76Å; E260-K820 PolarHBondContact OE1-NZ 2.85Å; E260-V832 CarbonylContact C-O 3.54Å; E260-Q900 PolarHBondContact OE2-NE2 2.94Å |
| 261 | R | 64.8 | Low | 52 | Low | 148 Ų | 148 | 73.8 Ų | 73.8 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.5 | 171.7 | -68 | -169.8 | 179.8 | -151.1 | -2.1 | 110.5 | V832 I833 Y834 | R261-V832 PolarHBondContact N-O 3.44Å; R261-I833 CarbonylContact O-C 3.59Å; R261-I833 WeakPolarHBondContact O-CA 3.03Å; R261-Y834 PolarHBondContact O-N 3.26Å |
| 262 | V | 65 | Low | 51.6 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.5 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | M836 L896 | V262-M836 HydrophobicContact CG1-CB 4.49Å; V262-M836 HydrophobicContact CG1-CG 4.04Å; V262-M836 HydrophobicContact CG1-SD 3.39Å; V262-M836 WeakPolarHBondContact CG1-SD 3.3Å; V262-L896 HydrophobicContact CG2-CD2 4.34Å |
| 263 | I | 61.7 | Low | 51.6 | Low | 51 Ų | 51 | 76 Ų | 76 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.1 | 168.8 | 14.3 | -172.3 | 0 | 0 | 0 | 109.7 | I833 Y834 L835 M836 | I263-I833 HydrophobicContact CD1-CG2 3.68Å; I263-I833 HydrophobicContact CG1-CG2 3.72Å; I263-Y834 PolarHBondContact N-O 3Å; I263-L835 HydrophobicContact CD1-CD2 4.2Å; I263-L835 HydrophobicContact CG1-CD2 4.1Å; I263-L835 HydrophobicContact CG1-CG 4.44Å; I263-L835 HydrophobicContact CG2-CD2 4.15Å; I263-L835 WeakPolarHBondContact O-CB 3.32Å; I263-M836 PolarHBondContact O-N 3.37Å; I263-M836 VanDerWaalsContact O-N 3.15Å |
| 264 | L | 57.2 | Low | 52 | Low | 63 Ų | 63 | 77.5 Ų | 77.5 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.9 | -179.6 | -64.5 | 164.8 | 0 | 0 | 0 | 110.2 | M836 I841 | L264-M836 HydrophobicContact CD2-CB 4.06Å; L264-M836 HydrophobicContact CD2-CE 4.14Å; L264-I841 HydrophobicContact CD2-CD1 4.17Å |
| 265 | C | 54.8 | Low | 52.8 | Low | 30 Ų | 30 | 78.9 Ų | 78.9 | 20% | 0.203 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 95.2 | 171.3 | -66 | 0 | 0 | 0 | 0 | 109 | K267 M836 | C265-K267 PolarHBondContact O-N 2.85Å; C265-M836 WeakPolarHBondContact CB-O 3.35Å; C265-M836 PolarHBondContact N-O 3.47Å |
| 266 | S | 50 | Low | 53.7 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | trans | -72.6 | 120.1 | 174.6 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | S268 M473 F475 | S266-S268 PolarHBondContact O-N 2.92Å; S266-S268 VanDerWaalsContact O-N 3.15Å; S266-M473 WeakPolarHBondContact O-CE 3.34Å; S266-F475 WeakPolarHBondContact OG-CE1 3.03Å; S266-F475 WeakPolarHBondContact OG-CZ 3.45Å | ||
| 267 | K | 44 | Very low | 54.5 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | trans | -70.1 | 102.1 | 164.4 | -68.3 | 175.7 | 178.6 | 171.6 | 0 | 108.6 | C265 D839 | C265-K267 PolarHBondContact O-N 2.85Å; K267-D839 IonicContact NZ-OD1 2.65Å; K267-D839 PolarHBondContact NZ-OD1 3.44Å; K267-D839 IonicContact NZ-OD2 3.25Å; K267-D839 PolarHBondContact NZ-OD2 3.4Å | ||
| 268 | S | 38.4 | Very low | 54.9 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 43% | 0.427 | 42% | 0.419 | S | S | . | . | trans | -85.3 | 138.7 | 168.3 | 82 | 0 | 0 | 0 | 0 | 110.7 | S266 S270 M473 | S266-S268 PolarHBondContact O-N 2.92Å; S266-S268 VanDerWaalsContact O-N 3.15Å; S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 3.38Å; S268-M473 VanDerWaalsContact CB-SD 3.53Å; S268-M473 WeakPolarHBondContact OG-CG 3.43Å; S268-M473 PolarHBondContact OG-SD 3.26Å | ||
| 269 | S | 38.5 | Very low | 55.6 | Low | 115 Ų | 115 | 79.6 Ų | 79.6 | 80% | 0.804 | 44% | 0.435 | S | S | * | . | trans | -84 | 68.2 | -176.6 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 270 | S | 36.5 | Very low | 56.1 | Low | 69 Ų | 69 | 74.8 Ų | 74.8 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | trans | -126.3 | 74.3 | -173.5 | -166.6 | 0 | 0 | 0 | 0 | 114.2 | S268 A272 | S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 3.38Å; S270-A272 PolarHBondContact O-N 2.85Å | ||
| 271 | I | 38 | Very low | 56.3 | Low | 151 Ų | 151 | 74.7 Ų | 74.7 | 77% | 0.774 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 38.3 | 77 | 132.8 | -44.8 | 171.4 | 0 | 0 | 0 | 116.1 | ||
| 272 | A | 40 | Very low | 56.8 | Low | 74 Ų | 74 | 68.3 Ų | 68.3 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -157.2 | -67.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S270 I274 | S270-A272 PolarHBondContact O-N 2.85Å; A272-I274 PolarHBondContact O-N 2.85Å |
| 273 | A | 49.8 | Very low | 57.5 | Low | 27 Ų | 27 | 66.7 Ų | 66.7 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -87.4 | 10 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H277 P471 | A273-H277 VanDerWaalsContact O-CB 3.31Å; A273-H277 WeakPolarHBondContact O-CB 3.35Å; A273-H277 PolarHBondContact O-N 3.38Å; A273-P471 HydrophobicContact CB-CG 3.97Å |
| 274 | I | 56.8 | Low | 58.3 | Low | 83 Ų | 83 | 64.3 Ų | 64.3 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.2 | -45 | -168.9 | -59.5 | 174.5 | 0 | 0 | 0 | 113.5 | A272 F276 H277 Q278 | A272-I274 PolarHBondContact O-N 2.85Å; I274-F276 PolarHBondContact O-N 3.4Å; I274-H277 PolarHBondContact O-N 2.85Å; I274-Q278 VanDerWaalsContact O-CB 3.25Å; I274-Q278 WeakPolarHBondContact O-CB 3.42Å; I274-Q278 PolarHBondContact O-N 3.25Å |
| 275 | P | 61.8 | Low | 59.2 | Low | 102 Ų | 102 | 67.9 Ų | 67.9 | 66% | 0.662 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.5 | -48.3 | -173.9 | -25.4 | 35 | 0 | 0 | 0 | 113.1 | F279 | P275-F279 WeakPolarHBondContact O-CB 3.32Å; P275-F279 PolarHBondContact O-N 3.32Å |
| 276 | F | 65.5 | Low | 60.3 | Low | 22 Ų | 22 | 72 Ų | 72 | 10% | 0.096 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.7 | -40.1 | -178.8 | -178.2 | -103.8 | 0 | 0 | 0 | 112.9 | I274 Q278 F279 M280 L343 L437 F438 E441 | I274-F276 PolarHBondContact O-N 3.4Å; F276-Q278 VanDerWaalsContact C-N 3.29Å; F276-Q278 PolarHBondContact O-N 2.85Å; F276-F279 AromaticContact CD2-CD1 3.98Å; F276-F279 HydrophobicContact CD2-CD1 3.98Å; F276-F279 HydrophobicContact CE2-CD1 4.21Å; F276-F279 PolarHBondContact O-N 2.94Å; F276-M280 HydrophobicContact CD1-CG 3.88Å; F276-M280 HydrophobicContact CD2-CG 4.05Å; F276-M280 HydrophobicContact CD2-SD 4.46Å; F276-M280 HydrophobicContact CE1-CE 4.26Å; F276-M280 HydrophobicContact CE1-CG 3.53Å; F276-M280 HydrophobicContact CE1-SD 4.22Å; F276-M280 HydrophobicContact CE2-CE 4.39Å; F276-M280 HydrophobicContact CE2-CG 3.7Å; F276-M280 HydrophobicContact CE2-SD 3.65Å; F276-M280 HydrophobicContact CG-CG 4.14Å; F276-M280 HydrophobicContact CZ-CE 3.69Å; F276-M280 HydrophobicContact CZ-CG 3.44Å; F276-M280 VanDerWaalsContact CZ-CG 3.44Å; F276-M280 HydrophobicContact CZ-SD 3.52Å; F276-M280 VanDerWaalsContact CZ-SD 3.52Å; F276-M280 WeakPolarHBondContact O-CB 3.48Å; F276-M280 VanDerWaalsContact O-CG 3.27Å; F276-M280 WeakPolarHBondContact O-CG 3.35Å; F276-M280 PolarHBondContact O-N 2.98Å; F276-L343 HydrophobicContact CD1-CD2 3.89Å; F276-L343 HydrophobicContact CE1-CD2 3.88Å; F276-L343 HydrophobicContact CE1-CG 4.49Å; F276-L437 HydrophobicContact CE2-CB 4.12Å; F276-L437 HydrophobicContact CZ-CB 3.96Å; F276-F438 AromaticContact CE1-CD1 3.96Å; F276-F438 HydrophobicContact CE1-CD1 3.96Å; F276-F438 HydrophobicContact CE1-CE1 4.31Å; F276-F438 HydrophobicContact CZ-CD1 4.39Å; F276-E441 WeakPolarHBondContact CB-OE1 3.34Å; F276-E441 WeakPolarHBondContact CB-OE2 3.22Å; F276-E441 HydrophobicContact CD1-CB 4.41Å; F276-E441 HydrophobicContact CD1-CG 4.24Å; F276-E441 WeakPolarHBondContact CD1-OE1 3.25Å; F276-E441 VanDerWaalsContact CD2-OE2 3.27Å; F276-E441 WeakPolarHBondContact CD2-OE2 3.47Å; F276-E441 HydrophobicContact CE1-CB 4.12Å; F276-E441 HydrophobicContact CE1-CG 4.44Å; F276-E441 VanDerWaalsContact CG-OE1 3.24Å; F276-E441 WeakPolarHBondContact CG-OE1 3.39Å; F276-E441 WeakPolarHBondContact CG-OE2 3.47Å; F276-E441 HydrophobicContact CZ-CB 4.32Å |
| 277 | H | 66.6 | Low | 61.5 | Low | 60 Ų | 60 | 70.2 Ų | 70.2 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.1 | 179.2 | 17.6 | 0 | 0 | 0 | 111.3 | A273 I274 M280 L281 N339 | A273-H277 VanDerWaalsContact O-CB 3.31Å; A273-H277 WeakPolarHBondContact O-CB 3.35Å; A273-H277 PolarHBondContact O-N 3.38Å; I274-H277 PolarHBondContact O-N 2.85Å; H277-M280 PolarHBondContact O-N 3.48Å; H277-L281 WeakPolarHBondContact O-CG 3.2Å; H277-L281 PolarHBondContact O-N 2.69Å; H277-N339 PolarHBondContact CE1-OD1 3.13Å |
| 278 | Q | 69 | Low | 62.9 | Low | 137 Ų | 137 | 66.7 Ų | 66.7 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72.3 | -34.2 | 177.1 | -167.9 | 169.8 | 0.1 | 0 | 0 | 112.6 | I274 F276 G282 | I274-Q278 VanDerWaalsContact O-CB 3.25Å; I274-Q278 WeakPolarHBondContact O-CB 3.42Å; I274-Q278 PolarHBondContact O-N 3.25Å; F276-Q278 VanDerWaalsContact C-N 3.29Å; F276-Q278 PolarHBondContact O-N 2.85Å; Q278-G282 PolarHBondContact O-N 3.17Å |
| 279 | F | 77.3 | Confident | 64.6 | Low | 105 Ų | 105 | 67.9 Ų | 67.9 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 170.2 | 169.8 | -103.8 | 0 | 0 | 0 | 111.9 | P275 F276 L281 G282 V283 L437 | P275-F279 WeakPolarHBondContact O-CB 3.32Å; P275-F279 PolarHBondContact O-N 3.32Å; F276-F279 AromaticContact CD2-CD1 3.98Å; F276-F279 HydrophobicContact CD2-CD1 3.98Å; F276-F279 HydrophobicContact CE2-CD1 4.21Å; F276-F279 PolarHBondContact O-N 2.94Å; F279-L281 PolarHBondContact O-N 2.93Å; F279-G282 CarbonylContact O-C 3.48Å; F279-G282 VanDerWaalsContact O-CA 3.25Å; F279-G282 WeakPolarHBondContact O-CA 3.49Å; F279-G282 PolarHBondContact O-N 3.44Å; F279-V283 HydrophobicContact CD1-CG2 4.44Å; F279-V283 HydrophobicContact CD2-CG2 4.38Å; F279-V283 HydrophobicContact CE1-CG2 4.05Å; F279-V283 HydrophobicContact CE2-CG2 3.99Å; F279-V283 HydrophobicContact CZ-CG2 3.8Å; F279-V283 WeakPolarHBondContact O-CG2 3.36Å; F279-V283 PolarHBondContact O-N 2.98Å; F279-L437 HydrophobicContact CE1-CD1 4.28Å |
| 280 | M | 73.2 | Confident | 66.1 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -34.6 | 179.5 | -65.7 | -65.7 | -89.8 | 0 | 0 | 112.2 | F276 H277 G282 V283 F284 L338 L434 L437 F438 | F276-M280 HydrophobicContact CD1-CG 3.88Å; F276-M280 HydrophobicContact CD2-CG 4.05Å; F276-M280 HydrophobicContact CD2-SD 4.46Å; F276-M280 HydrophobicContact CE1-CE 4.26Å; F276-M280 HydrophobicContact CE1-CG 3.53Å; F276-M280 HydrophobicContact CE1-SD 4.22Å; F276-M280 HydrophobicContact CE2-CE 4.39Å; F276-M280 HydrophobicContact CE2-CG 3.7Å; F276-M280 HydrophobicContact CE2-SD 3.65Å; F276-M280 HydrophobicContact CG-CG 4.14Å; F276-M280 HydrophobicContact CZ-CE 3.69Å; F276-M280 HydrophobicContact CZ-CG 3.44Å; F276-M280 VanDerWaalsContact CZ-CG 3.44Å; F276-M280 HydrophobicContact CZ-SD 3.52Å; F276-M280 VanDerWaalsContact CZ-SD 3.52Å; F276-M280 WeakPolarHBondContact O-CB 3.48Å; F276-M280 VanDerWaalsContact O-CG 3.27Å; F276-M280 WeakPolarHBondContact O-CG 3.35Å; F276-M280 PolarHBondContact O-N 2.98Å; H277-M280 PolarHBondContact O-N 3.48Å; M280-G282 VanDerWaalsContact C-N 3.32Å; M280-V283 PolarHBondContact O-N 2.85Å; M280-F284 WeakPolarHBondContact O-CB 3.33Å; M280-F284 VanDerWaalsContact O-CD2 3.23Å; M280-F284 WeakPolarHBondContact O-CD2 2.99Å; M280-F284 WeakPolarHBondContact O-CG 3.14Å; M280-F284 PolarHBondContact O-N 3.37Å; M280-L338 HydrophobicContact CB-CD2 4.29Å; M280-L434 HydrophobicContact CE-CB 4.33Å; M280-L434 HydrophobicContact CE-CD2 3.42Å; M280-L434 VanDerWaalsContact CE-CD2 3.42Å; M280-L434 HydrophobicContact CE-CG 4.5Å; M280-L434 HydrophobicContact SD-CD2 3.78Å; M280-L437 HydrophobicContact CE-CB 4.06Å; M280-L437 HydrophobicContact CE-CD1 4.47Å; M280-L437 HydrophobicContact SD-CB 4.4Å; M280-L437 HydrophobicContact SD-CD1 4.05Å; M280-F438 HydrophobicContact CB-CE1 4.43Å; M280-F438 HydrophobicContact CB-CZ 4.43Å; M280-F438 HydrophobicContact CE-CD1 3.74Å; M280-F438 HydrophobicContact CE-CD2 3.62Å; M280-F438 HydrophobicContact CE-CE1 3.55Å; M280-F438 HydrophobicContact CE-CE2 3.43Å; M280-F438 VanDerWaalsContact CE-CE2 3.43Å; M280-F438 HydrophobicContact CE-CG 3.76Å; M280-F438 HydrophobicContact CE-CZ 3.39Å; M280-F438 HydrophobicContact CG-CE1 4.21Å; M280-F438 HydrophobicContact CG-CZ 4.49Å |
| 281 | L | 74.3 | Confident | 67.7 | Low | 44 Ų | 44 | 62.7 Ų | 62.7 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 166.9 | -71.1 | 175 | 0 | 0 | 0 | 111.9 | H277 F279 R285 E335 L338 | H277-L281 WeakPolarHBondContact O-CG 3.2Å; H277-L281 PolarHBondContact O-N 2.69Å; F279-L281 PolarHBondContact O-N 2.93Å; L281-R285 WeakPolarHBondContact O-CB 3.29Å; L281-R285 PolarHBondContact O-N 3.25Å; L281-E335 HydrophobicContact CD2-CG 3.72Å; L281-L338 HydrophobicContact CD2-CD2 4.1Å; L281-L338 HydrophobicContact CG-CD2 4.32Å |
| 282 | G | 75.4 | Confident | 69.2 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -54.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q278 F279 M280 F284 R285 E286 | Q278-G282 PolarHBondContact O-N 3.17Å; F279-G282 CarbonylContact O-C 3.48Å; F279-G282 VanDerWaalsContact O-CA 3.25Å; F279-G282 WeakPolarHBondContact O-CA 3.49Å; F279-G282 PolarHBondContact O-N 3.44Å; M280-G282 VanDerWaalsContact C-N 3.32Å; G282-F284 PolarHBondContact O-N 2.95Å; G282-R285 CarbonylContact O-C 3.57Å; G282-R285 WeakPolarHBondContact O-CA 3.42Å; G282-R285 WeakPolarHBondContact O-CB 3.29Å; G282-R285 PolarHBondContact O-N 3.06Å; G282-E286 WeakPolarHBondContact O-CG 3.49Å; G282-E286 PolarHBondContact O-N 3.45Å |
| 283 | V | 78 | Confident | 70.4 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.6 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | F279 M280 R285 E286 I287 L434 | F279-V283 HydrophobicContact CD1-CG2 4.44Å; F279-V283 HydrophobicContact CD2-CG2 4.38Å; F279-V283 HydrophobicContact CE1-CG2 4.05Å; F279-V283 HydrophobicContact CE2-CG2 3.99Å; F279-V283 HydrophobicContact CZ-CG2 3.8Å; F279-V283 WeakPolarHBondContact O-CG2 3.36Å; F279-V283 PolarHBondContact O-N 2.98Å; M280-V283 PolarHBondContact O-N 2.85Å; V283-R285 VanDerWaalsContact C-N 3.29Å; V283-R285 PolarHBondContact O-N 3.39Å; V283-E286 PolarHBondContact O-N 3.41Å; V283-I287 HydrophobicContact CG1-CD1 3.84Å; V283-I287 HydrophobicContact CG1-CG1 4.4Å; V283-I287 VanDerWaalsContact O-CG1 3.23Å; V283-I287 WeakPolarHBondContact O-CG1 3.48Å; V283-I287 PolarHBondContact O-N 3.05Å; V283-L434 HydrophobicContact CB-CD2 4.4Å; V283-L434 HydrophobicContact CG1-CD2 3.84Å |
| 284 | F | 78.4 | Confident | 71 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 173.4 | -76.7 | -46 | 0 | 0 | 0 | 112.6 | M280 G282 K288 I331 C334 L338 V350 L434 F438 | M280-F284 WeakPolarHBondContact O-CB 3.33Å; M280-F284 VanDerWaalsContact O-CD2 3.23Å; M280-F284 WeakPolarHBondContact O-CD2 2.99Å; M280-F284 WeakPolarHBondContact O-CG 3.14Å; M280-F284 PolarHBondContact O-N 3.37Å; G282-F284 PolarHBondContact O-N 2.95Å; F284-K288 WeakPolarHBondContact O-CG 3.33Å; F284-K288 PolarHBondContact O-N 3.31Å; F284-K288 VanDerWaalsContact O-N 3.08Å; F284-I331 HydrophobicContact CB-CG2 4.19Å; F284-I331 HydrophobicContact CD1-CG2 3.79Å; F284-I331 HydrophobicContact CG-CG2 4.32Å; F284-C334 HydrophobicContact CE1-CB 3.85Å; F284-C334 HydrophobicContact CE2-CB 4.32Å; F284-C334 HydrophobicContact CZ-CB 3.61Å; F284-L338 HydrophobicContact CD2-CD2 4.31Å; F284-L338 HydrophobicContact CE2-CD2 3.97Å; F284-V350 HydrophobicContact CZ-CG2 4.31Å; F284-L434 HydrophobicContact CD1-CD1 4.1Å; F284-L434 HydrophobicContact CE1-CD1 3.66Å; F284-L434 HydrophobicContact CZ-CD1 4.44Å; F284-F438 HydrophobicContact CE2-CZ 4.12Å; F284-F438 HydrophobicContact CZ-CE2 4.17Å; F284-F438 HydrophobicContact CZ-CZ 4.23Å |
| 285 | R | 77.8 | Confident | 71.2 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.1 | -42.8 | 175.1 | -155.3 | -173.1 | 72.7 | -111.7 | -10.9 | 111.9 | L281 G282 V283 I287 K288 E289 | L281-R285 WeakPolarHBondContact O-CB 3.29Å; L281-R285 PolarHBondContact O-N 3.25Å; G282-R285 CarbonylContact O-C 3.57Å; G282-R285 WeakPolarHBondContact O-CA 3.42Å; G282-R285 WeakPolarHBondContact O-CB 3.29Å; G282-R285 PolarHBondContact O-N 3.06Å; V283-R285 VanDerWaalsContact C-N 3.29Å; V283-R285 PolarHBondContact O-N 3.39Å; R285-I287 VanDerWaalsContact C-N 3.34Å; R285-I287 PolarHBondContact O-N 3.28Å; R285-K288 WeakPolarHBondContact O-CB 3.49Å; R285-K288 PolarHBondContact O-N 2.94Å; R285-K288 VanDerWaalsContact O-N 3.14Å; R285-E289 WeakPolarHBondContact CD-OE1 3.4Å; R285-E289 WeakPolarHBondContact CG-OE1 3.47Å; R285-E289 IonicContact CZ-OE1 2.69Å; R285-E289 IonicContact NE-OE1 2.93Å; R285-E289 PolarHBondContact NE-OE1 3.4Å; R285-E289 IonicContact NH2-OE1 3.25Å; R285-E289 WeakPolarHBondContact O-CB 3.49Å; R285-E289 WeakPolarHBondContact O-CG 3.24Å; R285-E289 PolarHBondContact O-N 3.2Å |
| 286 | E | 77.1 | Confident | 70.9 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.5 | -42.9 | 174.5 | -73.4 | 172.1 | -171 | 0 | 0 | 111.8 | G282 V283 E289 F290 | G282-E286 WeakPolarHBondContact O-CG 3.49Å; G282-E286 PolarHBondContact O-N 3.45Å; V283-E286 PolarHBondContact O-N 3.41Å; E286-E289 PolarHBondContact O-N 2.71Å; E286-F290 WeakPolarHBondContact O-CB 3.49Å; E286-F290 PolarHBondContact O-N 2.5Å |
| 287 | I | 74.3 | Confident | 70.2 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 176.5 | -58.8 | 163.4 | 0 | 0 | 0 | 110.9 | V283 R285 I291 I331 Q430 L434 | V283-I287 HydrophobicContact CG1-CD1 3.84Å; V283-I287 HydrophobicContact CG1-CG1 4.4Å; V283-I287 VanDerWaalsContact O-CG1 3.23Å; V283-I287 WeakPolarHBondContact O-CG1 3.48Å; V283-I287 PolarHBondContact O-N 3.05Å; R285-I287 VanDerWaalsContact C-N 3.34Å; R285-I287 PolarHBondContact O-N 3.28Å; I287-I291 HydrophobicContact CG2-CD1 3.92Å; I287-I291 WeakPolarHBondContact O-CD1 3.5Å; I287-I291 VanDerWaalsContact O-CG1 3.25Å; I287-I291 WeakPolarHBondContact O-CG1 3.22Å; I287-I291 PolarHBondContact O-N 3.33Å; I287-I331 HydrophobicContact CB-CD1 4.35Å; I287-I331 HydrophobicContact CG2-CD1 3.49Å; I287-I331 VanDerWaalsContact CG2-CD1 3.49Å; I287-I331 HydrophobicContact CG2-CG1 4.41Å; I287-Q430 HydrophobicContact CD1-CB 3.97Å; I287-Q430 HydrophobicContact CD1-CG 4.31Å; I287-L434 HydrophobicContact CD1-CD1 3.88Å |
| 288 | K | 74.1 | Confident | 69.3 | Low | 49 Ų | 49 | 65.1 Ų | 65.1 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 172.7 | -81.5 | 177.3 | 166.9 | -173.2 | 0 | 112.1 | F284 R285 I291 I292 I331 S332 E335 | F284-K288 WeakPolarHBondContact O-CG 3.33Å; F284-K288 PolarHBondContact O-N 3.31Å; F284-K288 VanDerWaalsContact O-N 3.08Å; R285-K288 WeakPolarHBondContact O-CB 3.49Å; R285-K288 PolarHBondContact O-N 2.94Å; R285-K288 VanDerWaalsContact O-N 3.14Å; K288-I291 PolarHBondContact O-N 3.43Å; K288-I292 WeakPolarHBondContact O-CD1 3.29Å; K288-I292 VanDerWaalsContact O-CG1 3.31Å; K288-I292 WeakPolarHBondContact O-CG1 3.49Å; K288-I292 PolarHBondContact O-N 3.08Å; K288-I331 HydrophobicContact CD-CG2 4.35Å; K288-I331 HydrophobicContact CG-CG2 3.87Å; K288-S332 WeakPolarHBondContact CE-OG 3.42Å; K288-S332 PolarHBondContact NZ-OG 3.23Å; K288-S332 VanDerWaalsContact NZ-OG 3.11Å; K288-E335 WeakPolarHBondContact CE-OE2 3.29Å; K288-E335 IonicContact NZ-OE2 3.72Å; K288-E335 PolarHBondContact NZ-OE2 2.78Å |
| 289 | E | 74.5 | Confident | 67.6 | Low | 86 Ų | 86 | 64.6 Ų | 64.6 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 177.3 | -73.3 | 167.2 | -169.6 | 0 | 0 | 110.1 | R285 E286 I291 I292 D293 | R285-E289 WeakPolarHBondContact CD-OE1 3.4Å; R285-E289 WeakPolarHBondContact CG-OE1 3.47Å; R285-E289 IonicContact CZ-OE1 2.69Å; R285-E289 IonicContact NE-OE1 2.93Å; R285-E289 PolarHBondContact NE-OE1 3.4Å; R285-E289 IonicContact NH2-OE1 3.25Å; R285-E289 WeakPolarHBondContact O-CB 3.49Å; R285-E289 WeakPolarHBondContact O-CG 3.24Å; R285-E289 PolarHBondContact O-N 3.2Å; E286-E289 PolarHBondContact O-N 2.71Å; E289-I291 PolarHBondContact O-N 3.24Å; E289-I292 PolarHBondContact O-N 3.39Å; E289-I292 VanDerWaalsContact O-N 3.12Å; E289-D293 PolarHBondContact O-N 3.43Å |
| 290 | F | 70.6 | Confident | 65.2 | Low | 74 Ų | 74 | 65.5 Ų | 65.5 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 176.1 | 177.9 | -95 | 0 | 0 | 0 | 114.1 | E286 D293 I294 L426 | E286-F290 WeakPolarHBondContact O-CB 3.49Å; E286-F290 PolarHBondContact O-N 2.5Å; F290-D293 PolarHBondContact O-N 3.03Å; F290-I294 HydrophobicContact CD1-CD1 4.05Å; F290-I294 HydrophobicContact CE1-CD1 3.37Å; F290-I294 HydrophobicContact CE1-CG1 4.43Å; F290-I294 HydrophobicContact CE2-CD1 4.33Å; F290-I294 HydrophobicContact CZ-CD1 3.55Å; F290-I294 HydrophobicContact CZ-CG1 4.47Å; F290-I294 PolarHBondContact O-N 3.47Å; F290-L426 HydrophobicContact CE1-CD2 3.49Å; F290-L426 VanDerWaalsContact CE1-CD2 3.49Å; F290-L426 HydrophobicContact CE2-CD2 4.47Å; F290-L426 HydrophobicContact CZ-CD2 3.42Å; F290-L426 VanDerWaalsContact CZ-CD2 3.42Å |
| 291 | I | 69.4 | Low | 63.1 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 177.4 | -68.1 | 167 | 0 | 0 | 0 | 111.4 | I287 K288 E289 E295 L324 C327 K328 I331 T427 | I287-I291 HydrophobicContact CG2-CD1 3.92Å; I287-I291 WeakPolarHBondContact O-CD1 3.5Å; I287-I291 VanDerWaalsContact O-CG1 3.25Å; I287-I291 WeakPolarHBondContact O-CG1 3.22Å; I287-I291 PolarHBondContact O-N 3.33Å; K288-I291 PolarHBondContact O-N 3.43Å; E289-I291 PolarHBondContact O-N 3.24Å; I291-E295 PolarHBondContact O-N 3.45Å; I291-L324 HydrophobicContact CG2-CD2 3.81Å; I291-C327 HydrophobicContact CD1-CB 4.06Å; I291-K328 HydrophobicContact CG2-CD 4.36Å; I291-K328 HydrophobicContact CG2-CG 3.75Å; I291-I331 HydrophobicContact CD1-CD1 3.38Å; I291-T427 HydrophobicContact CD1-CG2 4.11Å |
| 292 | I | 69 | Low | 60.9 | Low | 89 Ų | 89 | 79.3 Ų | 79.3 | 46% | 0.456 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 173.7 | -67.8 | 164.1 | 0 | 0 | 0 | 110.6 | K288 E289 E295 S296 | K288-I292 WeakPolarHBondContact O-CD1 3.29Å; K288-I292 VanDerWaalsContact O-CG1 3.31Å; K288-I292 WeakPolarHBondContact O-CG1 3.49Å; K288-I292 PolarHBondContact O-N 3.08Å; E289-I292 PolarHBondContact O-N 3.39Å; E289-I292 VanDerWaalsContact O-N 3.12Å; I292-E295 WeakPolarHBondContact O-CB 3.48Å; I292-E295 PolarHBondContact O-N 2.88Å; I292-S296 PolarHBondContact O-N 3.49Å |
| 293 | D | 66.1 | Low | 58.4 | Low | 98 Ų | 98 | 83.9 Ų | 83.9 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 174.7 | -84.6 | -11.4 | 0 | 0 | 0 | 112.7 | E289 F290 E295 S296 N297 | E289-D293 PolarHBondContact O-N 3.43Å; F290-D293 PolarHBondContact O-N 3.03Å; D293-E295 VanDerWaalsContact C-N 3.33Å; D293-S296 PolarHBondContact O-N 2.78Å; D293-S296 PolarHBondContact O-OG 3.03Å; D293-N297 WeakPolarHBondContact O-CB 3.44Å; D293-N297 PolarHBondContact O-N 3.41Å; D293-N297 VanDerWaalsContact O-N 3.16Å; D293-N297 PolarHBondContact O-ND2 3.21Å |
| 294 | I | 62.6 | Low | 55.9 | Low | 37 Ų | 37 | 87.7 Ų | 87.7 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 172.7 | -74.2 | 175.4 | 0 | 0 | 0 | 111.4 | F290 N297 L298 L324 L423 | F290-I294 HydrophobicContact CD1-CD1 4.05Å; F290-I294 HydrophobicContact CE1-CD1 3.37Å; F290-I294 HydrophobicContact CE1-CG1 4.43Å; F290-I294 HydrophobicContact CE2-CD1 4.33Å; F290-I294 HydrophobicContact CZ-CD1 3.55Å; F290-I294 HydrophobicContact CZ-CG1 4.47Å; F290-I294 PolarHBondContact O-N 3.47Å; I294-N297 CarbonylContact O-C 3.54Å; I294-N297 PolarHBondContact O-N 2.93Å; I294-L298 WeakPolarHBondContact O-CD1 3.31Å; I294-L324 HydrophobicContact CG2-CD2 4.31Å; I294-L423 HydrophobicContact CD1-CD1 3.58Å; I294-L423 HydrophobicContact CG2-CD1 4.31Å |
| 295 | E | 60 | Low | 53.5 | Low | 78 Ų | 78 | 92.8 Ų | 92.8 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 176.9 | -174.4 | 175.9 | -96.9 | 0 | 0 | 112.5 | I291 I292 D293 N297 L298 K328 | I291-E295 PolarHBondContact O-N 3.45Å; I292-E295 WeakPolarHBondContact O-CB 3.48Å; I292-E295 PolarHBondContact O-N 2.88Å; D293-E295 VanDerWaalsContact C-N 3.33Å; E295-N297 PolarHBondContact O-N 3.38Å; E295-L298 PolarHBondContact O-N 2.87Å; E295-K328 IonicContact OE1-NZ 3.32Å; E295-K328 PolarHBondContact OE1-NZ 2.79Å; E295-K328 IonicContact OE2-NZ 2.75Å; E295-K328 PolarHBondContact OE2-NZ 3.32Å |
| 296 | S | 56.4 | Low | 51 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 57% | 0.573 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.2 | -21.8 | 174 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | I292 D293 | I292-S296 PolarHBondContact O-N 3.49Å; D293-S296 PolarHBondContact O-N 2.78Å; D293-S296 PolarHBondContact O-OG 3.03Å |
| 297 | N | 51 | Low | 48.6 | Very low | 106 Ų | 106 | 92.2 Ų | 92.2 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 21.2 | 175 | -76.8 | -82.2 | 0 | 0 | 0 | 114.1 | D293 I294 E295 R419 | D293-N297 WeakPolarHBondContact O-CB 3.44Å; D293-N297 PolarHBondContact O-N 3.41Å; D293-N297 VanDerWaalsContact O-N 3.16Å; D293-N297 PolarHBondContact O-ND2 3.21Å; I294-N297 CarbonylContact O-C 3.54Å; I294-N297 PolarHBondContact O-N 2.93Å; E295-N297 PolarHBondContact O-N 3.38Å; N297-R419 PolarHBondContact O-NH1 3.38Å |
| 298 | L | 47.4 | Very low | 46.5 | Very low | 80 Ų | 80 | 99.6 Ų | 99.6 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -108.9 | 125.5 | 162.1 | -97.6 | 71.1 | 0 | 0 | 0 | 110 | I294 E295 C300 | I294-L298 WeakPolarHBondContact O-CD1 3.31Å; E295-L298 PolarHBondContact O-N 2.87Å; L298-C300 PolarHBondContact O-N 3.41Å |
| 299 | P | 32.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 102.5 Ų | 102.5 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -78.2 | 89.3 | -175.7 | 31.4 | -35.2 | 0 | 0 | 0 | 112.3 | ||||
| 300 | C | 27.4 | Very low | 41.9 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | trans | -94 | 108 | 161.4 | -81.2 | 0 | 0 | 0 | 0 | 110.2 | L298 | L298-C300 PolarHBondContact O-N 3.41Š| ||
| 301 | T | 29.1 | Very low | 39.8 | Very low | 138 Ų | 138 | 106.3 Ų | 106.3 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | trans | -70.7 | 146 | 177.4 | 40.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 302 | K | 27 | Very low | 38.1 | Very low | 196 Ų | 196 | 110.5 Ų | 110.5 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | trans | -84.4 | 155.1 | 170.8 | -65.7 | 179 | -179.3 | 176.5 | 0 | 110.2 | ||||
| 303 | S | 24.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 109.9 Ų | 109.9 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | 90 | 118.9 | 167 | 74.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 304 | S | 25.8 | Very low | 34.9 | Very low | 102 Ų | 102 | 110 Ų | 110 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | trans | 46.9 | 110.1 | 141.8 | 55.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 305 | S | 27.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 115 Ų | 115 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | 70.2 | 144.2 | 139.5 | 63.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 306 | I | 25.5 | Very low | 31.9 | Very low | 174 Ų | 174 | 112.4 Ų | 112.4 | 89% | 0.892 | 69% | 0.686 | S | S | * | * | trans | 78.3 | 123.8 | 175.6 | -50.7 | 173.1 | 0 | 0 | 0 | 115 | ||||
| 307 | G | 26.6 | Very low | 30.5 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | 98.1 | 104.7 | 155 | 0 | 0 | 0 | 0 | 0 | 117 | S309 | G307-S309 PolarHBondContact O-N 3.12Š| ||
| 308 | D | 29.5 | Very low | 29.5 | Very low | 164 Ų | 164 | 108.8 Ų | 108.8 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | trans | -69.3 | 109.5 | 158.6 | -78 | -68.9 | 0 | 0 | 0 | 110 | ||||
| 309 | S | 25.9 | Very low | 28.5 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | trans | 164 | 81.5 | 146.3 | 42.9 | 0 | 0 | 0 | 0 | 113.3 | G307 | G307-S309 PolarHBondContact O-N 3.12Š| ||
| 310 | T | 25.4 | Very low | 28.5 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 96% | 0.963 | 69% | 0.692 | S | S | * | * | trans | -169.7 | 74.3 | 153.7 | 9.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 311 | S | 27.5 | Very low | 29.3 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 59% | 0.587 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -140.7 | 127.9 | 158.5 | 60.2 | 0 | 0 | 0 | 0 | 107.6 | V313 | S311-V313 WeakPolarHBondContact O-CG2 3.48Å; S311-V313 PolarHBondContact O-N 3.07Å; S311-V313 VanDerWaalsContact O-N 3.17Å |
| 312 | V | 33.7 | Very low | 30.5 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 53% | 0.533 | 65% | 0.652 | S | S | . | * | trans | -65.9 | 116.3 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 108 | N416 E417 | V312-N416 HydrophobicContact CG2-CB 4.48Å; V312-E417 HydrophobicContact CG1-CG 4.22Å | ||
| 313 | V | 32.8 | Very low | 32.1 | Very low | 75 Ų | 75 | 101.9 Ų | 101.9 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | trans | -119.6 | 117.1 | -169 | 159.6 | 0 | 0 | 0 | 0 | 109.3 | S311 N315 | S311-V313 WeakPolarHBondContact O-CG2 3.48Å; S311-V313 PolarHBondContact O-N 3.07Å; S311-V313 VanDerWaalsContact O-N 3.17Å; V313-N315 HydrophobicContact CG1-CB 3.95Å; V313-N315 PolarHBondContact O-N 3.37Å | ||
| 314 | I | 35.1 | Very low | 34 | Very low | 100 Ų | 100 | 97.6 Ų | 97.6 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | trans | -70 | 100 | 161.2 | -61.5 | 179.4 | 0 | 0 | 0 | 106.4 | S316 | I314-S316 PolarHBondContact O-N 2.89Š| ||
| 315 | N | 27.1 | Very low | 35.8 | Very low | 142 Ų | 142 | 95.2 Ų | 95.2 | 76% | 0.759 | 57% | 0.568 | S | S | * | * | trans | -84 | 101.5 | -164.7 | -142.5 | -0.3 | 0 | 0 | 0 | 111.1 | V313 | V313-N315 HydrophobicContact CG1-CB 3.95Å; V313-N315 PolarHBondContact O-N 3.37Å | ||
| 316 | S | 32.3 | Very low | 37.7 | Very low | 25 Ų | 25 | 91.1 Ų | 91.1 | 18% | 0.175 | 54% | 0.536 | C | S | . | . | trans | -155.6 | 156.1 | 148 | -1.4 | 0 | 0 | 0 | 0 | 109.4 | I314 Y733 | I314-S316 PolarHBondContact O-N 2.89Å; S316-Y733 VanDerWaalsContact CB-CE2 3.44Å; S316-Y733 VanDerWaalsContact CB-CZ 3.44Å; S316-Y733 PolarHBondContact O-OH 3.15Å; S316-Y733 VanDerWaalsContact O-OH 3.14Å; S316-Y733 PolarHBondContact OG-OH 3.09Å | ||
| 317 | G | 27.1 | Very low | 39.8 | Very low | 38 Ų | 38 | 83 Ų | 83 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -74.1 | 146.4 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | F730 | G317-F730 VanDerWaalsContact N-CE1 3.34Š|
| 318 | G | 29.4 | Very low | 41.9 | Very low | 73 Ų | 73 | 81.6 Ų | 81.6 | 75% | 0.753 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 127 | -41.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 319 | F | 27.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 77.6 Ų | 77.6 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -144.8 | 119.1 | -179.2 | -88.4 | -72.8 | 0 | 0 | 0 | 112 | I321 L707 | F319-I321 PolarHBondContact O-N 3.23Å; F319-I321 VanDerWaalsContact O-N 3.08Å; F319-L707 HydrophobicContact CB-CD1 4.1Å; F319-L707 HydrophobicContact CD1-CD1 3.49Å; F319-L707 VanDerWaalsContact CD1-CD1 3.49Å; F319-L707 HydrophobicContact CE1-CD1 4.25Å; F319-L707 HydrophobicContact CG-CD1 4.12Å | ||
| 320 | R | 31.1 | Very low | 45.9 | Very low | 224 Ų | 224 | 72.4 Ų | 72.4 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | trans | -72.3 | 96.4 | 170 | -68.8 | 179.9 | 176 | 175.2 | -2.2 | 109.3 | ||||
| 321 | I | 43.9 | Very low | 48.3 | Very low | 89 Ų | 89 | 65 Ų | 65 | 46% | 0.456 | 36% | 0.36 | S | S | . | . | trans | -103.6 | 117.8 | 166.9 | -62.6 | 170.4 | 0 | 0 | 0 | 107.2 | F319 L707 | F319-I321 PolarHBondContact O-N 3.23Å; F319-I321 VanDerWaalsContact O-N 3.08Å; I321-L707 HydrophobicContact CD1-CD1 4.38Å; I321-L707 HydrophobicContact CG1-CD1 3.56Å; I321-L707 HydrophobicContact CG1-CG 4.16Å | ||
| 322 | C | 54.5 | Low | 50.6 | Low | 58 Ų | 58 | 63.2 Ų | 63.2 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -76.4 | 137.2 | 169.6 | -163.7 | 0 | 0 | 0 | 0 | 109.8 | L324 D325 Y326 | C322-L324 PolarHBondContact O-N 3.48Å; C322-D325 HydrophobicContact CB-CB 4.26Å; C322-D325 WeakPolarHBondContact CB-OD2 3.35Å; C322-D325 WeakPolarHBondContact O-CB 3.46Å; C322-D325 PolarHBondContact O-N 3.31Å; C322-D325 VanDerWaalsContact O-N 3.15Å; C322-Y326 PolarHBondContact O-N 3.04Å | ||
| 323 | V | 61 | Low | 52.4 | Low | 32 Ų | 32 | 61.1 Ų | 61.1 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | Y326 C327 L424 | V323-Y326 PolarHBondContact O-N 3.26Å; V323-C327 PolarHBondContact O-N 2.99Å; V323-C327 PolarHBondContact O-SG 3.45Å; V323-L424 HydrophobicContact CG1-CD1 4.33Å; V323-L424 HydrophobicContact CG1-CD2 3.6Å; V323-L424 HydrophobicContact CG1-CG 3.91Å |
| 324 | L | 63.8 | Low | 54.4 | Low | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 173.4 | -69.6 | 159.7 | 0 | 0 | 0 | 111.7 | I291 I294 C322 Y326 C327 K328 L423 | I291-L324 HydrophobicContact CG2-CD2 3.81Å; I294-L324 HydrophobicContact CG2-CD2 4.31Å; C322-L324 PolarHBondContact O-N 3.48Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.43Å; L324-C327 PolarHBondContact O-N 3.16Å; L324-K328 WeakPolarHBondContact O-CB 3.45Å; L324-K328 VanDerWaalsContact O-CG 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.4Å; L324-K328 PolarHBondContact O-N 2.84Å; L324-L423 HydrophobicContact CD2-CD1 3.94Å; L324-L423 HydrophobicContact CD2-CD2 3.53Å; L324-L423 HydrophobicContact CD2-CG 4.39Å; L324-L423 HydrophobicContact CG-CD2 4.13Å |
| 325 | D | 63.8 | Low | 56.3 | Low | 52 Ų | 52 | 55.4 Ų | 55.4 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 176.1 | -71.5 | -36.6 | 0 | 0 | 0 | 112.1 | C322 K328 R329 | C322-D325 HydrophobicContact CB-CB 4.26Å; C322-D325 WeakPolarHBondContact CB-OD2 3.35Å; C322-D325 WeakPolarHBondContact O-CB 3.46Å; C322-D325 PolarHBondContact O-N 3.31Å; C322-D325 VanDerWaalsContact O-N 3.15Å; D325-K328 PolarHBondContact O-N 3.35Å; D325-R329 WeakPolarHBondContact O-CB 3.48Å; D325-R329 WeakPolarHBondContact O-CG 3.48Å; D325-R329 PolarHBondContact O-N 2.95Å |
| 326 | Y | 68.5 | Low | 58.4 | Low | 21 Ų | 21 | 52.2 Ų | 52.2 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 177.4 | -179.3 | -93.6 | 0 | 0 | 0 | 111.2 | C322 V323 L324 R329 A330 F353 H356 L357 L360 L706 | C322-Y326 PolarHBondContact O-N 3.04Å; V323-Y326 PolarHBondContact O-N 3.26Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.43Å; Y326-R329 PolarHBondContact O-N 3.13Å; Y326-A330 WeakPolarHBondContact O-CB 3.47Å; Y326-A330 PolarHBondContact O-N 2.99Å; Y326-F353 WeakPolarHBondContact OH-CD1 3.18Å; Y326-H356 AromaticContact CZ-ND1 3.54Å; Y326-H356 PolarHBondContact OH-ND1 3.47Å; Y326-L357 HydrophobicContact CD1-CD2 3.83Å; Y326-L357 HydrophobicContact CE1-CD2 3.7Å; Y326-L357 HydrophobicContact CE1-CG 4.24Å; Y326-L360 HydrophobicContact CD1-CD1 4.33Å; Y326-L360 HydrophobicContact CE1-CD1 4.32Å; Y326-L706 HydrophobicContact CD2-CD1 4.16Å; Y326-L706 HydrophobicContact CE2-CD1 3.88Å |
| 327 | C | 68.3 | Low | 60.2 | Low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | I291 V323 L324 R329 A330 I331 | I291-C327 HydrophobicContact CD1-CB 4.06Å; V323-C327 PolarHBondContact O-N 2.99Å; V323-C327 PolarHBondContact O-SG 3.45Å; L324-C327 PolarHBondContact O-N 3.16Å; C327-R329 VanDerWaalsContact C-N 3.34Å; C327-R329 PolarHBondContact O-N 3.12Å; C327-A330 PolarHBondContact O-N 3.16Å; C327-I331 WeakPolarHBondContact O-CD1 3.23Å; C327-I331 VanDerWaalsContact O-CG1 3.3Å; C327-I331 WeakPolarHBondContact O-CG1 3.49Å; C327-I331 PolarHBondContact O-N 2.93Å |
| 328 | K | 71.8 | Confident | 62.5 | Low | 41 Ų | 41 | 49.4 Ų | 49.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.7 | -45.2 | 175.2 | -75.4 | 170.9 | 170.9 | 179.9 | 0 | 112.5 | I291 E295 L324 D325 S332 | I291-K328 HydrophobicContact CG2-CD 4.36Å; I291-K328 HydrophobicContact CG2-CG 3.75Å; E295-K328 IonicContact OE1-NZ 3.32Å; E295-K328 PolarHBondContact OE1-NZ 2.79Å; E295-K328 IonicContact OE2-NZ 2.75Å; E295-K328 PolarHBondContact OE2-NZ 3.32Å; L324-K328 WeakPolarHBondContact O-CB 3.45Å; L324-K328 VanDerWaalsContact O-CG 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.4Å; L324-K328 PolarHBondContact O-N 2.84Å; D325-K328 PolarHBondContact O-N 3.35Å; K328-S332 WeakPolarHBondContact O-CB 3.39Å; K328-S332 PolarHBondContact O-N 3.34Å; K328-S332 PolarHBondContact O-OG 2.93Å |
| 329 | R | 67.5 | Low | 64.3 | Low | 80 Ų | 80 | 49.2 Ų | 49.2 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -43.6 | 178.9 | -73.7 | 179.5 | -176.5 | 130.3 | 17.3 | 111.7 | D325 Y326 C327 I331 S332 Q333 L706 | D325-R329 WeakPolarHBondContact O-CB 3.48Å; D325-R329 WeakPolarHBondContact O-CG 3.48Å; D325-R329 PolarHBondContact O-N 2.95Å; Y326-R329 PolarHBondContact O-N 3.13Å; C327-R329 VanDerWaalsContact C-N 3.34Å; C327-R329 PolarHBondContact O-N 3.12Å; R329-I331 PolarHBondContact O-N 2.84Å; R329-S332 PolarHBondContact O-N 2.79Å; R329-Q333 WeakPolarHBondContact O-CG 3.39Å; R329-Q333 PolarHBondContact O-N 3.07Å; R329-L706 PolarHBondContact NH1-O 3.3Å |
| 330 | A | 70.7 | Confident | 66 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y326 C327 S332 Q333 C334 F353 | Y326-A330 WeakPolarHBondContact O-CB 3.47Å; Y326-A330 PolarHBondContact O-N 2.99Å; C327-A330 PolarHBondContact O-N 3.16Å; A330-S332 PolarHBondContact O-N 3.49Å; A330-Q333 PolarHBondContact O-N 2.74Å; A330-C334 PolarHBondContact O-N 3.26Å; A330-C334 PolarHBondContact O-SG 2.9Å; A330-F353 HydrophobicContact CB-CD1 3.73Å; A330-F353 HydrophobicContact CB-CD2 4.21Å; A330-F353 HydrophobicContact CB-CE1 3.83Å; A330-F353 HydrophobicContact CB-CE2 4.27Å; A330-F353 HydrophobicContact CB-CG 3.94Å; A330-F353 HydrophobicContact CB-CZ 4.1Å |
| 331 | I | 76.2 | Confident | 67.7 | Low | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.6 | -62.8 | 155.6 | 0 | 0 | 0 | 111.1 | F284 I287 K288 I291 C327 R329 Q333 C334 E335 M431 | F284-I331 HydrophobicContact CB-CG2 4.19Å; F284-I331 HydrophobicContact CD1-CG2 3.79Å; F284-I331 HydrophobicContact CG-CG2 4.32Å; I287-I331 HydrophobicContact CB-CD1 4.35Å; I287-I331 HydrophobicContact CG2-CD1 3.49Å; I287-I331 VanDerWaalsContact CG2-CD1 3.49Å; I287-I331 HydrophobicContact CG2-CG1 4.41Å; K288-I331 HydrophobicContact CD-CG2 4.35Å; K288-I331 HydrophobicContact CG-CG2 3.87Å; I291-I331 HydrophobicContact CD1-CD1 3.38Å; C327-I331 WeakPolarHBondContact O-CD1 3.23Å; C327-I331 VanDerWaalsContact O-CG1 3.3Å; C327-I331 WeakPolarHBondContact O-CG1 3.49Å; C327-I331 PolarHBondContact O-N 2.93Å; R329-I331 PolarHBondContact O-N 2.84Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.83Å; I331-C334 PolarHBondContact O-N 2.84Å; I331-E335 PolarHBondContact O-N 3.4Å; I331-M431 HydrophobicContact CB-CE 4.36Å; I331-M431 HydrophobicContact CG1-CE 3.39Å |
| 332 | S | 75.6 | Confident | 68.9 | Low | 46 Ų | 46 | 33.4 Ų | 33.4 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63 | -35.7 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | K288 K328 R329 A330 E335 E336 | K288-S332 WeakPolarHBondContact CE-OG 3.42Å; K288-S332 PolarHBondContact NZ-OG 3.23Å; K288-S332 VanDerWaalsContact NZ-OG 3.11Å; K328-S332 WeakPolarHBondContact O-CB 3.39Å; K328-S332 PolarHBondContact O-N 3.34Å; K328-S332 PolarHBondContact O-OG 2.93Å; R329-S332 PolarHBondContact O-N 2.79Å; A330-S332 PolarHBondContact O-N 3.49Å; S332-E335 PolarHBondContact O-N 2.87Å; S332-E336 WeakPolarHBondContact O-CB 3.41Å; S332-E336 PolarHBondContact O-N 3.13Å |
| 333 | Q | 72 | Confident | 69.6 | Low | 44 Ų | 44 | 32.5 Ų | 32.5 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.3 | -34.7 | 175.4 | -72.8 | 175.3 | -20.3 | 0 | 0 | 112.3 | R329 A330 I331 E335 E336 I337 F353 | R329-Q333 WeakPolarHBondContact O-CG 3.39Å; R329-Q333 PolarHBondContact O-N 3.07Å; A330-Q333 PolarHBondContact O-N 2.74Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.83Å; Q333-E335 VanDerWaalsContact C-N 3.33Å; Q333-E336 PolarHBondContact O-N 3.27Å; Q333-I337 VanDerWaalsContact O-CB 3.31Å; Q333-I337 WeakPolarHBondContact O-CB 3.43Å; Q333-I337 WeakPolarHBondContact O-CD1 3.36Å; Q333-I337 WeakPolarHBondContact O-CG1 3.43Å; Q333-I337 PolarHBondContact O-N 2.89Å; Q333-F353 HydrophobicContact CB-CE2 4.38Å; Q333-F353 HydrophobicContact CB-CZ 4.4Å |
| 334 | C | 75 | Confident | 70 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 169.5 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | F284 A330 I331 L338 V350 F353 | F284-C334 HydrophobicContact CE1-CB 3.85Å; F284-C334 HydrophobicContact CE2-CB 4.32Å; F284-C334 HydrophobicContact CZ-CB 3.61Å; A330-C334 PolarHBondContact O-N 3.26Å; A330-C334 PolarHBondContact O-SG 2.9Å; I331-C334 PolarHBondContact O-N 2.84Å; C334-L338 VanDerWaalsContact O-CB 3.29Å; C334-L338 WeakPolarHBondContact O-CB 3.47Å; C334-L338 PolarHBondContact O-N 3.31Å; C334-V350 HydrophobicContact CB-CG2 4.14Å; C334-V350 VanDerWaalsContact SG-CG2 3.54Å; C334-F353 VanDerWaalsContact SG-CD2 3.54Å |
| 335 | E | 75.5 | Confident | 70.2 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 25% | 0.252 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.8 | -169.4 | -171.9 | 158.7 | 0 | 0 | 112 | L281 K288 I331 S332 Q333 I337 L338 N339 | L281-E335 HydrophobicContact CD2-CG 3.72Å; K288-E335 WeakPolarHBondContact CE-OE2 3.29Å; K288-E335 IonicContact NZ-OE2 3.72Å; K288-E335 PolarHBondContact NZ-OE2 2.78Å; I331-E335 PolarHBondContact O-N 3.4Å; S332-E335 PolarHBondContact O-N 2.87Å; Q333-E335 VanDerWaalsContact C-N 3.33Å; E335-I337 PolarHBondContact O-N 3.04Å; E335-L338 PolarHBondContact O-N 3.27Å; E335-N339 PolarHBondContact O-N 3.2Å; E335-N339 VanDerWaalsContact O-N 3.1Å; E335-N339 PolarHBondContact O-ND2 3.49Å |
| 336 | E | 69.9 | Low | 70.7 | Confident | 76 Ų | 76 | 29.4 Ų | 29.4 | 36% | 0.355 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 175.4 | -172.2 | 173.3 | -142.6 | 0 | 0 | 111.2 | S332 Q333 N339 E340 R808 | S332-E336 WeakPolarHBondContact O-CB 3.41Å; S332-E336 PolarHBondContact O-N 3.13Å; Q333-E336 PolarHBondContact O-N 3.27Å; E336-N339 PolarHBondContact O-N 3.45Å; E336-E340 HydrophobicContact CG-CG 4.47Å; E336-E340 WeakPolarHBondContact O-CB 3.07Å; E336-E340 PolarHBondContact O-N 3.37Å; E336-R808 IonicContact OE1-NH1 2.69Å |
| 337 | I | 71.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.1 | -33.7 | 179.6 | -66.9 | 166.4 | 0 | 0 | 0 | 112 | Q333 E335 N339 L341 G342 C345 I349 F673 | Q333-I337 VanDerWaalsContact O-CB 3.31Å; Q333-I337 WeakPolarHBondContact O-CB 3.43Å; Q333-I337 WeakPolarHBondContact O-CD1 3.36Å; Q333-I337 WeakPolarHBondContact O-CG1 3.43Å; Q333-I337 PolarHBondContact O-N 2.89Å; E335-I337 PolarHBondContact O-N 3.04Å; I337-N339 VanDerWaalsContact C-N 3.3Å; I337-N339 PolarHBondContact O-N 2.88Å; I337-L341 HydrophobicContact CG2-CB 4.32Å; I337-L341 CarbonylContact O-C 3.58Å; I337-L341 WeakPolarHBondContact O-CA 3.44Å; I337-L341 PolarHBondContact O-N 3.2Å; I337-G342 PolarHBondContact O-N 3.13Å; I337-C345 HydrophobicContact CG2-CB 4.09Å; I337-I349 HydrophobicContact CD1-CB 4.45Å; I337-I349 HydrophobicContact CD1-CG1 4.19Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; I337-F673 HydrophobicContact CD1-CB 3.61Å |
| 338 | L | 74.9 | Confident | 71.2 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 172.1 | -178.9 | 63.3 | 0 | 0 | 0 | 111.4 | M280 L281 F284 C334 E335 G342 L343 A346 F438 | M280-L338 HydrophobicContact CB-CD2 4.29Å; L281-L338 HydrophobicContact CD2-CD2 4.1Å; L281-L338 HydrophobicContact CG-CD2 4.32Å; F284-L338 HydrophobicContact CD2-CD2 4.31Å; F284-L338 HydrophobicContact CE2-CD2 3.97Å; C334-L338 VanDerWaalsContact O-CB 3.29Å; C334-L338 WeakPolarHBondContact O-CB 3.47Å; C334-L338 PolarHBondContact O-N 3.31Å; E335-L338 PolarHBondContact O-N 3.27Å; L338-G342 VanDerWaalsContact O-CA 3.27Å; L338-G342 WeakPolarHBondContact O-CA 3.35Å; L338-G342 PolarHBondContact O-N 2.58Å; L338-G342 VanDerWaalsContact O-N 3.12Å; L338-L343 HydrophobicContact CD1-CD1 3.91Å; L338-L343 HydrophobicContact CD1-CG 4.19Å; L338-A346 HydrophobicContact CB-CB 3.91Å; L338-A346 HydrophobicContact CD1-CB 4.01Å; L338-F438 HydrophobicContact CD1-CE1 3.79Å; L338-F438 HydrophobicContact CD1-CZ 4.12Å; L338-F438 HydrophobicContact CD2-CE1 4.46Å; L338-F438 HydrophobicContact CD2-CZ 4.28Å |
| 339 | N | 68.3 | Low | 71.3 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 37% | 0.369 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -80 | -37.2 | -179.5 | -70.1 | -45.7 | 0 | 0 | 0 | 113.5 | H277 E335 E336 I337 | H277-N339 PolarHBondContact CE1-OD1 3.13Å; E335-N339 PolarHBondContact O-N 3.2Å; E335-N339 VanDerWaalsContact O-N 3.1Å; E335-N339 PolarHBondContact O-ND2 3.49Å; E336-N339 PolarHBondContact O-N 3.45Å; I337-N339 VanDerWaalsContact C-N 3.3Å; I337-N339 PolarHBondContact O-N 2.88Å |
| 340 | E | 63.6 | Low | 71.9 | Confident | 62 Ų | 62 | 24.8 Ų | 24.8 | 29% | 0.29 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -82.4 | -42.7 | 178.4 | -72.7 | -167.1 | 156.1 | 0 | 0 | 113 | E336 P670 R808 | E336-E340 HydrophobicContact CG-CG 4.47Å; E336-E340 WeakPolarHBondContact O-CB 3.07Å; E336-E340 PolarHBondContact O-N 3.37Å; E340-P670 WeakPolarHBondContact OE2-CG 3.3Å; E340-R808 IonicContact OE1-NH1 3.41Å; E340-R808 PolarHBondContact OE1-NH1 3.5Å |
| 341 | L | 66.3 | Low | 72.1 | Confident | 20 Ų | 20 | 29.1 Ų | 29.1 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -123.6 | 4.7 | -170.3 | -67.9 | -173 | 0 | 0 | 0 | 115.3 | I337 C345 Y469 S674 L807 | I337-L341 HydrophobicContact CG2-CB 4.32Å; I337-L341 CarbonylContact O-C 3.58Å; I337-L341 WeakPolarHBondContact O-CA 3.44Å; I337-L341 PolarHBondContact O-N 3.2Å; L341-C345 HydrophobicContact CB-CB 3.64Å; L341-C345 HydrophobicContact CD1-CB 4.37Å; L341-C345 WeakPolarHBondContact O-CB 3.46Å; L341-C345 PolarHBondContact O-SG 2.95Å; L341-Y469 WeakPolarHBondContact O-CD1 3.39Å; L341-Y469 WeakPolarHBondContact O-CE1 3.48Å; L341-S674 VanDerWaalsContact CD1-CB 3.41Å; L341-L807 HydrophobicContact CD2-CD1 4.34Å |
| 342 | G | 69.1 | Low | 71.9 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 17% | 0.165 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | 75.2 | -178.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I337 L338 W344 C345 A346 | I337-G342 PolarHBondContact O-N 3.13Å; L338-G342 VanDerWaalsContact O-CA 3.27Å; L338-G342 WeakPolarHBondContact O-CA 3.35Å; L338-G342 PolarHBondContact O-N 2.58Å; L338-G342 VanDerWaalsContact O-N 3.12Å; G342-W344 PolarHBondContact O-N 3.03Å; G342-C345 PolarHBondContact O-N 3.42Å; G342-A346 PolarHBondContact O-N 2.91Å; G342-A346 VanDerWaalsContact O-N 3.13Å |
| 343 | L | 69.3 | Low | 71.9 | Confident | 39 Ų | 39 | 28.5 Ų | 28.5 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56 | -54.9 | -163.9 | -89.5 | 67.9 | 0 | 0 | 0 | 114.5 | F276 L338 C345 A346 A347 F438 | F276-L343 HydrophobicContact CD1-CD2 3.89Å; F276-L343 HydrophobicContact CE1-CD2 3.88Å; F276-L343 HydrophobicContact CE1-CG 4.49Å; L338-L343 HydrophobicContact CD1-CD1 3.91Å; L338-L343 HydrophobicContact CD1-CG 4.19Å; L343-C345 PolarHBondContact O-N 3.08Å; L343-A346 WeakPolarHBondContact O-CB 3.49Å; L343-A346 PolarHBondContact O-N 3.4Å; L343-A347 WeakPolarHBondContact O-CB 3.29Å; L343-A347 PolarHBondContact O-N 2.79Å; L343-F438 HydrophobicContact CB-CD1 4.19Å; L343-F438 HydrophobicContact CD2-CD1 4.49Å; L343-F438 HydrophobicContact CG-CD1 3.98Å; L343-F438 HydrophobicContact CG-CE1 4.1Å |
| 344 | W | 68.7 | Low | 72.1 | Confident | 39 Ų | 39 | 26.7 Ų | 26.7 | 15% | 0.148 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.3 | -34.3 | -172.3 | 176.3 | 114.9 | 0 | 0 | 0 | 111.9 | G342 A347 Q348 F442 Y469 R680 L681 E684 | G342-W344 PolarHBondContact O-N 3.03Å; W344-A347 WeakPolarHBondContact O-CB 3.49Å; W344-A347 PolarHBondContact O-N 3.44Å; W344-Q348 HydrophobicContact CD2-CG 4.09Å; W344-Q348 HydrophobicContact CE3-CG 3.86Å; W344-Q348 HydrophobicContact CH2-CG 3.82Å; W344-Q348 HydrophobicContact CZ2-CG 4.07Å; W344-Q348 HydrophobicContact CZ3-CG 3.7Å; W344-Q348 WeakPolarHBondContact O-CG 3.46Å; W344-Q348 PolarHBondContact O-N 3.44Å; W344-F442 HydrophobicContact CB-CD2 3.9Å; W344-F442 HydrophobicContact CB-CE2 3.91Å; W344-F442 AromaticContact CD1-CD1 3.92Å; W344-F442 AromaticContact CD1-CD2 3.79Å; W344-F442 AromaticContact CD1-CE1 3.74Å; W344-F442 AromaticContact CD1-CE2 3.61Å; W344-F442 AromaticContact CD1-CG 3.94Å; W344-F442 AromaticContact CD1-CZ 3.59Å; W344-F442 HydrophobicContact CG-CD2 4.26Å; W344-F442 HydrophobicContact CG-CE2 4.05Å; W344-F442 HydrophobicContact CG-CZ 4.36Å; W344-Y469 WeakPolarHBondContact CB-OH 3.22Å; W344-R680 HydrophobicContact CH2-CG 4.49Å; W344-L681 HydrophobicContact CD2-CD1 4.35Å; W344-L681 HydrophobicContact CE3-CD1 3.71Å; W344-L681 HydrophobicContact CH2-CB 4.17Å; W344-L681 HydrophobicContact CH2-CD1 4.33Å; W344-L681 HydrophobicContact CZ3-CB 3.74Å; W344-L681 HydrophobicContact CZ3-CD1 3.72Å; W344-L681 HydrophobicContact CZ3-CG 4.34Å; W344-E684 HydrophobicContact CH2-CG 4.48Å; W344-E684 HydrophobicContact CZ2-CG 4.47Å |
| 345 | C | 69.4 | Low | 72.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 172.1 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | I337 L341 G342 L343 I349 A677 | I337-C345 HydrophobicContact CG2-CB 4.09Å; L341-C345 HydrophobicContact CB-CB 3.64Å; L341-C345 HydrophobicContact CD1-CB 4.37Å; L341-C345 WeakPolarHBondContact O-CB 3.46Å; L341-C345 PolarHBondContact O-SG 2.95Å; G342-C345 PolarHBondContact O-N 3.42Å; L343-C345 PolarHBondContact O-N 3.08Å; C345-I349 WeakPolarHBondContact O-CG1 3.36Å; C345-I349 PolarHBondContact O-N 3.35Å; C345-A677 HydrophobicContact CB-CB 4.17Å |
| 346 | A | 74 | Confident | 71.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L338 G342 L343 Q348 I349 V350 F438 | L338-A346 HydrophobicContact CB-CB 3.91Å; L338-A346 HydrophobicContact CD1-CB 4.01Å; G342-A346 PolarHBondContact O-N 2.91Å; G342-A346 VanDerWaalsContact O-N 3.13Å; L343-A346 WeakPolarHBondContact O-CB 3.49Å; L343-A346 PolarHBondContact O-N 3.4Å; A346-Q348 PolarHBondContact O-N 2.86Å; A346-I349 PolarHBondContact O-N 3.41Å; A346-V350 WeakPolarHBondContact O-CB 3.39Å; A346-V350 VanDerWaalsContact O-CG2 3.31Å; A346-V350 WeakPolarHBondContact O-CG2 3.23Å; A346-V350 PolarHBondContact O-N 2.86Å; A346-F438 HydrophobicContact CB-CE2 4.39Å; A346-F438 HydrophobicContact CB-CZ 4.12Å |
| 347 | A | 72.9 | Confident | 72 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 7% | 0.066 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L343 W344 I349 V350 R351 F438 | L343-A347 WeakPolarHBondContact O-CB 3.29Å; L343-A347 PolarHBondContact O-N 2.79Å; W344-A347 WeakPolarHBondContact O-CB 3.49Å; W344-A347 PolarHBondContact O-N 3.44Å; A347-I349 VanDerWaalsContact C-N 3.32Å; A347-I349 PolarHBondContact O-N 2.8Å; A347-V350 PolarHBondContact O-N 3.33Å; A347-R351 WeakPolarHBondContact O-CG 3.22Å; A347-R351 PolarHBondContact O-N 3.03Å; A347-R351 VanDerWaalsContact O-N 3.08Å; A347-F438 HydrophobicContact CB-CB 3.52Å; A347-F438 HydrophobicContact CB-CD2 4.22Å; A347-F438 HydrophobicContact CB-CG 4.02Å |
| 348 | Q | 72.9 | Confident | 72.1 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 19% | 0.192 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.3 | -63.4 | -60.5 | -9.8 | 0 | 0 | 111.9 | W344 A346 R351 V352 | W344-Q348 HydrophobicContact CD2-CG 4.09Å; W344-Q348 HydrophobicContact CE3-CG 3.86Å; W344-Q348 HydrophobicContact CH2-CG 3.82Å; W344-Q348 HydrophobicContact CZ2-CG 4.07Å; W344-Q348 HydrophobicContact CZ3-CG 3.7Å; W344-Q348 WeakPolarHBondContact O-CG 3.46Å; W344-Q348 PolarHBondContact O-N 3.44Å; A346-Q348 PolarHBondContact O-N 2.86Å; Q348-R351 WeakPolarHBondContact O-CB 3.22Å; Q348-R351 PolarHBondContact O-N 3.18Å; Q348-V352 WeakPolarHBondContact O-CG2 3.09Å; Q348-V352 PolarHBondContact O-N 3.05Å; Q348-V352 VanDerWaalsContact O-N 3.16Å |
| 349 | I | 74.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75 | -36.2 | 179.3 | -65.2 | -56.4 | 0 | 0 | 0 | 112.4 | I337 C345 A346 A347 R351 V352 F353 F673 Y676 A677 | I337-I349 HydrophobicContact CD1-CB 4.45Å; I337-I349 HydrophobicContact CD1-CG1 4.19Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; C345-I349 WeakPolarHBondContact O-CG1 3.36Å; C345-I349 PolarHBondContact O-N 3.35Å; A346-I349 PolarHBondContact O-N 3.41Å; A347-I349 VanDerWaalsContact C-N 3.32Å; A347-I349 PolarHBondContact O-N 2.8Å; I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.39Å; I349-V352 PolarHBondContact O-N 3.38Å; I349-V352 VanDerWaalsContact O-N 3.1Å; I349-F353 HydrophobicContact CG2-CD2 3.59Å; I349-F353 HydrophobicContact CG2-CE2 3.36Å; I349-F353 HydrophobicContact CG2-CZ 4.37Å; I349-F353 WeakPolarHBondContact O-CD2 3.44Å; I349-F353 PolarHBondContact O-N 2.9Å; I349-F673 HydrophobicContact CD1-CB 3.97Å; I349-F673 HydrophobicContact CD1-CD1 4.36Å; I349-F673 WeakPolarHBondContact CD1-O 3.5Å; I349-F673 HydrophobicContact CG1-CB 4.32Å; I349-F673 HydrophobicContact CG2-CB 4.25Å; I349-Y676 HydrophobicContact CD1-CD1 3.99Å; I349-A677 HydrophobicContact CD1-CB 4.13Å; I349-A677 HydrophobicContact CG1-CB 3.91Å |
| 350 | V | 79.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 169.1 | 169.5 | 0 | 0 | 0 | 0 | 111 | F284 C334 A346 A347 V352 F353 A354 M431 L434 F438 | F284-V350 HydrophobicContact CZ-CG2 4.31Å; C334-V350 HydrophobicContact CB-CG2 4.14Å; C334-V350 VanDerWaalsContact SG-CG2 3.54Å; A346-V350 WeakPolarHBondContact O-CB 3.39Å; A346-V350 VanDerWaalsContact O-CG2 3.31Å; A346-V350 WeakPolarHBondContact O-CG2 3.23Å; A346-V350 PolarHBondContact O-N 2.86Å; A347-V350 PolarHBondContact O-N 3.33Å; V350-V352 PolarHBondContact O-N 3.48Å; V350-F353 PolarHBondContact O-N 3.12Å; V350-A354 WeakPolarHBondContact O-CB 3.36Å; V350-A354 PolarHBondContact O-N 3.05Å; V350-M431 HydrophobicContact CG1-CB 4.19Å; V350-M431 WeakPolarHBondContact CG1-O 3.28Å; V350-M431 HydrophobicContact CG1-SD 3.89Å; V350-M431 HydrophobicContact CG2-SD 4.24Å; V350-L434 HydrophobicContact CG1-CB 4.17Å; V350-F438 HydrophobicContact CG2-CE2 4.18Å |
| 351 | R | 75.3 | Confident | 71.9 | Confident | 91 Ų | 91 | 29.2 Ų | 29.2 | 34% | 0.343 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 173.5 | -67.8 | 167.6 | 83.5 | 93 | -12.4 | 112.8 | A347 Q348 I349 K355 S435 | A347-R351 WeakPolarHBondContact O-CG 3.22Å; A347-R351 PolarHBondContact O-N 3.03Å; A347-R351 VanDerWaalsContact O-N 3.08Å; Q348-R351 WeakPolarHBondContact O-CB 3.22Å; Q348-R351 PolarHBondContact O-N 3.18Å; I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.39Å; R351-K355 WeakPolarHBondContact O-CG 3.39Å; R351-K355 PolarHBondContact O-N 2.83Å; R351-K355 VanDerWaalsContact O-N 3.16Å; R351-S435 WeakPolarHBondContact CG-OG 3.39Å; R351-S435 PolarHBondContact NH1-OG 2.83Å |
| 352 | V | 73 | Confident | 72 | Confident | 31 Ų | 31 | 36 Ų | 36 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 175.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | Q348 I349 V350 K355 H356 Y676 | Q348-V352 WeakPolarHBondContact O-CG2 3.09Å; Q348-V352 PolarHBondContact O-N 3.05Å; Q348-V352 VanDerWaalsContact O-N 3.16Å; I349-V352 PolarHBondContact O-N 3.38Å; I349-V352 VanDerWaalsContact O-N 3.1Å; V350-V352 PolarHBondContact O-N 3.48Å; V352-K355 PolarHBondContact O-N 2.63Å; V352-H356 PolarHBondContact O-N 2.98Å; V352-Y676 HydrophobicContact CG2-CE1 4.07Å |
| 353 | F | 75.1 | Confident | 71.5 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 177.9 | -75.9 | -54.9 | 0 | 0 | 0 | 112.9 | Y326 A330 Q333 C334 I349 V350 K355 H356 L357 F673 | Y326-F353 WeakPolarHBondContact OH-CD1 3.18Å; A330-F353 HydrophobicContact CB-CD1 3.73Å; A330-F353 HydrophobicContact CB-CD2 4.21Å; A330-F353 HydrophobicContact CB-CE1 3.83Å; A330-F353 HydrophobicContact CB-CE2 4.27Å; A330-F353 HydrophobicContact CB-CG 3.94Å; A330-F353 HydrophobicContact CB-CZ 4.1Å; Q333-F353 HydrophobicContact CB-CE2 4.38Å; Q333-F353 HydrophobicContact CB-CZ 4.4Å; C334-F353 VanDerWaalsContact SG-CD2 3.54Å; I349-F353 HydrophobicContact CG2-CD2 3.59Å; I349-F353 HydrophobicContact CG2-CE2 3.36Å; I349-F353 HydrophobicContact CG2-CZ 4.37Å; I349-F353 WeakPolarHBondContact O-CD2 3.44Å; I349-F353 PolarHBondContact O-N 2.9Å; V350-F353 PolarHBondContact O-N 3.12Å; F353-K355 PolarHBondContact O-N 2.77Å; F353-H356 PolarHBondContact O-N 3.2Å; F353-H356 VanDerWaalsContact O-N 3.16Å; F353-L357 WeakPolarHBondContact O-CG 3.49Å; F353-L357 PolarHBondContact O-N 2.86Å; F353-F673 HydrophobicContact CE1-CE1 4.26Å; F353-F673 HydrophobicContact CE1-CE2 4.34Å; F353-F673 AromaticContact CE1-CZ 3.94Å; F353-F673 HydrophobicContact CE1-CZ 3.94Å; F353-F673 HydrophobicContact CZ-CD1 4.4Å; F353-F673 HydrophobicContact CZ-CD2 4.14Å; F353-F673 HydrophobicContact CZ-CE1 4.13Å; F353-F673 AromaticContact CZ-CE2 3.85Å; F353-F673 HydrophobicContact CZ-CE2 3.85Å; F353-F673 HydrophobicContact CZ-CG 4.41Å; F353-F673 AromaticContact CZ-CZ 3.84Å; F353-F673 HydrophobicContact CZ-CZ 3.84Å |
| 354 | A | 76.7 | Confident | 71.3 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V350 H356 L357 I358 M431 | V350-A354 WeakPolarHBondContact O-CB 3.36Å; V350-A354 PolarHBondContact O-N 3.05Å; A354-H356 VanDerWaalsContact C-N 3.29Å; A354-H356 PolarHBondContact O-N 2.99Å; A354-L357 PolarHBondContact O-N 3.42Å; A354-I358 WeakPolarHBondContact O-CD1 3.34Å; A354-I358 VanDerWaalsContact O-CG1 3.25Å; A354-I358 WeakPolarHBondContact O-CG1 3.06Å; A354-I358 PolarHBondContact O-N 3.04Å; A354-M431 HydrophobicContact CB-CB 4.05Å |
| 355 | K | 73.4 | Confident | 71 | Confident | 121 Ų | 121 | 36 Ų | 36 | 53% | 0.526 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 174.7 | -75.9 | 178.1 | 177.8 | -173.7 | 0 | 112.4 | R351 V352 F353 A359 F739 | R351-K355 WeakPolarHBondContact O-CG 3.39Å; R351-K355 PolarHBondContact O-N 2.83Å; R351-K355 VanDerWaalsContact O-N 3.16Å; V352-K355 PolarHBondContact O-N 2.63Å; F353-K355 PolarHBondContact O-N 2.77Å; K355-A359 PolarHBondContact O-N 3.04Å; K355-A359 VanDerWaalsContact O-N 3.07Å; K355-F739 HydrophobicContact CB-CE2 4.06Å; K355-F739 HydrophobicContact CB-CZ 3.96Å; K355-F739 HydrophobicContact CD-CE1 4.27Å; K355-F739 HydrophobicContact CD-CZ 3.88Å; K355-F739 HydrophobicContact CG-CZ 4.49Å |
| 356 | H | 70 | Confident | 70.4 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.1 | -40.4 | -179.4 | -163 | -158.9 | 0 | 0 | 0 | 112.7 | Y326 V352 F353 A354 A359 L360 L736 | Y326-H356 AromaticContact CZ-ND1 3.54Å; Y326-H356 PolarHBondContact OH-ND1 3.47Å; V352-H356 PolarHBondContact O-N 2.98Å; F353-H356 PolarHBondContact O-N 3.2Å; F353-H356 VanDerWaalsContact O-N 3.16Å; A354-H356 VanDerWaalsContact C-N 3.29Å; A354-H356 PolarHBondContact O-N 2.99Å; H356-A359 WeakPolarHBondContact O-CB 3.16Å; H356-A359 PolarHBondContact O-N 3.2Å; H356-L360 PolarHBondContact O-N 3.22Å; H356-L736 VanDerWaalsContact NE2-CD2 3.3Å; H356-L736 WeakPolarHBondContact NE2-CD2 3.42Å |
| 357 | L | 73.3 | Confident | 69.5 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | 174 | -69.3 | 169.2 | 0 | 0 | 0 | 112.1 | Y326 F353 A354 A359 L360 D361 L424 V428 M431 | Y326-L357 HydrophobicContact CD1-CD2 3.83Å; Y326-L357 HydrophobicContact CE1-CD2 3.7Å; Y326-L357 HydrophobicContact CE1-CG 4.24Å; F353-L357 WeakPolarHBondContact O-CG 3.49Å; F353-L357 PolarHBondContact O-N 2.86Å; A354-L357 PolarHBondContact O-N 3.42Å; L357-A359 VanDerWaalsContact C-N 3.34Å; L357-L360 HydrophobicContact CD2-CD1 4.4Å; L357-L360 PolarHBondContact O-N 2.96Å; L357-D361 PolarHBondContact O-N 3.18Å; L357-L424 HydrophobicContact CD2-CD2 3.99Å; L357-V428 HydrophobicContact CB-CG2 3.41Å; L357-V428 VanDerWaalsContact CB-CG2 3.41Å; L357-V428 HydrophobicContact CD1-CG2 4.44Å; L357-M431 HydrophobicContact CD1-CG 4.45Å |
| 358 | I | 75 | Confident | 68.5 | Low | 62 Ų | 62 | 47.4 Ų | 47.4 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 172 | -69.1 | 163.7 | 0 | 0 | 0 | 111.3 | A354 L360 R362 V428 | A354-I358 WeakPolarHBondContact O-CD1 3.34Å; A354-I358 VanDerWaalsContact O-CG1 3.25Å; A354-I358 WeakPolarHBondContact O-CG1 3.06Å; A354-I358 PolarHBondContact O-N 3.04Å; I358-L360 VanDerWaalsContact C-N 3.35Å; I358-R362 WeakPolarHBondContact O-CG 3.25Å; I358-R362 PolarHBondContact O-N 3.16Å; I358-R362 VanDerWaalsContact O-N 3.11Å; I358-V428 HydrophobicContact CD1-CG1 4Å; I358-V428 HydrophobicContact CG1-CG1 3.6Å; I358-V428 HydrophobicContact CG1-CG2 4.07Å |
| 359 | A | 68.9 | Low | 67.4 | Low | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K355 H356 L357 R362 Q363 | K355-A359 PolarHBondContact O-N 3.04Å; K355-A359 VanDerWaalsContact O-N 3.07Å; H356-A359 WeakPolarHBondContact O-CB 3.16Å; H356-A359 PolarHBondContact O-N 3.2Å; L357-A359 VanDerWaalsContact C-N 3.34Å; A359-R362 PolarHBondContact O-N 3.41Å; A359-Q363 PolarHBondContact O-N 3.15Å |
| 360 | L | 66 | Low | 66.1 | Low | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 175 | -80.9 | 164.9 | 0 | 0 | 0 | 112.9 | Y326 H356 L357 I358 R362 Q363 R364 L736 | Y326-L360 HydrophobicContact CD1-CD1 4.33Å; Y326-L360 HydrophobicContact CE1-CD1 4.32Å; H356-L360 PolarHBondContact O-N 3.22Å; L357-L360 HydrophobicContact CD2-CD1 4.4Å; L357-L360 PolarHBondContact O-N 2.96Å; I358-L360 VanDerWaalsContact C-N 3.35Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.5Å; L360-Q363 PolarHBondContact O-N 3.13Å; L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 PolarHBondContact O-N 3.34Å; L360-L736 HydrophobicContact CD2-CD1 4.1Å; L360-L736 HydrophobicContact CD2-CD2 3.91Å; L360-L736 HydrophobicContact CD2-CG 4.23Å; L360-L736 HydrophobicContact CG-CD2 4.39Å |
| 361 | D | 67 | Low | 64.4 | Low | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 177.8 | -169 | 41.6 | 0 | 0 | 0 | 112.3 | L357 R364 S365 R425 | L357-D361 PolarHBondContact O-N 3.18Å; D361-R364 PolarHBondContact O-N 2.97Å; D361-R364 IonicContact OD1-NE 3.66Å; D361-S365 WeakPolarHBondContact O-CB 3.31Å; D361-S365 PolarHBondContact O-N 2.79Å; D361-S365 PolarHBondContact O-OG 3.27Å; D361-R425 IonicContact OD1-NE 3.83Å; D361-R425 IonicContact OD1-NH2 2.74Å; D361-R425 IonicContact OD2-CZ 3.67Å; D361-R425 IonicContact OD2-NE 2.66Å; D361-R425 PolarHBondContact OD2-NE 3.49Å; D361-R425 IonicContact OD2-NH2 3.73Å; D361-R425 PolarHBondContact OD2-NH2 3.21Å; D361-R425 VanDerWaalsContact OD2-NH2 3.07Å |
| 362 | R | 67.8 | Low | 62.6 | Low | 162 Ų | 162 | 63.4 Ų | 63.4 | 61% | 0.611 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63 | -51.5 | 170.7 | -75 | 178 | -179.8 | -162.9 | -1.6 | 111.9 | I358 A359 L360 R364 S365 E366 | I358-R362 WeakPolarHBondContact O-CG 3.25Å; I358-R362 PolarHBondContact O-N 3.16Å; I358-R362 VanDerWaalsContact O-N 3.11Å; A359-R362 PolarHBondContact O-N 3.41Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.5Å; R362-R364 VanDerWaalsContact C-N 3.29Å; R362-R364 PolarHBondContact O-N 2.86Å; R362-S365 WeakPolarHBondContact O-CB 3.2Å; R362-S365 PolarHBondContact O-N 3.41Å; R362-S365 VanDerWaalsContact O-N 3.1Å; R362-E366 WeakPolarHBondContact O-CG 3.2Å; R362-E366 PolarHBondContact O-N 2.87Å |
| 363 | Q | 59.4 | Low | 61 | Low | 20 Ų | 20 | 69 Ų | 69 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 176.2 | -75.3 | -167 | -106.9 | 0 | 0 | 112.5 | A359 L360 S365 E366 I367 T735 | A359-Q363 PolarHBondContact O-N 3.15Å; L360-Q363 PolarHBondContact O-N 3.13Å; Q363-S365 VanDerWaalsContact C-N 3.31Å; Q363-S365 PolarHBondContact O-N 2.99Å; Q363-E366 PolarHBondContact O-N 3.42Å; Q363-I367 VanDerWaalsContact O-CG1 3.3Å; Q363-I367 WeakPolarHBondContact O-CG1 3.25Å; Q363-I367 PolarHBondContact O-N 3.34Å; Q363-T735 HydrophobicContact CG-CG2 4.48Å |
| 364 | R | 64.2 | Low | 59 | Low | 33 Ų | 33 | 74 Ų | 74 | 13% | 0.125 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 175.8 | -159.6 | -170.7 | 84.5 | 99.8 | 15.3 | 111.6 | L360 D361 R362 I367 L368 E417 S421 | L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 PolarHBondContact O-N 3.34Å; D361-R364 PolarHBondContact O-N 2.97Å; D361-R364 IonicContact OD1-NE 3.66Å; R362-R364 VanDerWaalsContact C-N 3.29Å; R362-R364 PolarHBondContact O-N 2.86Å; R364-I367 PolarHBondContact O-N 3.01Å; R364-L368 PolarHBondContact O-N 3.46Å; R364-L368 VanDerWaalsContact O-N 3.11Å; R364-E417 PolarHBondContact NH1-O 2.95Å; R364-S421 PolarHBondContact NH2-OG 3.37Å |
| 365 | S | 63.8 | Low | 56.8 | Low | 41 Ų | 41 | 80.5 Ų | 80.5 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.4 | -33.6 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 113 | D361 R362 Q363 K369 | D361-S365 WeakPolarHBondContact O-CB 3.31Å; D361-S365 PolarHBondContact O-N 2.79Å; D361-S365 PolarHBondContact O-OG 3.27Å; R362-S365 WeakPolarHBondContact O-CB 3.2Å; R362-S365 PolarHBondContact O-N 3.41Å; R362-S365 VanDerWaalsContact O-N 3.1Å; Q363-S365 VanDerWaalsContact C-N 3.31Å; Q363-S365 PolarHBondContact O-N 2.99Å; S365-K369 WeakPolarHBondContact O-CG 3.35Å; S365-K369 PolarHBondContact O-N 3.43Å |
| 366 | E | 54.9 | Low | 54.6 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 172 | -72.6 | 165.8 | -177.1 | 0 | 0 | 111.4 | R362 Q363 N370 | R362-E366 WeakPolarHBondContact O-CG 3.2Å; R362-E366 PolarHBondContact O-N 2.87Å; Q363-E366 PolarHBondContact O-N 3.42Å; E366-N370 VanDerWaalsContact O-CG 3.26Å; E366-N370 PolarHBondContact O-N 3.4Å; E366-N370 PolarHBondContact O-ND2 3.4Å |
| 367 | I | 55.5 | Low | 52.5 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 35% | 0.354 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.4 | -68.8 | 164.7 | 0 | 0 | 0 | 111.3 | Q363 R364 K369 N370 C371 | Q363-I367 VanDerWaalsContact O-CG1 3.3Å; Q363-I367 WeakPolarHBondContact O-CG1 3.25Å; Q363-I367 PolarHBondContact O-N 3.34Å; R364-I367 PolarHBondContact O-N 3.01Å; I367-K369 PolarHBondContact O-N 3.5Å; I367-N370 PolarHBondContact O-N 2.84Å; I367-C371 PolarHBondContact O-N 3.35Å; I367-C371 VanDerWaalsContact O-N 3.14Å; I367-C371 PolarHBondContact O-SG 3.49Å |
| 368 | L | 51.6 | Low | 50.3 | Low | 71 Ų | 71 | 92 Ų | 92 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.8 | -111.8 | 76.3 | 0 | 0 | 0 | 112.1 | R364 N370 C371 E372 | R364-L368 PolarHBondContact O-N 3.46Å; R364-L368 VanDerWaalsContact O-N 3.11Å; L368-N370 PolarHBondContact O-N 2.87Å; L368-C371 WeakPolarHBondContact O-CB 3.49Å; L368-C371 PolarHBondContact O-N 3.33Å; L368-E372 PolarHBondContact O-N 2.98Å; L368-E372 VanDerWaalsContact O-N 3.11Å |
| 369 | K | 51.2 | Low | 48 | Very low | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -33 | 178.2 | -76.3 | -173.9 | 172.7 | -167.9 | 0 | 113.4 | S365 I367 | S365-K369 WeakPolarHBondContact O-CG 3.35Å; S365-K369 PolarHBondContact O-N 3.43Å; I367-K369 PolarHBondContact O-N 3.5Å |
| 370 | N | 46.4 | Very low | 46.2 | Very low | 111 Ų | 111 | 105.1 Ų | 105.1 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77 | -23.3 | 176.7 | -67.9 | -16.8 | 0 | 0 | 0 | 112.8 | E366 I367 L368 V374 | E366-N370 VanDerWaalsContact O-CG 3.26Å; E366-N370 PolarHBondContact O-N 3.4Å; E366-N370 PolarHBondContact O-ND2 3.4Å; I367-N370 PolarHBondContact O-N 2.84Å; L368-N370 PolarHBondContact O-N 2.87Å; N370-V374 WeakPolarHBondContact O-CG2 3.15Å |
| 371 | C | 43.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 51% | 0.507 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -80.6 | -35.5 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | I367 L368 L373 V374 | I367-C371 PolarHBondContact O-N 3.35Å; I367-C371 VanDerWaalsContact O-N 3.14Å; I367-C371 PolarHBondContact O-SG 3.49Å; L368-C371 WeakPolarHBondContact O-CB 3.49Å; L368-C371 PolarHBondContact O-N 3.33Å; C371-L373 PolarHBondContact O-N 3.11Å; C371-V374 PolarHBondContact O-N 3.05Å |
| 372 | E | 38.7 | Very low | 42.6 | Very low | 137 Ų | 137 | 115 Ų | 115 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -24.9 | 179.1 | -69.5 | 179 | 143.9 | 0 | 0 | 113 | L368 V374 | L368-E372 PolarHBondContact O-N 2.98Å; L368-E372 VanDerWaalsContact O-N 3.11Å; E372-V374 PolarHBondContact O-N 3.04Å |
| 373 | L | 38.5 | Very low | 40.6 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -0.8 | 179.8 | -77.5 | 166.6 | 0 | 0 | 0 | 115.2 | C371 | C371-L373 PolarHBondContact O-N 3.11Š|
| 374 | V | 33 | Very low | 39.1 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -107.7 | -14.1 | -173.7 | -179.7 | 0 | 0 | 0 | 0 | 113.5 | N370 C371 E372 N376 | N370-V374 WeakPolarHBondContact O-CG2 3.15Å; C371-V374 PolarHBondContact O-N 3.05Å; E372-V374 PolarHBondContact O-N 3.04Å; V374-N376 PolarHBondContact O-N 3.27Å |
| 375 | N | 30.2 | Very low | 37.2 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -95.8 | 35.2 | -175.8 | -75.1 | -35.2 | 0 | 0 | 0 | 114.5 | ||
| 376 | N | 27.7 | Very low | 35.9 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -134.9 | 54.2 | 177.9 | -86.2 | -51.3 | 0 | 0 | 0 | 112.8 | V374 | V374-N376 PolarHBondContact O-N 3.27Š|
| 377 | D | 26.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -161.1 | 153.9 | 157.9 | -130.9 | -43.7 | 0 | 0 | 0 | 113.4 | K2487 | D377-K2487 WeakPolarHBondContact OD1-CE 3.49Å; D377-K2487 IonicContact OD1-NZ 3.37Å; D377-K2487 PolarHBondContact OD1-NZ 2.99Å; D377-K2487 WeakPolarHBondContact OD2-CE 3.48Å; D377-K2487 IonicContact OD2-NZ 3.78Å; D377-K2487 PolarHBondContact OD2-NZ 3.47Å |
| 378 | E | 26.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 56.9 | 91.6 | 175.6 | -93.1 | 168.7 | -126.9 | 0 | 0 | 119.4 | K2487 | E378-K2487 VanDerWaalsContact CD-NZ 3.34Å; E378-K2487 WeakPolarHBondContact OE1-CE 3.49Å; E378-K2487 IonicContact OE1-NZ 2.85Å; E378-K2487 PolarHBondContact OE1-NZ 3.05Å | ||
| 379 | K | 27.7 | Very low | 31.8 | Very low | 211 Ų | 211 | 139.5 Ų | 139.5 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | trans | -158.8 | 97.8 | 137.1 | -124 | 176.4 | -171.5 | 174.4 | 0 | 113.3 | ||||
| 380 | E | 30.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -156 | 141.2 | 154.5 | -136.8 | -169.3 | -131.5 | 0 | 0 | 114.3 | ||||
| 381 | K | 28.4 | Very low | 29.5 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 78.4 | 137.8 | 167.3 | -57 | 177.3 | 171.1 | 97.2 | 0 | 118.7 | ||||
| 382 | G | 28.9 | Very low | 28.6 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | 150.4 | 1.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 383 | E | 25.1 | Very low | 27.8 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -26.1 | 139.4 | -176.9 | -58 | 174.3 | 159.1 | 0 | 0 | 120.2 | ||||
| 384 | K | 27.7 | Very low | 27 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | -166.1 | 154.2 | 116.7 | -103.3 | 155.6 | -170.7 | 172.3 | 0 | 114.5 | |||||
| 385 | E | 25.2 | Very low | 26.7 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -104 | -163.7 | -169.5 | -28.2 | 171.6 | 100.1 | 0 | 0 | 112.5 | ||||
| 386 | P | 35.7 | Very low | 26.3 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 58% | 0.584 | 78% | 0.778 | S | S | * | * | cis | -133.8 | 176 | -24.2 | 28.9 | -8.8 | 0 | 0 | 0 | 114.1 | ||||
| 387 | N | 25.4 | Very low | 26.3 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | -179.2 | 155 | 118.4 | -96.3 | -46.7 | 0 | 0 | 0 | 116.6 | |||||
| 388 | S | 26.7 | Very low | 26.1 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 69.1 | 95.9 | 167.1 | 48.2 | 0 | 0 | 0 | 0 | 122.1 | ||
| 389 | S | 25 | Very low | 26 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 49.9 | 118.3 | 138.5 | 58.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 390 | T | 23.9 | Very low | 25.9 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | cis | 97 | 106.4 | -1.1 | -37.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 391 | S | 25.1 | Very low | 25.8 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -164.5 | 112.8 | 142.3 | 62.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 392 | C | 22.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 142 Ų | 142 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | 67.7 | 135.2 | 86.2 | -66.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 393 | K | 23.8 | Very low | 25.3 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | cis | -167.4 | 140.5 | 14.9 | -131.6 | 176.6 | -172.1 | 178.5 | 0 | 114.8 | ||||
| 394 | S | 21.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 58.2 | 162.1 | 143.2 | 54.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 395 | S | 25.2 | Very low | 25.1 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -114.7 | 173.6 | -167.5 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 396 | Y | 22.6 | Very low | 25.1 | Very low | 234 Ų | 234 | 142.2 Ų | 142.2 | 92% | 0.918 | 77% | 0.769 | S | S | * | * | -179.1 | 168.6 | 124.8 | -97.6 | -65.1 | 0 | 0 | 0 | 112.9 | |||||
| 397 | K | 26.5 | Very low | 24.6 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -99.4 | 153.8 | -175.2 | -84.4 | -169.4 | 172.3 | -167.4 | 0 | 114.2 | ||||
| 398 | A | 22.7 | Very low | 24.5 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -160.2 | 149.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 399 | D | 25.6 | Very low | 24.5 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -115.2 | 155.6 | -177.9 | -55.1 | -79.3 | 0 | 0 | 0 | 112 | ||||
| 400 | I | 26.1 | Very low | 24.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -164.1 | 133.3 | 163.8 | -113.4 | 155.3 | 0 | 0 | 0 | 116.2 | ||||
| 401 | L | 27.5 | Very low | 25 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | trans | 52.2 | 114.3 | 151.8 | -59.3 | 172 | 0 | 0 | 0 | 124.8 | ||||
| 402 | K | 23.5 | Very low | 25.3 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | 44.5 | 146.1 | 96.2 | -64.8 | -170.1 | 146.1 | -69.9 | 0 | 120.3 | |||||
| 403 | D | 23.8 | Very low | 25.9 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | cis | -162.5 | 159.4 | -3.7 | -95.6 | -22 | 0 | 0 | 0 | 111 | ||||
| 404 | N | 24.6 | Very low | 26.3 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 79.4 | 147.4 | 150.9 | -75.1 | -1 | 0 | 0 | 0 | 125.4 | ||||
| 405 | E | 23.6 | Very low | 27.5 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 83.9 | 143.1 | 161.2 | -75.7 | -177.5 | -164.5 | 0 | 0 | 123.2 | ||||
| 406 | Y | 26.1 | Very low | 28.9 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -34.8 | 112.2 | -163.1 | -65.9 | -93.5 | 0 | 0 | 0 | 119.8 | ||||
| 407 | S | 24.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | -155.4 | 153 | 145.9 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | T409 | S407-T409 PolarHBondContact O-N 3.5Š| ||
| 408 | I | 24.1 | Very low | 31.7 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 91% | 0.913 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 100.1 | 176.7 | -61.7 | 176.1 | 0 | 0 | 0 | 108 | ||||
| 409 | T | 25.7 | Very low | 33.3 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 120 | -171.2 | 41 | 0 | 0 | 0 | 0 | 113 | S407 | S407-T409 PolarHBondContact O-N 3.5Š|
| 410 | I | 28.5 | Very low | 34.9 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.1 | 163.3 | -60.2 | 173.5 | 0 | 0 | 0 | 108.1 | ||
| 411 | P | 30.1 | Very low | 36.7 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 138.1 | 176.4 | -23.1 | 33.8 | 0 | 0 | 0 | 112.4 | I413 | P411-I413 PolarHBondContact O-N 2.99Š|
| 412 | K | 31.5 | Very low | 38.5 | Very low | 200 Ų | 200 | 121.8 Ų | 121.8 | 87% | 0.87 | 61% | 0.607 | S | S | * | * | trans | -75.5 | 86.8 | 172.8 | -71.3 | -176.8 | 177.9 | 178.3 | 0 | 110.4 | N414 | K412-N414 PolarHBondContact O-N 3.28Š| ||
| 413 | I | 36.3 | Very low | 40.6 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -77.4 | 104.6 | 171 | -56.6 | 175.5 | 0 | 0 | 0 | 108.2 | P411 D415 D418 | P411-I413 PolarHBondContact O-N 2.99Å; I413-D415 PolarHBondContact O-N 3.29Å; I413-D415 VanDerWaalsContact O-N 3.13Å; I413-D418 HydrophobicContact CG2-CB 3.84Å | ||
| 414 | N | 33 | Very low | 42.7 | Very low | 149 Ų | 149 | 109.4 Ų | 109.4 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | trans | -84.7 | 57 | 177 | -83.5 | -1.6 | 0 | 0 | 0 | 111.6 | K412 | K412-N414 PolarHBondContact O-N 3.28Š| ||
| 415 | D | 46.4 | Very low | 44.9 | Very low | 116 Ų | 116 | 108 Ų | 108 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | trans | -149.1 | 135.4 | 163.8 | -100.4 | -47.7 | 0 | 0 | 0 | 111.5 | I413 E417 | I413-D415 PolarHBondContact O-N 3.29Å; I413-D415 VanDerWaalsContact O-N 3.13Å; D415-E417 VanDerWaalsContact C-N 3.33Å; D415-E417 PolarHBondContact O-N 3.42Å | ||
| 416 | N | 53.5 | Low | 47.2 | Very low | 87 Ų | 87 | 102 Ų | 102 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -24.8 | -172.2 | -79.4 | -40.4 | 0 | 0 | 0 | 113.2 | V312 | V312-N416 HydrophobicContact CG2-CB 4.48Å |
| 417 | E | 52.6 | Low | 49.3 | Very low | 101 Ų | 101 | 91.6 Ų | 91.6 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77 | -28.5 | -177.7 | -56.5 | -156 | 154.7 | 0 | 0 | 112.9 | V312 R364 D415 I420 S421 | V312-E417 HydrophobicContact CG1-CG 4.22Å; R364-E417 PolarHBondContact NH1-O 2.95Å; D415-E417 VanDerWaalsContact C-N 3.33Å; D415-E417 PolarHBondContact O-N 3.42Å; E417-I420 PolarHBondContact O-N 3.3Å; E417-S421 PolarHBondContact O-N 3.29Å |
| 418 | D | 55.2 | Low | 51.8 | Low | 80 Ų | 80 | 88.1 Ų | 88.1 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.9 | -29.1 | 173.8 | -98.7 | -15.6 | 0 | 0 | 0 | 112.6 | I413 I420 S421 Y422 | I413-D418 HydrophobicContact CG2-CB 3.84Å; D418-I420 PolarHBondContact O-N 3.45Å; D418-S421 WeakPolarHBondContact O-CB 3.19Å; D418-S421 PolarHBondContact O-N 3.12Å; D418-S421 VanDerWaalsContact O-N 3.14Å; D418-Y422 WeakPolarHBondContact O-CB 3.43Å; D418-Y422 PolarHBondContact O-N 3.02Å |
| 419 | R | 56.5 | Low | 54.4 | Low | 98 Ų | 98 | 83.9 Ų | 83.9 | 37% | 0.37 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -34 | 171.2 | -62.6 | -179.6 | 72.6 | -166.5 | 0.6 | 111.4 | N297 L423 | N297-R419 PolarHBondContact O-NH1 3.38Å; R419-L423 WeakPolarHBondContact O-CB 3.49Å; R419-L423 PolarHBondContact O-N 2.8Å |
| 420 | I | 60.3 | Low | 56.8 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 28% | 0.282 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74.9 | -38.5 | 174.8 | -58.5 | 174 | 0 | 0 | 0 | 111.3 | E417 D418 L423 L424 | E417-I420 PolarHBondContact O-N 3.3Å; D418-I420 PolarHBondContact O-N 3.45Å; I420-L423 PolarHBondContact O-N 2.86Å; I420-L424 HydrophobicContact CG2-CD1 4.31Å; I420-L424 WeakPolarHBondContact O-CB 2.98Å; I420-L424 PolarHBondContact O-N 3.18Å |
| 421 | S | 63.3 | Low | 59.1 | Low | 9 Ų | 9 | 74.6 Ų | 74.6 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.5 | -51.5 | 171.2 | -162.2 | 0 | 0 | 0 | 0 | 111.4 | R364 E417 D418 L424 R425 | R364-S421 PolarHBondContact NH2-OG 3.37Å; E417-S421 PolarHBondContact O-N 3.29Å; D418-S421 WeakPolarHBondContact O-CB 3.19Å; D418-S421 PolarHBondContact O-N 3.12Å; D418-S421 VanDerWaalsContact O-N 3.14Å; S421-L424 PolarHBondContact O-N 2.78Å; S421-R425 WeakPolarHBondContact O-CG 3.32Å; S421-R425 PolarHBondContact O-N 3.35Å |
| 422 | Y | 65.6 | Low | 61.4 | Low | 132 Ų | 132 | 72.6 Ų | 72.6 | 52% | 0.518 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 180 | -173.7 | -97.9 | 0 | 0 | 0 | 111.7 | D418 L424 R425 L426 | D418-Y422 WeakPolarHBondContact O-CB 3.43Å; D418-Y422 PolarHBondContact O-N 3.02Å; Y422-L424 PolarHBondContact O-N 2.9Å; Y422-R425 PolarHBondContact O-N 2.93Å; Y422-L426 HydrophobicContact CE1-CD2 4.04Å; Y422-L426 WeakPolarHBondContact O-CB 3.41Å; Y422-L426 PolarHBondContact O-N 3.29Å |
| 423 | L | 66.3 | Low | 63.6 | Low | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.1 | -176.9 | 96.5 | 0 | 0 | 0 | 112.3 | I294 L324 R419 I420 L426 T427 | I294-L423 HydrophobicContact CD1-CD1 3.58Å; I294-L423 HydrophobicContact CG2-CD1 4.31Å; L324-L423 HydrophobicContact CD2-CD1 3.94Å; L324-L423 HydrophobicContact CD2-CD2 3.53Å; L324-L423 HydrophobicContact CD2-CG 4.39Å; L324-L423 HydrophobicContact CG-CD2 4.13Å; R419-L423 WeakPolarHBondContact O-CB 3.49Å; R419-L423 PolarHBondContact O-N 2.8Å; I420-L423 PolarHBondContact O-N 2.86Å; L423-L426 PolarHBondContact O-N 3.23Å; L423-T427 WeakPolarHBondContact O-CB 3.42Å; L423-T427 WeakPolarHBondContact O-CG2 3.38Å; L423-T427 PolarHBondContact O-N 2.97Å; L423-T427 PolarHBondContact O-OG1 2.87Å |
| 424 | L | 68.6 | Low | 65.5 | Low | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 178.1 | -84 | 169.8 | 0 | 0 | 0 | 111.1 | V323 L357 I420 S421 Y422 T427 V428 | V323-L424 HydrophobicContact CG1-CD1 4.33Å; V323-L424 HydrophobicContact CG1-CD2 3.6Å; V323-L424 HydrophobicContact CG1-CG 3.91Å; L357-L424 HydrophobicContact CD2-CD2 3.99Å; I420-L424 HydrophobicContact CG2-CD1 4.31Å; I420-L424 WeakPolarHBondContact O-CB 2.98Å; I420-L424 PolarHBondContact O-N 3.18Å; S421-L424 PolarHBondContact O-N 2.78Å; Y422-L424 PolarHBondContact O-N 2.9Å; L424-T427 PolarHBondContact O-N 3.05Å; L424-T427 PolarHBondContact O-OG1 2.9Å; L424-T427 VanDerWaalsContact O-OG1 3.14Å; L424-V428 WeakPolarHBondContact O-CB 3.5Å; L424-V428 VanDerWaalsContact O-CG2 3.22Å; L424-V428 WeakPolarHBondContact O-CG2 3.38Å; L424-V428 PolarHBondContact O-N 2.79Å |
| 425 | R | 70.4 | Confident | 67.5 | Low | 121 Ų | 121 | 57.9 Ų | 57.9 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | -179.2 | -68.9 | 175.2 | -175.3 | 173.8 | 8.6 | 112.6 | D361 S421 Y422 T429 | D361-R425 IonicContact OD1-NE 3.83Å; D361-R425 IonicContact OD1-NH2 2.74Å; D361-R425 IonicContact OD2-CZ 3.67Å; D361-R425 IonicContact OD2-NE 2.66Å; D361-R425 PolarHBondContact OD2-NE 3.49Å; D361-R425 IonicContact OD2-NH2 3.73Å; D361-R425 PolarHBondContact OD2-NH2 3.21Å; D361-R425 VanDerWaalsContact OD2-NH2 3.07Å; S421-R425 WeakPolarHBondContact O-CG 3.32Å; S421-R425 PolarHBondContact O-N 3.35Å; Y422-R425 PolarHBondContact O-N 2.93Å; R425-T429 WeakPolarHBondContact O-CB 3.45Å; R425-T429 PolarHBondContact O-N 3.01Å; R425-T429 PolarHBondContact O-OG1 3.01Å |
| 426 | L | 71.8 | Confident | 68.7 | Low | 44 Ų | 44 | 58.5 Ų | 58.5 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 175.9 | -171.8 | 67.3 | 0 | 0 | 0 | 111.4 | F290 Y422 L423 T429 Q430 | F290-L426 HydrophobicContact CE1-CD2 3.49Å; F290-L426 VanDerWaalsContact CE1-CD2 3.49Å; F290-L426 HydrophobicContact CE2-CD2 4.47Å; F290-L426 HydrophobicContact CZ-CD2 3.42Å; F290-L426 VanDerWaalsContact CZ-CD2 3.42Å; Y422-L426 HydrophobicContact CE1-CD2 4.04Å; Y422-L426 WeakPolarHBondContact O-CB 3.41Å; Y422-L426 PolarHBondContact O-N 3.29Å; L423-L426 PolarHBondContact O-N 3.23Å; L426-T429 PolarHBondContact O-N 3.03Å; L426-T429 VanDerWaalsContact O-N 3.16Å; L426-Q430 WeakPolarHBondContact O-CB 3.42Å; L426-Q430 WeakPolarHBondContact O-CG 3.45Å; L426-Q430 PolarHBondContact O-N 3.18Å |
| 427 | T | 71.1 | Confident | 69.7 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | I291 L423 L424 M431 | I291-T427 HydrophobicContact CD1-CG2 4.11Å; L423-T427 WeakPolarHBondContact O-CB 3.42Å; L423-T427 WeakPolarHBondContact O-CG2 3.38Å; L423-T427 PolarHBondContact O-N 2.97Å; L423-T427 PolarHBondContact O-OG1 2.87Å; L424-T427 PolarHBondContact O-N 3.05Å; L424-T427 PolarHBondContact O-OG1 2.9Å; L424-T427 VanDerWaalsContact O-OG1 3.14Å; T427-M431 WeakPolarHBondContact O-CB 3.46Å; T427-M431 VanDerWaalsContact O-CG 3.24Å; T427-M431 WeakPolarHBondContact O-CG 3.4Å; T427-M431 PolarHBondContact O-N 3.2Å |
| 428 | V | 77.8 | Confident | 70.5 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 166.7 | 165.2 | 0 | 0 | 0 | 0 | 111 | L357 I358 L424 Q430 M431 C432 | L357-V428 HydrophobicContact CB-CG2 3.41Å; L357-V428 VanDerWaalsContact CB-CG2 3.41Å; L357-V428 HydrophobicContact CD1-CG2 4.44Å; I358-V428 HydrophobicContact CD1-CG1 4Å; I358-V428 HydrophobicContact CG1-CG1 3.6Å; I358-V428 HydrophobicContact CG1-CG2 4.07Å; L424-V428 WeakPolarHBondContact O-CB 3.5Å; L424-V428 VanDerWaalsContact O-CG2 3.22Å; L424-V428 WeakPolarHBondContact O-CG2 3.38Å; L424-V428 PolarHBondContact O-N 2.79Å; V428-Q430 PolarHBondContact O-N 3.34Å; V428-M431 PolarHBondContact O-N 3.11Å; V428-C432 WeakPolarHBondContact O-CB 3.2Å; V428-C432 PolarHBondContact O-N 3.17Å; V428-C432 PolarHBondContact O-SG 2.67Å; V428-C432 VanDerWaalsContact O-SG 3.37Å |
| 429 | T | 77.9 | Confident | 71.1 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.8 | -44 | -177.5 | -57.8 | 0 | 0 | 0 | 0 | 111 | R425 L426 C432 F433 | R425-T429 WeakPolarHBondContact O-CB 3.45Å; R425-T429 PolarHBondContact O-N 3.01Å; R425-T429 PolarHBondContact O-OG1 3.01Å; L426-T429 PolarHBondContact O-N 3.03Å; L426-T429 VanDerWaalsContact O-N 3.16Å; T429-C432 PolarHBondContact O-N 2.96Å; T429-F433 VanDerWaalsContact O-CB 3.3Å; T429-F433 WeakPolarHBondContact O-CB 2.94Å; T429-F433 PolarHBondContact O-N 2.88Å |
| 430 | Q | 76.2 | Confident | 71.7 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.7 | -72.6 | 167.2 | -24.7 | 0 | 0 | 111.8 | I287 L426 V428 F433 L434 | I287-Q430 HydrophobicContact CD1-CB 3.97Å; I287-Q430 HydrophobicContact CD1-CG 4.31Å; L426-Q430 WeakPolarHBondContact O-CB 3.42Å; L426-Q430 WeakPolarHBondContact O-CG 3.45Å; L426-Q430 PolarHBondContact O-N 3.18Å; V428-Q430 PolarHBondContact O-N 3.34Å; Q430-F433 PolarHBondContact O-N 3.11Å; Q430-L434 WeakPolarHBondContact O-CB 3.25Å; Q430-L434 WeakPolarHBondContact O-CD1 3.42Å; Q430-L434 VanDerWaalsContact O-CG 3.22Å; Q430-L434 WeakPolarHBondContact O-CG 3.32Å; Q430-L434 PolarHBondContact O-N 3.21Å |
| 431 | M | 76.9 | Confident | 71.7 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 176.7 | -73.2 | -72.4 | 175.6 | 0 | 0 | 112.7 | I331 V350 A354 L357 T427 V428 F433 L434 S435 | I331-M431 HydrophobicContact CB-CE 4.36Å; I331-M431 HydrophobicContact CG1-CE 3.39Å; V350-M431 HydrophobicContact CG1-CB 4.19Å; V350-M431 WeakPolarHBondContact CG1-O 3.28Å; V350-M431 HydrophobicContact CG1-SD 3.89Å; V350-M431 HydrophobicContact CG2-SD 4.24Å; A354-M431 HydrophobicContact CB-CB 4.05Å; L357-M431 HydrophobicContact CD1-CG 4.45Å; T427-M431 WeakPolarHBondContact O-CB 3.46Å; T427-M431 VanDerWaalsContact O-CG 3.24Å; T427-M431 WeakPolarHBondContact O-CG 3.4Å; T427-M431 PolarHBondContact O-N 3.2Å; V428-M431 PolarHBondContact O-N 3.11Å; M431-F433 VanDerWaalsContact C-N 3.34Å; M431-F433 PolarHBondContact O-N 3.46Å; M431-L434 PolarHBondContact O-N 3.12Å; M431-L434 HydrophobicContact SD-CD1 4.38Å; M431-S435 PolarHBondContact O-N 3.16Å |
| 432 | C | 77.3 | Confident | 71.5 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.4 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | V428 T429 R436 | V428-C432 WeakPolarHBondContact O-CB 3.2Å; V428-C432 PolarHBondContact O-N 3.17Å; V428-C432 PolarHBondContact O-SG 2.67Å; V428-C432 VanDerWaalsContact O-SG 3.37Å; T429-C432 PolarHBondContact O-N 2.96Å; C432-R436 PolarHBondContact O-N 3.1Å; C432-R436 VanDerWaalsContact O-N 3.16Å |
| 433 | F | 78.8 | Confident | 71 | Confident | 128 Ų | 128 | 53.4 Ų | 53.4 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.4 | -47.3 | 175.5 | -179.5 | -113.7 | 0 | 0 | 0 | 111.9 | T429 Q430 M431 S435 R436 L437 | T429-F433 VanDerWaalsContact O-CB 3.3Å; T429-F433 WeakPolarHBondContact O-CB 2.94Å; T429-F433 PolarHBondContact O-N 2.88Å; Q430-F433 PolarHBondContact O-N 3.11Å; M431-F433 VanDerWaalsContact C-N 3.34Å; M431-F433 PolarHBondContact O-N 3.46Å; F433-S435 VanDerWaalsContact C-N 3.34Å; F433-S435 PolarHBondContact O-N 2.81Å; F433-R436 PolarHBondContact O-N 3.41Å; F433-L437 HydrophobicContact CD1-CD1 3.86Å; F433-L437 HydrophobicContact CE1-CD1 3.46Å; F433-L437 VanDerWaalsContact CE1-CD1 3.46Å; F433-L437 HydrophobicContact CE1-CG 4.2Å; F433-L437 HydrophobicContact CE2-CD1 4.49Å; F433-L437 HydrophobicContact CE2-CG 4.39Å; F433-L437 HydrophobicContact CZ-CD1 3.81Å; F433-L437 HydrophobicContact CZ-CD2 4.32Å; F433-L437 HydrophobicContact CZ-CG 4.12Å; F433-L437 PolarHBondContact O-N 3.21Å |
| 434 | L | 75.8 | Confident | 70.4 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -45.4 | 173.4 | -74.8 | 164.2 | 0 | 0 | 0 | 111.8 | M280 V283 F284 I287 V350 Q430 M431 R436 L437 F438 | M280-L434 HydrophobicContact CE-CB 4.33Å; M280-L434 HydrophobicContact CE-CD2 3.42Å; M280-L434 VanDerWaalsContact CE-CD2 3.42Å; M280-L434 HydrophobicContact CE-CG 4.5Å; M280-L434 HydrophobicContact SD-CD2 3.78Å; V283-L434 HydrophobicContact CB-CD2 4.4Å; V283-L434 HydrophobicContact CG1-CD2 3.84Å; F284-L434 HydrophobicContact CD1-CD1 4.1Å; F284-L434 HydrophobicContact CE1-CD1 3.66Å; F284-L434 HydrophobicContact CZ-CD1 4.44Å; I287-L434 HydrophobicContact CD1-CD1 3.88Å; V350-L434 HydrophobicContact CG1-CB 4.17Å; Q430-L434 WeakPolarHBondContact O-CB 3.25Å; Q430-L434 WeakPolarHBondContact O-CD1 3.42Å; Q430-L434 VanDerWaalsContact O-CG 3.22Å; Q430-L434 WeakPolarHBondContact O-CG 3.32Å; Q430-L434 PolarHBondContact O-N 3.21Å; M431-L434 PolarHBondContact O-N 3.12Å; M431-L434 HydrophobicContact SD-CD1 4.38Å; L434-R436 PolarHBondContact O-N 3.38Å; L434-L437 PolarHBondContact O-N 3.02Å; L434-F438 WeakPolarHBondContact O-CD2 3.47Å; L434-F438 PolarHBondContact O-N 3.19Å |
| 435 | S | 75.6 | Confident | 69.6 | Low | 8 Ų | 8 | 61.7 Ų | 61.7 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -35.8 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | R351 M431 F433 Q439 | R351-S435 WeakPolarHBondContact CG-OG 3.39Å; R351-S435 PolarHBondContact NH1-OG 2.83Å; M431-S435 PolarHBondContact O-N 3.16Å; F433-S435 VanDerWaalsContact C-N 3.34Å; F433-S435 PolarHBondContact O-N 2.81Å; S435-Q439 WeakPolarHBondContact O-CB 3.35Å; S435-Q439 PolarHBondContact O-N 2.83Å |
| 436 | R | 71.6 | Confident | 68.6 | Low | 128 Ų | 128 | 58.6 Ų | 58.6 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -78.6 | -37.5 | -177.5 | -162.2 | 170.5 | -167.3 | 129.9 | 15.8 | 111.6 | C432 F433 L434 Q439 M440 T2461 | C432-R436 PolarHBondContact O-N 3.1Å; C432-R436 VanDerWaalsContact O-N 3.16Å; F433-R436 PolarHBondContact O-N 3.41Å; L434-R436 PolarHBondContact O-N 3.38Å; R436-Q439 PolarHBondContact O-N 2.78Å; R436-M440 HydrophobicContact CG-SD 4.36Å; R436-M440 WeakPolarHBondContact O-CB 3.48Å; R436-M440 WeakPolarHBondContact O-CG 3.47Å; R436-M440 PolarHBondContact O-N 2.72Å; R436-T2461 VanDerWaalsContact NH1-CB 3.32Å; R436-T2461 PolarHBondContact NH1-OG1 2.94Å; R436-T2461 PolarHBondContact NH2-OG1 3.23Å |
| 437 | L | 73.4 | Confident | 67.2 | Low | 39 Ų | 39 | 60.3 Ų | 60.3 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -52.4 | 169.5 | -76.5 | 173 | 0 | 0 | 0 | 111.5 | F276 F279 M280 F433 L434 Q439 M440 E441 | F276-L437 HydrophobicContact CE2-CB 4.12Å; F276-L437 HydrophobicContact CZ-CB 3.96Å; F279-L437 HydrophobicContact CE1-CD1 4.28Å; M280-L437 HydrophobicContact CE-CB 4.06Å; M280-L437 HydrophobicContact CE-CD1 4.47Å; M280-L437 HydrophobicContact SD-CB 4.4Å; M280-L437 HydrophobicContact SD-CD1 4.05Å; F433-L437 HydrophobicContact CD1-CD1 3.86Å; F433-L437 HydrophobicContact CE1-CD1 3.46Å; F433-L437 VanDerWaalsContact CE1-CD1 3.46Å; F433-L437 HydrophobicContact CE1-CG 4.2Å; F433-L437 HydrophobicContact CE2-CD1 4.49Å; F433-L437 HydrophobicContact CE2-CG 4.39Å; F433-L437 HydrophobicContact CZ-CD1 3.81Å; F433-L437 HydrophobicContact CZ-CD2 4.32Å; F433-L437 HydrophobicContact CZ-CG 4.12Å; F433-L437 PolarHBondContact O-N 3.21Å; L434-L437 PolarHBondContact O-N 3.02Å; L437-Q439 PolarHBondContact O-N 3.12Å; L437-M440 PolarHBondContact O-N 2.71Å; L437-E441 PolarHBondContact O-N 2.98Å |
| 438 | F | 70.2 | Confident | 65.7 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -37 | 176.9 | -76.6 | -58.1 | 0 | 0 | 0 | 113 | F276 M280 F284 L338 L343 A346 A347 V350 L434 F442 | F276-F438 AromaticContact CE1-CD1 3.96Å; F276-F438 HydrophobicContact CE1-CD1 3.96Å; F276-F438 HydrophobicContact CE1-CE1 4.31Å; F276-F438 HydrophobicContact CZ-CD1 4.39Å; M280-F438 HydrophobicContact CB-CE1 4.43Å; M280-F438 HydrophobicContact CB-CZ 4.43Å; M280-F438 HydrophobicContact CE-CD1 3.74Å; M280-F438 HydrophobicContact CE-CD2 3.62Å; M280-F438 HydrophobicContact CE-CE1 3.55Å; M280-F438 HydrophobicContact CE-CE2 3.43Å; M280-F438 VanDerWaalsContact CE-CE2 3.43Å; M280-F438 HydrophobicContact CE-CG 3.76Å; M280-F438 HydrophobicContact CE-CZ 3.39Å; M280-F438 HydrophobicContact CG-CE1 4.21Å; M280-F438 HydrophobicContact CG-CZ 4.49Å; F284-F438 HydrophobicContact CE2-CZ 4.12Å; F284-F438 HydrophobicContact CZ-CE2 4.17Å; F284-F438 HydrophobicContact CZ-CZ 4.23Å; L338-F438 HydrophobicContact CD1-CE1 3.79Å; L338-F438 HydrophobicContact CD1-CZ 4.12Å; L338-F438 HydrophobicContact CD2-CE1 4.46Å; L338-F438 HydrophobicContact CD2-CZ 4.28Å; L343-F438 HydrophobicContact CB-CD1 4.19Å; L343-F438 HydrophobicContact CD2-CD1 4.49Å; L343-F438 HydrophobicContact CG-CD1 3.98Å; L343-F438 HydrophobicContact CG-CE1 4.1Å; A346-F438 HydrophobicContact CB-CE2 4.39Å; A346-F438 HydrophobicContact CB-CZ 4.12Å; A347-F438 HydrophobicContact CB-CB 3.52Å; A347-F438 HydrophobicContact CB-CD2 4.22Å; A347-F438 HydrophobicContact CB-CG 4.02Å; V350-F438 HydrophobicContact CG2-CE2 4.18Å; L434-F438 WeakPolarHBondContact O-CD2 3.47Å; L434-F438 PolarHBondContact O-N 3.19Å; F438-F442 WeakPolarHBondContact O-CB 3.44Å; F438-F442 PolarHBondContact O-N 3.04Å; F438-F442 VanDerWaalsContact O-N 3.15Å |
| 439 | Q | 68.1 | Low | 63.9 | Low | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.3 | -45.6 | 179.7 | -169.6 | 167.6 | -7.1 | 0 | 0 | 111.5 | S435 R436 L437 E441 F442 D443 | S435-Q439 WeakPolarHBondContact O-CB 3.35Å; S435-Q439 PolarHBondContact O-N 2.83Å; R436-Q439 PolarHBondContact O-N 2.78Å; L437-Q439 PolarHBondContact O-N 3.12Å; Q439-E441 VanDerWaalsContact C-N 3.3Å; Q439-E441 PolarHBondContact O-N 3.05Å; Q439-F442 PolarHBondContact O-N 3.16Å; Q439-D443 WeakPolarHBondContact O-CB 3.47Å; Q439-D443 PolarHBondContact O-N 3.42Å |
| 440 | M | 68 | Low | 62.4 | Low | 119 Ų | 119 | 70.7 Ų | 70.7 | 59% | 0.586 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62 | -33.5 | 176.7 | -73.2 | 176.7 | 61.4 | 0 | 0 | 113.6 | R436 L437 S444 | R436-M440 HydrophobicContact CG-SD 4.36Å; R436-M440 WeakPolarHBondContact O-CB 3.48Å; R436-M440 WeakPolarHBondContact O-CG 3.47Å; R436-M440 PolarHBondContact O-N 2.72Å; L437-M440 PolarHBondContact O-N 2.71Å; M440-S444 PolarHBondContact O-N 3.06Å; M440-S444 PolarHBondContact O-OG 2.98Å |
| 441 | E | 61 | Low | 60.7 | Low | 47 Ų | 47 | 70.6 Ų | 70.6 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78 | -33.5 | 176.3 | -169.8 | 150.1 | 136.4 | 0 | 0 | 112.4 | F276 L437 Q439 S444 I445 | F276-E441 WeakPolarHBondContact CB-OE1 3.34Å; F276-E441 WeakPolarHBondContact CB-OE2 3.22Å; F276-E441 HydrophobicContact CD1-CB 4.41Å; F276-E441 HydrophobicContact CD1-CG 4.24Å; F276-E441 WeakPolarHBondContact CD1-OE1 3.25Å; F276-E441 VanDerWaalsContact CD2-OE2 3.27Å; F276-E441 WeakPolarHBondContact CD2-OE2 3.47Å; F276-E441 HydrophobicContact CE1-CB 4.12Å; F276-E441 HydrophobicContact CE1-CG 4.44Å; F276-E441 VanDerWaalsContact CG-OE1 3.24Å; F276-E441 WeakPolarHBondContact CG-OE1 3.39Å; F276-E441 WeakPolarHBondContact CG-OE2 3.47Å; F276-E441 HydrophobicContact CZ-CB 4.32Å; L437-E441 PolarHBondContact O-N 2.98Å; Q439-E441 VanDerWaalsContact C-N 3.3Å; Q439-E441 PolarHBondContact O-N 3.05Å; E441-S444 WeakPolarHBondContact CA-OG 3.5Å; E441-S444 PolarHBondContact O-N 3.18Å; E441-S444 PolarHBondContact O-OG 3.17Å; E441-I445 HydrophobicContact CG-CD1 3.51Å; E441-I445 HydrophobicContact CG-CG1 4.16Å; E441-I445 WeakPolarHBondContact O-CB 3.43Å; E441-I445 WeakPolarHBondContact O-CG1 3.41Å; E441-I445 PolarHBondContact O-N 3.11Å; E441-I445 VanDerWaalsContact O-N 3.12Å |
| 442 | F | 58.7 | Low | 58.9 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 25% | 0.254 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 171.1 | -168.2 | -95.2 | 0 | 0 | 0 | 111.9 | W344 F438 Q439 S444 I445 L446 | W344-F442 HydrophobicContact CB-CD2 3.9Å; W344-F442 HydrophobicContact CB-CE2 3.91Å; W344-F442 AromaticContact CD1-CD1 3.92Å; W344-F442 AromaticContact CD1-CD2 3.79Å; W344-F442 AromaticContact CD1-CE1 3.74Å; W344-F442 AromaticContact CD1-CE2 3.61Å; W344-F442 AromaticContact CD1-CG 3.94Å; W344-F442 AromaticContact CD1-CZ 3.59Å; W344-F442 HydrophobicContact CG-CD2 4.26Å; W344-F442 HydrophobicContact CG-CE2 4.05Å; W344-F442 HydrophobicContact CG-CZ 4.36Å; F438-F442 WeakPolarHBondContact O-CB 3.44Å; F438-F442 PolarHBondContact O-N 3.04Å; F438-F442 VanDerWaalsContact O-N 3.15Å; Q439-F442 PolarHBondContact O-N 3.16Å; F442-S444 PolarHBondContact O-N 3.02Å; F442-S444 VanDerWaalsContact O-N 3.17Å; F442-I445 PolarHBondContact O-N 2.65Å; F442-L446 HydrophobicContact CD2-CD1 4.33Å; F442-L446 HydrophobicContact CE2-CD1 4.01Å; F442-L446 HydrophobicContact CZ-CD1 4.23Å |
| 443 | D | 56.1 | Low | 57.2 | Low | 111 Ų | 111 | 81.3 Ų | 81.3 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.2 | -11.2 | 179 | -63.9 | -20.1 | 0 | 0 | 0 | 113.4 | Q439 | Q439-D443 WeakPolarHBondContact O-CB 3.47Å; Q439-D443 PolarHBondContact O-N 3.42Å |
| 444 | S | 54.1 | Low | 55.1 | Low | 90 Ų | 90 | 78.2 Ų | 78.2 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -111.9 | -13.7 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 115 | M440 E441 F442 | M440-S444 PolarHBondContact O-N 3.06Å; M440-S444 PolarHBondContact O-OG 2.98Å; E441-S444 WeakPolarHBondContact CA-OG 3.5Å; E441-S444 PolarHBondContact O-N 3.18Å; E441-S444 PolarHBondContact O-OG 3.17Å; F442-S444 PolarHBondContact O-N 3.02Å; F442-S444 VanDerWaalsContact O-N 3.17Å |
| 445 | I | 51.7 | Low | 53.3 | Low | 94 Ų | 94 | 80.3 Ų | 80.3 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -93.1 | -25.4 | 178.6 | -70.8 | 177.1 | 0 | 0 | 0 | 112.9 | E441 F442 | E441-I445 HydrophobicContact CG-CD1 3.51Å; E441-I445 HydrophobicContact CG-CG1 4.16Å; E441-I445 WeakPolarHBondContact O-CB 3.43Å; E441-I445 WeakPolarHBondContact O-CG1 3.41Å; E441-I445 PolarHBondContact O-N 3.11Å; E441-I445 VanDerWaalsContact O-N 3.12Å; F442-I445 PolarHBondContact O-N 2.65Å |
| 446 | L | 48 | Very low | 51.5 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 30% | 0.298 | 41% | 0.413 | S | S | . | . | trans | -108.2 | 119.6 | 178.1 | -80.7 | 88.6 | 0 | 0 | 0 | 112.8 | F442 F451 M454 | F442-L446 HydrophobicContact CD2-CD1 4.33Å; F442-L446 HydrophobicContact CE2-CD1 4.01Å; F442-L446 HydrophobicContact CZ-CD1 4.23Å; L446-F451 HydrophobicContact CD2-CB 4.4Å; L446-F451 HydrophobicContact CD2-CD2 3.9Å; L446-M454 HydrophobicContact CD2-CE 3.59Å | ||
| 447 | T | 42.7 | Very low | 50 | Low | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | trans | -76.6 | 152.5 | 160.9 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | E449 E450 F451 | T447-E449 PolarHBondContact O-N 3.22Å; T447-E450 PolarHBondContact N-OE2 3.05Å; T447-E450 PolarHBondContact O-N 2.71Å; T447-E450 WeakPolarHBondContact OG1-CG 3.38Å; T447-E450 PolarHBondContact OG1-OE2 2.78Å; T447-F451 PolarHBondContact O-N 2.88Å | ||
| 448 | L | 40 | Very low | 48.6 | Very low | 125 Ų | 125 | 85 Ų | 85 | 65% | 0.654 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.8 | -32.3 | 179.9 | -169.3 | 67.9 | 0 | 0 | 0 | 112.3 | E450 Q452 | L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.18Å; L448-Q452 WeakPolarHBondContact O-CB 3.3Å; L448-Q452 VanDerWaalsContact O-CG 3.32Å; L448-Q452 WeakPolarHBondContact O-CG 3.2Å; L448-Q452 PolarHBondContact O-N 3.47Å |
| 449 | E | 40.5 | Very low | 47.5 | Very low | 114 Ų | 114 | 88 Ų | 88 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 174 | -68.4 | -159.8 | 164.7 | 0 | 0 | 113.2 | T447 R453 | T447-E449 PolarHBondContact O-N 3.22Å; E449-R453 WeakPolarHBondContact O-CB 3.23Å; E449-R453 VanDerWaalsContact O-CG 3.28Å; E449-R453 WeakPolarHBondContact O-CG 3.42Å; E449-R453 PolarHBondContact O-N 3.39Å; E449-R453 IonicContact OE2-CZ 3.43Å; E449-R453 IonicContact OE2-NH2 2.78Å; E449-R453 PolarHBondContact OE2-NH2 3.03Å |
| 450 | E | 46.6 | Very low | 46.3 | Very low | 92 Ų | 92 | 89.8 Ų | 89.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77.4 | -36.5 | -179.8 | -73 | 169.1 | 124.4 | 0 | 0 | 111.5 | T447 L448 R453 M454 | T447-E450 PolarHBondContact N-OE2 3.05Å; T447-E450 PolarHBondContact O-N 2.71Å; T447-E450 WeakPolarHBondContact OG1-CG 3.38Å; T447-E450 PolarHBondContact OG1-OE2 2.78Å; L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.18Å; E450-R453 PolarHBondContact O-N 3.15Å; E450-M454 PolarHBondContact O-N 3.38Å |
| 451 | F | 39.9 | Very low | 45.4 | Very low | 45 Ų | 45 | 86.2 Ų | 86.2 | 20% | 0.197 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 169.1 | -161.1 | -103 | 0 | 0 | 0 | 111.1 | L446 T447 R453 M454 I455 L685 W688 | L446-F451 HydrophobicContact CD2-CB 4.4Å; L446-F451 HydrophobicContact CD2-CD2 3.9Å; T447-F451 PolarHBondContact O-N 2.88Å; F451-R453 VanDerWaalsContact C-N 3.35Å; F451-R453 PolarHBondContact O-N 3.25Å; F451-M454 HydrophobicContact CD2-CE 3.66Å; F451-M454 HydrophobicContact CE2-CE 4.3Å; F451-M454 HydrophobicContact CG-CE 4.4Å; F451-M454 PolarHBondContact O-N 2.92Å; F451-M454 VanDerWaalsContact O-N 3.17Å; F451-I455 HydrophobicContact CD1-CD1 4.18Å; F451-I455 HydrophobicContact CE1-CD1 4.24Å; F451-L685 HydrophobicContact CE2-CD2 4.18Å; F451-L685 HydrophobicContact CZ-CD2 3.98Å; F451-W688 AromaticContact CE1-CD1 3.88Å; F451-W688 HydrophobicContact CE1-CD2 4.4Å; F451-W688 HydrophobicContact CE1-CG 4.09Å |
| 452 | Q | 38.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.1 | -32.1 | 174.3 | -73.4 | 176.9 | -9.8 | 0 | 0 | 113.4 | L448 M454 I455 | L448-Q452 WeakPolarHBondContact O-CB 3.3Å; L448-Q452 VanDerWaalsContact O-CG 3.32Å; L448-Q452 WeakPolarHBondContact O-CG 3.2Å; L448-Q452 PolarHBondContact O-N 3.47Å; Q452-M454 VanDerWaalsContact C-N 3.29Å; Q452-M454 PolarHBondContact O-N 3.23Å; Q452-I455 PolarHBondContact O-N 3.16Å |
| 453 | R | 41.1 | Very low | 44.5 | Very low | 172 Ų | 172 | 84.3 Ų | 84.3 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.5 | -20.1 | 173.4 | -79 | 176.5 | -167.7 | 141.2 | 19.1 | 114 | E449 E450 F451 I455 | E449-R453 WeakPolarHBondContact O-CB 3.23Å; E449-R453 VanDerWaalsContact O-CG 3.28Å; E449-R453 WeakPolarHBondContact O-CG 3.42Å; E449-R453 PolarHBondContact O-N 3.39Å; E449-R453 IonicContact OE2-CZ 3.43Å; E449-R453 IonicContact OE2-NH2 2.78Å; E449-R453 PolarHBondContact OE2-NH2 3.03Å; E450-R453 PolarHBondContact O-N 3.15Å; F451-R453 VanDerWaalsContact C-N 3.35Å; F451-R453 PolarHBondContact O-N 3.25Å; R453-I455 VanDerWaalsContact C-N 3.31Å |
| 454 | M | 36.7 | Very low | 44.1 | Very low | 63 Ų | 63 | 82 Ų | 82 | 31% | 0.31 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.9 | -21.7 | 172.2 | -70.5 | -170.9 | -70.2 | 0 | 0 | 112.8 | L446 E450 F451 Q452 S456 Q465 | L446-M454 HydrophobicContact CD2-CE 3.59Å; E450-M454 PolarHBondContact O-N 3.38Å; F451-M454 HydrophobicContact CD2-CE 3.66Å; F451-M454 HydrophobicContact CE2-CE 4.3Å; F451-M454 HydrophobicContact CG-CE 4.4Å; F451-M454 PolarHBondContact O-N 2.92Å; F451-M454 VanDerWaalsContact O-N 3.17Å; Q452-M454 VanDerWaalsContact C-N 3.29Å; Q452-M454 PolarHBondContact O-N 3.23Å; M454-S456 PolarHBondContact O-N 2.87Å; M454-Q465 PolarHBondContact O-NE2 3.06Å |
| 455 | I | 35.9 | Very low | 43.9 | Very low | 45 Ų | 45 | 79.6 Ų | 79.6 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | trans | -86.7 | 84.9 | -177.1 | -61.9 | 165.7 | 0 | 0 | 0 | 109.2 | F451 Q452 R453 W688 D689 | F451-I455 HydrophobicContact CD1-CD1 4.18Å; F451-I455 HydrophobicContact CE1-CD1 4.24Å; Q452-I455 PolarHBondContact O-N 3.16Å; R453-I455 VanDerWaalsContact C-N 3.31Å; I455-W688 HydrophobicContact CD1-CB 3.66Å; I455-D689 HydrophobicContact CG2-CB 3.69Å | ||
| 456 | S | 38.3 | Very low | 44 | Very low | 70 Ų | 70 | 77.4 Ų | 77.4 | 49% | 0.49 | 39% | 0.388 | S | S | . | . | trans | -152 | 130.8 | 175.5 | -160.6 | 0 | 0 | 0 | 0 | 112.5 | M454 K458 N461 | M454-S456 PolarHBondContact O-N 2.87Å; S456-K458 PolarHBondContact O-N 3.47Å; S456-N461 PolarHBondContact O-ND2 3.2Å | ||
| 457 | P | 39.9 | Very low | 44 | Very low | 59 Ų | 59 | 77.3 Ų | 77.3 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | trans | -93.7 | 102.8 | -149.4 | 33.7 | -38.1 | 0 | 0 | 0 | 115.6 | D691 | P457-D691 HydrophobicContact CB-CB 3.87Å; P457-D691 HydrophobicContact CG-CB 4.39Å; P457-D691 WeakPolarHBondContact CG-OD2 3.18Å | ||
| 458 | K | 44.2 | Very low | 44.1 | Very low | 143 Ų | 143 | 77.5 Ų | 77.5 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | trans | -148.5 | 148.6 | 156.8 | -61.8 | -177.2 | -177.5 | 155.1 | 0 | 111.5 | S456 L460 N461 L462 | S456-K458 PolarHBondContact O-N 3.47Å; K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.07Å; K458-N461 HydrophobicContact CB-CB 4.13Å; K458-N461 CarbonylContact O-C 3.58Å; K458-N461 VanDerWaalsContact O-CA 3.28Å; K458-N461 WeakPolarHBondContact O-CA 3.3Å; K458-N461 WeakPolarHBondContact O-CB 3.49Å; K458-N461 PolarHBondContact O-N 3.28Å; K458-L462 PolarHBondContact O-N 3.36Å; K458-L462 VanDerWaalsContact O-N 3.08Å | ||
| 459 | V | 47.7 | Very low | 44.6 | Very low | 65 Ų | 65 | 75 Ų | 75 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -29.6 | 172.1 | -179 | 0 | 0 | 0 | 0 | 112.5 | N461 L462 I463 L663 L803 | V459-N461 VanDerWaalsContact C-N 3.29Å; V459-L462 PolarHBondContact O-N 2.73Å; V459-I463 PolarHBondContact O-N 2.91Å; V459-L663 HydrophobicContact CG1-CD2 4.26Å; V459-L663 HydrophobicContact CG2-CD1 3.68Å; V459-L663 HydrophobicContact CG2-CD2 4.05Å; V459-L803 HydrophobicContact CG1-CD2 4.32Å |
| 460 | L | 42.3 | Very low | 44.9 | Very low | 118 Ų | 118 | 72.7 Ų | 72.7 | 62% | 0.618 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | 167.9 | -79.1 | 166 | 0 | 0 | 0 | 111.8 | K458 I463 E464 | K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.07Å; L460-I463 PolarHBondContact O-N 3.07Å; L460-E464 PolarHBondContact O-N 3.49Å |
| 461 | N | 49.6 | Very low | 44.4 | Very low | 45 Ų | 45 | 72.1 Ų | 72.1 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 174.2 | -126.4 | 20.6 | 0 | 0 | 0 | 111 | S456 K458 V459 I463 E464 Q465 | S456-N461 PolarHBondContact O-ND2 3.2Å; K458-N461 HydrophobicContact CB-CB 4.13Å; K458-N461 CarbonylContact O-C 3.58Å; K458-N461 VanDerWaalsContact O-CA 3.28Å; K458-N461 WeakPolarHBondContact O-CA 3.3Å; K458-N461 WeakPolarHBondContact O-CB 3.49Å; K458-N461 PolarHBondContact O-N 3.28Å; V459-N461 VanDerWaalsContact C-N 3.29Å; N461-I463 PolarHBondContact O-N 3.44Å; N461-E464 CarbonylContact O-C 3.54Å; N461-E464 WeakPolarHBondContact O-CA 3.07Å; N461-E464 PolarHBondContact O-N 3.34Å; N461-Q465 WeakPolarHBondContact O-CG 3.27Å; N461-Q465 PolarHBondContact O-N 3Å |
| 462 | L | 49.7 | Very low | 44.2 | Very low | 43 Ų | 43 | 73.3 Ų | 73.3 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 172.9 | -168.6 | 77.8 | 0 | 0 | 0 | 111.8 | K458 V459 E464 L466 | K458-L462 PolarHBondContact O-N 3.36Å; K458-L462 VanDerWaalsContact O-N 3.08Å; V459-L462 PolarHBondContact O-N 2.73Å; L462-E464 VanDerWaalsContact C-N 3.27Å; L462-E464 PolarHBondContact O-N 3.29Å; L462-L466 WeakPolarHBondContact O-CB 3.2Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.27Å; L462-L466 PolarHBondContact O-N 3.47Å |
| 463 | I | 51.7 | Low | 44 | Very low | 22 Ų | 22 | 69.7 Ų | 69.7 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.6 | -20.8 | 175.3 | -65.6 | 169.8 | 0 | 0 | 0 | 111.9 | V459 L460 N461 K467 L803 I805 I833 | V459-I463 PolarHBondContact O-N 2.91Å; L460-I463 PolarHBondContact O-N 3.07Å; N461-I463 PolarHBondContact O-N 3.44Å; I463-K467 WeakPolarHBondContact O-CD 3.36Å; I463-K467 VanDerWaalsContact O-CE 3.23Å; I463-K467 WeakPolarHBondContact O-CE 3.35Å; I463-K467 VanDerWaalsContact O-CG 3.25Å; I463-K467 WeakPolarHBondContact O-CG 3.29Å; I463-L803 HydrophobicContact CD1-CD2 4.3Å; I463-I805 HydrophobicContact CG1-CD1 4.22Å; I463-I833 HydrophobicContact CD1-CD1 3.91Å |
| 464 | E | 47.7 | Very low | 43.4 | Very low | 62 Ų | 62 | 70 Ų | 70 | 29% | 0.29 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -90.8 | -31.9 | 175.1 | -74.7 | 164.2 | -173.5 | 0 | 0 | 112.5 | L460 N461 L462 K467 L468 I477 | L460-E464 PolarHBondContact O-N 3.49Å; N461-E464 CarbonylContact O-C 3.54Å; N461-E464 WeakPolarHBondContact O-CA 3.07Å; N461-E464 PolarHBondContact O-N 3.34Å; L462-E464 VanDerWaalsContact C-N 3.27Å; L462-E464 PolarHBondContact O-N 3.29Å; E464-K467 HydrophobicContact CG-CD 4.37Å; E464-K467 CarbonylContact O-C 3.49Å; E464-K467 WeakPolarHBondContact O-CA 3.48Å; E464-K467 WeakPolarHBondContact O-CB 3.3Å; E464-K467 PolarHBondContact O-N 2.68Å; E464-K467 VanDerWaalsContact O-N 3.08Å; E464-L468 WeakPolarHBondContact O-CB 3.37Å; E464-L468 WeakPolarHBondContact O-CG 3.47Å; E464-L468 PolarHBondContact O-N 2.97Å; E464-I477 VanDerWaalsContact OE1-CD1 3.28Å; E464-I477 WeakPolarHBondContact OE1-CD1 3.26Å |
| 465 | Q | 50.2 | Low | 43.1 | Very low | 40 Ų | 40 | 72.4 Ų | 72.4 | 19% | 0.187 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 168.4 | -67.9 | -60.4 | -7.2 | 0 | 0 | 111.2 | M454 N461 K467 L468 Y469 | M454-Q465 PolarHBondContact O-NE2 3.06Å; N461-Q465 WeakPolarHBondContact O-CG 3.27Å; N461-Q465 PolarHBondContact O-N 3Å; Q465-K467 PolarHBondContact O-N 3.12Å; Q465-L468 PolarHBondContact O-N 2.86Å; Q465-L468 VanDerWaalsContact O-N 3.16Å; Q465-Y469 PolarHBondContact O-N 2.72Å |
| 466 | L | 52 | Low | 42.5 | Very low | 48 Ų | 48 | 80.5 Ų | 80.5 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -16.5 | 171.8 | -69.8 | 171.4 | 0 | 0 | 0 | 113.6 | L462 L678 I805 | L462-L466 WeakPolarHBondContact O-CB 3.2Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.27Å; L462-L466 PolarHBondContact O-N 3.47Å; L466-L678 HydrophobicContact CD2-CD1 3.92Å; L466-I805 HydrophobicContact CD1-CD1 4.45Å |
| 467 | K | 49.3 | Very low | 42 | Very low | 54 Ų | 54 | 82.1 Ų | 82.1 | 24% | 0.235 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -89.4 | -37.8 | 169.2 | -66.4 | 164.7 | -161.2 | 158.1 | 0 | 112.3 | I463 E464 Q465 Y469 K470 | I463-K467 WeakPolarHBondContact O-CD 3.36Å; I463-K467 VanDerWaalsContact O-CE 3.23Å; I463-K467 WeakPolarHBondContact O-CE 3.35Å; I463-K467 VanDerWaalsContact O-CG 3.25Å; I463-K467 WeakPolarHBondContact O-CG 3.29Å; E464-K467 HydrophobicContact CG-CD 4.37Å; E464-K467 CarbonylContact O-C 3.49Å; E464-K467 WeakPolarHBondContact O-CA 3.48Å; E464-K467 WeakPolarHBondContact O-CB 3.3Å; E464-K467 PolarHBondContact O-N 2.68Å; E464-K467 VanDerWaalsContact O-N 3.08Å; Q465-K467 PolarHBondContact O-N 3.12Å; K467-Y469 PolarHBondContact O-N 3.44Å; K467-K470 PolarHBondContact O-N 3.11Å |
| 468 | L | 44.5 | Very low | 41.2 | Very low | 84 Ų | 84 | 86.7 Ų | 86.7 | 44% | 0.44 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -18.4 | 179.5 | -79.4 | 163.6 | 0 | 0 | 0 | 113.3 | E464 Q465 K470 | E464-L468 WeakPolarHBondContact O-CB 3.37Å; E464-L468 WeakPolarHBondContact O-CG 3.47Å; E464-L468 PolarHBondContact O-N 2.97Å; Q465-L468 PolarHBondContact O-N 2.86Å; Q465-L468 VanDerWaalsContact O-N 3.16Å; L468-K470 CarbonylContact O-C 3.52Å; L468-K470 PolarHBondContact O-N 3.32Å; L468-K470 VanDerWaalsContact O-N 3.17Å; L468-K470 VanDerWaalsContact O-O 3.12Å |
| 469 | Y | 49.9 | Very low | 40.3 | Very low | 72 Ų | 72 | 85.1 Ų | 85.1 | 28% | 0.282 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.1 | 175.8 | -135.2 | -98.9 | 0 | 0 | 0 | 114.6 | L341 W344 Q465 K467 L681 | L341-Y469 WeakPolarHBondContact O-CD1 3.39Å; L341-Y469 WeakPolarHBondContact O-CE1 3.48Å; W344-Y469 WeakPolarHBondContact CB-OH 3.22Å; Q465-Y469 PolarHBondContact O-N 2.72Å; K467-Y469 PolarHBondContact O-N 3.44Å; Y469-L681 HydrophobicContact CE1-CD1 4.43Å; Y469-L681 HydrophobicContact CE2-CD1 3.52Å; Y469-L681 HydrophobicContact CE2-CD2 4.43Å; Y469-L681 VanDerWaalsContact CZ-CD1 3.43Å; Y469-L681 WeakPolarHBondContact OH-CD1 3.25Å |
| 470 | K | 47 | Very low | 39.1 | Very low | 66 Ų | 66 | 85.9 Ų | 85.9 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -93.7 | 115.7 | 155.5 | -71.9 | -174 | 174.9 | -176 | 0 | 107.7 | K467 L468 D837 | K467-K470 PolarHBondContact O-N 3.11Å; L468-K470 CarbonylContact O-C 3.52Å; L468-K470 PolarHBondContact O-N 3.32Å; L468-K470 VanDerWaalsContact O-N 3.17Å; L468-K470 VanDerWaalsContact O-O 3.12Å; K470-D837 IonicContact NZ-OD1 3.63Å; K470-D837 PolarHBondContact NZ-OD1 2.94Å; K470-D837 IonicContact NZ-OD2 3.91Å; K470-D837 PolarHBondContact NZ-OD2 3.45Å |
| 471 | P | 35.6 | Very low | 38.2 | Very low | 80 Ų | 80 | 88.5 Ų | 88.5 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -62.7 | 144.4 | -161.7 | 21.6 | -33 | 0 | 0 | 0 | 114 | A273 | A273-P471 HydrophobicContact CB-CG 3.97Š|
| 472 | S | 36 | Very low | 37 | Very low | 71 Ų | 71 | 93.4 Ų | 93.4 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 54.6 | 71.2 | 166.2 | 57.2 | 0 | 0 | 0 | 0 | 117.3 | ||
| 473 | M | 34.3 | Very low | 35.7 | Very low | 42 Ų | 42 | 96.9 Ų | 96.9 | 21% | 0.207 | 50% | 0.5 | C | S | . | . | trans | -141.7 | 116.4 | 161.5 | -92.5 | 177.2 | -86.3 | 0 | 0 | 113.7 | S266 S268 F475 | S266-M473 WeakPolarHBondContact O-CE 3.34Å; S268-M473 VanDerWaalsContact CB-SD 3.53Å; S268-M473 WeakPolarHBondContact OG-CG 3.43Å; S268-M473 PolarHBondContact OG-SD 3.26Å; M473-F475 HydrophobicContact CB-CD2 3.88Å; M473-F475 HydrophobicContact CB-CE2 3.5Å; M473-F475 HydrophobicContact CB-CZ 4.14Å; M473-F475 HydrophobicContact CG-CE2 4.23Å; M473-F475 HydrophobicContact CG-CZ 4.4Å; M473-F475 PolarHBondContact O-N 3.32Å; M473-F475 HydrophobicContact SD-CE1 4.45Å; M473-F475 HydrophobicContact SD-CE2 3.85Å; M473-F475 HydrophobicContact SD-CZ 3.55Å; M473-F475 VanDerWaalsContact SD-CZ 3.55Å | ||
| 474 | N | 28.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 101.9 Ų | 101.9 | 96% | 0.957 | 53% | 0.532 | S | S | * | . | trans | -77.2 | 91.3 | 167.7 | -92.6 | -34.3 | 0 | 0 | 0 | 110.5 | R476 | N474-R476 PolarHBondContact O-N 3.31Š| ||
| 475 | F | 29.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 103.1 Ų | 103.1 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | trans | -79.5 | 109.2 | 175.1 | -77.5 | -77.7 | 0 | 0 | 0 | 112.2 | S266 M473 I477 | S266-F475 WeakPolarHBondContact OG-CE1 3.03Å; S266-F475 WeakPolarHBondContact OG-CZ 3.45Å; M473-F475 HydrophobicContact CB-CD2 3.88Å; M473-F475 HydrophobicContact CB-CE2 3.5Å; M473-F475 HydrophobicContact CB-CZ 4.14Å; M473-F475 HydrophobicContact CG-CE2 4.23Å; M473-F475 HydrophobicContact CG-CZ 4.4Å; M473-F475 PolarHBondContact O-N 3.32Å; M473-F475 HydrophobicContact SD-CE1 4.45Å; M473-F475 HydrophobicContact SD-CE2 3.85Å; M473-F475 HydrophobicContact SD-CZ 3.55Å; M473-F475 VanDerWaalsContact SD-CZ 3.55Å; F475-I477 PolarHBondContact O-N 3.48Å | ||
| 476 | R | 24.5 | Very low | 32.1 | Very low | 216 Ų | 216 | 107.5 Ų | 107.5 | 82% | 0.815 | 57% | 0.571 | S | S | * | * | trans | -72 | 111.1 | 164.7 | -171.6 | -177.2 | -166.3 | 178.4 | 3.8 | 109.1 | N474 E478 | N474-R476 PolarHBondContact O-N 3.31Å; R476-E478 VanDerWaalsContact C-N 3.33Å; R476-E478 PolarHBondContact O-N 3.37Å | ||
| 477 | I | 27.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | trans | -70.1 | 93.4 | 169.1 | -57 | -180 | 0 | 0 | 0 | 108.3 | E464 F475 V479 | E464-I477 VanDerWaalsContact OE1-CD1 3.28Å; E464-I477 WeakPolarHBondContact OE1-CD1 3.26Å; F475-I477 PolarHBondContact O-N 3.48Å; I477-V479 VanDerWaalsContact C-N 3.34Å; I477-V479 HydrophobicContact CG2-CG2 3.84Å; I477-V479 PolarHBondContact O-N 3.43Å; I477-V479 VanDerWaalsContact O-N 3.08Å | ||
| 478 | E | 23.1 | Very low | 29.6 | Very low | 155 Ų | 155 | 114.9 Ų | 114.9 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | trans | -67.8 | 101.5 | 153.2 | -67.9 | -156.5 | 156.8 | 0 | 0 | 107.4 | R476 A480 | R476-E478 VanDerWaalsContact C-N 3.33Å; R476-E478 PolarHBondContact O-N 3.37Å; E478-A480 PolarHBondContact O-N 2.82Å | ||
| 479 | V | 24.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 116 Ų | 116 | 66% | 0.661 | 63% | 0.633 | S | S | * | * | trans | -65.7 | 92.9 | 162.7 | 179.7 | 0 | 0 | 0 | 0 | 106 | I477 E481 | I477-V479 VanDerWaalsContact C-N 3.34Å; I477-V479 HydrophobicContact CG2-CG2 3.84Å; I477-V479 PolarHBondContact O-N 3.43Å; I477-V479 VanDerWaalsContact O-N 3.08Å; V479-E481 HydrophobicContact CG1-CG 4.2Å; V479-E481 PolarHBondContact O-N 2.98Å | ||
| 480 | A | 23.5 | Very low | 27.4 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | trans | -60.5 | 93.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | E478 L482 | E478-A480 PolarHBondContact O-N 2.82Å; A480-L482 PolarHBondContact O-N 3.05Å | ||
| 481 | E | 23.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 82.5 | 167.2 | -69.9 | -168 | 148.8 | 0 | 0 | 107.8 | V479 P483 | V479-E481 HydrophobicContact CG1-CG 4.2Å; V479-E481 PolarHBondContact O-N 2.98Å; E481-P483 VanDerWaalsContact O-N 3.13Å | ||
| 482 | L | 23.8 | Very low | 25.8 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | trans | -52.7 | 122.7 | 159.6 | -114.1 | 89.7 | 0 | 0 | 0 | 105.8 | A480 T484 | A480-L482 PolarHBondContact O-N 3.05Å; L482-T484 PolarHBondContact O-N 3.33Å; L482-T484 VanDerWaalsContact O-N 3.08Å | ||
| 483 | P | 23.5 | Very low | 25.1 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | trans | -58.9 | 123.2 | -173.7 | 22.3 | -32.7 | 0 | 0 | 0 | 108.5 | E481 A485 | E481-P483 VanDerWaalsContact O-N 3.13Å; P483-A485 PolarHBondContact O-N 3.13Å | ||
| 484 | T | 23.3 | Very low | 24.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | -71 | 79 | -178.6 | 39.6 | 0 | 0 | 0 | 0 | 109.7 | L482 K486 | L482-T484 PolarHBondContact O-N 3.33Å; L482-T484 VanDerWaalsContact O-N 3.08Å; T484-K486 PolarHBondContact O-N 2.91Å | ||
| 485 | A | 25.2 | Very low | 24.6 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -65.8 | 80.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P483 N487 | P483-A485 PolarHBondContact O-N 3.13Å; A485-N487 PolarHBondContact O-N 3.36Å | ||
| 486 | K | 24.4 | Very low | 24.2 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 57% | 0.574 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 88 | 166.1 | -67 | 179.1 | -173.3 | 175.5 | 0 | 108.5 | T484 H631 | T484-K486 PolarHBondContact O-N 2.91Å; K486-H631 PolarHBondContact NZ-CD2 2.98Å; K486-H631 PolarHBondContact NZ-NE2 2.94Å | ||
| 487 | N | 25.2 | Very low | 24.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 173.8 | 118.5 | 148 | -85.7 | -24.5 | 0 | 0 | 0 | 107.7 | A485 P489 | A485-N487 PolarHBondContact O-N 3.36Å; N487-P489 WeakPolarHBondContact O-CD 3.34Å |
| 488 | P | 24.6 | Very low | 24.2 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -65.3 | 122.5 | 167.5 | 27.8 | -31.8 | 0 | 0 | 0 | 108.6 | I490 | P488-I490 PolarHBondContact O-N 3.4Š| ||
| 489 | P | 23.9 | Very low | 24.4 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -68.2 | 128.1 | 176.3 | 27.6 | -32.9 | 0 | 0 | 0 | 109.4 | N487 I491 | N487-P489 WeakPolarHBondContact O-CD 3.34Å; P489-I491 PolarHBondContact O-N 3.18Å | ||
| 490 | I | 23.2 | Very low | 24.4 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 99.5 | 173.2 | -63.2 | 169 | 0 | 0 | 0 | 108 | P488 T492 | P488-I490 PolarHBondContact O-N 3.4Å; I490-T492 HydrophobicContact CG2-CG2 3.85Å; I490-T492 PolarHBondContact O-N 3.32Å | ||
| 491 | I | 25.1 | Very low | 24.5 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -85.1 | 69.7 | 169.7 | -52.8 | -175.2 | 0 | 0 | 0 | 108.7 | P489 | P489-I491 PolarHBondContact O-N 3.18Š| ||
| 492 | T | 23.2 | Very low | 24.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 142.5 | 151.5 | 40.7 | 0 | 0 | 0 | 0 | 109.1 | I490 N494 | I490-T492 HydrophobicContact CG2-CG2 3.85Å; I490-T492 PolarHBondContact O-N 3.32Å; T492-N494 PolarHBondContact O-N 3.25Å; T492-N494 VanDerWaalsContact O-N 3.16Å | ||
| 493 | T | 22.7 | Very low | 24.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -50.1 | 117.5 | 173 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 494 | N | 25.5 | Very low | 25 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | 176.6 | 121.2 | 113.3 | -89 | -40.4 | 0 | 0 | 0 | 113.3 | T492 K496 | T492-N494 PolarHBondContact O-N 3.25Å; T492-N494 VanDerWaalsContact O-N 3.16Å; N494-K496 PolarHBondContact O-N 3.45Å | |||
| 495 | N | 25.6 | Very low | 25 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 108.4 | 162.1 | -88.9 | -47.3 | 0 | 0 | 0 | 110.1 | ||||
| 496 | K | 23.3 | Very low | 25 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -98.9 | 102.6 | 158.7 | -84.6 | -172 | 175.3 | 178.4 | 0 | 109.5 | N494 | N494-K496 PolarHBondContact O-N 3.45Š| ||
| 497 | K | 25.3 | Very low | 25.2 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 70% | 0.704 | 80% | 0.799 | S | S | * | * | trans | -97.1 | 135.2 | 176.5 | -141.5 | 174.4 | -178.8 | 178.8 | 0 | 109.8 | ||||
| 498 | Y | 26.8 | Very low | 25.5 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 65.6 | 128.4 | 176.2 | -51.7 | -79.8 | 0 | 0 | 0 | 118.4 | ||||
| 499 | R | 26.9 | Very low | 25.6 | Very low | 245 Ų | 245 | 159.7 Ų | 159.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | -175.8 | 125.9 | 90.2 | -95.2 | 180 | 174.9 | 174.5 | -1.2 | 113.4 | |||||
| 500 | K | 24.5 | Very low | 25.7 | Very low | 220 Ų | 220 | 159.9 Ų | 159.9 | 96% | 0.957 | 81% | 0.809 | S | S | * | * | trans | -133.1 | 146.2 | 143.3 | -76.6 | -175.1 | 176.4 | -178.7 | 0 | 105.2 | ||||
| 501 | G | 24.8 | Very low | 25.7 | Very low | 83 Ų | 83 | 160.5 Ų | 160.5 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | cis | -174.7 | 165.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 502 | G | 28.6 | Very low | 25.9 | Very low | 83 Ų | 83 | 159.6 Ų | 159.6 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 172.8 | 138.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 503 | S | 26.2 | Very low | 25.9 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -97.7 | 176.9 | 178.8 | 69.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 504 | R | 26.3 | Very low | 26.3 | Very low | 220 Ų | 220 | 163.1 Ų | 163.1 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | cis | -168.5 | 152.7 | 32.3 | -138.9 | 167.7 | -164.6 | 176.2 | 5.2 | 111.9 | ||||
| 505 | Q | 24.6 | Very low | 26.2 | Very low | 161 Ų | 161 | 163.1 Ų | 163.1 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | 75.8 | 142.5 | 151 | -89 | -179.2 | 0.7 | 0 | 0 | 124.9 | ||||
| 506 | R | 24.9 | Very low | 26.1 | Very low | 217 Ų | 217 | 159.9 Ų | 159.9 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | 71.8 | 94.8 | 152.7 | -73.5 | 179.3 | 174.5 | 171.1 | -1 | 121.6 | ||||
| 507 | N | 29 | Very low | 26.2 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | 179.1 | 148.2 | 95.8 | -90.6 | -16.2 | 0 | 0 | 0 | 114.1 | |||||
| 508 | S | 30.4 | Very low | 26.4 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | 20.3 | 142.2 | 154.5 | 63.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 509 | R | 27.4 | Very low | 26.5 | Very low | 233 Ų | 233 | 151.6 Ų | 151.6 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | cis | -168.3 | 138.2 | 18.1 | -151 | 179.6 | -170 | 163.3 | 1.8 | 111 | ||||
| 510 | C | 25.8 | Very low | 27 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | trans | 60.8 | 150.9 | 160.2 | -76 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 511 | Q | 23.5 | Very low | 26.9 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | cis | -159.2 | 159.6 | -17.4 | -136.3 | -179.2 | 10.2 | 0 | 0 | 111.9 | ||||
| 512 | T | 28.2 | Very low | 27 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 149.1 | 162.5 | 62 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 513 | S | 24.2 | Very low | 26.8 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -147.6 | 141.8 | 171.6 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 514 | K | 30.4 | Very low | 26.8 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -172.3 | 141.9 | 169.1 | -112.5 | 165.5 | -174.6 | 179.3 | 0 | 112.8 | ||||
| 515 | I | 24 | Very low | 26.6 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 15.9 | 131.1 | 139.9 | -57.6 | 168 | 0 | 0 | 0 | 118.6 | ||||
| 516 | S | 23.4 | Very low | 26.6 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 74.8 | 142.3 | 160.5 | 71 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 517 | N | 25.6 | Very low | 26.5 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 60.8 | 128.3 | 172.1 | -69.7 | -11 | 0 | 0 | 0 | 120.1 | ||||
| 518 | S | 29.6 | Very low | 26.2 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 60.8 | 130.8 | 148.8 | 55.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 519 | S | 28.4 | Very low | 25.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 76.6 | 170.5 | 167.2 | 80.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 520 | L | 36.6 | Very low | 25.6 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -100.4 | 141.2 | -147.9 | -72 | 156.8 | 0 | 0 | 0 | 115.2 | ||||
| 521 | S | 22.9 | Very low | 25.5 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -164.4 | -172.3 | 149.7 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 522 | S | 26.3 | Very low | 25.5 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -132.1 | 153 | -150.9 | 60.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 523 | M | 25.7 | Very low | 25.2 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 42.8 | 139.7 | 144.1 | -75 | -169.8 | 174.3 | 0 | 0 | 122.5 | ||||
| 524 | G | 25 | Very low | 25.1 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | 149.1 | 144 | 107.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 525 | F | 23.1 | Very low | 24.7 | Very low | 198 Ų | 198 | 130.4 Ų | 130.4 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 72.9 | 156.2 | 153.4 | -54.6 | -74.8 | 0 | 0 | 0 | 118 | ||||
| 526 | I | 24.3 | Very low | 24.7 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | cis | -133.6 | 134.3 | 24.6 | -66.9 | 169.7 | 0 | 0 | 0 | 109 | ||||
| 527 | S | 22.1 | Very low | 24.7 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | 59.7 | 150.1 | 87.4 | -108.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 528 | C | 24.4 | Very low | 24.6 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | cis | -126.1 | -140.9 | 20.4 | -52.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 529 | D | 22 | Very low | 24.2 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | -153 | -180 | -144.6 | -50.9 | -97.9 | 0 | 0 | 0 | 113.6 | ||||
| 530 | V | 23.2 | Very low | 24.2 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | 64.8 | 158.3 | 167.6 | -78.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 531 | D | 22.9 | Very low | 23.6 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | cis | -155.5 | 141 | 2 | -113.9 | -36.7 | 0 | 0 | 0 | 109.1 | ||||
| 532 | S | 22.7 | Very low | 23.6 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 90.1 | 94.8 | 83.5 | -67.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 533 | L | 22.3 | Very low | 23.4 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | 61.4 | 160.7 | 140.2 | -68.9 | 171.8 | 0 | 0 | 0 | 126.1 | ||||
| 534 | S | 22.6 | Very low | 23.4 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 79.6 | 141.5 | 162.8 | 166.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 535 | D | 22.4 | Very low | 23.3 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | cis | -156.6 | -168.1 | -13 | -89.3 | -32.7 | 0 | 0 | 0 | 111.3 | ||||
| 536 | S | 22.6 | Very low | 23.5 | Very low | 60 Ų | 60 | 125.2 Ų | 125.2 | 42% | 0.42 | 73% | 0.734 | S | S | . | * | trans | -111.5 | 165.5 | -155 | 58.5 | 0 | 0 | 0 | 0 | 120.1 | T877 | S536-T877 PolarHBondContact OG-OG1 3.44Š| ||
| 537 | M | 24.9 | Very low | 23.8 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | 102.1 | 124.5 | 153.4 | -60.4 | -159.6 | 73.2 | 0 | 0 | 122.8 | ||||
| 538 | S | 22.2 | Very low | 24.1 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | trans | 36.4 | 147.6 | 141.2 | 61.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 539 | D | 22.7 | Very low | 24.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | cis | -170.2 | 153.4 | -3 | -106.1 | -30 | 0 | 0 | 0 | 109.2 | ||||
| 540 | T | 27.1 | Very low | 24.8 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | trans | -175.3 | 166.6 | 149.5 | 11.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 541 | M | 25.2 | Very low | 25.1 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | -99.7 | 135.6 | -160.5 | -57.3 | -106.5 | 78.1 | 0 | 0 | 117.2 | ||||
| 542 | S | 22.7 | Very low | 25.3 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 22.5 | 133.3 | 141.7 | 64.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 543 | S | 21.3 | Very low | 25.4 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -178.1 | 165.6 | 132.2 | 41.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 544 | L | 25.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 21.8 | 157.8 | 144.5 | -60.4 | 165.7 | 0 | 0 | 0 | 121.9 | ||||
| 545 | S | 23 | Very low | 25.8 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | cis | -175.4 | 147.6 | -28.7 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 546 | D | 26.2 | Very low | 26 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 71 | 162 | 159.7 | -51.4 | -37 | 0 | 0 | 0 | 122.9 | ||||
| 547 | D | 31 | Very low | 26.2 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 73 | 101.3 | 162.1 | -56.9 | -13.7 | 0 | 0 | 0 | 125.7 | ||||
| 548 | D | 29.6 | Very low | 26.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 73.7 | 161.8 | 120.4 | -72.6 | -9.8 | 0 | 0 | 0 | 128.9 | |||||
| 549 | D | 31.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 82.9 | 78.8 | 163.9 | -81.5 | -2.9 | 0 | 0 | 0 | 125.9 | ||||
| 550 | D | 29 | Very low | 26.7 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 63.7 | 148.5 | 112.6 | -145.5 | 16 | 0 | 0 | 0 | 127.3 | |||||
| 551 | T | 29.5 | Very low | 26.8 | Very low | 109 Ų | 109 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 90.2 | 108.1 | 156.1 | 70.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 552 | R | 26.6 | Very low | 27.1 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 21 | 116.6 | 137.9 | -66.6 | -179.2 | 169.5 | 115.6 | -4 | 123 | ||||
| 553 | S | 24.3 | Very low | 27.4 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 87.5 | 146.3 | 128 | 81.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 554 | V | 27.8 | Very low | 27.7 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 73.9 | 116.5 | 170.4 | -172.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 555 | R | 26 | Very low | 27.8 | Very low | 232 Ų | 232 | 139 Ų | 139 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | 70.8 | 133.4 | 164.2 | -75.4 | 178.2 | 173.2 | 173.3 | -1.7 | 120.3 | ||||
| 556 | S | 27 | Very low | 28.1 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 68.5 | 122.6 | 148.8 | 43.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 557 | L | 26.6 | Very low | 28.2 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 82 | 104 | 140.2 | -66.4 | 164.5 | 0 | 0 | 0 | 122.8 | ||||
| 558 | N | 26.9 | Very low | 28.1 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 76.8 | 131.2 | 136 | -61.3 | -5.5 | 0 | 0 | 0 | 124.2 | ||||
| 559 | S | 26.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 86.3 | 158.7 | 163.5 | 89.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 560 | T | 27.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -153.3 | 160.6 | -14 | -10.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 561 | K | 29.8 | Very low | 27.6 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | trans | 12.4 | 121.4 | 154.3 | -74 | 172.7 | 176.7 | 176.7 | 0 | 124.3 | ||||
| 562 | S | 29.7 | Very low | 27.3 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 145.1 | 138 | 105.8 | 68.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 563 | R | 30.6 | Very low | 27.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 60% | 0.596 | 73% | 0.732 | S | S | * | * | trans | 45.2 | 130.4 | 153.5 | -88.4 | -173.4 | 174 | 162.4 | 6.2 | 127.4 | L588 I589 | R563-L588 PolarHBondContact NH1-O 2.97Å; R563-I589 PolarHBondContact NH1-O 3.03Å | ||
| 564 | L | 27.9 | Very low | 27 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | 102.4 | 122.6 | 127 | -83.6 | 170.2 | 0 | 0 | 0 | 126.6 | |||||
| 565 | S | 26.9 | Very low | 26.7 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 53% | 0.531 | 73% | 0.732 | S | S | . | * | trans | 52.2 | 137.7 | 135.9 | 60.7 | 0 | 0 | 0 | 0 | 128 | ||||
| 566 | T | 28.9 | Very low | 26.6 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | trans | 163.4 | 136.4 | 130.6 | 33.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 567 | Q | 29.5 | Very low | 26.4 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | cis | 106.8 | 150.5 | 28.9 | -84.3 | -167.3 | -1.4 | 0 | 0 | 113.2 | ||||
| 568 | S | 28.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | cis | -172.2 | -175.2 | -13.7 | -172.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 569 | M | 28.6 | Very low | 26.4 | Very low | 148 Ų | 148 | 135 Ų | 135 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | trans | 73.1 | 154.9 | 161 | -56.5 | -59.4 | 177.1 | 0 | 0 | 119.4 | ||||
| 570 | K | 25.7 | Very low | 26.4 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -167.2 | 160.3 | -33.4 | -120.6 | -175.4 | -171.6 | 178.9 | 0 | 110.2 | ||||
| 571 | N | 24.6 | Very low | 26.5 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 60.1 | 135.9 | 157.5 | -68.9 | 20.7 | 0 | 0 | 0 | 123.1 | ||||
| 572 | L | 23.7 | Very low | 26.3 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 44.6 | 118.8 | 141.3 | -68.4 | 164.1 | 0 | 0 | 0 | 122.2 | ||||
| 573 | N | 22.2 | Very low | 26.1 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | 44.9 | 135.7 | 144 | -67.4 | -0.1 | 0 | 0 | 0 | 122.7 | ||||
| 574 | S | 21.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 69.3 | 79 | 157.1 | 60.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 575 | S | 21.7 | Very low | 25.7 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 81.4 | 155.4 | 138.3 | 88.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 576 | S | 23.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | 80 | 79.8 | 145.9 | -54.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 577 | K | 24.2 | Very low | 25.3 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | 62.9 | 90.1 | 126.9 | -60.6 | 169.1 | -178.5 | 170.8 | 0 | 122.1 | |||||
| 578 | S | 24.8 | Very low | 25 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | 86.4 | 144.8 | 121.9 | 82.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 579 | R | 28.1 | Very low | 24.7 | Very low | 224 Ų | 224 | 144.2 Ų | 144.2 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | 77.7 | 147.4 | 163 | -56.9 | 171.7 | 176 | -176 | -0.4 | 117.2 | ||||
| 580 | K | 26.1 | Very low | 24.5 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | cis | -170.7 | 155 | -16 | -113.6 | -179 | 178.2 | 179 | 0 | 111.4 | ||||
| 581 | R | 29 | Very low | 24.4 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | 75.3 | 155.4 | 163.4 | -71.7 | 178.3 | 170.8 | 174.6 | -4.2 | 119.2 | ||||
| 582 | K | 26.6 | Very low | 24.3 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | cis | -176.4 | 144.2 | -35.9 | -123.1 | -165.2 | 172.6 | -168.8 | 0 | 114 | ||||
| 583 | N | 25.1 | Very low | 24.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | 70 | 160.3 | 157.2 | -58.2 | 7.1 | 0 | 0 | 0 | 118.4 | ||||
| 584 | R | 25.6 | Very low | 24.2 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | cis | -160.5 | 152.4 | 10.7 | -148.9 | 178.7 | -168.9 | 171 | -0.6 | 113.4 | ||||
| 585 | S | 23.8 | Very low | 24.3 | Very low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | 65.2 | 163.8 | 157 | 31.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 586 | N | 24.3 | Very low | 24.6 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | cis | -167.5 | -179.5 | -9.7 | -111 | 36 | 0 | 0 | 0 | 108.1 | ||||
| 587 | S | 24.2 | Very low | 24.5 | Very low | 63 Ų | 63 | 147.3 Ų | 147.3 | 44% | 0.441 | 72% | 0.721 | S | S | . | * | cis | -174.7 | 170.3 | -29.6 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 588 | L | 22.7 | Very low | 24.5 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | trans | 77 | 161 | 157.9 | -86.2 | 173.1 | 0 | 0 | 0 | 123.9 | R563 | R563-L588 PolarHBondContact NH1-O 2.97Š| ||
| 589 | I | 23.4 | Very low | 24.4 | Very low | 124 Ų | 124 | 148 Ų | 148 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | 71.3 | 128.9 | 161.5 | -72.5 | 166.3 | 0 | 0 | 0 | 122.8 | R563 | R563-I589 PolarHBondContact NH1-O 3.03Š| ||
| 590 | N | 23.5 | Very low | 24.1 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | 60.1 | 162.1 | 157.2 | -71.5 | 8.8 | 0 | 0 | 0 | 124.3 | ||||
| 591 | S | 23.8 | Very low | 24 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -101.1 | -168.4 | -166.6 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 592 | F | 21.7 | Very low | 23.7 | Very low | 180 Ų | 180 | 133 Ų | 133 | 79% | 0.789 | 70% | 0.7 | S | S | * | * | trans | 79.6 | 131.5 | 174.1 | -68.1 | -79.1 | 0 | 0 | 0 | 118.7 | ||||
| 593 | N | 22 | Very low | 23.5 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | 44.8 | 144.6 | 130.9 | -66.3 | 5.7 | 0 | 0 | 0 | 124.1 | ||||
| 594 | L | 23.4 | Very low | 23.6 | Very low | 139 Ų | 139 | 130 Ų | 130 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | trans | 73.4 | 145.9 | 139.1 | -97.7 | 56.6 | 0 | 0 | 0 | 121.4 | ||||
| 595 | H | 22.6 | Very low | 23.5 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | 55 | 111.5 | 159.1 | -71.5 | -73.2 | 0 | 0 | 0 | 122.3 | ||||
| 596 | D | 27.5 | Very low | 23.5 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | 78.1 | 126.9 | 120.4 | -55.4 | -7 | 0 | 0 | 0 | 123.3 | H598 | D596-H598 HydrophobicContact CB-CB 4.28Å; D596-H598 IonicContact OD2-CD2 2.69Å | |||
| 597 | L | 21.9 | Very low | 23.5 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 98% | 0.979 | 72% | 0.72 | S | S | * | * | trans | -76.1 | 117.6 | 138.1 | -83.3 | 156.3 | 0 | 0 | 0 | 108.2 | ||||
| 598 | H | 24.5 | Very low | 23.6 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | -129.9 | 106.5 | -178.6 | -147.9 | -83.8 | 0 | 0 | 0 | 112.4 | D596 | D596-H598 HydrophobicContact CB-CB 4.28Å; D596-H598 IonicContact OD2-CD2 2.69Å | ||
| 599 | F | 22.9 | Very low | 23.6 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | trans | 61.9 | 174.3 | 161.9 | -78.1 | -105.8 | 0 | 0 | 0 | 115.7 | ||||
| 600 | V | 22.6 | Very low | 23.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -151 | 176.2 | 29.1 | -144.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 601 | P | 24 | Very low | 23.7 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | -106.7 | -178.3 | -86.7 | 39.9 | -26.9 | 0 | 0 | 0 | 113.7 | |||||
| 602 | A | 22.5 | Very low | 23.9 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -77.7 | 116.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 603 | S | 22.8 | Very low | 24 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 176.5 | 99.7 | 152.9 | 32 | 0 | 0 | 0 | 0 | 113 | ||||
| 604 | T | 26.2 | Very low | 24.2 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -169.6 | 116.4 | 139.4 | 6.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 605 | L | 23.9 | Very low | 24.3 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | 58.2 | 103.9 | 148.1 | -63.2 | 166.9 | 0 | 0 | 0 | 120.6 | ||||
| 606 | N | 24 | Very low | 24.6 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 8.3 | 119.6 | 117.1 | -55.9 | -1.1 | 0 | 0 | 0 | 117.3 | |||||
| 607 | N | 24.5 | Very low | 24.5 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | 165.1 | 143.6 | 115.1 | -83.9 | -19.7 | 0 | 0 | 0 | 112.6 | |||||
| 608 | G | 25 | Very low | 24.7 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | 99.5 | 100.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 609 | G | 23.2 | Very low | 24.8 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -93.9 | -149.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 610 | I | 25.2 | Very low | 25 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | 76.6 | 119.3 | -169.7 | -51.2 | 170.7 | 0 | 0 | 0 | 111.2 | ||||
| 611 | R | 24.7 | Very low | 25.3 | Very low | 220 Ų | 220 | 122.4 Ų | 122.4 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | cis | -148.9 | 141.1 | 4.3 | -140 | 178.1 | -162.2 | 178.3 | 3.2 | 108.7 | ||||
| 612 | P | 27.7 | Very low | 25.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | trans | -78.9 | 136.3 | 161.6 | 33.2 | -30.7 | 0 | 0 | 0 | 109.6 | ||||
| 613 | D | 23.8 | Very low | 25.6 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | 163.7 | 54.3 | 159.5 | -86.5 | -23.3 | 0 | 0 | 0 | 111.1 | ||||
| 614 | V | 26.2 | Very low | 25.8 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | -144.5 | 119 | 164 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 615 | D | 25.8 | Very low | 25.8 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | trans | -77.8 | 123.8 | -177 | -157.6 | 36.8 | 0 | 0 | 0 | 111.4 | S617 | D615-S617 PolarHBondContact O-N 3.17Å; D615-S617 VanDerWaalsContact O-N 3.15Å; D615-S617 PolarHBondContact OD2-OG 2.98Å | ||
| 616 | P | 27.1 | Very low | 25.8 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -26.3 | -174.2 | -25.4 | 34.9 | 0 | 0 | 0 | 114.6 | T618 L619 | P616-T618 VanDerWaalsContact C-N 3.25Å; P616-T618 PolarHBondContact O-N 2.8Å; P616-L619 PolarHBondContact O-N 2.89Å |
| 617 | S | 25.5 | Very low | 25.9 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -48.1 | -41.5 | -179.3 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | D615 L619 | D615-S617 PolarHBondContact O-N 3.17Å; D615-S617 VanDerWaalsContact O-N 3.15Å; D615-S617 PolarHBondContact OD2-OG 2.98Å; S617-L619 PolarHBondContact O-N 2.52Å |
| 618 | T | 27 | Very low | 25.9 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.5 | -27.2 | -170.2 | -48.8 | 0 | 0 | 0 | 0 | 113.1 | P616 | P616-T618 VanDerWaalsContact C-N 3.25Å; P616-T618 PolarHBondContact O-N 2.8Å |
| 619 | L | 25.7 | Very low | 25.8 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -83.5 | -28.2 | -172.1 | -121.3 | 160.2 | 0 | 0 | 0 | 113 | P616 S617 | P616-L619 PolarHBondContact O-N 2.89Å; S617-L619 PolarHBondContact O-N 2.52Å |
| 620 | V | 28.3 | Very low | 25.8 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 47% | 0.473 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -72.2 | -31.5 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | R622 A623 | V620-R622 PolarHBondContact O-N 2.72Å; V620-R622 VanDerWaalsContact O-N 3.14Å; V620-A623 WeakPolarHBondContact O-CB 3.34Å; V620-A623 PolarHBondContact O-N 2.84Å |
| 621 | Y | 28.2 | Very low | 25.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -61.7 | -26.7 | -174.3 | -147.6 | -98.2 | 0 | 0 | 0 | 113.9 | L625 N661 | Y621-L625 HydrophobicContact CD1-CD1 4.39Å; Y621-L625 HydrophobicContact CE1-CD1 4.16Å; Y621-N661 WeakPolarHBondContact CE2-ND2 3.28Å; Y621-N661 VanDerWaalsContact OH-CG 3.31Å; Y621-N661 PolarHBondContact OH-ND2 3.19Å; Y621-N661 PolarHBondContact OH-OD1 3.02Å |
| 622 | R | 25.6 | Very low | 25.9 | Very low | 210 Ų | 210 | 130.5 Ų | 130.5 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -77.2 | -16.3 | 174.4 | -97 | -178.5 | 174.3 | 162.8 | 1.7 | 114.7 | V620 N626 | V620-R622 PolarHBondContact O-N 2.72Å; V620-R622 VanDerWaalsContact O-N 3.14Å; R622-N626 PolarHBondContact O-ND2 3.09Å |
| 623 | A | 26.4 | Very low | 25.7 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81 | -36.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V620 | V620-A623 WeakPolarHBondContact O-CB 3.34Å; V620-A623 PolarHBondContact O-N 2.84Å |
| 624 | V | 28.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -79.8 | -22.8 | -173.3 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 625 | L | 25.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 8.9 | -179.2 | -70.8 | 169.5 | 0 | 0 | 0 | 114.7 | Y621 | Y621-L625 HydrophobicContact CD1-CD1 4.39Å; Y621-L625 HydrophobicContact CE1-CD1 4.16Å |
| 626 | N | 24.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 6.6 | -172.1 | -91.7 | -65.3 | 0 | 0 | 0 | 116.3 | R622 D628 | R622-N626 PolarHBondContact O-ND2 3.09Å; N626-D628 PolarHBondContact O-N 2.88Å |
| 627 | T | 26.1 | Very low | 25.7 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -96.8 | 36.5 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 628 | D | 23.9 | Very low | 25.7 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -154.2 | 55.8 | 165.3 | -129.3 | -23.4 | 0 | 0 | 0 | 112.9 | N626 | N626-D628 PolarHBondContact O-N 2.88Š|
| 629 | N | 23.7 | Very low | 25.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | -148.1 | 69 | 177.3 | -115.3 | -46.9 | 0 | 0 | 0 | 114.2 | ||||
| 630 | R | 23.4 | Very low | 25.6 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | trans | -132.6 | 69.2 | 169.1 | -82.7 | -168.2 | 173.8 | -179.1 | 0.7 | 113.3 | ||||
| 631 | H | 26.4 | Very low | 25.3 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -138.5 | 127.5 | 149.2 | -92.1 | 12.1 | 0 | 0 | 0 | 109.9 | K486 | K486-H631 PolarHBondContact NZ-CD2 2.98Å; K486-H631 PolarHBondContact NZ-NE2 2.94Å |
| 632 | N | 25.4 | Very low | 25.1 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | 44.9 | 85.1 | 165.9 | -64.3 | -3.4 | 0 | 0 | 0 | 118.9 | ||||
| 633 | K | 23.7 | Very low | 24.9 | Very low | 209 Ų | 209 | 143.8 Ų | 143.8 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -88.8 | 117.7 | 136.4 | -83.5 | -174.7 | 175.7 | 178.1 | 0 | 108.9 | ||||
| 634 | N | 24.3 | Very low | 24.7 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -157.4 | 87 | 160 | -112.3 | -12.4 | 0 | 0 | 0 | 109.8 | ||||
| 635 | H | 28.6 | Very low | 24.3 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 171.6 | 95.7 | 133.4 | -85.8 | -51.1 | 0 | 0 | 0 | 112.6 | ||||
| 636 | N | 24.9 | Very low | 24.1 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 33.1 | 130.1 | 133 | -58.6 | -13.9 | 0 | 0 | 0 | 123.1 | ||||
| 637 | R | 24.1 | Very low | 24 | Very low | 240 Ų | 240 | 147.2 Ų | 147.2 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 69.7 | 152.4 | 147.2 | -67.1 | 173.9 | 176.6 | 179.7 | -3.4 | 117 | ||||
| 638 | S | 26.7 | Very low | 23.8 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -174.2 | 164.8 | -16.1 | 47.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 639 | G | 24.5 | Very low | 23.7 | Very low | 61 Ų | 61 | 149.1 Ų | 149.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | 160.7 | 177.7 | 1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 640 | F | 24.8 | Very low | 23.5 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 132.1 | -178 | -67 | -100.7 | 0 | 0 | 0 | 115 | ||||
| 641 | I | 22.8 | Very low | 23.4 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | 95 | 130.7 | 36 | -69.2 | 161.1 | 0 | 0 | 0 | 111.4 | ||||
| 642 | G | 24.4 | Very low | 23.1 | Very low | 61 Ų | 61 | 140.7 Ų | 140.7 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 162 | 172.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 643 | Q | 21.8 | Very low | 23 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 155.8 | 166.3 | -68.7 | 163.9 | -86.9 | 0 | 0 | 116.9 | ||||
| 644 | E | 20.6 | Very low | 23 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -162.5 | 161.2 | -2.3 | -129.2 | 153 | -151.9 | 0 | 0 | 113.1 | ||||
| 645 | S | 20.8 | Very low | 22.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 44.2 | 151.7 | 151.9 | 53.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 646 | S | 20.7 | Very low | 22.7 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -164.9 | 178.2 | -10.7 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 647 | D | 22 | Very low | 22.6 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 76.8 | 122.2 | 158.5 | -51.6 | -48.9 | 0 | 0 | 0 | 120.7 | ||||
| 648 | M | 22.2 | Very low | 22.7 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | -157 | 136.3 | 172.8 | -107 | -71.5 | 176.3 | 0 | 0 | 108.7 | ||||
| 649 | T | 21.1 | Very low | 22.8 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -118.8 | 138.5 | 174.5 | 48.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 650 | A | 20.3 | Very low | 23.3 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | -48.5 | 141.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 651 | S | 21.3 | Very low | 24.1 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -150 | 165.2 | 130.8 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 652 | T | 21 | Very low | 25.2 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -85.6 | 169.6 | -158.2 | 41 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 653 | N | 22.2 | Very low | 26.6 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | 80.2 | 96.1 | 169.7 | -55.1 | -30.3 | 0 | 0 | 0 | 118 | ||||
| 654 | N | 23.3 | Very low | 28.7 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 71% | 0.708 | S | S | * | * | -170.1 | 113.2 | 124.5 | -97.1 | -22 | 0 | 0 | 0 | 110.4 | |||||
| 655 | N | 23.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | trans | -143.4 | 74.8 | 174.3 | -104.7 | -9.1 | 0 | 0 | 0 | 109.5 | ||||
| 656 | N | 23.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 114.2 Ų | 114.2 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | trans | -147.7 | 53.5 | 174.8 | -103.5 | -2.1 | 0 | 0 | 0 | 109 | ||||
| 657 | D | 23.9 | Very low | 36.2 | Very low | 141 Ų | 141 | 110 Ų | 110 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | trans | -151.5 | 50.8 | -174.2 | -145 | -12.8 | 0 | 0 | 0 | 114.8 | ||||
| 658 | V | 25.7 | Very low | 38.8 | Very low | 112 Ų | 112 | 103.1 Ų | 103.1 | 68% | 0.679 | 58% | 0.576 | S | S | * | * | trans | -141.1 | 120.4 | 159.2 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | F660 | V658-F660 WeakPolarHBondContact O-CD2 3.41Å; V658-F660 PolarHBondContact O-N 3.2Å; V658-F660 VanDerWaalsContact O-N 3.08Å | ||
| 659 | S | 27.9 | Very low | 41.2 | Very low | 110 Ų | 110 | 94.2 Ų | 94.2 | 77% | 0.769 | 53% | 0.533 | S | S | * | . | trans | -73 | 98.5 | 172.4 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 660 | F | 35.4 | Very low | 43.3 | Very low | 171 Ų | 171 | 90 Ų | 90 | 75% | 0.75 | 51% | 0.508 | S | S | * | . | trans | -61.5 | 135.5 | -179.5 | -87.8 | -96.2 | 0 | 0 | 0 | 112.7 | V658 R662 | V658-F660 WeakPolarHBondContact O-CD2 3.41Å; V658-F660 PolarHBondContact O-N 3.2Å; V658-F660 VanDerWaalsContact O-N 3.08Å; F660-R662 PolarHBondContact O-N 3.18Å | ||
| 661 | N | 41.4 | Very low | 45.5 | Very low | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | trans | -79.4 | 93.1 | -170.3 | -74.2 | -81.9 | 0 | 0 | 0 | 112.2 | Y621 L663 | Y621-N661 WeakPolarHBondContact CE2-ND2 3.28Å; Y621-N661 VanDerWaalsContact OH-CG 3.31Å; Y621-N661 PolarHBondContact OH-ND2 3.19Å; Y621-N661 PolarHBondContact OH-OD1 3.02Å; N661-L663 PolarHBondContact O-N 2.98Å | ||
| 662 | R | 47.2 | Very low | 47.7 | Very low | 164 Ų | 164 | 82.7 Ų | 82.7 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | trans | -63 | 102 | 174.4 | -69 | -174.2 | 178.3 | -168.7 | -5.8 | 111.7 | F660 R775 | F660-R662 PolarHBondContact O-N 3.18Å; R662-R775 PolarHBondContact NH1-O 3.37Å | ||
| 663 | L | 53.9 | Low | 50 | Low | 58 Ų | 58 | 78.2 Ų | 78.2 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | trans | -62.3 | 136.3 | 154.8 | -80.1 | 142 | 0 | 0 | 0 | 108.8 | V459 N661 | V459-L663 HydrophobicContact CG1-CD2 4.26Å; V459-L663 HydrophobicContact CG2-CD1 3.68Å; V459-L663 HydrophobicContact CG2-CD2 4.05Å; N661-L663 PolarHBondContact O-N 2.98Å | ||
| 664 | C | 64.3 | Low | 52.1 | Low | 24 Ų | 24 | 71.3 Ų | 71.3 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -127.1 | 87.6 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | N779 C801 N802 | C664-N779 WeakPolarHBondContact CA-O 3.42Å; C664-C801 VanDerWaalsContact O-CA 3.23Å; C664-C801 WeakPolarHBondContact O-CA 3.4Å; C664-C801 WeakPolarHBondContact O-CB 3.49Å; C664-N802 PolarHBondContact N-OD1 2.92Å; C664-N802 VanDerWaalsContact N-OD1 3.15Å; C664-N802 PolarHBondContact O-N 3.38Å; C664-N802 PolarHBondContact O-OD1 2.85Å | ||
| 665 | G | 67.3 | Low | 54.3 | Low | 6 Ų | 6 | 63.6 Ų | 63.6 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 144.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N779 L781 L803 | G665-N779 PolarHBondContact N-O 2.94Å; G665-L781 PolarHBondContact O-N 3.32Å; G665-L803 WeakPolarHBondContact CA-O 3Å |
| 666 | L | 76.6 | Confident | 56.5 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119 | 176.4 | -164.2 | 64.4 | 0 | 0 | 0 | 109.8 | L668 L781 I788 L803 V804 I805 R822 | L666-L668 HydrophobicContact CD2-CD2 3.99Å; L666-L668 HydrophobicContact CG-CD2 3.86Å; L666-L781 HydrophobicContact CD1-CB 3.86Å; L666-L781 HydrophobicContact CD1-CD2 3.88Å; L666-L781 HydrophobicContact CD1-CG 4.09Å; L666-I788 HydrophobicContact CD1-CD1 3.93Å; L666-I788 HydrophobicContact CD2-CD1 3.82Å; L666-I788 HydrophobicContact CG-CD1 3.94Å; L666-L803 PolarHBondContact N-O 2.94Å; L666-V804 HydrophobicContact CB-CG2 4.27Å; L666-V804 WeakPolarHBondContact O-CA 3.47Å; L666-I805 PolarHBondContact O-N 3.47Å; L666-R822 HydrophobicContact CD2-CB 4.09Å; L666-R822 HydrophobicContact CD2-CG 4.33Å |
| 667 | I | 76.5 | Confident | 58.6 | Low | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.9 | 176.4 | -56 | -179.7 | 0 | 0 | 0 | 108.3 | V669 L678 I682 L780 L781 V782 A783 I805 L807 | I667-V669 HydrophobicContact CG2-CG2 4.04Å; I667-L678 HydrophobicContact CG2-CD2 3.86Å; I667-I682 HydrophobicContact CD1-CD1 4.05Å; I667-L780 HydrophobicContact CD1-CD1 4.04Å; I667-L780 HydrophobicContact CD1-CD2 4.19Å; I667-L780 HydrophobicContact CD1-CG 4.36Å; I667-L780 HydrophobicContact CG1-CD1 4.02Å; I667-L781 PolarHBondContact N-O 3.38Å; I667-V782 HydrophobicContact CB-CG2 4.44Å; I667-V782 HydrophobicContact CD1-CG2 4.36Å; I667-A783 PolarHBondContact O-N 3.06Å; I667-I805 CarbonylContact C-O 3.51Å; I667-I805 WeakPolarHBondContact CA-O 3.49Å; I667-I805 HydrophobicContact CG1-CG1 4.28Å; I667-L807 HydrophobicContact CG2-CD1 4.5Å |
| 668 | L | 77.1 | Confident | 60.8 | Low | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.3 | -175.2 | -45.3 | 173.1 | 0 | 0 | 0 | 109.5 | L666 A783 I788 V804 I805 A806 L807 | L666-L668 HydrophobicContact CD2-CD2 3.99Å; L666-L668 HydrophobicContact CG-CD2 3.86Å; L668-A783 WeakPolarHBondContact CA-O 3.32Å; L668-I788 HydrophobicContact CD2-CD1 3.12Å; L668-V804 HydrophobicContact CD1-CG1 3.47Å; L668-V804 VanDerWaalsContact CD1-CG1 3.47Å; L668-V804 HydrophobicContact CG-CG1 3.99Å; L668-I805 PolarHBondContact N-O 3.1Å; L668-A806 HydrophobicContact CB-CB 4Å; L668-A806 HydrophobicContact CD1-CB 3.99Å; L668-A806 HydrophobicContact CG-CB 4.43Å; L668-L807 PolarHBondContact O-N 3.08Å |
| 669 | V | 73 | Confident | 63 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.9 | -168.2 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | I667 S674 A675 L678 V782 A783 T784 Q785 L807 | I667-V669 HydrophobicContact CG2-CG2 4.04Å; V669-S674 VanDerWaalsContact CG1-OG 3.29Å; V669-S674 WeakPolarHBondContact CG1-OG 3.49Å; V669-A675 HydrophobicContact CB-CB 4.23Å; V669-A675 HydrophobicContact CG1-CB 4.35Å; V669-A675 HydrophobicContact CG2-CB 4.37Å; V669-L678 HydrophobicContact CG2-CD2 4.31Å; V669-V782 HydrophobicContact CG2-CG1 3.63Å; V669-A783 PolarHBondContact N-O 3.07Å; V669-T784 VanDerWaalsContact O-CA 3.26Å; V669-T784 WeakPolarHBondContact O-CA 3.2Å; V669-Q785 PolarHBondContact O-N 2.91Å; V669-Q785 VanDerWaalsContact O-N 3.14Å; V669-L807 HydrophobicContact CB-CD1 4.47Å; V669-L807 HydrophobicContact CG1-CD1 4.15Å; V669-L807 HydrophobicContact CG2-CD1 4.1Å |
| 670 | P | 64.4 | Low | 64.9 | Low | 45 Ų | 45 | 40.2 Ų | 40.2 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -67.8 | -44.2 | -177.7 | 20.9 | -30.9 | 0 | 0 | 0 | 114.4 | E340 | E340-P670 WeakPolarHBondContact OE2-CG 3.3Š|
| 671 | C | 66.4 | Low | 66.4 | Low | 21 Ų | 21 | 32.7 Ų | 32.7 | 14% | 0.142 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -126.3 | 160.3 | -175.3 | 95 | 0 | 0 | 0 | 0 | 113.5 | F673 S674 A675 | C671-F673 VanDerWaalsContact C-N 3.27Å; C671-F673 PolarHBondContact O-N 3.31Å; C671-S674 PolarHBondContact N-OG 3.39Å; C671-S674 PolarHBondContact O-N 3.23Å; C671-S674 PolarHBondContact O-OG 2.69Å; C671-S674 VanDerWaalsContact O-OG 3.11Å; C671-S674 PolarHBondContact SG-N 2.96Å; C671-S674 PolarHBondContact SG-OG 3.15Å; C671-A675 PolarHBondContact O-N 2.82Å; C671-A675 VanDerWaalsContact O-N 3.11Å |
| 672 | Q | 67.9 | Low | 67.7 | Low | 52 Ų | 52 | 28.7 Ų | 28.7 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.4 | -31.2 | -175.8 | 68.6 | -173.5 | 4.9 | 0 | 0 | 113.2 | A675 Y676 F701 T784 | Q672-A675 PolarHBondContact O-N 3.48Å; Q672-Y676 PolarHBondContact O-N 2.89Å; Q672-Y676 VanDerWaalsContact O-N 3.11Å; Q672-F701 HydrophobicContact CB-CB 3.66Å; Q672-F701 HydrophobicContact CB-CD2 4.05Å; Q672-F701 HydrophobicContact CB-CG 3.95Å; Q672-T784 HydrophobicContact CB-CG2 4.32Å |
| 673 | F | 68.6 | Low | 68.6 | Low | 31 Ų | 31 | 23.9 Ų | 23.9 | 14% | 0.136 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -77.2 | -39 | -178.5 | -62.6 | -67.3 | 0 | 0 | 0 | 111.6 | I337 I349 F353 C671 A675 Y676 A677 | I337-F673 HydrophobicContact CD1-CB 3.61Å; I349-F673 HydrophobicContact CD1-CB 3.97Å; I349-F673 HydrophobicContact CD1-CD1 4.36Å; I349-F673 WeakPolarHBondContact CD1-O 3.5Å; I349-F673 HydrophobicContact CG1-CB 4.32Å; I349-F673 HydrophobicContact CG2-CB 4.25Å; F353-F673 HydrophobicContact CE1-CE1 4.26Å; F353-F673 HydrophobicContact CE1-CE2 4.34Å; F353-F673 AromaticContact CE1-CZ 3.94Å; F353-F673 HydrophobicContact CE1-CZ 3.94Å; F353-F673 HydrophobicContact CZ-CD1 4.4Å; F353-F673 HydrophobicContact CZ-CD2 4.14Å; F353-F673 HydrophobicContact CZ-CE1 4.13Å; F353-F673 AromaticContact CZ-CE2 3.85Å; F353-F673 HydrophobicContact CZ-CE2 3.85Å; F353-F673 HydrophobicContact CZ-CG 4.41Å; F353-F673 AromaticContact CZ-CZ 3.84Å; F353-F673 HydrophobicContact CZ-CZ 3.84Å; C671-F673 VanDerWaalsContact C-N 3.27Å; C671-F673 PolarHBondContact O-N 3.31Å; F673-A675 VanDerWaalsContact C-N 3.29Å; F673-A675 PolarHBondContact O-N 3.12Å; F673-Y676 PolarHBondContact O-N 3.49Å; F673-A677 VanDerWaalsContact O-CB 3.31Å; F673-A677 WeakPolarHBondContact O-CB 3.46Å; F673-A677 PolarHBondContact O-N 2.85Å |
| 674 | S | 68.1 | Low | 69.1 | Low | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -32.2 | 170.1 | 37.1 | 0 | 0 | 0 | 0 | 112 | L341 V669 C671 L678 | L341-S674 VanDerWaalsContact CD1-CB 3.41Å; V669-S674 VanDerWaalsContact CG1-OG 3.29Å; V669-S674 WeakPolarHBondContact CG1-OG 3.49Å; C671-S674 PolarHBondContact N-OG 3.39Å; C671-S674 PolarHBondContact O-N 3.23Å; C671-S674 PolarHBondContact O-OG 2.69Å; C671-S674 VanDerWaalsContact O-OG 3.11Å; C671-S674 PolarHBondContact SG-N 2.96Å; C671-S674 PolarHBondContact SG-OG 3.15Å; S674-L678 WeakPolarHBondContact O-CB 3.32Å; S674-L678 PolarHBondContact O-N 3.28Å |
| 675 | A | 69.3 | Low | 69 | Low | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V669 C671 Q672 F673 S679 V782 T784 | V669-A675 HydrophobicContact CB-CB 4.23Å; V669-A675 HydrophobicContact CG1-CB 4.35Å; V669-A675 HydrophobicContact CG2-CB 4.37Å; C671-A675 PolarHBondContact O-N 2.82Å; C671-A675 VanDerWaalsContact O-N 3.11Å; Q672-A675 PolarHBondContact O-N 3.48Å; F673-A675 VanDerWaalsContact C-N 3.29Å; F673-A675 PolarHBondContact O-N 3.12Å; A675-S679 PolarHBondContact O-N 3.44Å; A675-S679 PolarHBondContact O-OG 3.4Å; A675-V782 HydrophobicContact CB-CG1 4.14Å; A675-V782 WeakPolarHBondContact O-CG1 3.21Å; A675-T784 HydrophobicContact CB-CG2 4.16Å |
| 676 | Y | 68.3 | Low | 68.7 | Low | 74 Ų | 74 | 25.8 Ų | 25.8 | 29% | 0.29 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68.8 | -41.2 | 175.8 | 174.8 | -94 | 0 | 0 | 0 | 113 | I349 V352 Q672 F673 L678 S679 R680 H699 | I349-Y676 HydrophobicContact CD1-CD1 3.99Å; V352-Y676 HydrophobicContact CG2-CE1 4.07Å; Q672-Y676 PolarHBondContact O-N 2.89Å; Q672-Y676 VanDerWaalsContact O-N 3.11Å; F673-Y676 PolarHBondContact O-N 3.49Å; Y676-L678 VanDerWaalsContact C-N 3.33Å; Y676-L678 PolarHBondContact O-N 3.19Å; Y676-S679 PolarHBondContact O-OG 2.93Å; Y676-R680 WeakPolarHBondContact O-CB 3.43Å; Y676-R680 PolarHBondContact O-N 3.46Å; Y676-H699 AromaticContact CD2-NE2 3.95Å |
| 677 | A | 67.3 | Low | 67.7 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C345 I349 F673 L681 | C345-A677 HydrophobicContact CB-CB 4.17Å; I349-A677 HydrophobicContact CD1-CB 4.13Å; I349-A677 HydrophobicContact CG1-CB 3.91Å; F673-A677 VanDerWaalsContact O-CB 3.31Å; F673-A677 WeakPolarHBondContact O-CB 3.46Å; F673-A677 PolarHBondContact O-N 2.85Å; A677-L681 WeakPolarHBondContact O-CB 3.4Å; A677-L681 PolarHBondContact O-N 3.22Å |
| 678 | L | 71.3 | Confident | 66.2 | Low | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.4 | -37.6 | 179.9 | -173.8 | 62.6 | 0 | 0 | 0 | 112.8 | L466 I667 V669 S674 Y676 L681 I682 V782 L807 | L466-L678 HydrophobicContact CD2-CD1 3.92Å; I667-L678 HydrophobicContact CG2-CD2 3.86Å; V669-L678 HydrophobicContact CG2-CD2 4.31Å; S674-L678 WeakPolarHBondContact O-CB 3.32Å; S674-L678 PolarHBondContact O-N 3.28Å; Y676-L678 VanDerWaalsContact C-N 3.33Å; Y676-L678 PolarHBondContact O-N 3.19Å; L678-L681 HydrophobicContact CD1-CD2 3.97Å; L678-L681 PolarHBondContact O-N 2.86Å; L678-I682 HydrophobicContact CD1-CD1 4.09Å; L678-I682 HydrophobicContact CD1-CG1 4.32Å; L678-I682 HydrophobicContact CG-CD1 4.01Å; L678-I682 VanDerWaalsContact O-CG1 3.28Å; L678-I682 WeakPolarHBondContact O-CG1 3.18Å; L678-I682 PolarHBondContact O-N 3.12Å; L678-I682 VanDerWaalsContact O-N 3.12Å; L678-V782 HydrophobicContact CB-CG1 4.28Å; L678-V782 HydrophobicContact CD2-CG1 4.18Å; L678-V782 HydrophobicContact CG-CG1 4.41Å; L678-L807 HydrophobicContact CD2-CD1 3.97Å |
| 679 | S | 71.1 | Confident | 64.7 | Low | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 172.4 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | A675 Y676 L681 I682 D683 | A675-S679 PolarHBondContact O-N 3.44Å; A675-S679 PolarHBondContact O-OG 3.4Å; Y676-S679 PolarHBondContact O-OG 2.93Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.97Å; S679-I682 PolarHBondContact O-N 3.36Å; S679-I682 VanDerWaalsContact O-N 3.16Å; S679-D683 WeakPolarHBondContact O-CB 3.1Å; S679-D683 VanDerWaalsContact O-CG 3.24Å; S679-D683 PolarHBondContact O-N 2.77Å; S679-D683 VanDerWaalsContact O-OD2 3.12Å |
| 680 | R | 68 | Low | 63.4 | Low | 94 Ų | 94 | 46.3 Ų | 46.3 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 177.8 | -170 | 176 | -175.3 | 96.8 | 17.6 | 112.6 | W344 Y676 E684 | W344-R680 HydrophobicContact CH2-CG 4.49Å; Y676-R680 WeakPolarHBondContact O-CB 3.43Å; Y676-R680 PolarHBondContact O-N 3.46Å; R680-E684 HydrophobicContact CG-CG 4.14Å; R680-E684 IonicContact CZ-OE1 3.6Å; R680-E684 VanDerWaalsContact CZ-OE1 3.28Å; R680-E684 IonicContact NE-OE1 2.75Å; R680-E684 PolarHBondContact NE-OE1 2.65Å; R680-E684 IonicContact NH2-OE1 2.67Å; R680-E684 PolarHBondContact NH2-OE1 3.47Å; R680-E684 WeakPolarHBondContact O-CB 3.35Å; R680-E684 WeakPolarHBondContact O-CG 3.35Å; R680-E684 PolarHBondContact O-N 3.11Å |
| 681 | L | 67.2 | Low | 62.2 | Low | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.6 | -53.1 | 172.8 | -179.8 | 102.2 | 0 | 0 | 0 | 111.2 | W344 Y469 A677 L678 S679 E684 L685 | W344-L681 HydrophobicContact CD2-CD1 4.35Å; W344-L681 HydrophobicContact CE3-CD1 3.71Å; W344-L681 HydrophobicContact CH2-CB 4.17Å; W344-L681 HydrophobicContact CH2-CD1 4.33Å; W344-L681 HydrophobicContact CZ3-CB 3.74Å; W344-L681 HydrophobicContact CZ3-CD1 3.72Å; W344-L681 HydrophobicContact CZ3-CG 4.34Å; Y469-L681 HydrophobicContact CE1-CD1 4.43Å; Y469-L681 HydrophobicContact CE2-CD1 3.52Å; Y469-L681 HydrophobicContact CE2-CD2 4.43Å; Y469-L681 VanDerWaalsContact CZ-CD1 3.43Å; Y469-L681 WeakPolarHBondContact OH-CD1 3.25Å; A677-L681 WeakPolarHBondContact O-CB 3.4Å; A677-L681 PolarHBondContact O-N 3.22Å; L678-L681 HydrophobicContact CD1-CD2 3.97Å; L678-L681 PolarHBondContact O-N 2.86Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.97Å; L681-E684 PolarHBondContact O-N 3.32Å; L681-L685 HydrophobicContact CD2-CD1 3.9Å; L681-L685 HydrophobicContact CG-CD1 3.96Å; L681-L685 WeakPolarHBondContact O-CG 3.07Å; L681-L685 PolarHBondContact O-N 3.29Å |
| 682 | I | 68.3 | Low | 61.3 | Low | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.6 | -33.6 | -173.1 | -51.6 | 163 | 0 | 0 | 0 | 110 | I667 L678 S679 L685 C686 I697 L780 | I667-I682 HydrophobicContact CD1-CD1 4.05Å; L678-I682 HydrophobicContact CD1-CD1 4.09Å; L678-I682 HydrophobicContact CD1-CG1 4.32Å; L678-I682 HydrophobicContact CG-CD1 4.01Å; L678-I682 VanDerWaalsContact O-CG1 3.28Å; L678-I682 WeakPolarHBondContact O-CG1 3.18Å; L678-I682 PolarHBondContact O-N 3.12Å; L678-I682 VanDerWaalsContact O-N 3.12Å; S679-I682 PolarHBondContact O-N 3.36Å; S679-I682 VanDerWaalsContact O-N 3.16Å; I682-L685 PolarHBondContact O-N 3.12Å; I682-C686 WeakPolarHBondContact O-CB 3.39Å; I682-C686 PolarHBondContact O-N 2.85Å; I682-C686 PolarHBondContact O-SG 3.2Å; I682-I697 HydrophobicContact CB-CD1 3.47Å; I682-I697 VanDerWaalsContact CB-CD1 3.47Å; I682-I697 HydrophobicContact CG2-CD1 3.35Å; I682-L780 HydrophobicContact CD1-CD2 4.27Å; I682-L780 HydrophobicContact CG2-CD2 4.39Å |
| 683 | D | 65.9 | Low | 60.1 | Low | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 170.3 | -71.7 | -39.7 | 0 | 0 | 0 | 111.1 | S679 L685 C686 I687 I697 | S679-D683 WeakPolarHBondContact O-CB 3.1Å; S679-D683 VanDerWaalsContact O-CG 3.24Å; S679-D683 PolarHBondContact O-N 2.77Å; S679-D683 VanDerWaalsContact O-OD2 3.12Å; D683-L685 VanDerWaalsContact C-N 3.34Å; D683-L685 PolarHBondContact O-N 2.86Å; D683-C686 PolarHBondContact O-N 3.25Å; D683-I687 WeakPolarHBondContact O-CG1 3.2Å; D683-I687 PolarHBondContact O-N 3.26Å; D683-I697 WeakPolarHBondContact OD1-CB 3.33Å |
| 684 | E | 65.4 | Low | 59 | Low | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.7 | -57.2 | -98.3 | -169.3 | 0 | 0 | 110.7 | W344 R680 L681 I687 | W344-E684 HydrophobicContact CH2-CG 4.48Å; W344-E684 HydrophobicContact CZ2-CG 4.47Å; R680-E684 HydrophobicContact CG-CG 4.14Å; R680-E684 IonicContact CZ-OE1 3.6Å; R680-E684 VanDerWaalsContact CZ-OE1 3.28Å; R680-E684 IonicContact NE-OE1 2.75Å; R680-E684 PolarHBondContact NE-OE1 2.65Å; R680-E684 IonicContact NH2-OE1 2.67Å; R680-E684 PolarHBondContact NH2-OE1 3.47Å; R680-E684 WeakPolarHBondContact O-CB 3.35Å; R680-E684 WeakPolarHBondContact O-CG 3.35Å; R680-E684 PolarHBondContact O-N 3.11Å; L681-E684 PolarHBondContact O-N 3.32Å; E684-I687 PolarHBondContact O-N 3.12Å |
| 685 | L | 62.2 | Low | 58.2 | Low | 51 Ų | 51 | 60.2 Ų | 60.2 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.3 | -73.1 | 169.1 | 0 | 0 | 0 | 113.1 | F451 L681 I682 D683 I687 W688 | F451-L685 HydrophobicContact CE2-CD2 4.18Å; F451-L685 HydrophobicContact CZ-CD2 3.98Å; L681-L685 HydrophobicContact CD2-CD1 3.9Å; L681-L685 HydrophobicContact CG-CD1 3.96Å; L681-L685 WeakPolarHBondContact O-CG 3.07Å; L681-L685 PolarHBondContact O-N 3.29Å; I682-L685 PolarHBondContact O-N 3.12Å; D683-L685 VanDerWaalsContact C-N 3.34Å; D683-L685 PolarHBondContact O-N 2.86Å; L685-I687 PolarHBondContact O-N 3.24Å; L685-W688 PolarHBondContact O-N 2.75Å |
| 686 | C | 59.8 | Low | 57.3 | Low | 10 Ų | 10 | 65.2 Ų | 65.2 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71 | -13.1 | -179 | -73.9 | 0 | 0 | 0 | 0 | 113.9 | I682 D683 L692 | I682-C686 WeakPolarHBondContact O-CB 3.39Å; I682-C686 PolarHBondContact O-N 2.85Å; I682-C686 PolarHBondContact O-SG 3.2Å; D683-C686 PolarHBondContact O-N 3.25Å; C686-L692 HydrophobicContact CB-CB 4.41Å |
| 687 | I | 55.3 | Low | 57 | Low | 118 Ų | 118 | 62.9 Ų | 62.9 | 61% | 0.605 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -76.5 | -26.8 | 175 | -70.4 | 165.1 | 0 | 0 | 0 | 112 | D683 E684 L685 | D683-I687 WeakPolarHBondContact O-CG1 3.2Å; D683-I687 PolarHBondContact O-N 3.26Å; E684-I687 PolarHBondContact O-N 3.12Å; L685-I687 PolarHBondContact O-N 3.24Å |
| 688 | W | 46.1 | Very low | 56.5 | Low | 168 Ų | 168 | 63.1 Ų | 63.1 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -92.7 | -3.4 | -177.3 | -58.4 | 92.5 | 0 | 0 | 0 | 114.6 | F451 I455 L685 | F451-W688 AromaticContact CE1-CD1 3.88Å; F451-W688 HydrophobicContact CE1-CD2 4.4Å; F451-W688 HydrophobicContact CE1-CG 4.09Å; I455-W688 HydrophobicContact CD1-CB 3.66Å; L685-W688 PolarHBondContact O-N 2.75Å |
| 689 | D | 44.5 | Very low | 56.3 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | trans | -125.3 | 117.1 | -177.9 | -165.2 | -15.1 | 0 | 0 | 0 | 111.9 | I455 D691 L692 Y693 | I455-D689 HydrophobicContact CG2-CB 3.69Å; D689-D691 PolarHBondContact O-N 2.72Å; D689-D691 PolarHBondContact OD1-N 3.31Å; D689-L692 HydrophobicContact CB-CB 4.03Å; D689-L692 HydrophobicContact CB-CD1 3.91Å; D689-L692 HydrophobicContact CB-CG 3.96Å; D689-L692 PolarHBondContact O-N 2.96Å; D689-L692 WeakPolarHBondContact OD2-CD1 3.49Å; D689-Y693 PolarHBondContact O-N 2.78Å; D689-Y693 VanDerWaalsContact O-N 3.11Å | ||
| 690 | V | 45.7 | Very low | 56.1 | Low | 136 Ų | 136 | 66 Ų | 66 | 82% | 0.824 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.1 | 177.7 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | L692 | V690-L692 VanDerWaalsContact C-N 3.28Å; V690-L692 PolarHBondContact O-N 2.84Å |
| 691 | D | 39.2 | Very low | 56 | Low | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.5 | 177.5 | -85.9 | -11.5 | 0 | 0 | 0 | 113.4 | P457 D689 F694 | P457-D691 HydrophobicContact CB-CB 3.87Å; P457-D691 HydrophobicContact CG-CB 4.39Å; P457-D691 WeakPolarHBondContact CG-OD2 3.18Å; D689-D691 PolarHBondContact O-N 2.72Å; D689-D691 PolarHBondContact OD1-N 3.31Å; D691-F694 WeakPolarHBondContact O-CE1 3.43Å; D691-F694 WeakPolarHBondContact O-CZ 3.36Å |
| 692 | L | 48.1 | Very low | 55.4 | Low | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -8.7 | 175.3 | -57 | 174.9 | 0 | 0 | 0 | 114.2 | C686 D689 V690 F694 I695 | C686-L692 HydrophobicContact CB-CB 4.41Å; D689-L692 HydrophobicContact CB-CB 4.03Å; D689-L692 HydrophobicContact CB-CD1 3.91Å; D689-L692 HydrophobicContact CB-CG 3.96Å; D689-L692 PolarHBondContact O-N 2.96Å; D689-L692 WeakPolarHBondContact OD2-CD1 3.49Å; V690-L692 VanDerWaalsContact C-N 3.28Å; V690-L692 PolarHBondContact O-N 2.84Å; L692-F694 PolarHBondContact O-N 2.71Å; L692-I695 HydrophobicContact CB-CD1 4.35Å; L692-I695 HydrophobicContact CD2-CD1 3.72Å; L692-I695 WeakPolarHBondContact O-CB 3.23Å; L692-I695 WeakPolarHBondContact O-CG1 3.49Å; L692-I695 PolarHBondContact O-N 2.92Å |
| 693 | Y | 43.2 | Very low | 54.4 | Low | 182 Ų | 182 | 71.9 Ų | 71.9 | 71% | 0.714 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.4 | -179.4 | -173.2 | -100.1 | 0 | 0 | 0 | 114.8 | D689 I695 | D689-Y693 PolarHBondContact O-N 2.78Å; D689-Y693 VanDerWaalsContact O-N 3.11Å; Y693-I695 VanDerWaalsContact C-N 3.31Å; Y693-I695 PolarHBondContact O-N 3.24Å |
| 694 | F | 43.7 | Very low | 53.1 | Low | 101 Ų | 101 | 73.6 Ų | 73.6 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.4 | 174.7 | 62.8 | -103.2 | 0 | 0 | 0 | 114.6 | D691 L692 K696 N779 | D691-F694 WeakPolarHBondContact O-CE1 3.43Å; D691-F694 WeakPolarHBondContact O-CZ 3.36Å; L692-F694 PolarHBondContact O-N 2.71Å; F694-K696 PolarHBondContact O-N 2.89Å; F694-N779 PolarHBondContact O-ND2 3.17Å |
| 695 | I | 52.6 | Low | 51.8 | Low | 28 Ų | 28 | 74.3 Ų | 74.3 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | trans | -82.7 | 84.3 | 178.5 | -54.6 | -177.8 | 0 | 0 | 0 | 109.1 | L692 Y693 I697 L780 | L692-I695 HydrophobicContact CB-CD1 4.35Å; L692-I695 HydrophobicContact CD2-CD1 3.72Å; L692-I695 WeakPolarHBondContact O-CB 3.23Å; L692-I695 WeakPolarHBondContact O-CG1 3.49Å; L692-I695 PolarHBondContact O-N 2.92Å; Y693-I695 VanDerWaalsContact C-N 3.31Å; Y693-I695 PolarHBondContact O-N 3.24Å; I695-I697 HydrophobicContact CG2-CD1 4.44Å; I695-I697 HydrophobicContact CG2-CG1 4.1Å; I695-I697 WeakPolarHBondContact O-CG1 3.08Å; I695-L780 HydrophobicContact CG2-CB 3.87Å; I695-L780 HydrophobicContact CG2-CD2 4.15Å | ||
| 696 | K | 50.3 | Low | 50.5 | Low | 105 Ų | 105 | 74.9 Ų | 74.9 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | trans | -74.5 | 129.1 | 168.1 | -70.5 | 177.6 | 176.9 | 177.7 | 0 | 110.2 | F694 A777 I778 N779 L780 | F694-K696 PolarHBondContact O-N 2.89Å; K696-A777 VanDerWaalsContact CB-O 3.22Å; K696-A777 WeakPolarHBondContact CB-O 3.48Å; K696-A777 WeakPolarHBondContact CD-O 3.41Å; K696-I778 WeakPolarHBondContact O-CG2 3.18Å; K696-N779 PolarHBondContact O-N 3.49Å; K696-L780 PolarHBondContact O-N 2.79Å | ||
| 697 | I | 61.2 | Low | 49 | Very low | 24 Ų | 24 | 77 Ų | 77 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.5 | -172.2 | -47.5 | -174.1 | 0 | 0 | 0 | 110.4 | I682 D683 I695 L780 V782 | I682-I697 HydrophobicContact CB-CD1 3.47Å; I682-I697 VanDerWaalsContact CB-CD1 3.47Å; I682-I697 HydrophobicContact CG2-CD1 3.35Å; D683-I697 WeakPolarHBondContact OD1-CB 3.33Å; I695-I697 HydrophobicContact CG2-CD1 4.44Å; I695-I697 HydrophobicContact CG2-CG1 4.1Å; I695-I697 WeakPolarHBondContact O-CG1 3.08Å; I697-L780 WeakPolarHBondContact CA-O 3.33Å; I697-L780 HydrophobicContact CD1-CD2 4.29Å; I697-L780 HydrophobicContact CG1-CB 4.45Å; I697-V782 HydrophobicContact CG2-CG2 3.96Å |
| 698 | G | 57.3 | Low | 47.7 | Very low | 6 Ų | 6 | 79.7 Ų | 79.7 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I778 L780 V782 | G698-I778 VanDerWaalsContact N-CG2 3.34Å; G698-L780 PolarHBondContact N-O 2.96Å; G698-L780 VanDerWaalsContact N-O 3.09Å; G698-V782 PolarHBondContact O-N 2.95Å |
| 699 | H | 67.8 | Low | 46.7 | Very low | 66 Ų | 66 | 79.3 Ų | 79.3 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140 | 169.6 | 63.4 | -82.7 | 0 | 0 | 0 | 111.6 | Y676 F701 V782 | Y676-H699 AromaticContact CD2-NE2 3.95Å; H699-F701 AromaticContact CD2-CD1 3.91Å; H699-F701 AromaticContact CD2-CE1 3.69Å; H699-F701 AromaticContact NE2-CE1 3.97Å; H699-V782 WeakPolarHBondContact CA-O 3.36Å |
| 700 | L | 66.7 | Low | 45.6 | Very low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.8 | -176 | -174.7 | 69.9 | 0 | 0 | 0 | 111.5 | F762 Q766 I770 L781 V782 A783 T784 A787 V791 | L700-F762 HydrophobicContact CD1-CD1 4.14Å; L700-F762 HydrophobicContact CD1-CE1 4.24Å; L700-Q766 HydrophobicContact CD1-CB 3.89Å; L700-Q766 HydrophobicContact CD1-CG 4.21Å; L700-I770 HydrophobicContact CD1-CD1 4.29Å; L700-I770 HydrophobicContact CD1-CG1 4.42Å; L700-I770 HydrophobicContact CD2-CD1 4.09Å; L700-I770 HydrophobicContact CD2-CG1 4.1Å; L700-L781 HydrophobicContact CB-CD1 4.27Å; L700-V782 PolarHBondContact N-O 3.07Å; L700-A783 HydrophobicContact CB-CB 4.02Å; L700-A783 CarbonylContact O-C 3.58Å; L700-A783 VanDerWaalsContact O-CA 3.26Å; L700-A783 WeakPolarHBondContact O-CA 3.18Å; L700-T784 PolarHBondContact O-N 3.31Å; L700-A787 HydrophobicContact CG-CB 4.25Å; L700-V791 HydrophobicContact CD2-CG2 3.91Å |
| 701 | F | 65.6 | Low | 44.6 | Very low | 53 Ų | 53 | 85.6 Ų | 85.6 | 23% | 0.232 | 41% | 0.406 | C | S | . | . | trans | -142.2 | 142.1 | -178.5 | 58.6 | -83.6 | 0 | 0 | 0 | 110.3 | Q672 H699 Q766 T784 | Q672-F701 HydrophobicContact CB-CB 3.66Å; Q672-F701 HydrophobicContact CB-CD2 4.05Å; Q672-F701 HydrophobicContact CB-CG 3.95Å; H699-F701 AromaticContact CD2-CD1 3.91Å; H699-F701 AromaticContact CD2-CE1 3.69Å; H699-F701 AromaticContact NE2-CE1 3.97Å; F701-Q766 PolarHBondContact O-NE2 2.87Å; F701-T784 HydrophobicContact CB-CG2 3.93Å | ||
| 702 | C | 54.6 | Low | 43.8 | Very low | 15 Ų | 15 | 88.5 Ų | 88.5 | 10% | 0.101 | 42% | 0.421 | C | S | . | . | trans | -74.9 | 145.1 | 180 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | Q704 A787 | C702-Q704 PolarHBondContact O-N 3.28Å; C702-A787 HydrophobicContact CB-CB 4.28Å | ||
| 703 | R | 46.4 | Very low | 42.5 | Very low | 168 Ų | 168 | 93.4 Ų | 93.4 | 63% | 0.634 | 45% | 0.447 | S | S | * | . | trans | -74.7 | 57.1 | 179.8 | -161 | 178.7 | -173.6 | 172.1 | 4.7 | 113.4 | T705 P761 | R703-T705 PolarHBondContact O-N 3.14Å; R703-P761 WeakPolarHBondContact CB-O 3.1Å; R703-P761 PolarHBondContact N-O 2.79Å | ||
| 704 | Q | 40.3 | Very low | 41.5 | Very low | 99 Ų | 99 | 89.5 Ų | 89.5 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | trans | -71.9 | 109.8 | 170.2 | -84.4 | 172.4 | -88.8 | 0 | 0 | 110.2 | C702 | C702-Q704 PolarHBondContact O-N 3.28Š| ||
| 705 | T | 36.5 | Very low | 40.5 | Very low | 80 Ų | 80 | 87.7 Ų | 87.7 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | trans | -58 | 141 | 162.5 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | R703 L707 | R703-T705 PolarHBondContact O-N 3.14Å; T705-L707 PolarHBondContact O-N 3.25Å | ||
| 706 | L | 34.7 | Very low | 39 | Very low | 64 Ų | 64 | 90.9 Ų | 90.9 | 34% | 0.335 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 33.3 | -172.2 | -71.1 | 156.4 | 0 | 0 | 0 | 116.2 | Y326 R329 | Y326-L706 HydrophobicContact CD2-CD1 4.16Å; Y326-L706 HydrophobicContact CE2-CD1 3.88Å; R329-L706 PolarHBondContact NH1-O 3.3Å |
| 707 | L | 29.3 | Very low | 37.6 | Very low | 55 Ų | 55 | 91.8 Ų | 91.8 | 29% | 0.288 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | 23.5 | -167.5 | -84.5 | -178.3 | 0 | 0 | 0 | 115.2 | F319 I321 T705 | F319-L707 HydrophobicContact CB-CD1 4.1Å; F319-L707 HydrophobicContact CD1-CD1 3.49Å; F319-L707 VanDerWaalsContact CD1-CD1 3.49Å; F319-L707 HydrophobicContact CE1-CD1 4.25Å; F319-L707 HydrophobicContact CG-CD1 4.12Å; I321-L707 HydrophobicContact CD1-CD1 4.38Å; I321-L707 HydrophobicContact CG1-CD1 3.56Å; I321-L707 HydrophobicContact CG1-CG 4.16Å; T705-L707 PolarHBondContact O-N 3.25Å |
| 708 | K | 28.5 | Very low | 35.7 | Very low | 173 Ų | 173 | 95.2 Ų | 95.2 | 75% | 0.752 | 50% | 0.498 | S | S | * | . | trans | -144.8 | 84 | 172 | -80.1 | -157.6 | 172 | -162.8 | 0 | 113.4 | ||||
| 709 | E | 23.6 | Very low | 34 | Very low | 161 Ų | 161 | 103.9 Ų | 103.9 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -136 | -34.6 | 155.2 | -67.1 | -160 | 128.4 | 0 | 0 | 111.4 | N711 | E709-N711 PolarHBondContact O-N 3.24Š|
| 710 | D | 22.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 105 Ų | 105 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -83.8 | 94.8 | 173.6 | -51.1 | -62.5 | 0 | 0 | 0 | 112.6 | ||
| 711 | N | 24.7 | Very low | 29.8 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 83% | 0.829 | 59% | 0.592 | S | S | * | * | trans | 164.9 | 70.2 | 144.3 | -87.6 | -34.6 | 0 | 0 | 0 | 112.5 | E709 | E709-N711 PolarHBondContact O-N 3.24Š| ||
| 712 | D | 22.8 | Very low | 27.6 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 79% | 0.786 | 61% | 0.607 | S | S | * | * | trans | -95.8 | 73.4 | 158 | -88 | -35.8 | 0 | 0 | 0 | 109.1 | ||||
| 713 | L | 21.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | trans | -145.2 | 110 | 171.7 | -165 | 73.5 | 0 | 0 | 0 | 113.2 | ||||
| 714 | S | 21.2 | Very low | 24.9 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | 56.4 | 130.3 | 160.9 | 60.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 715 | T | 22 | Very low | 24.1 | Very low | 63 Ų | 63 | 127.4 Ų | 127.4 | 39% | 0.387 | 67% | 0.671 | S | S | . | * | trans | -57.2 | 163.1 | 157 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 716 | T | 21.2 | Very low | 23.4 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 59% | 0.589 | 69% | 0.691 | S | S | * | * | trans | 81.3 | 136.8 | -177.7 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | N167 | N167-T716 HydrophobicContact CB-CG2 4.48Š| ||
| 717 | T | 21.4 | Very low | 22.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | cis | -131.7 | 149.9 | 6.8 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 718 | N | 21.4 | Very low | 22.5 | Very low | 97 Ų | 97 | 136 Ų | 136 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | trans | -69.3 | 138.8 | 161.5 | -76.4 | -10.8 | 0 | 0 | 0 | 110.4 | ||||
| 719 | Q | 21.7 | Very low | 22.3 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -146.1 | 128.4 | 151 | -112.7 | 176.8 | 11.8 | 0 | 0 | 110.8 | ||||
| 720 | T | 21.8 | Very low | 22.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | trans | -53.1 | 149.5 | -174.9 | 53 | 0 | 0 | 0 | 0 | 116.3 | E103 | E103-T720 WeakPolarHBondContact OE2-CG2 3.41Š| ||
| 721 | L | 23.9 | Very low | 22.4 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | -154.3 | 160.4 | 128.8 | -113.9 | 159.4 | 0 | 0 | 0 | 111.6 | |||||
| 722 | N | 20.9 | Very low | 22.4 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | trans | -115.1 | 168.3 | -155.8 | -113 | -53.4 | 0 | 0 | 0 | 114.3 | ||||
| 723 | K | 22.4 | Very low | 22.6 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 82% | 0.817 | 69% | 0.694 | S | S | * | * | trans | -39.7 | 138.3 | 176.4 | -54.4 | 158.5 | -176.5 | 165.3 | 0 | 115.5 | ||||
| 724 | T | 21.6 | Very low | 22.9 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | trans | -142.3 | 156.3 | 136.3 | 35.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 725 | K | 22.8 | Very low | 23.3 | Very low | 196 Ų | 196 | 125.8 Ų | 125.8 | 85% | 0.852 | 67% | 0.666 | S | S | * | * | trans | -97.4 | 148.3 | 173.9 | -61.3 | 175.7 | 177.7 | 179.8 | 0 | 109.5 | ||||
| 726 | H | 21.9 | Very low | 23.7 | Very low | 196 Ų | 196 | 126 Ų | 126 | 91% | 0.907 | 67% | 0.665 | S | S | * | * | trans | -177.2 | 164.1 | 131.1 | -96.5 | -67.5 | 0 | 0 | 0 | 109.7 | ||||
| 727 | G | 21.9 | Very low | 24.2 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | trans | -75.4 | -178.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 728 | T | 22.3 | Very low | 24.6 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | cis | -149 | -179.5 | 22.7 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 729 | N | 24.3 | Very low | 24.9 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | trans | 53.5 | 103.6 | 158.4 | -63.3 | -3.4 | 0 | 0 | 0 | 119.4 | ||||
| 730 | F | 23.6 | Very low | 25.2 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -128 | 100.8 | 168.3 | -99.8 | -98 | 0 | 0 | 0 | 110.7 | G317 | G317-F730 VanDerWaalsContact N-CE1 3.34Š| ||
| 731 | N | 25.4 | Very low | 25.3 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | trans | -155.8 | 48.8 | 179 | -133.7 | -13.2 | 0 | 0 | 0 | 114.9 | ||||
| 732 | S | 25.1 | Very low | 25.4 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | trans | -149.1 | 27 | -167.2 | 51.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 733 | Y | 27.5 | Very low | 25.6 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 42% | 0.42 | 63% | 0.629 | S | S | . | * | trans | -124.2 | 13.3 | -179.4 | -92.2 | -23.1 | 0 | 0 | 0 | 117.8 | S316 T735 | S316-Y733 VanDerWaalsContact CB-CE2 3.44Å; S316-Y733 VanDerWaalsContact CB-CZ 3.44Å; S316-Y733 PolarHBondContact O-OH 3.15Å; S316-Y733 VanDerWaalsContact O-OH 3.14Å; S316-Y733 PolarHBondContact OG-OH 3.09Å; Y733-T735 VanDerWaalsContact C-N 3.34Å; Y733-T735 PolarHBondContact O-N 2.83Å | ||
| 734 | K | 27.1 | Very low | 25.6 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -2.3 | -169.1 | -144.9 | 169.1 | -178.2 | 179.7 | 0 | 116.4 | N745 N746 | K734-N745 PolarHBondContact NZ-O 2.82Å; K734-N746 WeakPolarHBondContact CE-OD1 3.32Å; K734-N746 PolarHBondContact NZ-OD1 3.14Å |
| 735 | T | 29.5 | Very low | 25.7 | Very low | 53 Ų | 53 | 112.6 Ų | 112.6 | 33% | 0.325 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | -14.5 | -169.1 | -35.5 | 0 | 0 | 0 | 0 | 114.4 | Q363 Y733 V737 K738 | Q363-T735 HydrophobicContact CG-CG2 4.48Å; Y733-T735 VanDerWaalsContact C-N 3.34Å; Y733-T735 PolarHBondContact O-N 2.83Å; T735-V737 PolarHBondContact O-N 3.12Å; T735-K738 HydrophobicContact CG2-CD 4.02Å |
| 736 | L | 30.7 | Very low | 25.7 | Very low | 67 Ų | 67 | 107.9 Ų | 107.9 | 35% | 0.351 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -76.8 | 3.7 | -178.3 | -108.2 | 160 | 0 | 0 | 0 | 114.7 | H356 L360 | H356-L736 VanDerWaalsContact NE2-CD2 3.3Å; H356-L736 WeakPolarHBondContact NE2-CD2 3.42Å; L360-L736 HydrophobicContact CD2-CD1 4.1Å; L360-L736 HydrophobicContact CD2-CD2 3.91Å; L360-L736 HydrophobicContact CD2-CG 4.23Å; L360-L736 HydrophobicContact CG-CD2 4.39Å |
| 737 | V | 31.3 | Very low | 25.8 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | trans | -131.1 | 60.2 | -178.9 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | T735 | T735-V737 PolarHBondContact O-N 3.12Š| ||
| 738 | K | 28.5 | Very low | 25.8 | Very low | 143 Ų | 143 | 107.5 Ų | 107.5 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | trans | -116.1 | 13.5 | -175 | -96.9 | -172 | 176.9 | -179 | 0 | 116 | T735 | T735-K738 HydrophobicContact CG2-CD 4.02Š| ||
| 739 | F | 29.7 | Very low | 25.8 | Very low | 125 Ų | 125 | 106.3 Ų | 106.3 | 55% | 0.548 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -118.2 | 14.2 | 173.7 | -81 | -70.3 | 0 | 0 | 0 | 114.7 | K355 | K355-F739 HydrophobicContact CB-CE2 4.06Å; K355-F739 HydrophobicContact CB-CZ 3.96Å; K355-F739 HydrophobicContact CD-CE1 4.27Å; K355-F739 HydrophobicContact CD-CZ 3.88Å; K355-F739 HydrophobicContact CG-CZ 4.49Å |
| 740 | S | 26.4 | Very low | 25.6 | Very low | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -104.5 | 128.3 | 155.5 | 50.9 | 0 | 0 | 0 | 0 | 108.3 | E742 | S740-E742 PolarHBondContact O-N 2.87Š|
| 741 | N | 24.7 | Very low | 25.7 | Very low | 153 Ų | 153 | 102.4 Ų | 102.4 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -71.5 | 84.5 | -172.5 | -71.8 | -15.3 | 0 | 0 | 0 | 112.9 | N765 | N741-N765 PolarHBondContact O-ND2 2.97Š| ||
| 742 | E | 25.8 | Very low | 25.5 | Very low | 101 Ų | 101 | 103.4 Ų | 103.4 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | trans | -138.6 | 135.2 | 175.1 | -133.6 | 161.5 | -92 | 0 | 0 | 109.8 | S740 N765 | S740-E742 PolarHBondContact O-N 2.87Å; E742-N765 VanDerWaalsContact CG-ND2 3.34Å; E742-N765 WeakPolarHBondContact CG-ND2 3.31Å; E742-N765 PolarHBondContact OE1-ND2 2.98Å | ||
| 743 | P | 23.9 | Very low | 25.3 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | trans | -80.7 | 163.9 | -168.9 | 32 | -36.3 | 0 | 0 | 0 | 114.2 | ||||
| 744 | V | 22.7 | Very low | 25.2 | Very low | 100 Ų | 100 | 108.7 Ų | 108.7 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | trans | -66.2 | 137.8 | -178.9 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 745 | N | 24.2 | Very low | 25 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 31% | 0.31 | 61% | 0.609 | S | S | . | * | trans | -141 | 128.6 | 153.5 | -132.3 | 50.1 | 0 | 0 | 0 | 107.6 | K734 T2506 | K734-N745 PolarHBondContact NZ-O 2.82Å; N745-T2506 PolarHBondContact OD1-O 3.4Å; N745-T2506 PolarHBondContact OD1-OG1 2.78Å | ||
| 746 | N | 23.4 | Very low | 24.9 | Very low | 97 Ų | 97 | 110 Ų | 110 | 52% | 0.519 | 61% | 0.613 | S | S | . | * | trans | -122.5 | 139.3 | -173.7 | -96.8 | 2 | 0 | 0 | 0 | 112.6 | K734 | K734-N746 WeakPolarHBondContact CE-OD1 3.32Å; K734-N746 PolarHBondContact NZ-OD1 3.14Å | ||
| 747 | N | 23.4 | Very low | 24.7 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | trans | 50.6 | 103.2 | 153.6 | -55 | 11.8 | 0 | 0 | 0 | 118.4 | ||||
| 748 | D | 22.4 | Very low | 24.6 | Very low | 153 Ų | 153 | 113.1 Ų | 113.1 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | -132 | 155.1 | 119.6 | -86.4 | -52.1 | 0 | 0 | 0 | 108.1 | |||||
| 749 | S | 21.1 | Very low | 25 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 67% | 0.671 | 64% | 0.644 | S | S | * | * | trans | -157 | 78.6 | -168.5 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 750 | S | 21.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 115 Ų | 115 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -160.5 | 68.4 | 172.4 | 58.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 751 | T | 25 | Very low | 26.2 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | trans | -154.8 | 158.8 | 149.9 | 25 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 752 | N | 21 | Very low | 27.2 | Very low | 149 Ų | 149 | 107.8 Ų | 107.8 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | trans | -111.5 | 144.9 | -164 | -98 | -60.7 | 0 | 0 | 0 | 114.8 | ||||
| 753 | N | 22.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 104.3 Ų | 104.3 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | trans | 53.5 | 94.8 | 156.7 | -67.6 | -44.8 | 0 | 0 | 0 | 118.6 | ||||
| 754 | N | 25 | Very low | 30 | Very low | 148 Ų | 148 | 104.1 Ų | 104.1 | 79% | 0.791 | 58% | 0.582 | S | S | * | * | trans | -142.9 | 140.4 | 132.8 | -102.1 | -44 | 0 | 0 | 0 | 111.8 | ||||
| 755 | N | 23.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 102.1 Ų | 102.1 | 80% | 0.797 | 57% | 0.568 | S | S | * | * | trans | -104 | 164.9 | -174.8 | -110.9 | -48 | 0 | 0 | 0 | 111.5 | ||||
| 756 | S | 26.1 | Very low | 33.3 | Very low | 61 Ų | 61 | 100.1 Ų | 100.1 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | trans | 63.7 | 52 | 165.7 | 60.6 | 0 | 0 | 0 | 0 | 118.1 | C758 | S756-C758 PolarHBondContact O-N 2.62Š| ||
| 757 | N | 26.2 | Very low | 35.2 | Very low | 138 Ų | 138 | 99.6 Ų | 99.6 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | trans | -65.3 | 121.8 | 146.8 | -92.2 | -12.3 | 0 | 0 | 0 | 108.8 | R759 | N757-R759 PolarHBondContact O-N 2.93Å; N757-R759 VanDerWaalsContact O-N 3.1Å | ||
| 758 | C | 30.5 | Very low | 37.1 | Very low | 85 Ų | 85 | 97.1 Ų | 97.1 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | trans | -58.7 | 115.1 | 175.8 | -65.7 | 0 | 0 | 0 | 0 | 108.8 | S756 N760 | S756-C758 PolarHBondContact O-N 2.62Å; C758-N760 PolarHBondContact O-N 3.23Å | ||
| 759 | R | 36.3 | Very low | 39.3 | Very low | 222 Ų | 222 | 91.2 Ų | 91.2 | 84% | 0.838 | 51% | 0.506 | S | S | * | . | trans | -67.2 | 106.9 | -172.3 | -73.1 | -179.6 | 175.7 | 163 | -0.4 | 110.4 | N757 | N757-R759 PolarHBondContact O-N 2.93Å; N757-R759 VanDerWaalsContact O-N 3.1Å | ||
| 760 | N | 39.3 | Very low | 41.5 | Very low | 87 Ų | 87 | 87.1 Ų | 87.1 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | trans | -53.3 | 122.4 | 163.3 | -158.6 | 7.7 | 0 | 0 | 0 | 107.5 | C758 F762 E767 | C758-N760 PolarHBondContact O-N 3.23Å; N760-F762 PolarHBondContact O-N 2.84Å; N760-F762 VanDerWaalsContact O-N 3.1Å; N760-E767 PolarHBondContact ND2-OE1 2.81Å | ||
| 761 | P | 42.1 | Very low | 43.5 | Very low | 41 Ų | 41 | 84 Ų | 84 | 27% | 0.266 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -74.3 | 0.2 | -169.1 | 26.9 | -33.9 | 0 | 0 | 0 | 114.3 | R703 | R703-P761 WeakPolarHBondContact CB-O 3.1Å; R703-P761 PolarHBondContact N-O 2.79Å |
| 762 | F | 44.7 | Very low | 45.4 | Very low | 13 Ų | 13 | 79.5 Ų | 79.5 | 6% | 0.057 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -119.5 | 157.9 | -177.4 | -56 | -63.8 | 0 | 0 | 0 | 111.2 | L700 N760 Q766 E767 A787 T790 V791 | L700-F762 HydrophobicContact CD1-CD1 4.14Å; L700-F762 HydrophobicContact CD1-CE1 4.24Å; N760-F762 PolarHBondContact O-N 2.84Å; N760-F762 VanDerWaalsContact O-N 3.1Å; F762-Q766 VanDerWaalsContact CA-OE1 3.24Å; F762-Q766 HydrophobicContact CB-CB 3.97Å; F762-Q766 HydrophobicContact CD1-CB 4.44Å; F762-E767 HydrophobicContact CB-CG 4.48Å; F762-A787 HydrophobicContact CE1-CB 4.49Å; F762-T790 VanDerWaalsContact CZ-OG1 3.28Å; F762-T790 WeakPolarHBondContact CZ-OG1 3.22Å; F762-V791 HydrophobicContact CE1-CG2 4.19Å; F762-V791 HydrophobicContact CE2-CG2 3.81Å; F762-V791 HydrophobicContact CZ-CB 4.48Å; F762-V791 HydrophobicContact CZ-CG2 3.44Å; F762-V791 VanDerWaalsContact CZ-CG2 3.44Å |
| 763 | S | 54.5 | Low | 47.7 | Very low | 28 Ų | 28 | 72.6 Ų | 72.6 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | trans | -91.8 | 169.3 | 166.2 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | N765 Q766 E767 | S763-N765 VanDerWaalsContact C-N 3.29Å; S763-N765 PolarHBondContact O-N 3.07Å; S763-Q766 VanDerWaalsContact N-OE1 3.12Å; S763-Q766 WeakPolarHBondContact O-CA 3.32Å; S763-Q766 WeakPolarHBondContact O-CB 3.19Å; S763-Q766 PolarHBondContact O-N 3.32Å; S763-E767 PolarHBondContact O-N 3.02Å; S763-E767 VanDerWaalsContact O-N 3.13Å | ||
| 764 | V | 54.8 | Low | 49.7 | Very low | 92 Ų | 92 | 70.8 Ų | 70.8 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.3 | -44.1 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | Q766 E767 E768 | V764-Q766 PolarHBondContact O-N 2.93Å; V764-E767 PolarHBondContact O-N 3.34Å; V764-E768 PolarHBondContact O-N 3.26Å |
| 765 | N | 54.7 | Low | 51.3 | Low | 58 Ų | 58 | 69.7 Ų | 69.7 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.5 | -34.1 | 171.2 | -88.6 | -46.8 | 0 | 0 | 0 | 114.3 | N741 E742 S763 T769 | N741-N765 PolarHBondContact O-ND2 2.97Å; E742-N765 VanDerWaalsContact CG-ND2 3.34Å; E742-N765 WeakPolarHBondContact CG-ND2 3.31Å; E742-N765 PolarHBondContact OE1-ND2 2.98Å; S763-N765 VanDerWaalsContact C-N 3.29Å; S763-N765 PolarHBondContact O-N 3.07Å; N765-T769 WeakPolarHBondContact O-CB 3.43Å; N765-T769 PolarHBondContact O-N 3.17Å; N765-T769 PolarHBondContact O-OG1 2.9Å |
| 766 | Q | 62.1 | Low | 53.1 | Low | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -81.3 | -34.5 | -177.2 | -69.8 | -177.7 | -35.9 | 0 | 0 | 111.6 | L700 F701 F762 S763 V764 E768 T769 I770 | L700-Q766 HydrophobicContact CD1-CB 3.89Å; L700-Q766 HydrophobicContact CD1-CG 4.21Å; F701-Q766 PolarHBondContact O-NE2 2.87Å; F762-Q766 VanDerWaalsContact CA-OE1 3.24Å; F762-Q766 HydrophobicContact CB-CB 3.97Å; F762-Q766 HydrophobicContact CD1-CB 4.44Å; S763-Q766 VanDerWaalsContact N-OE1 3.12Å; S763-Q766 WeakPolarHBondContact O-CA 3.32Å; S763-Q766 WeakPolarHBondContact O-CB 3.19Å; S763-Q766 PolarHBondContact O-N 3.32Å; V764-Q766 PolarHBondContact O-N 2.93Å; Q766-E768 VanDerWaalsContact C-N 3.35Å; Q766-T769 WeakPolarHBondContact O-CB 3.27Å; Q766-T769 PolarHBondContact O-N 3.4Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.41Å |
| 767 | E | 62.8 | Low | 54.7 | Low | 86 Ų | 86 | 61.6 Ų | 61.6 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 167 | -65.5 | -169.8 | 159.6 | 0 | 0 | 111.2 | N760 F762 S763 V764 T769 I770 T771 | N760-E767 PolarHBondContact ND2-OE1 2.81Å; F762-E767 HydrophobicContact CB-CG 4.48Å; S763-E767 PolarHBondContact O-N 3.02Å; S763-E767 VanDerWaalsContact O-N 3.13Å; V764-E767 PolarHBondContact O-N 3.34Å; E767-T769 VanDerWaalsContact C-N 3.33Å; E767-T769 PolarHBondContact O-N 2.83Å; E767-I770 WeakPolarHBondContact O-CB 3.41Å; E767-I770 PolarHBondContact O-N 3.35Å; E767-I770 VanDerWaalsContact O-N 3.11Å; E767-T771 PolarHBondContact O-N 2.92Å |
| 768 | E | 64 | Low | 56.7 | Low | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 171.8 | 179.4 | 160.4 | -169.3 | 0 | 0 | 112.8 | V764 Q766 I770 T771 N772 R2589 | V764-E768 PolarHBondContact O-N 3.26Å; Q766-E768 VanDerWaalsContact C-N 3.35Å; E768-I770 VanDerWaalsContact C-N 3.31Å; E768-I770 PolarHBondContact O-N 2.92Å; E768-T771 WeakPolarHBondContact CA-OG1 3.2Å; E768-T771 PolarHBondContact O-N 3.47Å; E768-T771 PolarHBondContact O-OG1 3.15Å; E768-T771 VanDerWaalsContact O-OG1 3.04Å; E768-N772 WeakPolarHBondContact CG-ND2 3.49Å; E768-N772 VanDerWaalsContact O-CB 3.3Å; E768-N772 WeakPolarHBondContact O-CB 3.21Å; E768-N772 VanDerWaalsContact O-CG 3.28Å; E768-N772 PolarHBondContact O-N 2.97Å; E768-N772 PolarHBondContact O-ND2 2.93Å; E768-R2589 IonicContact OE1-CZ 3.38Å; E768-R2589 IonicContact OE1-NH2 3.01Å; E768-R2589 PolarHBondContact OE1-NH2 2.89Å; E768-R2589 IonicContact OE2-CZ 3.62Å; E768-R2589 IonicContact OE2-NH2 3.23Å; E768-R2589 PolarHBondContact OE2-NH2 3.49Å |
| 769 | T | 67.1 | Low | 58.4 | Low | 30 Ų | 30 | 53.2 Ų | 53.2 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | N765 Q766 E767 F773 I778 L781 | N765-T769 WeakPolarHBondContact O-CB 3.43Å; N765-T769 PolarHBondContact O-N 3.17Å; N765-T769 PolarHBondContact O-OG1 2.9Å; Q766-T769 WeakPolarHBondContact O-CB 3.27Å; Q766-T769 PolarHBondContact O-N 3.4Å; E767-T769 VanDerWaalsContact C-N 3.33Å; E767-T769 PolarHBondContact O-N 2.83Å; T769-F773 WeakPolarHBondContact O-CB 3.33Å; T769-F773 PolarHBondContact O-N 3.05Å; T769-I778 HydrophobicContact CG2-CD1 3.96Å; T769-L781 HydrophobicContact CG2-CD1 4.16Å |
| 770 | I | 68 | Low | 60.1 | Low | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 176.2 | -67.2 | 163.9 | 0 | 0 | 0 | 111.5 | L700 Q766 E767 E768 F773 R774 V791 L798 | L700-I770 HydrophobicContact CD1-CD1 4.29Å; L700-I770 HydrophobicContact CD1-CG1 4.42Å; L700-I770 HydrophobicContact CD2-CD1 4.09Å; L700-I770 HydrophobicContact CD2-CG1 4.1Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.41Å; E767-I770 WeakPolarHBondContact O-CB 3.41Å; E767-I770 PolarHBondContact O-N 3.35Å; E767-I770 VanDerWaalsContact O-N 3.11Å; E768-I770 VanDerWaalsContact C-N 3.31Å; E768-I770 PolarHBondContact O-N 2.92Å; I770-F773 PolarHBondContact O-N 3.42Å; I770-R774 WeakPolarHBondContact O-CG 3.4Å; I770-R774 PolarHBondContact O-N 3.44Å; I770-V791 HydrophobicContact CD1-CG2 3.8Å; I770-L798 HydrophobicContact CG2-CD2 4.2Å |
| 771 | T | 63.7 | Low | 61.9 | Low | 50 Ų | 50 | 39.2 Ų | 39.2 | 31% | 0.307 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.4 | -37.6 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | E767 E768 F773 R774 R775 | E767-T771 PolarHBondContact O-N 2.92Å; E768-T771 WeakPolarHBondContact CA-OG1 3.2Å; E768-T771 PolarHBondContact O-N 3.47Å; E768-T771 PolarHBondContact O-OG1 3.15Å; E768-T771 VanDerWaalsContact O-OG1 3.04Å; T771-F773 VanDerWaalsContact C-N 3.35Å; T771-R774 WeakPolarHBondContact O-CB 3.3Å; T771-R774 PolarHBondContact O-N 3.16Å; T771-R775 WeakPolarHBondContact O-CB 3.35Å; T771-R775 WeakPolarHBondContact O-CD 3.3Å; T771-R775 VanDerWaalsContact O-CG 3.28Å; T771-R775 WeakPolarHBondContact O-CG 3.11Å; T771-R775 PolarHBondContact O-N 3.48Å |
| 772 | N | 63.5 | Low | 63.5 | Low | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -31.6 | 175.2 | -71.2 | -26.4 | 0 | 0 | 0 | 112.4 | E768 R775 G776 A777 I778 | E768-N772 WeakPolarHBondContact CG-ND2 3.49Å; E768-N772 VanDerWaalsContact O-CB 3.3Å; E768-N772 WeakPolarHBondContact O-CB 3.21Å; E768-N772 VanDerWaalsContact O-CG 3.28Å; E768-N772 PolarHBondContact O-N 2.97Å; E768-N772 PolarHBondContact O-ND2 2.93Å; N772-R775 PolarHBondContact OD1-NH1 3.33Å; N772-G776 PolarHBondContact O-N 3.5Å; N772-A777 HydrophobicContact CB-CB 4.23Å; N772-A777 PolarHBondContact O-N 3.47Å; N772-I778 HydrophobicContact CB-CD1 3.95Å; N772-I778 HydrophobicContact CB-CG1 4.24Å; N772-I778 PolarHBondContact O-N 3.15Å; N772-I778 VanDerWaalsContact O-N 3.15Å |
| 773 | F | 70.3 | Confident | 65 | Low | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 167.7 | -172.5 | -117.1 | 0 | 0 | 0 | 112.5 | T769 I770 T771 R775 G776 I778 L781 L798 P799 | T769-F773 WeakPolarHBondContact O-CB 3.33Å; T769-F773 PolarHBondContact O-N 3.05Å; I770-F773 PolarHBondContact O-N 3.42Å; T771-F773 VanDerWaalsContact C-N 3.35Å; F773-R775 VanDerWaalsContact C-N 3.34Å; F773-R775 PolarHBondContact O-N 2.88Å; F773-G776 PolarHBondContact O-N 3.01Å; F773-G776 VanDerWaalsContact O-N 3.08Å; F773-I778 HydrophobicContact CB-CB 4.35Å; F773-I778 HydrophobicContact CD2-CB 4.22Å; F773-I778 HydrophobicContact CD2-CG2 3.95Å; F773-I778 WeakPolarHBondContact CD2-O 3.33Å; F773-L781 HydrophobicContact CD1-CD2 3.9Å; F773-L781 HydrophobicContact CD2-CB 3.88Å; F773-L781 HydrophobicContact CE1-CB 4.37Å; F773-L781 HydrophobicContact CE1-CD2 4.06Å; F773-L781 HydrophobicContact CE2-CB 3.67Å; F773-L781 HydrophobicContact CG-CB 4.34Å; F773-L781 HydrophobicContact CG-CD2 4.15Å; F773-L781 HydrophobicContact CZ-CB 3.93Å; F773-L781 HydrophobicContact CZ-CD2 4.45Å; F773-L798 HydrophobicContact CD1-CD2 3.82Å; F773-L798 HydrophobicContact CE1-CD2 4.17Å; F773-P799 HydrophobicContact CD1-CG 3.6Å; F773-P799 HydrophobicContact CE1-CG 3.53Å; F773-P799 HydrophobicContact CG-CG 4.44Å; F773-P799 HydrophobicContact CZ-CG 4.33Å |
| 774 | R | 64.4 | Low | 65.9 | Low | 100 Ų | 100 | 35.6 Ų | 35.6 | 38% | 0.377 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 173.1 | -76.4 | 172.7 | 174 | 161.4 | -0.8 | 112.9 | I770 T771 G776 E797 | I770-R774 WeakPolarHBondContact O-CG 3.4Å; I770-R774 PolarHBondContact O-N 3.44Å; T771-R774 WeakPolarHBondContact O-CB 3.3Å; T771-R774 PolarHBondContact O-N 3.16Å; R774-G776 PolarHBondContact O-N 3.23Å; R774-E797 VanDerWaalsContact CZ-O 3.3Å; R774-E797 PolarHBondContact NE-O 3.27Å; R774-E797 PolarHBondContact NH2-O 3.37Å |
| 775 | R | 59.7 | Low | 66.6 | Low | 124 Ų | 124 | 32.6 Ų | 32.6 | 47% | 0.468 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.9 | 176.7 | -71.2 | 161.7 | 167.9 | 178.7 | -15.3 | 113.4 | R662 T771 N772 F773 A777 D2587 | R662-R775 PolarHBondContact NH1-O 3.37Å; T771-R775 WeakPolarHBondContact O-CB 3.35Å; T771-R775 WeakPolarHBondContact O-CD 3.3Å; T771-R775 VanDerWaalsContact O-CG 3.28Å; T771-R775 WeakPolarHBondContact O-CG 3.11Å; T771-R775 PolarHBondContact O-N 3.48Å; N772-R775 PolarHBondContact OD1-NH1 3.33Å; F773-R775 VanDerWaalsContact C-N 3.34Å; F773-R775 PolarHBondContact O-N 2.88Å; R775-A777 PolarHBondContact O-N 3.38Å; R775-D2587 PolarHBondContact NH1-O 2.9Å |
| 776 | G | 59.8 | Low | 67 | Low | 15 Ų | 15 | 31.9 Ų | 31.9 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 29.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N772 F773 R774 I778 | N772-G776 PolarHBondContact O-N 3.5Å; F773-G776 PolarHBondContact O-N 3.01Å; F773-G776 VanDerWaalsContact O-N 3.08Å; R774-G776 PolarHBondContact O-N 3.23Å; G776-I778 VanDerWaalsContact C-N 3.29Å |
| 777 | A | 60.4 | Low | 67.2 | Low | 26 Ų | 26 | 31 Ų | 31 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -79.4 | -19 | 163 | 0 | 0 | 0 | 0 | 0 | 111.3 | K696 N772 R775 | K696-A777 VanDerWaalsContact CB-O 3.22Å; K696-A777 WeakPolarHBondContact CB-O 3.48Å; K696-A777 WeakPolarHBondContact CD-O 3.41Å; N772-A777 HydrophobicContact CB-CB 4.23Å; N772-A777 PolarHBondContact O-N 3.47Å; R775-A777 PolarHBondContact O-N 3.38Å |
| 778 | I | 67 | Low | 67.4 | Low | 20 Ų | 20 | 27 Ų | 27 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | trans | -116.7 | 129.7 | 165.3 | -63.1 | 169.5 | 0 | 0 | 0 | 107 | K696 G698 T769 N772 F773 G776 L780 | K696-I778 WeakPolarHBondContact O-CG2 3.18Å; G698-I778 VanDerWaalsContact N-CG2 3.34Å; T769-I778 HydrophobicContact CG2-CD1 3.96Å; N772-I778 HydrophobicContact CB-CD1 3.95Å; N772-I778 HydrophobicContact CB-CG1 4.24Å; N772-I778 PolarHBondContact O-N 3.15Å; N772-I778 VanDerWaalsContact O-N 3.15Å; F773-I778 HydrophobicContact CB-CB 4.35Å; F773-I778 HydrophobicContact CD2-CB 4.22Å; F773-I778 HydrophobicContact CD2-CG2 3.95Å; F773-I778 WeakPolarHBondContact CD2-O 3.33Å; G776-I778 VanDerWaalsContact C-N 3.29Å; I778-L780 WeakPolarHBondContact CG2-O 3.39Å | ||
| 779 | N | 66.9 | Low | 67.2 | Low | 27 Ų | 27 | 26 Ų | 26 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -105.4 | -23.2 | -176.2 | -71.7 | -41 | 0 | 0 | 0 | 112.8 | C664 G665 F694 K696 | C664-N779 WeakPolarHBondContact CA-O 3.42Å; G665-N779 PolarHBondContact N-O 2.94Å; F694-N779 PolarHBondContact O-ND2 3.17Å; K696-N779 PolarHBondContact O-N 3.49Å |
| 780 | L | 72.8 | Confident | 66.9 | Low | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.073 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.7 | 177.6 | -174.8 | 63.2 | 0 | 0 | 0 | 109.5 | I667 I682 I695 K696 I697 G698 I778 | I667-L780 HydrophobicContact CD1-CD1 4.04Å; I667-L780 HydrophobicContact CD1-CD2 4.19Å; I667-L780 HydrophobicContact CD1-CG 4.36Å; I667-L780 HydrophobicContact CG1-CD1 4.02Å; I682-L780 HydrophobicContact CD1-CD2 4.27Å; I682-L780 HydrophobicContact CG2-CD2 4.39Å; I695-L780 HydrophobicContact CG2-CB 3.87Å; I695-L780 HydrophobicContact CG2-CD2 4.15Å; K696-L780 PolarHBondContact O-N 2.79Å; I697-L780 WeakPolarHBondContact CA-O 3.33Å; I697-L780 HydrophobicContact CD1-CD2 4.29Å; I697-L780 HydrophobicContact CG1-CB 4.45Å; G698-L780 PolarHBondContact N-O 2.96Å; G698-L780 VanDerWaalsContact N-O 3.09Å; I778-L780 WeakPolarHBondContact CG2-O 3.39Å |
| 781 | L | 76.1 | Confident | 66.6 | Low | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.8 | 178.7 | -175.4 | 66.9 | 0 | 0 | 0 | 110.2 | G665 L666 I667 L700 T769 F773 A783 L798 | G665-L781 PolarHBondContact O-N 3.32Å; L666-L781 HydrophobicContact CD1-CB 3.86Å; L666-L781 HydrophobicContact CD1-CD2 3.88Å; L666-L781 HydrophobicContact CD1-CG 4.09Å; I667-L781 PolarHBondContact N-O 3.38Å; L700-L781 HydrophobicContact CB-CD1 4.27Å; T769-L781 HydrophobicContact CG2-CD1 4.16Å; F773-L781 HydrophobicContact CD1-CD2 3.9Å; F773-L781 HydrophobicContact CD2-CB 3.88Å; F773-L781 HydrophobicContact CE1-CB 4.37Å; F773-L781 HydrophobicContact CE1-CD2 4.06Å; F773-L781 HydrophobicContact CE2-CB 3.67Å; F773-L781 HydrophobicContact CG-CB 4.34Å; F773-L781 HydrophobicContact CG-CD2 4.15Å; F773-L781 HydrophobicContact CZ-CB 3.93Å; F773-L781 HydrophobicContact CZ-CD2 4.45Å; L781-A783 HydrophobicContact CG-CB 4.34Å; L781-L798 HydrophobicContact CD2-CD2 4.44Å |
| 782 | V | 76.1 | Confident | 66.1 | Low | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 104.1 | 176 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | I667 V669 A675 L678 I697 G698 H699 L700 | I667-V782 HydrophobicContact CB-CG2 4.44Å; I667-V782 HydrophobicContact CD1-CG2 4.36Å; V669-V782 HydrophobicContact CG2-CG1 3.63Å; A675-V782 HydrophobicContact CB-CG1 4.14Å; A675-V782 WeakPolarHBondContact O-CG1 3.21Å; L678-V782 HydrophobicContact CB-CG1 4.28Å; L678-V782 HydrophobicContact CD2-CG1 4.18Å; L678-V782 HydrophobicContact CG-CG1 4.41Å; I697-V782 HydrophobicContact CG2-CG2 3.96Å; G698-V782 PolarHBondContact O-N 2.95Å; H699-V782 WeakPolarHBondContact CA-O 3.36Å; L700-V782 PolarHBondContact N-O 3.07Å |
| 783 | A | 76.4 | Confident | 65.5 | Low | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I667 L668 V669 L700 L781 I788 | I667-A783 PolarHBondContact O-N 3.06Å; L668-A783 WeakPolarHBondContact CA-O 3.32Å; V669-A783 PolarHBondContact N-O 3.07Å; L700-A783 HydrophobicContact CB-CB 4.02Å; L700-A783 CarbonylContact O-C 3.58Å; L700-A783 VanDerWaalsContact O-CA 3.26Å; L700-A783 WeakPolarHBondContact O-CA 3.18Å; L781-A783 HydrophobicContact CG-CB 4.34Å; A783-I788 HydrophobicContact CB-CD1 3.54Å; A783-I788 HydrophobicContact CB-CG1 3.88Å |
| 784 | T | 74.3 | Confident | 64.5 | Low | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.3 | 172.4 | 74.5 | 0 | 0 | 0 | 0 | 110.6 | V669 Q672 A675 L700 F701 A786 A787 I788 | V669-T784 VanDerWaalsContact O-CA 3.26Å; V669-T784 WeakPolarHBondContact O-CA 3.2Å; Q672-T784 HydrophobicContact CB-CG2 4.32Å; A675-T784 HydrophobicContact CB-CG2 4.16Å; L700-T784 PolarHBondContact O-N 3.31Å; F701-T784 HydrophobicContact CB-CG2 3.93Å; T784-A786 PolarHBondContact O-N 2.67Å; T784-A787 WeakPolarHBondContact O-CB 3.36Å; T784-A787 PolarHBondContact O-N 2.84Å; T784-A787 VanDerWaalsContact OG1-CB 3.3Å; T784-A787 WeakPolarHBondContact OG1-CB 3.46Å; T784-A787 PolarHBondContact OG1-N 3.07Å; T784-I788 PolarHBondContact O-N 3.47Å; T784-I788 VanDerWaalsContact O-N 3.1Å |
| 785 | Q | 68.4 | Low | 63.9 | Low | 28 Ų | 28 | 24.2 Ų | 24.2 | 13% | 0.131 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -35.6 | -178.7 | -175.1 | 65.1 | -5.5 | 0 | 0 | 112 | V669 S789 E815 | V669-Q785 PolarHBondContact O-N 2.91Å; V669-Q785 VanDerWaalsContact O-N 3.14Å; Q785-S789 PolarHBondContact O-N 2.97Å; Q785-S789 VanDerWaalsContact O-N 3.12Å; Q785-E815 HydrophobicContact CG-CB 4.2Å; Q785-E815 HydrophobicContact CG-CG 3.99Å; Q785-E815 PolarHBondContact NE2-O 3.03Å |
| 786 | A | 64.2 | Low | 63.6 | Low | 43 Ų | 43 | 20 Ų | 20 | 36% | 0.355 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65 | -40.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | T784 S789 T790 | T784-A786 PolarHBondContact O-N 2.67Å; A786-S789 WeakPolarHBondContact O-CB 3.4Å; A786-S789 PolarHBondContact O-N 2.94Å; A786-T790 PolarHBondContact O-N 3.35Å; A786-T790 PolarHBondContact O-OG1 3.24Å |
| 787 | A | 66.4 | Low | 63.4 | Low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L700 C702 F762 T784 S789 T790 V791 | L700-A787 HydrophobicContact CG-CB 4.25Å; C702-A787 HydrophobicContact CB-CB 4.28Å; F762-A787 HydrophobicContact CE1-CB 4.49Å; T784-A787 WeakPolarHBondContact O-CB 3.36Å; T784-A787 PolarHBondContact O-N 2.84Å; T784-A787 VanDerWaalsContact OG1-CB 3.3Å; T784-A787 WeakPolarHBondContact OG1-CB 3.46Å; T784-A787 PolarHBondContact OG1-N 3.07Å; A787-S789 VanDerWaalsContact C-N 3.35Å; A787-T790 WeakPolarHBondContact CA-OG1 3.46Å; A787-T790 PolarHBondContact O-N 2.94Å; A787-T790 PolarHBondContact O-OG1 3.1Å; A787-V791 WeakPolarHBondContact O-CG2 3.33Å; A787-V791 PolarHBondContact O-N 2.91Å |
| 788 | I | 66.8 | Low | 63.5 | Low | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 173.8 | -74.1 | 159.5 | 0 | 0 | 0 | 110.6 | L666 L668 A783 T784 T790 V791 T792 L798 | L666-I788 HydrophobicContact CD1-CD1 3.93Å; L666-I788 HydrophobicContact CD2-CD1 3.82Å; L666-I788 HydrophobicContact CG-CD1 3.94Å; L668-I788 HydrophobicContact CD2-CD1 3.12Å; A783-I788 HydrophobicContact CB-CD1 3.54Å; A783-I788 HydrophobicContact CB-CG1 3.88Å; T784-I788 PolarHBondContact O-N 3.47Å; T784-I788 VanDerWaalsContact O-N 3.1Å; I788-T790 VanDerWaalsContact C-N 3.3Å; I788-T790 PolarHBondContact O-N 2.98Å; I788-V791 PolarHBondContact O-N 2.71Å; I788-T792 HydrophobicContact CG2-CG2 4.12Å; I788-T792 WeakPolarHBondContact O-CG2 3.13Å; I788-T792 PolarHBondContact O-N 3.39Å; I788-T792 PolarHBondContact O-OG1 2.96Å; I788-L798 HydrophobicContact CG1-CD1 4.47Å |
| 789 | S | 59.8 | Low | 63.2 | Low | 28 Ų | 28 | 24.5 Ų | 24.5 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -36.4 | 173.5 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | Q785 A786 A787 T792 T793 | Q785-S789 PolarHBondContact O-N 2.97Å; Q785-S789 VanDerWaalsContact O-N 3.12Å; A786-S789 WeakPolarHBondContact O-CB 3.4Å; A786-S789 PolarHBondContact O-N 2.94Å; A787-S789 VanDerWaalsContact C-N 3.35Å; S789-T792 PolarHBondContact O-OG1 3.35Å; S789-T793 WeakPolarHBondContact O-CB 3.12Å; S789-T793 WeakPolarHBondContact O-CG2 3.31Å; S789-T793 PolarHBondContact O-N 3.45Å; S789-T793 VanDerWaalsContact O-N 3.12Å; S789-T793 PolarHBondContact O-OG1 2.85Å |
| 790 | T | 59.3 | Low | 63 | Low | 39 Ų | 39 | 27.5 Ų | 27.5 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.7 | -29 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | F762 A786 A787 I788 T793 S794 | F762-T790 VanDerWaalsContact CZ-OG1 3.28Å; F762-T790 WeakPolarHBondContact CZ-OG1 3.22Å; A786-T790 PolarHBondContact O-N 3.35Å; A786-T790 PolarHBondContact O-OG1 3.24Å; A787-T790 WeakPolarHBondContact CA-OG1 3.46Å; A787-T790 PolarHBondContact O-N 2.94Å; A787-T790 PolarHBondContact O-OG1 3.1Å; I788-T790 VanDerWaalsContact C-N 3.3Å; I788-T790 PolarHBondContact O-N 2.98Å; T790-T793 WeakPolarHBondContact CA-OG1 3.39Å; T790-T793 PolarHBondContact O-OG1 3.34Å; T790-S794 VanDerWaalsContact O-CB 3.25Å; T790-S794 WeakPolarHBondContact O-CB 3.4Å; T790-S794 PolarHBondContact O-N 2.9Å; T790-S794 PolarHBondContact O-OG 3.4Å |
| 791 | V | 61.4 | Low | 62.7 | Low | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -48.3 | 168 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | L700 F762 I770 A787 I788 T793 S794 T796 L798 | L700-V791 HydrophobicContact CD2-CG2 3.91Å; F762-V791 HydrophobicContact CE1-CG2 4.19Å; F762-V791 HydrophobicContact CE2-CG2 3.81Å; F762-V791 HydrophobicContact CZ-CB 4.48Å; F762-V791 HydrophobicContact CZ-CG2 3.44Å; F762-V791 VanDerWaalsContact CZ-CG2 3.44Å; I770-V791 HydrophobicContact CD1-CG2 3.8Å; A787-V791 WeakPolarHBondContact O-CG2 3.33Å; A787-V791 PolarHBondContact O-N 2.91Å; I788-V791 PolarHBondContact O-N 2.71Å; V791-T793 VanDerWaalsContact C-N 3.32Å; V791-T793 PolarHBondContact O-N 3.49Å; V791-S794 PolarHBondContact O-N 2.71Å; V791-S794 PolarHBondContact O-OG 2.99Å; V791-T796 WeakPolarHBondContact CG1-OG1 3.04Å; V791-T796 PolarHBondContact O-N 2.92Å; V791-T796 PolarHBondContact O-OG1 3.1Å; V791-L798 HydrophobicContact CB-CD1 4.43Å; V791-L798 HydrophobicContact CG1-CD1 3.63Å; V791-L798 HydrophobicContact CG1-CD2 4.45Å; V791-L798 HydrophobicContact CG1-CG 3.68Å |
| 792 | T | 54.7 | Low | 62.2 | Low | 22 Ų | 22 | 28.5 Ų | 28.5 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | E247 I788 S789 G795 S818 R822 | E247-T792 WeakPolarHBondContact OE1-CG2 3.32Å; I788-T792 HydrophobicContact CG2-CG2 4.12Å; I788-T792 WeakPolarHBondContact O-CG2 3.13Å; I788-T792 PolarHBondContact O-N 3.39Å; I788-T792 PolarHBondContact O-OG1 2.96Å; S789-T792 PolarHBondContact O-OG1 3.35Å; T792-G795 PolarHBondContact O-N 2.92Å; T792-S818 PolarHBondContact OG1-OG 3.07Å; T792-R822 VanDerWaalsContact CG2-NH2 3.33Å |
| 793 | T | 49.6 | Very low | 61.8 | Low | 47 Ų | 47 | 29.7 Ų | 29.7 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -72.7 | -37.6 | 176.8 | 53 | 0 | 0 | 0 | 0 | 112.9 | S47 N48 S789 T790 V791 G795 | S47-T793 WeakPolarHBondContact OG-CB 3.24Å; S47-T793 WeakPolarHBondContact OG-CG2 3.34Å; N48-T793 WeakPolarHBondContact CB-O 3.34Å; N48-T793 PolarHBondContact ND2-O 3.39Å; S789-T793 WeakPolarHBondContact O-CB 3.12Å; S789-T793 WeakPolarHBondContact O-CG2 3.31Å; S789-T793 PolarHBondContact O-N 3.45Å; S789-T793 VanDerWaalsContact O-N 3.12Å; S789-T793 PolarHBondContact O-OG1 2.85Å; T790-T793 WeakPolarHBondContact CA-OG1 3.39Å; T790-T793 PolarHBondContact O-OG1 3.34Å; V791-T793 VanDerWaalsContact C-N 3.32Å; V791-T793 PolarHBondContact O-N 3.49Å; T793-G795 PolarHBondContact O-N 3.32Å |
| 794 | S | 50.7 | Low | 61.7 | Low | 30 Ų | 30 | 29.7 Ų | 29.7 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -9 | 175.3 | 74 | 0 | 0 | 0 | 0 | 114.2 | N48 T790 V791 T796 | N48-S794 VanDerWaalsContact ND2-C 3.27Å; N48-S794 WeakPolarHBondContact ND2-CA 3.42Å; N48-S794 PolarHBondContact ND2-O 3.47Å; T790-S794 VanDerWaalsContact O-CB 3.25Å; T790-S794 WeakPolarHBondContact O-CB 3.4Å; T790-S794 PolarHBondContact O-N 2.9Å; T790-S794 PolarHBondContact O-OG 3.4Å; V791-S794 PolarHBondContact O-N 2.71Å; V791-S794 PolarHBondContact O-OG 2.99Å; S794-T796 VanDerWaalsContact C-N 3.32Å; S794-T796 PolarHBondContact OG-OG1 3.42Å |
| 795 | G | 50.5 | Low | 61.6 | Low | 39 Ų | 39 | 29.9 Ų | 29.9 | 40% | 0.402 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T792 T793 E797 | T792-G795 PolarHBondContact O-N 2.92Å; T793-G795 PolarHBondContact O-N 3.32Å; G795-E797 PolarHBondContact O-N 3.42Å |
| 796 | T | 54.1 | Low | 61.9 | Low | 34 Ų | 34 | 28.7 Ų | 28.7 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | trans | -81.4 | 106.8 | -178.2 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | V791 S794 L798 | V791-T796 WeakPolarHBondContact CG1-OG1 3.04Å; V791-T796 PolarHBondContact O-N 2.92Å; V791-T796 PolarHBondContact O-OG1 3.1Å; S794-T796 VanDerWaalsContact C-N 3.32Å; S794-T796 PolarHBondContact OG-OG1 3.42Å; T796-L798 PolarHBondContact O-N 2.91Å; T796-L798 VanDerWaalsContact O-N 3.12Å | ||
| 797 | E | 55.5 | Low | 62.3 | Low | 111 Ų | 111 | 29 Ų | 29 | 52% | 0.519 | 17% | 0.166 | S | C | . | . | trans | -66.7 | 114.2 | -178.9 | -65.6 | -156.7 | 157.7 | 0 | 0 | 111.7 | R774 G795 N967 | R774-E797 VanDerWaalsContact CZ-O 3.3Å; R774-E797 PolarHBondContact NE-O 3.27Å; R774-E797 PolarHBondContact NH2-O 3.37Å; G795-E797 PolarHBondContact O-N 3.42Å; E797-N967 PolarHBondContact OE2-ND2 2.75Å | ||
| 798 | L | 63.3 | Low | 62.3 | Low | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | trans | -74.8 | 147.7 | 161.6 | -77.2 | 166.2 | 0 | 0 | 0 | 110.5 | I770 F773 L781 I788 V791 T796 R822 | I770-L798 HydrophobicContact CG2-CD2 4.2Å; F773-L798 HydrophobicContact CD1-CD2 3.82Å; F773-L798 HydrophobicContact CE1-CD2 4.17Å; L781-L798 HydrophobicContact CD2-CD2 4.44Å; I788-L798 HydrophobicContact CG1-CD1 4.47Å; V791-L798 HydrophobicContact CB-CD1 4.43Å; V791-L798 HydrophobicContact CG1-CD1 3.63Å; V791-L798 HydrophobicContact CG1-CD2 4.45Å; V791-L798 HydrophobicContact CG1-CG 3.68Å; T796-L798 PolarHBondContact O-N 2.91Å; T796-L798 VanDerWaalsContact O-N 3.12Å; L798-R822 PolarHBondContact O-NH1 3.31Å | ||
| 799 | P | 59.6 | Low | 62.4 | Low | 35 Ų | 35 | 35.5 Ų | 35.5 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | trans | -63.2 | 167.3 | 178.6 | 29.5 | -36.5 | 0 | 0 | 0 | 112.6 | F773 C801 | F773-P799 HydrophobicContact CD1-CG 3.6Å; F773-P799 HydrophobicContact CE1-CG 3.53Å; F773-P799 HydrophobicContact CG-CG 4.44Å; F773-P799 HydrophobicContact CZ-CG 4.33Å; P799-C801 PolarHBondContact O-N 2.86Å | ||
| 800 | R | 62.2 | Low | 62.8 | Low | 91 Ų | 91 | 34.3 Ų | 34.3 | 34% | 0.343 | 18% | 0.184 | S | C | . | . | trans | -84.6 | 103.1 | -176.2 | -61.7 | -179.2 | -169 | 173.8 | 6.9 | 110.7 | R824 L825 | R800-R824 HydrophobicContact CB-CB 4.19Å; R800-R824 HydrophobicContact CG-CB 4.12Å; R800-L825 HydrophobicContact CB-CD1 4.29Å | ||
| 801 | C | 67.1 | Low | 63.1 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 153.1 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | C664 P799 V804 R822 R824 | C664-C801 VanDerWaalsContact O-CA 3.23Å; C664-C801 WeakPolarHBondContact O-CA 3.4Å; C664-C801 WeakPolarHBondContact O-CB 3.49Å; P799-C801 PolarHBondContact O-N 2.86Å; C801-V804 HydrophobicContact CB-CG2 4.17Å; C801-R822 PolarHBondContact N-O 2.79Å; C801-R824 PolarHBondContact O-N 2.9Å; C801-R824 VanDerWaalsContact O-N 3.16Å |
| 802 | N | 66.4 | Low | 63.4 | Low | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -98.5 | -22.6 | 171.2 | 65.2 | -10.9 | 0 | 0 | 0 | 112.8 | C664 L825 K831 | C664-N802 PolarHBondContact N-OD1 2.92Å; C664-N802 VanDerWaalsContact N-OD1 3.15Å; C664-N802 PolarHBondContact O-N 3.38Å; C664-N802 PolarHBondContact O-OD1 2.85Å; N802-L825 HydrophobicContact CB-CB 4.21Å; N802-L825 HydrophobicContact CB-CD2 4.12Å; N802-K831 PolarHBondContact O-N 3.35Å |
| 803 | L | 68.3 | Low | 64 | Low | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.4 | 176.5 | 177.9 | 61.5 | 0 | 0 | 0 | 110.4 | V459 I463 G665 L666 I805 I833 | V459-L803 HydrophobicContact CG1-CD2 4.32Å; I463-L803 HydrophobicContact CD1-CD2 4.3Å; G665-L803 WeakPolarHBondContact CA-O 3Å; L666-L803 PolarHBondContact N-O 2.94Å; L803-I805 HydrophobicContact CD2-CD1 4.1Å; L803-I805 HydrophobicContact CD2-CG1 4.5Å; L803-I805 HydrophobicContact CG-CD1 4.39Å; L803-I805 HydrophobicContact CG-CG1 4.26Å; L803-I833 HydrophobicContact CD1-CD1 4.04Å |
| 804 | V | 72.8 | Confident | 64.6 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.7 | 168.9 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | L666 L668 C801 R822 K831 V832 I833 | L666-V804 HydrophobicContact CB-CG2 4.27Å; L666-V804 WeakPolarHBondContact O-CA 3.47Å; L668-V804 HydrophobicContact CD1-CG1 3.47Å; L668-V804 VanDerWaalsContact CD1-CG1 3.47Å; L668-V804 HydrophobicContact CG-CG1 3.99Å; C801-V804 HydrophobicContact CB-CG2 4.17Å; V804-R822 HydrophobicContact CG2-CB 4.47Å; V804-K831 PolarHBondContact N-O 3.26Å; V804-K831 VanDerWaalsContact N-O 3.17Å; V804-V832 HydrophobicContact CB-CG2 4.41Å; V804-V832 CarbonylContact O-C 3.57Å; V804-V832 WeakPolarHBondContact O-CA 3.21Å; V804-I833 PolarHBondContact O-N 3.49Å |
| 805 | I | 73.4 | Confident | 65.3 | Low | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.5 | 175.3 | 18.9 | -174.7 | 0 | 0 | 0 | 108.8 | I463 L466 L666 I667 L668 L803 I833 L835 | I463-I805 HydrophobicContact CG1-CD1 4.22Å; L466-I805 HydrophobicContact CD1-CD1 4.45Å; L666-I805 PolarHBondContact O-N 3.47Å; I667-I805 CarbonylContact C-O 3.51Å; I667-I805 WeakPolarHBondContact CA-O 3.49Å; I667-I805 HydrophobicContact CG1-CG1 4.28Å; L668-I805 PolarHBondContact N-O 3.1Å; L803-I805 HydrophobicContact CD2-CD1 4.1Å; L803-I805 HydrophobicContact CD2-CG1 4.5Å; L803-I805 HydrophobicContact CG-CD1 4.39Å; L803-I805 HydrophobicContact CG-CG1 4.26Å; I805-I833 CarbonylContact C-O 3.55Å; I805-I833 WeakPolarHBondContact CA-O 3.25Å; I805-I833 HydrophobicContact CB-CB 4.26Å; I805-L835 HydrophobicContact CG2-CD1 4.27Å |
| 806 | A | 74.7 | Confident | 66.3 | Low | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L668 R808 I833 Y834 L835 | L668-A806 HydrophobicContact CB-CB 4Å; L668-A806 HydrophobicContact CD1-CB 3.99Å; L668-A806 HydrophobicContact CG-CB 4.43Å; A806-R808 PolarHBondContact O-N 3.28Å; A806-I833 PolarHBondContact N-O 3.42Å; A806-Y834 HydrophobicContact CB-CD1 3.73Å; A806-Y834 HydrophobicContact CB-CE1 4.01Å; A806-L835 PolarHBondContact O-N 2.92Å |
| 807 | L | 71.2 | Confident | 66.8 | Low | 50 Ų | 50 | 36.1 Ų | 36.1 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -76.4 | -8 | 176.6 | -66 | 170 | 0 | 0 | 0 | 113.1 | L341 I667 L668 V669 L678 L835 | L341-L807 HydrophobicContact CD2-CD1 4.34Å; I667-L807 HydrophobicContact CG2-CD1 4.5Å; L668-L807 PolarHBondContact O-N 3.08Å; V669-L807 HydrophobicContact CB-CD1 4.47Å; V669-L807 HydrophobicContact CG1-CD1 4.15Å; V669-L807 HydrophobicContact CG2-CD1 4.1Å; L678-L807 HydrophobicContact CD2-CD1 3.97Å; L807-L835 HydrophobicContact CD2-CD1 3.87Å |
| 808 | R | 67.2 | Low | 67.3 | Low | 107 Ų | 107 | 31 Ų | 31 | 40% | 0.404 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -147.2 | 155.8 | -176.8 | -165.4 | 164.8 | 175.1 | 155.6 | -14.7 | 110.8 | E336 E340 A806 | E336-R808 IonicContact OE1-NH1 2.69Å; E340-R808 IonicContact OE1-NH1 3.41Å; E340-R808 PolarHBondContact OE1-NH1 3.5Å; A806-R808 PolarHBondContact O-N 3.28Å |
| 809 | L | 67.8 | Low | 67.4 | Low | 28 Ų | 28 | 30.6 Ų | 30.6 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | trans | -63.4 | 148.3 | 169.3 | -75.4 | 164.5 | 0 | 0 | 0 | 111.2 | M836 F895 | L809-M836 HydrophobicContact CD1-CE 3.98Å; L809-M836 HydrophobicContact CD1-CG 4.05Å; L809-M836 HydrophobicContact CD1-SD 3.85Å; L809-M836 HydrophobicContact CD2-CG 4.31Å; L809-M836 HydrophobicContact CD2-SD 4.01Å; L809-M836 HydrophobicContact CG-CG 3.96Å; L809-M836 HydrophobicContact CG-SD 4.1Å; L809-F895 HydrophobicContact CB-CE1 4.5Å; L809-F895 HydrophobicContact CD1-CD1 4.37Å; L809-F895 HydrophobicContact CD1-CE1 4.39Å; L809-F895 HydrophobicContact CD2-CD1 4.41Å | ||
| 810 | P | 68.8 | Low | 67.8 | Low | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | trans | -69.7 | 135.1 | 172.1 | 29.5 | -32.9 | 0 | 0 | 0 | 110.5 | E815 Y816 Y834 F899 | P810-E815 HydrophobicContact CB-CB 3.77Å; P810-Y816 HydrophobicContact CG-CD2 4.27Å; P810-Y834 HydrophobicContact CG-CE1 4.41Å; P810-F899 HydrophobicContact CG-CE2 4.4Å | ||
| 811 | N | 65.9 | Low | 67.7 | Low | 97 Ų | 97 | 25.5 Ų | 25.5 | 52% | 0.519 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -85.9 | -15.5 | 178.1 | -59.5 | -55.7 | 0 | 0 | 0 | 112.3 | E815 | N811-E815 PolarHBondContact N-OE2 2.81Š|
| 812 | S | 68.2 | Low | 67.6 | Low | 21 Ų | 21 | 26.7 Ų | 26.7 | 15% | 0.147 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -140.1 | 159.4 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | A814 E815 Y816 | S812-A814 PolarHBondContact O-N 2.96Å; S812-E815 WeakPolarHBondContact CB-OE1 3.44Å; S812-E815 PolarHBondContact N-OE1 3.25Å; S812-E815 WeakPolarHBondContact O-CB 3.18Å; S812-E815 PolarHBondContact O-N 3.18Å; S812-E815 WeakPolarHBondContact OG-CG 3.35Å; S812-E815 PolarHBondContact OG-N 3.33Å; S812-E815 PolarHBondContact OG-OE1 2.79Å; S812-Y816 PolarHBondContact O-N 3.13Å; S812-Y816 VanDerWaalsContact O-N 3.12Å |
| 813 | L | 66.7 | Low | 67.4 | Low | 24 Ų | 24 | 25.1 Ų | 25.1 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -33 | 177.3 | -178.1 | 64.9 | 0 | 0 | 0 | 112.2 | L217 Y816 L817 F899 L902 L906 | L217-L813 HydrophobicContact CD1-CD2 4.36Å; L813-Y816 HydrophobicContact CD1-CD1 4.34Å; L813-Y816 PolarHBondContact O-N 3.36Å; L813-L817 HydrophobicContact CD1-CD1 4.43Å; L813-L817 HydrophobicContact CD1-CG 4.31Å; L813-L817 HydrophobicContact CG-CD1 4.28Å; L813-L817 HydrophobicContact CG-CG 4.48Å; L813-L817 WeakPolarHBondContact O-CG 3.35Å; L813-L817 PolarHBondContact O-N 3.05Å; L813-F899 HydrophobicContact CB-CD1 4.16Å; L813-F899 HydrophobicContact CB-CE1 4.22Å; L813-F899 HydrophobicContact CD1-CB 4.45Å; L813-F899 HydrophobicContact CD1-CD1 3.94Å; L813-L902 HydrophobicContact CD1-CB 4.05Å; L813-L902 HydrophobicContact CD2-CB 4.04Å; L813-L906 HydrophobicContact CD2-CD1 3.82Å |
| 814 | A | 62.1 | Low | 67 | Low | 55 Ų | 55 | 25.5 Ų | 25.5 | 46% | 0.455 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S812 L817 S818 | S812-A814 PolarHBondContact O-N 2.96Å; A814-L817 PolarHBondContact O-N 3.08Å; A814-S818 WeakPolarHBondContact O-CB 3.05Å; A814-S818 PolarHBondContact O-N 3.5Å; A814-S818 PolarHBondContact O-OG 2.94Å |
| 815 | E | 65.5 | Low | 66.2 | Low | 27 Ų | 27 | 28.3 Ų | 28.3 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -44 | 175.2 | -70.7 | 157.7 | -125.1 | 0 | 0 | 111.7 | Q785 P810 N811 S812 S818 S819 | Q785-E815 HydrophobicContact CG-CB 4.2Å; Q785-E815 HydrophobicContact CG-CG 3.99Å; Q785-E815 PolarHBondContact NE2-O 3.03Å; P810-E815 HydrophobicContact CB-CB 3.77Å; N811-E815 PolarHBondContact N-OE2 2.81Å; S812-E815 WeakPolarHBondContact CB-OE1 3.44Å; S812-E815 PolarHBondContact N-OE1 3.25Å; S812-E815 WeakPolarHBondContact O-CB 3.18Å; S812-E815 PolarHBondContact O-N 3.18Å; S812-E815 WeakPolarHBondContact OG-CG 3.35Å; S812-E815 PolarHBondContact OG-N 3.33Å; S812-E815 PolarHBondContact OG-OE1 2.79Å; E815-S818 PolarHBondContact O-N 2.91Å; E815-S819 PolarHBondContact O-N 3.41Å; E815-S819 VanDerWaalsContact O-N 3.1Å; E815-S819 PolarHBondContact O-OG 3.47Å |
| 816 | Y | 70.8 | Confident | 65 | Low | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.9 | 174 | -113.7 | 0 | 0 | 0 | 112.3 | E260 P810 S812 L813 S819 K820 L896 F899 Q900 | E260-Y816 PolarHBondContact OE1-OH 3.42Å; E260-Y816 PolarHBondContact OE2-OH 3.47Å; P810-Y816 HydrophobicContact CG-CD2 4.27Å; S812-Y816 PolarHBondContact O-N 3.13Å; S812-Y816 VanDerWaalsContact O-N 3.12Å; L813-Y816 HydrophobicContact CD1-CD1 4.34Å; L813-Y816 PolarHBondContact O-N 3.36Å; Y816-S819 PolarHBondContact O-OG 3.21Å; Y816-K820 HydrophobicContact CE1-CD 4.1Å; Y816-K820 HydrophobicContact CE2-CD 4.41Å; Y816-K820 VanDerWaalsContact O-CB 3.25Å; Y816-K820 WeakPolarHBondContact O-CB 3.03Å; Y816-K820 PolarHBondContact O-N 3.27Å; Y816-K820 PolarHBondContact OH-NZ 2.89Å; Y816-L896 HydrophobicContact CD2-CD1 4.08Å; Y816-L896 HydrophobicContact CE2-CD1 3.57Å; Y816-F899 HydrophobicContact CD1-CB 3.84Å; Y816-F899 HydrophobicContact CE1-CB 4.09Å; Y816-F899 HydrophobicContact CG-CB 4.19Å; Y816-Q900 VanDerWaalsContact OH-CG 3.31Å; Y816-Q900 WeakPolarHBondContact OH-CG 3.36Å |
| 817 | L | 64.8 | Low | 63.8 | Low | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | 179 | -66.7 | -176.7 | 0 | 0 | 0 | 112 | L248 L813 A814 S819 K820 A821 E903 | L248-L817 HydrophobicContact CD1-CD1 4.21Å; L248-L817 HydrophobicContact CD1-CD2 3.64Å; L813-L817 HydrophobicContact CD1-CD1 4.43Å; L813-L817 HydrophobicContact CD1-CG 4.31Å; L813-L817 HydrophobicContact CG-CD1 4.28Å; L813-L817 HydrophobicContact CG-CG 4.48Å; L813-L817 WeakPolarHBondContact O-CG 3.35Å; L813-L817 PolarHBondContact O-N 3.05Å; A814-L817 PolarHBondContact O-N 3.08Å; L817-S819 PolarHBondContact O-N 3.13Å; L817-K820 PolarHBondContact O-N 2.9Å; L817-A821 WeakPolarHBondContact O-CB 3.42Å; L817-A821 PolarHBondContact O-N 2.67Å; L817-E903 HydrophobicContact CD2-CG 4.19Å |
| 818 | S | 65.7 | Low | 62.7 | Low | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 178.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | E247 T792 A814 E815 R822 | E247-S818 WeakPolarHBondContact OE2-CA 3.1Å; T792-S818 PolarHBondContact OG1-OG 3.07Å; A814-S818 WeakPolarHBondContact O-CB 3.05Å; A814-S818 PolarHBondContact O-N 3.5Å; A814-S818 PolarHBondContact O-OG 2.94Å; E815-S818 PolarHBondContact O-N 2.91Å; S818-R822 WeakPolarHBondContact O-CG 3.45Å |
| 819 | S | 66.5 | Low | 62 | Low | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -45.1 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | E815 Y816 L817 A821 R822 Y834 | E815-S819 PolarHBondContact O-N 3.41Å; E815-S819 VanDerWaalsContact O-N 3.1Å; E815-S819 PolarHBondContact O-OG 3.47Å; Y816-S819 PolarHBondContact O-OG 3.21Å; L817-S819 PolarHBondContact O-N 3.13Å; S819-A821 VanDerWaalsContact C-N 3.31Å; S819-A821 PolarHBondContact O-N 2.58Å; S819-R822 PolarHBondContact O-N 3.19Å; S819-Y834 PolarHBondContact OG-OH 3.22Å |
| 820 | K | 68.2 | Low | 61.5 | Low | 17 Ų | 17 | 39 Ų | 39 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 176.9 | -170.2 | 173.9 | -179.5 | 162.2 | 0 | 112.4 | M251 P258 E260 Y816 L817 R822 E903 | M251-K820 HydrophobicContact CE-CD 4.31Å; M251-K820 HydrophobicContact SD-CD 4.06Å; M251-K820 HydrophobicContact SD-CG 3.83Å; P258-K820 HydrophobicContact CG-CG 4.26Å; E260-K820 WeakPolarHBondContact OE1-CD 3.26Å; E260-K820 WeakPolarHBondContact OE1-CE 3.45Å; E260-K820 IonicContact OE1-NZ 2.76Å; E260-K820 PolarHBondContact OE1-NZ 2.85Å; Y816-K820 HydrophobicContact CE1-CD 4.1Å; Y816-K820 HydrophobicContact CE2-CD 4.41Å; Y816-K820 VanDerWaalsContact O-CB 3.25Å; Y816-K820 WeakPolarHBondContact O-CB 3.03Å; Y816-K820 PolarHBondContact O-N 3.27Å; Y816-K820 PolarHBondContact OH-NZ 2.89Å; L817-K820 PolarHBondContact O-N 2.9Å; K820-R822 VanDerWaalsContact C-N 3.26Å; K820-R822 PolarHBondContact O-N 3.07Å; K820-E903 IonicContact NZ-OE1 2.72Å; K820-E903 IonicContact NZ-OE2 3.19Å; K820-E903 PolarHBondContact NZ-OE2 3.38Å |
| 821 | A | 59.9 | Low | 61.3 | Low | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E247 L817 S819 R824 | E247-A821 HydrophobicContact CB-CB 4.18Å; E247-A821 HydrophobicContact CG-CB 4.43Å; L817-A821 WeakPolarHBondContact O-CB 3.42Å; L817-A821 PolarHBondContact O-N 2.67Å; S819-A821 VanDerWaalsContact C-N 3.31Å; S819-A821 PolarHBondContact O-N 2.58Å; A821-R824 WeakPolarHBondContact O-CD 3.41Å; A821-R824 PolarHBondContact O-NE 2.92Å; A821-R824 PolarHBondContact O-NH1 2.93Å |
| 822 | R | 63.9 | Low | 61.5 | Low | 25 Ų | 25 | 38.4 Ų | 38.4 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -22.5 | -177.5 | -57 | -65.3 | 148.5 | -177.7 | -6 | 114.2 | E247 L666 T792 L798 C801 V804 S818 S819 K820 R824 | E247-R822 IonicContact OE1-CZ 2.72Å; E247-R822 IonicContact OE1-NE 2.76Å; E247-R822 IonicContact OE1-NH2 3.87Å; E247-R822 PolarHBondContact OE1-NH2 3.49Å; L666-R822 HydrophobicContact CD2-CB 4.09Å; L666-R822 HydrophobicContact CD2-CG 4.33Å; T792-R822 VanDerWaalsContact CG2-NH2 3.33Å; L798-R822 PolarHBondContact O-NH1 3.31Å; C801-R822 PolarHBondContact N-O 2.79Å; V804-R822 HydrophobicContact CG2-CB 4.47Å; S818-R822 WeakPolarHBondContact O-CG 3.45Å; S819-R822 PolarHBondContact O-N 3.19Å; K820-R822 VanDerWaalsContact C-N 3.26Å; K820-R822 PolarHBondContact O-N 3.07Å; R822-R824 PolarHBondContact O-N 2.84Å; R822-R824 VanDerWaalsContact O-N 3.15Å |
| 823 | S | 63 | Low | 61.5 | Low | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 85.3 | 175.9 | -157.5 | 0 | 0 | 0 | 0 | 111 | A830 K831 | S823-A830 WeakPolarHBondContact OG-CB 3.43Å; S823-K831 PolarHBondContact OG-N 2.78Å; S823-K831 PolarHBondContact OG-O 2.75Å |
| 824 | R | 59.1 | Low | 61.7 | Low | 34 Ų | 34 | 37 Ų | 37 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | trans | -134.9 | 9.1 | -164.4 | -75.1 | -172.2 | 176.2 | 158.1 | 3.1 | 116.4 | E247 R800 C801 A821 R822 V826 | E247-R824 PolarHBondContact O-NH2 3.24Å; E247-R824 VanDerWaalsContact O-NH2 3.14Å; R800-R824 HydrophobicContact CB-CB 4.19Å; R800-R824 HydrophobicContact CG-CB 4.12Å; C801-R824 PolarHBondContact O-N 2.9Å; C801-R824 VanDerWaalsContact O-N 3.16Å; A821-R824 WeakPolarHBondContact O-CD 3.41Å; A821-R824 PolarHBondContact O-NE 2.92Å; A821-R824 PolarHBondContact O-NH1 2.93Å; R822-R824 PolarHBondContact O-N 2.84Å; R822-R824 VanDerWaalsContact O-N 3.15Å; R824-V826 PolarHBondContact O-N 3.33Å | ||
| 825 | L | 56.2 | Low | 62 | Low | 58 Ų | 58 | 35.5 Ų | 35.5 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | trans | -78.9 | 88.1 | -177.2 | -150.3 | 73 | 0 | 0 | 0 | 112.5 | R800 N802 N827 Y828 | R800-L825 HydrophobicContact CB-CD1 4.29Å; N802-L825 HydrophobicContact CB-CB 4.21Å; N802-L825 HydrophobicContact CB-CD2 4.12Å; L825-N827 VanDerWaalsContact C-N 3.33Å; L825-N827 PolarHBondContact O-N 2.93Å; L825-N827 VanDerWaalsContact O-N 3.13Å; L825-Y828 HydrophobicContact CD2-CD2 3.56Å; L825-Y828 HydrophobicContact CD2-CE2 4.12Å; L825-Y828 HydrophobicContact CD2-CG 4.24Å; L825-Y828 HydrophobicContact CG-CD2 3.9Å; L825-Y828 PolarHBondContact O-N 3.21Å; L825-Y828 VanDerWaalsContact O-N 3.1Å | ||
| 826 | V | 48.7 | Very low | 61.8 | Low | 89 Ų | 89 | 35 Ų | 35 | 54% | 0.539 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -49.9 | -42 | -165.3 | -165 | 0 | 0 | 0 | 0 | 114.8 | A256 R824 Y828 | A256-V826 HydrophobicContact CB-CG1 4.48Å; A256-V826 HydrophobicContact CB-CG2 4.13Å; R824-V826 PolarHBondContact O-N 3.33Å; V826-Y828 VanDerWaalsContact C-N 3.27Å; V826-Y828 PolarHBondContact O-N 3.39Å |
| 827 | N | 49.1 | Very low | 61.2 | Low | 128 Ų | 128 | 37.1 Ų | 37.1 | 68% | 0.684 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -76.3 | -8.5 | -173.8 | -65.1 | -11.1 | 0 | 0 | 0 | 114.3 | L825 | L825-N827 VanDerWaalsContact C-N 3.33Å; L825-N827 PolarHBondContact O-N 2.93Å; L825-N827 VanDerWaalsContact O-N 3.13Å |
| 828 | Y | 49 | Very low | 60.7 | Low | 151 Ų | 151 | 40.4 Ų | 40.4 | 59% | 0.592 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -123.8 | 12.4 | -165 | -63.7 | -85.9 | 0 | 0 | 0 | 114.9 | L825 V826 | L825-Y828 HydrophobicContact CD2-CD2 3.56Å; L825-Y828 HydrophobicContact CD2-CE2 4.12Å; L825-Y828 HydrophobicContact CD2-CG 4.24Å; L825-Y828 HydrophobicContact CG-CD2 3.9Å; L825-Y828 PolarHBondContact O-N 3.21Å; L825-Y828 VanDerWaalsContact O-N 3.1Å; V826-Y828 VanDerWaalsContact C-N 3.27Å; V826-Y828 PolarHBondContact O-N 3.39Å |
| 829 | G | 52.4 | Low | 60 | Low | 46 Ų | 46 | 43.9 Ų | 43.9 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 50.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 830 | A | 57.4 | Low | 59.3 | Low | 11 Ų | 11 | 46.5 Ų | 46.5 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -53.8 | 136.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | P258 Q259 S823 | P258-A830 WeakPolarHBondContact CA-O 3.32Å; Q259-A830 PolarHBondContact N-O 3.12Å; S823-A830 WeakPolarHBondContact OG-CB 3.43Å | ||
| 831 | K | 63.7 | Low | 58.6 | Low | 87 Ų | 87 | 47.2 Ų | 47.2 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.9 | -173.3 | -75.6 | 156.5 | -170.6 | 168.5 | 0 | 112.2 | Q259 N802 V804 S823 | Q259-K831 HydrophobicContact CB-CG 4.06Å; Q259-K831 WeakPolarHBondContact O-CA 3.44Å; N802-K831 PolarHBondContact O-N 3.35Å; V804-K831 PolarHBondContact N-O 3.26Å; V804-K831 VanDerWaalsContact N-O 3.17Å; S823-K831 PolarHBondContact OG-N 2.78Å; S823-K831 PolarHBondContact OG-O 2.75Å |
| 832 | V | 69.9 | Low | 58 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.3 | 168.4 | -176 | 0 | 0 | 0 | 0 | 107.5 | P258 Q259 E260 R261 V804 Y834 | P258-V832 HydrophobicContact CB-CG2 4.21Å; P258-V832 HydrophobicContact CG-CG2 4.32Å; Q259-V832 PolarHBondContact O-N 3.41Å; E260-V832 CarbonylContact C-O 3.54Å; R261-V832 PolarHBondContact N-O 3.44Å; V804-V832 HydrophobicContact CB-CG2 4.41Å; V804-V832 CarbonylContact O-C 3.57Å; V804-V832 WeakPolarHBondContact O-CA 3.21Å; V832-Y834 HydrophobicContact CG1-CD2 4.34Å; V832-Y834 HydrophobicContact CG1-CE2 3.64Å |
| 833 | I | 69.1 | Low | 57.3 | Low | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.2 | -176.3 | -59.6 | 177.6 | 0 | 0 | 0 | 109.5 | R261 I263 I463 L803 V804 I805 A806 L835 | R261-I833 CarbonylContact O-C 3.59Å; R261-I833 WeakPolarHBondContact O-CA 3.03Å; I263-I833 HydrophobicContact CD1-CG2 3.68Å; I263-I833 HydrophobicContact CG1-CG2 3.72Å; I463-I833 HydrophobicContact CD1-CD1 3.91Å; L803-I833 HydrophobicContact CD1-CD1 4.04Å; V804-I833 PolarHBondContact O-N 3.49Å; I805-I833 CarbonylContact C-O 3.55Å; I805-I833 WeakPolarHBondContact CA-O 3.25Å; I805-I833 HydrophobicContact CB-CB 4.26Å; A806-I833 PolarHBondContact N-O 3.42Å; I833-L835 HydrophobicContact CG2-CG 4.42Å |
| 834 | Y | 71.1 | Confident | 56.8 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.8 | 174.5 | -64.9 | -80.5 | 0 | 0 | 0 | 111.3 | R261 I263 A806 P810 S819 V832 | R261-Y834 PolarHBondContact O-N 3.26Å; I263-Y834 PolarHBondContact N-O 3Å; A806-Y834 HydrophobicContact CB-CD1 3.73Å; A806-Y834 HydrophobicContact CB-CE1 4.01Å; P810-Y834 HydrophobicContact CG-CE1 4.41Å; S819-Y834 PolarHBondContact OG-OH 3.22Å; V832-Y834 HydrophobicContact CG1-CD2 4.34Å; V832-Y834 HydrophobicContact CG1-CE2 3.64Å |
| 835 | L | 67.4 | Low | 56.1 | Low | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 132.4 | 164.7 | 51.5 | 55.6 | 0 | 0 | 0 | 111.6 | I263 I805 A806 L807 I833 | I263-L835 HydrophobicContact CD1-CD2 4.2Å; I263-L835 HydrophobicContact CG1-CD2 4.1Å; I263-L835 HydrophobicContact CG1-CG 4.44Å; I263-L835 HydrophobicContact CG2-CD2 4.15Å; I263-L835 WeakPolarHBondContact O-CB 3.32Å; I805-L835 HydrophobicContact CG2-CD1 4.27Å; A806-L835 PolarHBondContact O-N 2.92Å; L807-L835 HydrophobicContact CD2-CD1 3.87Å; I833-L835 HydrophobicContact CG2-CG 4.42Å |
| 836 | M | 61.2 | Low | 55.5 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128 | 173 | -82.6 | -172.9 | 61.4 | 0 | 0 | 114 | V262 I263 L264 C265 L809 I841 | V262-M836 HydrophobicContact CG1-CB 4.49Å; V262-M836 HydrophobicContact CG1-CG 4.04Å; V262-M836 HydrophobicContact CG1-SD 3.39Å; V262-M836 WeakPolarHBondContact CG1-SD 3.3Å; I263-M836 PolarHBondContact O-N 3.37Å; I263-M836 VanDerWaalsContact O-N 3.15Å; L264-M836 HydrophobicContact CD2-CB 4.06Å; L264-M836 HydrophobicContact CD2-CE 4.14Å; C265-M836 WeakPolarHBondContact CB-O 3.35Å; C265-M836 PolarHBondContact N-O 3.47Å; L809-M836 HydrophobicContact CD1-CE 3.98Å; L809-M836 HydrophobicContact CD1-CG 4.05Å; L809-M836 HydrophobicContact CD1-SD 3.85Å; L809-M836 HydrophobicContact CD2-CG 4.31Å; L809-M836 HydrophobicContact CD2-SD 4.01Å; L809-M836 HydrophobicContact CG-CG 3.96Å; L809-M836 HydrophobicContact CG-SD 4.1Å; M836-I841 HydrophobicContact CE-CD1 4.03Å; M836-I841 HydrophobicContact CE-CG1 3.89Å |
| 837 | D | 58.9 | Low | 55.3 | Low | 44 Ų | 44 | 66.9 Ų | 66.9 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.9 | 172.1 | -103.8 | 42.6 | 0 | 0 | 0 | 111.8 | K470 D839 S840 | K470-D837 IonicContact NZ-OD1 3.63Å; K470-D837 PolarHBondContact NZ-OD1 2.94Å; K470-D837 IonicContact NZ-OD2 3.91Å; K470-D837 PolarHBondContact NZ-OD2 3.45Å; D837-D839 VanDerWaalsContact C-N 3.35Å; D837-D839 PolarHBondContact O-N 3.47Å; D837-S840 WeakPolarHBondContact O-CB 3.35Å; D837-S840 PolarHBondContact O-N 3.17Å; D837-S840 VanDerWaalsContact O-N 3.11Å; D837-S840 PolarHBondContact O-OG 3.39Å |
| 838 | H | 55.2 | Low | 54.9 | Low | 94 Ų | 94 | 65.6 Ų | 65.6 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -44.4 | -173.5 | -105 | -101.2 | 0 | 0 | 0 | 114.5 | S840 I841 | H838-S840 PolarHBondContact O-N 3.29Å; H838-I841 WeakPolarHBondContact O-CB 3.49Å; H838-I841 PolarHBondContact O-N 3.39Å |
| 839 | D | 49.8 | Very low | 54.3 | Low | 78 Ų | 78 | 63.6 Ų | 63.6 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -21.8 | -177.6 | -49.3 | 17.9 | 0 | 0 | 0 | 113.5 | K267 D837 I841 | K267-D839 IonicContact NZ-OD1 2.65Å; K267-D839 PolarHBondContact NZ-OD1 3.44Å; K267-D839 IonicContact NZ-OD2 3.25Å; K267-D839 PolarHBondContact NZ-OD2 3.4Å; D837-D839 VanDerWaalsContact C-N 3.35Å; D837-D839 PolarHBondContact O-N 3.47Å; D839-I841 VanDerWaalsContact C-N 3.34Å |
| 840 | S | 52.8 | Low | 53.4 | Low | 55 Ų | 55 | 65.3 Ų | 65.3 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.9 | -28.7 | 177 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | D837 H838 I844 | D837-S840 WeakPolarHBondContact O-CB 3.35Å; D837-S840 PolarHBondContact O-N 3.17Å; D837-S840 VanDerWaalsContact O-N 3.11Å; D837-S840 PolarHBondContact O-OG 3.39Å; H838-S840 PolarHBondContact O-N 3.29Å; S840-I844 WeakPolarHBondContact O-CG1 3.43Å; S840-I844 PolarHBondContact O-N 2.82Å |
| 841 | I | 52 | Low | 52.4 | Low | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -40 | -176.8 | -56.9 | 176.5 | 0 | 0 | 0 | 110.2 | L264 M836 H838 D839 K843 I844 N845 | L264-I841 HydrophobicContact CD2-CD1 4.17Å; M836-I841 HydrophobicContact CE-CD1 4.03Å; M836-I841 HydrophobicContact CE-CG1 3.89Å; H838-I841 WeakPolarHBondContact O-CB 3.49Å; H838-I841 PolarHBondContact O-N 3.39Å; D839-I841 VanDerWaalsContact C-N 3.34Å; I841-K843 PolarHBondContact O-N 3.09Å; I841-I844 PolarHBondContact O-N 3.42Å; I841-N845 PolarHBondContact O-N 3.31Å |
| 842 | E | 47.4 | Very low | 51 | Low | 138 Ų | 138 | 73.6 Ų | 73.6 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.5 | -38.5 | 177.2 | -64.1 | -165.5 | 155.2 | 0 | 0 | 112.6 | I844 N845 N846 | E842-I844 VanDerWaalsContact C-N 3.32Å; E842-I844 PolarHBondContact O-N 3.03Å; E842-N845 PolarHBondContact O-N 3.29Å; E842-N846 WeakPolarHBondContact O-CB 3.35Å; E842-N846 PolarHBondContact O-N 2.99Å; E842-N846 PolarHBondContact O-ND2 3.42Å |
| 843 | K | 49.3 | Very low | 49 | Very low | 151 Ų | 151 | 80.4 Ų | 80.4 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.5 | -37.9 | 175.6 | -70.6 | 178.8 | 179.1 | 175.9 | 0 | 112.2 | I841 N847 | I841-K843 PolarHBondContact O-N 3.09Å; K843-N847 PolarHBondContact O-N 3.09Å |
| 844 | I | 53 | Low | 47.1 | Very low | 59 Ų | 59 | 86.8 Ų | 86.8 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 175.4 | -66.9 | 169.3 | 0 | 0 | 0 | 110.9 | S840 I841 E842 N848 F895 | S840-I844 WeakPolarHBondContact O-CG1 3.43Å; S840-I844 PolarHBondContact O-N 2.82Å; I841-I844 PolarHBondContact O-N 3.42Å; E842-I844 VanDerWaalsContact C-N 3.32Å; E842-I844 PolarHBondContact O-N 3.03Å; I844-N848 PolarHBondContact O-N 3.38Å; I844-N848 PolarHBondContact O-ND2 2.62Å; I844-F895 HydrophobicContact CD1-CD2 4.49Å |
| 845 | N | 45.7 | Very low | 45 | Very low | 66 Ų | 66 | 94 Ų | 94 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.1 | -81.9 | -16.8 | 0 | 0 | 0 | 112.8 | I841 E842 N848 N849 | I841-N845 PolarHBondContact O-N 3.31Å; E842-N845 PolarHBondContact O-N 3.29Å; N845-N848 PolarHBondContact O-N 2.94Å; N845-N849 PolarHBondContact O-N 3.14Å |
| 846 | N | 43.7 | Very low | 43.1 | Very low | 97 Ų | 97 | 100.5 Ų | 100.5 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | -178.1 | -75 | -24.9 | 0 | 0 | 0 | 113 | E842 N848 N849 S850 | E842-N846 WeakPolarHBondContact O-CB 3.35Å; E842-N846 PolarHBondContact O-N 2.99Å; E842-N846 PolarHBondContact O-ND2 3.42Å; N846-N848 VanDerWaalsContact C-N 3.3Å; N846-N848 PolarHBondContact O-N 2.96Å; N846-N849 PolarHBondContact O-N 3.12Å; N846-S850 PolarHBondContact O-N 2.92Å; N846-S850 PolarHBondContact O-OG 2.9Å |
| 847 | N | 42.7 | Very low | 41.6 | Very low | 111 Ų | 111 | 106.8 Ų | 106.8 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.1 | -29.5 | 175 | -82 | -2.3 | 0 | 0 | 0 | 113.3 | K843 N851 | K843-N847 PolarHBondContact O-N 3.09Å; N847-N851 PolarHBondContact O-ND2 2.96Å |
| 848 | N | 41.4 | Very low | 40.3 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75 | -31.6 | 175 | -73.7 | -26 | 0 | 0 | 0 | 112.8 | I844 N845 N846 | I844-N848 PolarHBondContact O-N 3.38Å; I844-N848 PolarHBondContact O-ND2 2.62Å; N845-N848 PolarHBondContact O-N 2.94Å; N846-N848 VanDerWaalsContact C-N 3.3Å; N846-N848 PolarHBondContact O-N 2.96Å |
| 849 | N | 36.1 | Very low | 39 | Very low | 109 Ų | 109 | 112.4 Ų | 112.4 | 58% | 0.583 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.1 | -39.1 | 176.4 | -77.8 | -26.5 | 0 | 0 | 0 | 113 | N845 N846 N851 N852 | N845-N849 PolarHBondContact O-N 3.14Å; N846-N849 PolarHBondContact O-N 3.12Å; N849-N851 VanDerWaalsContact C-N 3.3Å; N849-N851 PolarHBondContact O-N 3.28Å; N849-N852 PolarHBondContact O-N 3.46Å |
| 850 | S | 34.3 | Very low | 38 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.1 | -30.9 | 179.9 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | N846 N852 | N846-S850 PolarHBondContact O-N 2.92Å; N846-S850 PolarHBondContact O-OG 2.9Å; S850-N852 VanDerWaalsContact C-N 3.25Å; S850-N852 PolarHBondContact O-N 3.26Å |
| 851 | N | 35.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 118 Ų | 118 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -7 | 179.2 | -83.3 | -54.9 | 0 | 0 | 0 | 114.9 | N847 N849 | N847-N851 PolarHBondContact O-ND2 2.96Å; N849-N851 VanDerWaalsContact C-N 3.3Å; N849-N851 PolarHBondContact O-N 3.28Å |
| 852 | N | 34.2 | Very low | 35.6 | Very low | 135 Ų | 135 | 123 Ų | 123 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -4.5 | 178.3 | -84.4 | -44.4 | 0 | 0 | 0 | 114.8 | N849 S850 | N849-N852 PolarHBondContact O-N 3.46Å; S850-N852 VanDerWaalsContact C-N 3.25Å; S850-N852 PolarHBondContact O-N 3.26Å |
| 853 | N | 28.5 | Very low | 34.7 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -105 | -2.9 | -174.7 | -85.8 | -24.2 | 0 | 0 | 0 | 115.8 | ||
| 854 | N | 29.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -110.9 | 60.6 | 179.1 | -88.1 | -22.1 | 0 | 0 | 0 | 112.7 | ||
| 855 | N | 27.7 | Very low | 32.3 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -161.1 | 80 | 162.7 | -108.9 | -35.9 | 0 | 0 | 0 | 112.6 | ||||
| 856 | N | 26.7 | Very low | 31.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -171.2 | 109.2 | 150.6 | -104 | -38.7 | 0 | 0 | 0 | 111.8 | ||||
| 857 | N | 30.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -160.1 | 118.1 | 141.7 | -113.5 | -35.6 | 0 | 0 | 0 | 112.5 | ||||
| 858 | N | 31.1 | Very low | 29.6 | Very low | 119 Ų | 119 | 135 Ų | 135 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | 72.7 | 89 | 154.3 | -59.1 | -41.7 | 0 | 0 | 0 | 121.8 | ||||
| 859 | N | 28.4 | Very low | 28.7 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | 70.4 | 148.9 | 116.2 | -51 | -27.9 | 0 | 0 | 0 | 119.2 | |||||
| 860 | N | 27.2 | Very low | 28.3 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | cis | -158.1 | 176.8 | 20.2 | -150.4 | -12.4 | 0 | 0 | 0 | 114.4 | ||||
| 861 | V | 30.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 85.7 | 79 | 163.5 | -159.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 862 | N | 25.7 | Very low | 27.1 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | 49.2 | 112.5 | 124.2 | -59 | -24.5 | 0 | 0 | 0 | 121.5 | |||||
| 863 | K | 28.3 | Very low | 26.7 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | -155.8 | 118.8 | 94 | -108.4 | 176.3 | -178.4 | 176.4 | 0 | 113.9 | |||||
| 864 | Q | 26.2 | Very low | 26.6 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | 29.8 | 144.3 | 127 | -67.8 | 171.5 | -47.7 | 0 | 0 | 120.9 | |||||
| 865 | S | 25.7 | Very low | 26.4 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | 180 | 132 | -18.8 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 866 | N | 27.6 | Very low | 26.2 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | 177.8 | 103.2 | 123 | -91.1 | -0.3 | 0 | 0 | 0 | 110.3 | |||||
| 867 | L | 23.3 | Very low | 26.2 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -106.1 | 162.8 | 177.5 | -86.5 | 165 | 0 | 0 | 0 | 110.1 | ||||
| 868 | N | 22.7 | Very low | 25.9 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | 93.6 | 139.8 | 130.9 | -89.9 | 30.6 | 0 | 0 | 0 | 125.7 | ||||
| 869 | D | 24.3 | Very low | 25.7 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 52% | 0.519 | 71% | 0.712 | S | S | . | * | trans | 72.1 | 126.1 | 135.7 | -62.9 | -20.7 | 0 | 0 | 0 | 121.1 | ||||
| 870 | K | 26.7 | Very low | 25.5 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.735 | 71% | 0.714 | S | S | * | * | cis | -150.7 | 142.8 | 37.4 | -101.6 | 114.5 | -172.5 | 176.2 | 0 | 111.1 | ||||
| 871 | Q | 23.1 | Very low | 25.4 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | 86.4 | 114.1 | 64.8 | -74.1 | -171.4 | -15.9 | 0 | 0 | 117.2 | |||||
| 872 | N | 22.9 | Very low | 25.3 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 64.5 | 113.1 | 131.1 | -57.4 | -10.6 | 0 | 0 | 0 | 123.4 | ||||
| 873 | R | 25.7 | Very low | 25.4 | Very low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | trans | 154.1 | 146.1 | 131 | -86.5 | 169.5 | -179.2 | -160.5 | 0.1 | 109.8 | ||||
| 874 | S | 24.9 | Very low | 25.5 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | cis | -167.1 | 163.4 | -14.4 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 875 | K | 24.6 | Very low | 25.8 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -12.8 | 156.2 | 156.1 | -66.5 | 171 | 156.5 | -121.5 | 0 | 118 | ||||
| 876 | Q | 24.4 | Very low | 26 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | cis | -164.3 | 167.1 | -2 | -105.3 | 171.1 | -94.4 | 0 | 0 | 105.2 | ||||
| 877 | T | 26.4 | Very low | 26.4 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 49% | 0.491 | 71% | 0.707 | S | S | . | * | -156.1 | 176.8 | 54.5 | 32.1 | 0 | 0 | 0 | 0 | 113.9 | S536 | S536-T877 PolarHBondContact OG-OG1 3.44Š| |||
| 878 | D | 25 | Very low | 27 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | trans | -92.3 | 162.4 | -164.2 | -43.1 | -95.4 | 0 | 0 | 0 | 115.3 | ||||
| 879 | D | 25.8 | Very low | 27.9 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | -157.7 | 168.4 | 128.3 | -138.4 | -33.7 | 0 | 0 | 0 | 112.4 | |||||
| 880 | H | 25.2 | Very low | 28.9 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -93.5 | 157.5 | -148.2 | -80.3 | -85.8 | 0 | 0 | 0 | 119.9 | ||||
| 881 | S | 23.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | 105.6 | 150.5 | 143.6 | 81 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 882 | T | 29 | Very low | 30.9 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 85% | 0.847 | 65% | 0.65 | S | S | * | * | trans | 75.1 | 39.7 | 172 | 63.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 883 | V | 29.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | trans | -135.3 | 68.2 | 167.4 | -164.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 884 | D | 29.6 | Very low | 34.1 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -137.3 | -16 | 171.8 | -97 | -49.3 | 0 | 0 | 0 | 115.4 | ||
| 885 | S | 32 | Very low | 36 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -4.3 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | N889 | S885-N889 PolarHBondContact O-ND2 3.09Š|
| 886 | M | 30.6 | Very low | 37.9 | Very low | 150 Ų | 150 | 108.2 Ų | 108.2 | 74% | 0.739 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -22.7 | -179.8 | -78 | -170.9 | 162.4 | 0 | 0 | 114.7 | ||
| 887 | Y | 35.5 | Very low | 40 | Very low | 174 Ų | 174 | 103.2 Ų | 103.2 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -83.7 | -32.5 | -178.6 | -96.4 | -83.7 | 0 | 0 | 0 | 113.8 | N889 | Y887-N889 PolarHBondContact O-N 3.24Å |
| 888 | S | 37.2 | Very low | 42.2 | Very low | 61 Ų | 61 | 101.2 Ų | 101.2 | 43% | 0.427 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | H890 N892 | S888-H890 PolarHBondContact O-N 3.36Å; S888-N892 PolarHBondContact O-ND2 2.69Å; S888-N892 VanDerWaalsContact O-ND2 3.09Å |
| 889 | N | 40.5 | Very low | 44.5 | Very low | 101 Ų | 101 | 95.7 Ų | 95.7 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -32.7 | -178.8 | -75.2 | -53.1 | 0 | 0 | 0 | 113.3 | S885 Y887 | S885-N889 PolarHBondContact O-ND2 3.09Å; Y887-N889 PolarHBondContact O-N 3.24Å |
| 890 | H | 44.8 | Very low | 46.7 | Very low | 144 Ų | 144 | 91.5 Ų | 91.5 | 67% | 0.667 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -76.1 | -22.2 | -178 | -91.4 | -52.6 | 0 | 0 | 0 | 114.9 | S888 | S888-H890 PolarHBondContact O-N 3.36Å |
| 891 | I | 44.8 | Very low | 48.9 | Very low | 67 Ų | 67 | 88.4 Ų | 88.4 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80 | -35 | -178.8 | -62.5 | 172.7 | 0 | 0 | 0 | 111.1 | D893 Q894 | I891-D893 VanDerWaalsContact C-N 3.35Å; I891-D893 PolarHBondContact O-N 3.2Å; I891-Q894 WeakPolarHBondContact O-CB 3.37Å; I891-Q894 PolarHBondContact O-N 3.16Å; I891-Q894 VanDerWaalsContact O-N 3.08Å |
| 892 | N | 48.4 | Very low | 51.3 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 17% | 0.166 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | -178.3 | -68.8 | -45.9 | 0 | 0 | 0 | 113.2 | S888 Q894 | S888-N892 PolarHBondContact O-ND2 2.69Å; S888-N892 VanDerWaalsContact O-ND2 3.09Å; N892-Q894 PolarHBondContact O-N 3.44Å |
| 893 | D | 54.2 | Low | 53.3 | Low | 119 Ų | 119 | 77.9 Ų | 77.9 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.4 | -26.2 | 173.9 | -82.3 | -18.6 | 0 | 0 | 0 | 112.7 | I891 G897 | I891-D893 VanDerWaalsContact C-N 3.35Å; I891-D893 PolarHBondContact O-N 3.2Å; D893-G897 WeakPolarHBondContact O-CA 3.5Å; D893-G897 PolarHBondContact O-N 2.88Å |
| 894 | Q | 60.8 | Low | 55.3 | Low | 125 Ų | 125 | 77.3 Ų | 77.3 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -74 | -40.3 | -170.1 | -165.9 | 173.8 | 2.6 | 0 | 0 | 112.9 | I891 N892 G897 N898 | I891-Q894 WeakPolarHBondContact O-CB 3.37Å; I891-Q894 PolarHBondContact O-N 3.16Å; I891-Q894 VanDerWaalsContact O-N 3.08Å; N892-Q894 PolarHBondContact O-N 3.44Å; Q894-G897 PolarHBondContact O-N 2.9Å; Q894-N898 VanDerWaalsContact O-CG 3.25Å; Q894-N898 PolarHBondContact O-N 2.82Å; Q894-N898 PolarHBondContact O-OD1 3.32Å |
| 895 | F | 63.7 | Low | 57.4 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.6 | -45.4 | -179.5 | -171.4 | -103.9 | 0 | 0 | 0 | 111.9 | T222 L809 I844 N898 F899 | T222-F895 HydrophobicContact CG2-CE2 4.3Å; L809-F895 HydrophobicContact CB-CE1 4.5Å; L809-F895 HydrophobicContact CD1-CD1 4.37Å; L809-F895 HydrophobicContact CD1-CE1 4.39Å; L809-F895 HydrophobicContact CD2-CD1 4.41Å; I844-F895 HydrophobicContact CD1-CD2 4.49Å; F895-N898 PolarHBondContact O-N 3.03Å; F895-F899 HydrophobicContact CD1-CE2 4.27Å; F895-F899 HydrophobicContact CE1-CD2 4.38Å; F895-F899 AromaticContact CE1-CE2 3.65Å; F895-F899 HydrophobicContact CE1-CE2 3.65Å; F895-F899 AromaticContact CZ-CE2 3.83Å; F895-F899 HydrophobicContact CZ-CE2 3.83Å; F895-F899 HydrophobicContact CZ-CZ 4.34Å; F895-F899 PolarHBondContact O-N 2.97Å |
| 896 | L | 66.4 | Low | 59 | Low | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 174.6 | -164.9 | 65.5 | 0 | 0 | 0 | 111.3 | V262 Y816 N898 F899 Q900 | V262-L896 HydrophobicContact CG2-CD2 4.34Å; Y816-L896 HydrophobicContact CD2-CD1 4.08Å; Y816-L896 HydrophobicContact CE2-CD1 3.57Å; L896-N898 VanDerWaalsContact C-N 3.31Å; L896-N898 PolarHBondContact O-N 3.17Å; L896-F899 PolarHBondContact O-N 2.78Å; L896-Q900 WeakPolarHBondContact O-CG 3.09Å; L896-Q900 PolarHBondContact O-N 3.2Å |
| 897 | G | 67.4 | Low | 60.7 | Low | 16 Ų | 16 | 60.7 Ų | 60.7 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -33.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D893 Q894 Q900 Q901 | D893-G897 WeakPolarHBondContact O-CA 3.5Å; D893-G897 PolarHBondContact O-N 2.88Å; Q894-G897 PolarHBondContact O-N 2.9Å; G897-Q900 PolarHBondContact O-N 3.19Å; G897-Q901 WeakPolarHBondContact O-CB 3.46Å; G897-Q901 VanDerWaalsContact O-CG 3.29Å; G897-Q901 WeakPolarHBondContact O-CG 3.06Å; G897-Q901 PolarHBondContact O-N 2.75Å; G897-Q901 PolarHBondContact O-NE2 3.15Å |
| 898 | N | 73.4 | Confident | 62.2 | Low | 39 Ų | 39 | 59 Ų | 59 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 173.1 | -74.6 | -5.2 | 0 | 0 | 0 | 111.6 | Q894 F895 L896 Q901 L902 | Q894-N898 VanDerWaalsContact O-CG 3.25Å; Q894-N898 PolarHBondContact O-N 2.82Å; Q894-N898 PolarHBondContact O-OD1 3.32Å; F895-N898 PolarHBondContact O-N 3.03Å; L896-N898 VanDerWaalsContact C-N 3.31Å; L896-N898 PolarHBondContact O-N 3.17Å; N898-Q901 PolarHBondContact O-N 2.83Å; N898-L902 WeakPolarHBondContact O-CG 3.37Å; N898-L902 PolarHBondContact O-N 3.32Å |
| 899 | F | 71.9 | Confident | 63.4 | Low | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 173.8 | -73.1 | -55.1 | 0 | 0 | 0 | 112.5 | T222 P810 L813 Y816 F895 L896 Q901 L902 E903 | T222-F899 HydrophobicContact CG2-CZ 4.26Å; P810-F899 HydrophobicContact CG-CE2 4.4Å; L813-F899 HydrophobicContact CB-CD1 4.16Å; L813-F899 HydrophobicContact CB-CE1 4.22Å; L813-F899 HydrophobicContact CD1-CB 4.45Å; L813-F899 HydrophobicContact CD1-CD1 3.94Å; Y816-F899 HydrophobicContact CD1-CB 3.84Å; Y816-F899 HydrophobicContact CE1-CB 4.09Å; Y816-F899 HydrophobicContact CG-CB 4.19Å; F895-F899 HydrophobicContact CD1-CE2 4.27Å; F895-F899 HydrophobicContact CE1-CD2 4.38Å; F895-F899 AromaticContact CE1-CE2 3.65Å; F895-F899 HydrophobicContact CE1-CE2 3.65Å; F895-F899 AromaticContact CZ-CE2 3.83Å; F895-F899 HydrophobicContact CZ-CE2 3.83Å; F895-F899 HydrophobicContact CZ-CZ 4.34Å; F895-F899 PolarHBondContact O-N 2.97Å; L896-F899 PolarHBondContact O-N 2.78Å; F899-Q901 VanDerWaalsContact C-N 3.32Å; F899-Q901 PolarHBondContact O-N 2.81Å; F899-L902 HydrophobicContact CD1-CD1 4.04Å; F899-L902 PolarHBondContact O-N 3.15Å; F899-E903 WeakPolarHBondContact O-CB 3.21Å; F899-E903 PolarHBondContact O-N 3.48Å |
| 900 | Q | 71.8 | Confident | 64.4 | Low | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 173.3 | -69.2 | 178.8 | 7.4 | 0 | 0 | 113.2 | E260 Y816 L896 G897 Q904 | E260-Q900 PolarHBondContact OE2-NE2 2.94Å; Y816-Q900 VanDerWaalsContact OH-CG 3.31Å; Y816-Q900 WeakPolarHBondContact OH-CG 3.36Å; L896-Q900 WeakPolarHBondContact O-CG 3.09Å; L896-Q900 PolarHBondContact O-N 3.2Å; G897-Q900 PolarHBondContact O-N 3.19Å; Q900-Q904 VanDerWaalsContact O-CG 3.32Å; Q900-Q904 WeakPolarHBondContact O-CG 3.39Å; Q900-Q904 PolarHBondContact O-N 3.42Å; Q900-Q904 PolarHBondContact O-NE2 3.18Å |
| 901 | Q | 72.9 | Confident | 64.8 | Low | 100 Ų | 100 | 51.9 Ų | 51.9 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -74.1 | -41.2 | 171.4 | -76.8 | 172.1 | 64.1 | 0 | 0 | 111.9 | P224 G897 N898 F899 E903 Q904 L905 | P224-Q901 HydrophobicContact CB-CB 4.36Å; P224-Q901 HydrophobicContact CG-CB 4.44Å; G897-Q901 WeakPolarHBondContact O-CB 3.46Å; G897-Q901 VanDerWaalsContact O-CG 3.29Å; G897-Q901 WeakPolarHBondContact O-CG 3.06Å; G897-Q901 PolarHBondContact O-N 2.75Å; G897-Q901 PolarHBondContact O-NE2 3.15Å; N898-Q901 PolarHBondContact O-N 2.83Å; F899-Q901 VanDerWaalsContact C-N 3.32Å; F899-Q901 PolarHBondContact O-N 2.81Å; Q901-E903 VanDerWaalsContact C-N 3.33Å; Q901-E903 PolarHBondContact O-N 2.84Å; Q901-Q904 PolarHBondContact O-N 3.39Å; Q901-L905 VanDerWaalsContact O-CB 3.31Å; Q901-L905 WeakPolarHBondContact O-CB 3.44Å; Q901-L905 PolarHBondContact O-N 3.14Å |
| 902 | L | 73.5 | Confident | 65 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 171.3 | -75.6 | 166.5 | 0 | 0 | 0 | 111.6 | L217 P224 A227 L813 N898 F899 Q904 L905 L906 | L217-L902 HydrophobicContact CD1-CD2 4.03Å; P224-L902 HydrophobicContact CB-CD2 4.25Å; P224-L902 HydrophobicContact CB-CG 4.34Å; A227-L902 HydrophobicContact CB-CD2 3.48Å; A227-L902 VanDerWaalsContact CB-CD2 3.48Å; L813-L902 HydrophobicContact CD1-CB 4.05Å; L813-L902 HydrophobicContact CD2-CB 4.04Å; N898-L902 WeakPolarHBondContact O-CG 3.37Å; N898-L902 PolarHBondContact O-N 3.32Å; F899-L902 HydrophobicContact CD1-CD1 4.04Å; F899-L902 PolarHBondContact O-N 3.15Å; L902-Q904 PolarHBondContact O-N 3.08Å; L902-L905 PolarHBondContact O-N 3.26Å; L902-L906 WeakPolarHBondContact O-CG 3.42Å; L902-L906 PolarHBondContact O-N 3.42Å; L902-L906 VanDerWaalsContact O-N 3.08Å |
| 903 | E | 70.9 | Confident | 65 | Low | 17 Ų | 17 | 51.8 Ų | 51.8 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.8 | -50.1 | 173 | -172.4 | -173.7 | 145.6 | 0 | 0 | 111.4 | L248 M251 L817 K820 F899 Q901 L905 L906 L907 | L248-E903 HydrophobicContact CD1-CG 3.59Å; L248-E903 HydrophobicContact CD2-CG 4.07Å; L248-E903 HydrophobicContact CG-CG 4.39Å; M251-E903 VanDerWaalsContact CE-OE1 3.28Å; M251-E903 WeakPolarHBondContact CE-OE1 3.39Å; L817-E903 HydrophobicContact CD2-CG 4.19Å; K820-E903 IonicContact NZ-OE1 2.72Å; K820-E903 IonicContact NZ-OE2 3.19Å; K820-E903 PolarHBondContact NZ-OE2 3.38Å; F899-E903 WeakPolarHBondContact O-CB 3.21Å; F899-E903 PolarHBondContact O-N 3.48Å; Q901-E903 VanDerWaalsContact C-N 3.33Å; Q901-E903 PolarHBondContact O-N 2.84Å; E903-L905 PolarHBondContact O-N 2.84Å; E903-L906 PolarHBondContact O-N 3.23Å; E903-L907 HydrophobicContact CG-CD1 4.25Å; E903-L907 WeakPolarHBondContact O-CG 3.3Å; E903-L907 PolarHBondContact O-N 3.37Å |
| 904 | Q | 71.1 | Confident | 64.6 | Low | 97 Ų | 97 | 51.8 Ų | 51.8 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 177.8 | -72.4 | 173 | 55.4 | 0 | 0 | 112.9 | Q900 Q901 L902 L906 L907 Q908 | Q900-Q904 VanDerWaalsContact O-CG 3.32Å; Q900-Q904 WeakPolarHBondContact O-CG 3.39Å; Q900-Q904 PolarHBondContact O-N 3.42Å; Q900-Q904 PolarHBondContact O-NE2 3.18Å; Q901-Q904 PolarHBondContact O-N 3.39Å; L902-Q904 PolarHBondContact O-N 3.08Å; Q904-L906 VanDerWaalsContact C-N 3.32Å; Q904-L906 PolarHBondContact O-N 3.37Å; Q904-L907 PolarHBondContact O-N 3.42Å; Q904-Q908 VanDerWaalsContact O-CG 3.28Å; Q904-Q908 WeakPolarHBondContact O-CG 3.42Å; Q904-Q908 PolarHBondContact O-N 3.12Å |
| 905 | L | 72.8 | Confident | 63.9 | Low | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -31.1 | 179 | 178.1 | 150.8 | 0 | 0 | 0 | 113.1 | R228 L231 Q901 L902 E903 R909 | R228-L905 HydrophobicContact CB-CD1 3.79Å; R228-L905 HydrophobicContact CG-CD1 3.95Å; L231-L905 HydrophobicContact CD1-CD2 4.02Å; Q901-L905 VanDerWaalsContact O-CB 3.31Å; Q901-L905 WeakPolarHBondContact O-CB 3.44Å; Q901-L905 PolarHBondContact O-N 3.14Å; L902-L905 PolarHBondContact O-N 3.26Å; E903-L905 PolarHBondContact O-N 2.84Å; L905-R909 PolarHBondContact O-NH1 2.78Å |
| 906 | L | 66.9 | Low | 63 | Low | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.3 | -45.7 | 170.6 | -65.1 | -179.6 | 0 | 0 | 0 | 111.1 | L231 T244 L813 L902 E903 Q904 Q908 R909 C910 | L231-L906 HydrophobicContact CD1-CD2 3.92Å; T244-L906 HydrophobicContact CG2-CD2 4.26Å; L813-L906 HydrophobicContact CD2-CD1 3.82Å; L902-L906 WeakPolarHBondContact O-CG 3.42Å; L902-L906 PolarHBondContact O-N 3.42Å; L902-L906 VanDerWaalsContact O-N 3.08Å; E903-L906 PolarHBondContact O-N 3.23Å; Q904-L906 VanDerWaalsContact C-N 3.32Å; Q904-L906 PolarHBondContact O-N 3.37Å; L906-Q908 VanDerWaalsContact C-N 3.27Å; L906-Q908 PolarHBondContact O-N 3.08Å; L906-R909 PolarHBondContact O-N 3.19Å; L906-C910 PolarHBondContact O-N 2.97Å |
| 907 | L | 66.1 | Low | 61.9 | Low | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.5 | -41 | 176.8 | -78.3 | 171.2 | 0 | 0 | 0 | 113.1 | L248 L252 E903 Q904 R909 C910 Y913 | L248-L907 HydrophobicContact CD2-CD1 4.41Å; L248-L907 HydrophobicContact CD2-CD2 3.76Å; L248-L907 HydrophobicContact CD2-CG 3.65Å; L248-L907 HydrophobicContact CG-CD2 3.83Å; L248-L907 HydrophobicContact CG-CG 4.14Å; L252-L907 HydrophobicContact CD1-CD1 3.92Å; L252-L907 HydrophobicContact CD1-CD2 3.45Å; L252-L907 VanDerWaalsContact CD1-CD2 3.45Å; L252-L907 HydrophobicContact CD1-CG 4.34Å; E903-L907 HydrophobicContact CG-CD1 4.25Å; E903-L907 WeakPolarHBondContact O-CG 3.3Å; E903-L907 PolarHBondContact O-N 3.37Å; Q904-L907 PolarHBondContact O-N 3.42Å; L907-R909 PolarHBondContact O-N 2.97Å; L907-C910 PolarHBondContact O-N 2.98Å; L907-Y913 HydrophobicContact CB-CD2 3.86Å; L907-Y913 HydrophobicContact CB-CE2 3.95Å; L907-Y913 HydrophobicContact CD1-CE2 4.18Å; L907-Y913 HydrophobicContact CD2-CD2 4.16Å; L907-Y913 HydrophobicContact CG-CD2 4.43Å; L907-Y913 HydrophobicContact CG-CE2 4.45Å; L907-Y913 VanDerWaalsContact O-CB 3.32Å; L907-Y913 WeakPolarHBondContact O-CB 3.33Å |
| 908 | Q | 66.1 | Low | 60.8 | Low | 139 Ų | 139 | 51.9 Ų | 51.9 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.2 | 178.2 | -74 | 173.6 | 21.1 | 0 | 0 | 114.2 | Q904 L906 | Q904-Q908 VanDerWaalsContact O-CG 3.28Å; Q904-Q908 WeakPolarHBondContact O-CG 3.42Å; Q904-Q908 PolarHBondContact O-N 3.12Å; L906-Q908 VanDerWaalsContact C-N 3.27Å; L906-Q908 PolarHBondContact O-N 3.08Å |
| 909 | R | 63.9 | Low | 59.5 | Low | 37 Ų | 37 | 51.6 Ų | 51.6 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -32.1 | 175.5 | -74.1 | -178.1 | 164.1 | 77.2 | -7.2 | 113.2 | E235 R241 L905 L906 L907 R911 | E235-R909 IonicContact OE2-CZ 3.02Å; E235-R909 IonicContact OE2-NE 2.9Å; E235-R909 PolarHBondContact OE2-NE 3.39Å; E235-R909 IonicContact OE2-NH2 3.75Å; R241-R909 PolarHBondContact NH2-O 2.68Å; L905-R909 PolarHBondContact O-NH1 2.78Å; L906-R909 PolarHBondContact O-N 3.19Å; L907-R909 PolarHBondContact O-N 2.97Å; R909-R911 PolarHBondContact O-N 3.01Å |
| 910 | C | 61.6 | Low | 58.3 | Low | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -59.5 | 126 | -179.3 | -66.3 | 0 | 0 | 0 | 0 | 112 | E243 T244 L249 L906 L907 G912 Y913 | E243-C910 WeakPolarHBondContact OE2-CA 3.33Å; T244-C910 PolarHBondContact O-SG 3.23Å; T244-C910 PolarHBondContact OG1-SG 3.4Å; L249-C910 HydrophobicContact CD1-CB 4.3Å; L906-C910 PolarHBondContact O-N 2.97Å; L907-C910 PolarHBondContact O-N 2.98Å; C910-G912 PolarHBondContact O-N 3.37Å; C910-Y913 PolarHBondContact O-N 3.03Å |
| 911 | R | 51.4 | Low | 57.1 | Low | 108 Ų | 108 | 59.5 Ų | 59.5 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.7 | -179.2 | -111.4 | 172.3 | 169.5 | 164 | -4.8 | 115.5 | R5 E243 R909 | R5-R911 VanDerWaalsContact NH2-CZ 3.26Å; R5-R911 VanDerWaalsContact NH2-NH1 3.16Å; R5-R911 VanDerWaalsContact NH2-NH2 3.15Å; E243-R911 WeakPolarHBondContact OE1-CD 3.36Å; E243-R911 WeakPolarHBondContact OE1-CG 3.45Å; E243-R911 PolarHBondContact OE2-N 3.26Å; R909-R911 PolarHBondContact O-N 3.01Å |
| 912 | G | 50.3 | Low | 56.2 | Low | 19 Ų | 19 | 56.5 Ų | 56.5 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | C910 N914 V915 F916 | C910-G912 PolarHBondContact O-N 3.37Å; G912-N914 PolarHBondContact O-N 2.99Å; G912-V915 VanDerWaalsContact O-CB 3.28Å; G912-V915 WeakPolarHBondContact O-CB 3.34Å; G912-V915 PolarHBondContact O-N 3.41Å; G912-F916 WeakPolarHBondContact O-CD2 3.34Å |
| 913 | Y | 48.6 | Very low | 55.3 | Low | 77 Ų | 77 | 60.5 Ų | 60.5 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | -164.6 | -177.9 | -105.8 | 0 | 0 | 0 | 114.6 | L252 L907 C910 V915 F916 A917 | L252-Y913 HydrophobicContact CD1-CD2 4.47Å; L252-Y913 HydrophobicContact CD1-CE2 4.43Å; L907-Y913 HydrophobicContact CB-CD2 3.86Å; L907-Y913 HydrophobicContact CB-CE2 3.95Å; L907-Y913 HydrophobicContact CD1-CE2 4.18Å; L907-Y913 HydrophobicContact CD2-CD2 4.16Å; L907-Y913 HydrophobicContact CG-CD2 4.43Å; L907-Y913 HydrophobicContact CG-CE2 4.45Å; L907-Y913 VanDerWaalsContact O-CB 3.32Å; L907-Y913 WeakPolarHBondContact O-CB 3.33Å; C910-Y913 PolarHBondContact O-N 3.03Å; Y913-V915 PolarHBondContact O-N 2.58Å; Y913-V915 VanDerWaalsContact O-N 3.14Å; Y913-F916 PolarHBondContact O-N 3.5Å; Y913-F916 VanDerWaalsContact O-N 3.14Å; Y913-A917 PolarHBondContact O-N 3.2Å |
| 914 | N | 44.9 | Very low | 54.5 | Low | 119 Ų | 119 | 63.4 Ų | 63.4 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -24.6 | 177.8 | -64.6 | -19.2 | 0 | 0 | 0 | 113.1 | G912 | G912-N914 PolarHBondContact O-N 2.99Å |
| 915 | V | 46.5 | Very low | 53.7 | Low | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.6 | -30.4 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | G912 Y913 K1033 | G912-V915 VanDerWaalsContact O-CB 3.28Å; G912-V915 WeakPolarHBondContact O-CB 3.34Å; G912-V915 PolarHBondContact O-N 3.41Å; Y913-V915 PolarHBondContact O-N 2.58Å; Y913-V915 VanDerWaalsContact O-N 3.14Å; V915-K1033 HydrophobicContact CG1-CD 3.7Å |
| 916 | F | 44.3 | Very low | 53.1 | Low | 39 Ų | 39 | 64.9 Ų | 64.9 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -91.8 | -28.7 | -179 | -64.7 | -75.8 | 0 | 0 | 0 | 113 | L249 G912 Y913 D918 E919 | L249-F916 HydrophobicContact CD1-CE2 4.34Å; L249-F916 HydrophobicContact CD2-CE2 4.4Å; L249-F916 HydrophobicContact CG-CE2 4.16Å; G912-F916 WeakPolarHBondContact O-CD2 3.34Å; Y913-F916 PolarHBondContact O-N 3.5Å; Y913-F916 VanDerWaalsContact O-N 3.14Å; F916-D918 VanDerWaalsContact C-N 3.33Å; F916-D918 PolarHBondContact O-N 3.39Å; F916-E919 PolarHBondContact O-N 2.67Å |
| 917 | A | 43.9 | Very low | 52.7 | Low | 47 Ų | 47 | 64.2 Ų | 64.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y913 E919 | Y913-A917 PolarHBondContact O-N 3.2Å; A917-E919 VanDerWaalsContact C-N 3.3Å; A917-E919 PolarHBondContact O-N 3.23Å |
| 918 | D | 44.4 | Very low | 52.6 | Low | 84 Ų | 84 | 65.8 Ų | 65.8 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -77.5 | -7.5 | -175.1 | -72.4 | -5.8 | 0 | 0 | 0 | 113.8 | F916 H920 S996 | F916-D918 VanDerWaalsContact C-N 3.33Å; F916-D918 PolarHBondContact O-N 3.39Å; D918-H920 PolarHBondContact O-N 3.41Å; D918-S996 WeakPolarHBondContact OD2-CB 3.5Å; D918-S996 PolarHBondContact OD2-OG 2.97Å |
| 919 | E | 45.8 | Very low | 52.2 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -68.1 | -13.2 | 175.1 | -67.5 | -153.1 | 152.3 | 0 | 0 | 113.4 | F916 A917 K1034 K1037 | F916-E919 PolarHBondContact O-N 2.67Å; A917-E919 VanDerWaalsContact C-N 3.3Å; A917-E919 PolarHBondContact O-N 3.23Å; E919-K1034 WeakPolarHBondContact O-CD 3.23Å; E919-K1034 WeakPolarHBondContact O-CE 3.42Å; E919-K1034 PolarHBondContact O-NZ 2.96Å; E919-K1037 IonicContact OE1-NZ 3.82Å; E919-K1037 PolarHBondContact OE1-NZ 3.2Å; E919-K1037 IonicContact OE2-NZ 3.9Å; E919-K1037 PolarHBondContact OE2-NZ 3.25Å |
| 920 | H | 46.1 | Very low | 52.2 | Low | 146 Ų | 146 | 69.1 Ų | 69.1 | 68% | 0.676 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -93.1 | -8.1 | -174.5 | -68.9 | -73.8 | 0 | 0 | 0 | 115.5 | D918 | D918-H920 PolarHBondContact O-N 3.41Š|
| 921 | A | 47.6 | Very low | 52.2 | Low | 90 Ų | 90 | 70.4 Ų | 70.4 | 74% | 0.744 | 38% | 0.38 | S | S | * | . | trans | -94.2 | -0 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 922 | I | 52.9 | Low | 52.5 | Low | 37 Ų | 37 | 70.1 Ų | 70.1 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | trans | -102.4 | 120.2 | -171.4 | -51.8 | 179.3 | 0 | 0 | 0 | 111.6 | V927 C1032 K1034 | I922-V927 HydrophobicContact CG2-CG2 3.76Å; I922-C1032 WeakPolarHBondContact CD1-SG 3.21Å; I922-K1034 HydrophobicContact CD1-CB 4.18Å; I922-K1034 HydrophobicContact CD1-CD 4.28Å | ||
| 923 | D | 54.6 | Low | 52.9 | Low | 85 Ų | 85 | 71 Ų | 71 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | trans | -65.9 | 126.8 | 175.3 | -172.9 | -46.3 | 0 | 0 | 0 | 111.5 | T925 V926 | D923-T925 PolarHBondContact O-N 3.08Å; D923-T925 VanDerWaalsContact OD1-CB 3.29Å; D923-T925 WeakPolarHBondContact OD1-CB 3.34Å; D923-T925 WeakPolarHBondContact OD1-CG2 3.45Å; D923-T925 PolarHBondContact OD1-N 2.93Å; D923-T925 PolarHBondContact OD1-OG1 2.68Å; D923-V926 HydrophobicContact CB-CG2 4.28Å; D923-V926 PolarHBondContact O-N 2.66Å; D923-V926 VanDerWaalsContact O-N 3.16Å | ||
| 924 | P | 53.9 | Low | 53.4 | Low | 79 Ų | 79 | 69.1 Ų | 69.1 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -24 | -178.4 | 26.1 | -35.1 | 0 | 0 | 0 | 114 | V926 V927 | P924-V926 PolarHBondContact O-N 3.2Å; P924-V927 PolarHBondContact O-N 3.13Å |
| 925 | T | 54.8 | Low | 54.3 | Low | 92 Ų | 92 | 67.1 Ų | 67.1 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -72.2 | -16 | 178.8 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | D923 | D923-T925 PolarHBondContact O-N 3.08Å; D923-T925 VanDerWaalsContact OD1-CB 3.29Å; D923-T925 WeakPolarHBondContact OD1-CB 3.34Å; D923-T925 WeakPolarHBondContact OD1-CG2 3.45Å; D923-T925 PolarHBondContact OD1-N 2.93Å; D923-T925 PolarHBondContact OD1-OG1 2.68Å |
| 926 | V | 60.4 | Low | 54.6 | Low | 54 Ų | 54 | 66.5 Ų | 66.5 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -89.1 | -36.1 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | D923 P924 D928 K929 | D923-V926 HydrophobicContact CB-CG2 4.28Å; D923-V926 PolarHBondContact O-N 2.66Å; D923-V926 VanDerWaalsContact O-N 3.16Å; P924-V926 PolarHBondContact O-N 3.2Å; V926-D928 PolarHBondContact O-N 2.83Å; V926-K929 PolarHBondContact O-N 2.91Å |
| 927 | V | 59.5 | Low | 54.7 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | I922 P924 K929 I930 L946 L1035 Y1038 | I922-V927 HydrophobicContact CG2-CG2 3.76Å; P924-V927 PolarHBondContact O-N 3.13Å; V927-K929 PolarHBondContact O-N 2.76Å; V927-I930 PolarHBondContact O-N 2.74Å; V927-L946 HydrophobicContact CG1-CB 4.35Å; V927-L946 HydrophobicContact CG1-CD2 3.87Å; V927-L946 HydrophobicContact CG1-CG 4.49Å; V927-L1035 HydrophobicContact CB-CD2 4.46Å; V927-L1035 HydrophobicContact CG1-CD2 4.06Å; V927-L1035 HydrophobicContact CG2-CD2 4.22Å; V927-Y1038 HydrophobicContact CG1-CD2 3.86Å; V927-Y1038 HydrophobicContact CG1-CE2 4.05Å; V927-Y1038 HydrophobicContact CG1-CG 4.33Å; V927-Y1038 HydrophobicContact CG2-CE2 4.47Å |
| 928 | D | 62.3 | Low | 55.1 | Low | 39 Ų | 39 | 72.7 Ų | 72.7 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 13.2 | -177.6 | -72.3 | -29.2 | 0 | 0 | 0 | 114.9 | V926 L946 S947 | V926-D928 PolarHBondContact O-N 2.83Å; D928-L946 WeakPolarHBondContact OD1-CA 3.3Å; D928-L946 WeakPolarHBondContact OD1-CB 3.47Å; D928-L946 PolarHBondContact OD1-N 3.02Å; D928-S947 VanDerWaalsContact CG-OG 3.3Å; D928-S947 WeakPolarHBondContact OD1-CB 3.38Å; D928-S947 PolarHBondContact OD1-N 3.2Å; D928-S947 PolarHBondContact OD1-OG 3.06Å; D928-S947 WeakPolarHBondContact OD2-CB 3.47Å; D928-S947 PolarHBondContact OD2-OG 2.57Å |
| 929 | K | 58.9 | Low | 55.5 | Low | 172 Ų | 172 | 74.2 Ų | 74.2 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -9.7 | 173.5 | -62.4 | 179.8 | -177.3 | 173.8 | 0 | 114 | V926 V927 | V926-K929 PolarHBondContact O-N 2.91Å; V927-K929 PolarHBondContact O-N 2.76Å |
| 930 | I | 63.3 | Low | 55.6 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -29.3 | -169.8 | -66.7 | 169 | 0 | 0 | 0 | 112.1 | V927 M1030 L1035 | V927-I930 PolarHBondContact O-N 2.74Å; I930-M1030 HydrophobicContact CG2-CE 4.35Å; I930-M1030 HydrophobicContact CG2-SD 4.02Å; I930-L1035 HydrophobicContact CD1-CD1 3.66Å; I930-L1035 HydrophobicContact CD1-CD2 3.69Å; I930-L1035 HydrophobicContact CD1-CG 4.35Å |
| 931 | L | 60.9 | Low | 55.9 | Low | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.199 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -126.8 | 139.8 | 170.6 | -78.5 | 166.3 | 0 | 0 | 0 | 108.8 | L946 M1030 | L931-L946 HydrophobicContact CB-CD1 4.12Å; L931-L946 HydrophobicContact CB-CD2 4.49Å; L931-L946 HydrophobicContact CD1-CD1 3.77Å; L931-L946 HydrophobicContact CD1-CD2 4.19Å; L931-M1030 HydrophobicContact CD1-CE 3.98Å; L931-M1030 HydrophobicContact CD2-CE 4.43Å; L931-M1030 HydrophobicContact CG-CE 4.15Å |
| 932 | P | 57.9 | Low | 56.2 | Low | 103 Ų | 103 | 71.1 Ų | 71.1 | 67% | 0.669 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 140 | 179.1 | 27.9 | -33.9 | 0 | 0 | 0 | 110.9 | F1042 | P932-F1042 WeakPolarHBondContact O-CZ 3.48Š|
| 933 | P | 59.3 | Low | 56.7 | Low | 36 Ų | 36 | 74.6 Ų | 74.6 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 140.5 | 178.3 | 29.2 | -36.5 | 0 | 0 | 0 | 111.7 | F935 K943 F944 | P933-F935 HydrophobicContact CB-CE2 4.38Å; P933-F935 HydrophobicContact CG-CE2 3.7Å; P933-F935 HydrophobicContact CG-CZ 3.87Å; P933-F935 VanDerWaalsContact O-CD2 3.3Å; P933-F935 WeakPolarHBondContact O-CD2 2.96Å; P933-F935 WeakPolarHBondContact O-CE2 3.41Å; P933-K943 HydrophobicContact CB-CD 4.31Å; P933-K943 HydrophobicContact CB-CG 3.61Å; P933-K943 HydrophobicContact CG-CD 4.39Å; P933-K943 HydrophobicContact CG-CG 3.97Å; P933-F944 WeakPolarHBondContact CA-O 3.03Å; P933-F944 WeakPolarHBondContact CB-O 3.27Å |
| 934 | I | 59.9 | Low | 57 | Low | 39 Ų | 39 | 70.8 Ų | 70.8 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 137.8 | 172.5 | -64.1 | 156.7 | 0 | 0 | 0 | 109.1 | F944 F1042 H1046 W1058 | I934-F944 PolarHBondContact O-N 3.32Å; I934-F1042 HydrophobicContact CB-CZ 4.29Å; I934-F1042 HydrophobicContact CD1-CD1 3.97Å; I934-F1042 HydrophobicContact CD1-CD2 4.44Å; I934-F1042 HydrophobicContact CD1-CE1 3.46Å; I934-F1042 VanDerWaalsContact CD1-CE1 3.46Å; I934-F1042 HydrophobicContact CD1-CE2 4Å; I934-F1042 HydrophobicContact CD1-CG 4.46Å; I934-F1042 HydrophobicContact CD1-CZ 3.5Å; I934-F1042 HydrophobicContact CG1-CE1 3.71Å; I934-F1042 HydrophobicContact CG1-CE2 4.29Å; I934-F1042 HydrophobicContact CG1-CZ 3.51Å; I934-H1046 HydrophobicContact CD1-CB 4.31Å; I934-W1058 HydrophobicContact CB-CH2 4.48Å; I934-W1058 HydrophobicContact CB-CZ2 4.2Å; I934-W1058 HydrophobicContact CG2-CH2 3.93Å; I934-W1058 HydrophobicContact CG2-CZ2 3.72Å |
| 935 | F | 64.2 | Low | 57.7 | Low | 76 Ų | 76 | 68.1 Ų | 68.1 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | trans | -124.2 | 104.9 | 172.7 | -59.3 | -92.9 | 0 | 0 | 0 | 110 | P933 R937 G938 K943 | P933-F935 HydrophobicContact CB-CE2 4.38Å; P933-F935 HydrophobicContact CG-CE2 3.7Å; P933-F935 HydrophobicContact CG-CZ 3.87Å; P933-F935 VanDerWaalsContact O-CD2 3.3Å; P933-F935 WeakPolarHBondContact O-CD2 2.96Å; P933-F935 WeakPolarHBondContact O-CE2 3.41Å; F935-R937 PolarHBondContact O-N 2.64Å; F935-R937 VanDerWaalsContact O-N 3.12Å; F935-G938 WeakPolarHBondContact CB-O 3.2Å; F935-G938 PolarHBondContact O-N 2.9Å; F935-K943 HydrophobicContact CD1-CB 4.36Å; F935-K943 HydrophobicContact CE1-CB 3.82Å; F935-K943 HydrophobicContact CE1-CG 3.95Å; F935-K943 HydrophobicContact CZ-CG 4.13Å | ||
| 936 | P | 51.6 | Low | 58.5 | Low | 30 Ų | 30 | 64 Ų | 64 | 20% | 0.195 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.7 | -172.1 | 29.2 | -34.1 | 0 | 0 | 0 | 114.2 | P942 Y1049 W1058 | P936-P942 HydrophobicContact CG-CG 4.32Å; P936-Y1049 HydrophobicContact CB-CE1 4.24Å; P936-W1058 HydrophobicContact CB-CZ2 4.24Å; P936-W1058 HydrophobicContact CG-CZ2 3.96Å |
| 937 | R | 46.1 | Very low | 59 | Low | 184 Ų | 184 | 63 Ų | 63 | 69% | 0.694 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 34 | 174.8 | -69.8 | -174.4 | 172 | 150.2 | 1 | 112.5 | F935 S1056 | F935-R937 PolarHBondContact O-N 2.64Å; F935-R937 VanDerWaalsContact O-N 3.12Å; R937-S1056 PolarHBondContact NH2-OG 3.44Å |
| 938 | G | 51.9 | Low | 59.7 | Low | 33 Ų | 33 | 69.1 Ų | 69.1 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 71.8 | -177 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F935 C940 G941 | F935-G938 WeakPolarHBondContact CB-O 3.2Å; F935-G938 PolarHBondContact O-N 2.9Å; G938-C940 PolarHBondContact O-N 3.23Å; G938-G941 PolarHBondContact O-N 2.82Å |
| 939 | P | 53.9 | Low | 60.4 | Low | 116 Ų | 116 | 67.2 Ų | 67.2 | 75% | 0.753 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.5 | -159.6 | 24.3 | -35.4 | 0 | 0 | 0 | 116.9 | ||
| 940 | C | 47.2 | Very low | 61.3 | Low | 130 Ų | 130 | 60.5 Ų | 60.5 | 88% | 0.878 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 1.5 | 174.6 | -58 | 0 | 0 | 0 | 0 | 113.7 | G938 | G938-C940 PolarHBondContact O-N 3.23Š|
| 941 | G | 53.3 | Low | 61.8 | Low | 19 Ų | 19 | 62.1 Ų | 62.1 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -77.7 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G938 K943 | G938-G941 PolarHBondContact O-N 2.82Å; G941-K943 PolarHBondContact O-N 3.39Å; G941-K943 VanDerWaalsContact O-N 3.1Å |
| 942 | P | 52.9 | Low | 62.5 | Low | 56 Ų | 56 | 61.6 Ų | 61.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | trans | -62.8 | 113.3 | 177.7 | 25.1 | -32.7 | 0 | 0 | 0 | 111.2 | P936 F944 S1056 W1058 | P936-P942 HydrophobicContact CG-CG 4.32Å; P942-F944 PolarHBondContact O-N 2.89Å; P942-S1056 WeakPolarHBondContact CG-O 3.15Å; P942-W1058 PolarHBondContact O-NE1 2.87Å | ||
| 943 | K | 63 | Low | 63.5 | Low | 109 Ų | 109 | 56.7 Ų | 56.7 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | trans | -69.4 | 111.4 | -177.4 | -175.1 | -157.6 | 179.1 | -152.1 | 0 | 111 | P933 F935 G941 C945 | P933-K943 HydrophobicContact CB-CD 4.31Å; P933-K943 HydrophobicContact CB-CG 3.61Å; P933-K943 HydrophobicContact CG-CD 4.39Å; P933-K943 HydrophobicContact CG-CG 3.97Å; F935-K943 HydrophobicContact CD1-CB 4.36Å; F935-K943 HydrophobicContact CE1-CB 3.82Å; F935-K943 HydrophobicContact CE1-CG 3.95Å; F935-K943 HydrophobicContact CZ-CG 4.13Å; G941-K943 PolarHBondContact O-N 3.39Å; G941-K943 VanDerWaalsContact O-N 3.1Å; K943-C945 PolarHBondContact NZ-SG 3.49Å | ||
| 944 | F | 62.9 | Low | 64.3 | Low | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | trans | -80.4 | 129.7 | 169 | -163.7 | -116.1 | 0 | 0 | 0 | 111.6 | P933 I934 P942 K948 A949 I952 F1042 I1045 W1058 | P933-F944 WeakPolarHBondContact CA-O 3.03Å; P933-F944 WeakPolarHBondContact CB-O 3.27Å; I934-F944 PolarHBondContact O-N 3.32Å; P942-F944 PolarHBondContact O-N 2.89Å; F944-K948 HydrophobicContact CE2-CB 4.01Å; F944-K948 HydrophobicContact CZ-CB 4.13Å; F944-A949 HydrophobicContact CE1-CB 4.08Å; F944-A949 HydrophobicContact CZ-CB 4.27Å; F944-I952 HydrophobicContact CE2-CD1 3.53Å; F944-I952 HydrophobicContact CE2-CG1 4.48Å; F944-I952 HydrophobicContact CZ-CD1 4.02Å; F944-F1042 AromaticContact CD1-CD2 3.81Å; F944-F1042 HydrophobicContact CD1-CD2 3.81Å; F944-F1042 AromaticContact CD1-CE2 3.74Å; F944-F1042 HydrophobicContact CD1-CE2 3.74Å; F944-F1042 AromaticContact CE1-CD2 3.97Å; F944-F1042 HydrophobicContact CE1-CD2 3.97Å; F944-F1042 HydrophobicContact CE1-CE2 4.35Å; F944-I1045 HydrophobicContact CD1-CG2 4.15Å; F944-I1045 HydrophobicContact CE1-CB 4.48Å; F944-I1045 HydrophobicContact CE1-CD1 3.7Å; F944-I1045 HydrophobicContact CE1-CG2 3.85Å; F944-I1045 HydrophobicContact CZ-CD1 3.56Å; F944-I1045 HydrophobicContact CZ-CG2 4.29Å; F944-W1058 HydrophobicContact CB-CD2 4.25Å; F944-W1058 HydrophobicContact CB-CG 4.45Å; F944-W1058 HydrophobicContact CB-CZ2 4.14Å; F944-W1058 HydrophobicContact CD2-CB 4.34Å; F944-W1058 HydrophobicContact CD2-CD2 4.29Å; F944-W1058 HydrophobicContact CD2-CG 4.04Å; F944-W1058 HydrophobicContact CG-CD2 4.25Å; F944-W1058 HydrophobicContact CG-CG 4.42Å | ||
| 945 | C | 68.1 | Low | 64.7 | Low | 22 Ų | 22 | 60.6 Ų | 60.6 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | trans | -109.4 | 135.6 | -177.1 | -68.8 | 0 | 0 | 0 | 0 | 110.8 | K943 S947 K948 | K943-C945 PolarHBondContact NZ-SG 3.49Å; C945-S947 PolarHBondContact O-N 3.05Å; C945-K948 PolarHBondContact O-N 3.34Å | ||
| 946 | L | 71.3 | Confident | 65.3 | Low | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -54.6 | -39.1 | -177.3 | -157 | 82 | 0 | 0 | 0 | 112 | V927 D928 L931 K948 A949 Y1038 F1042 | V927-L946 HydrophobicContact CG1-CB 4.35Å; V927-L946 HydrophobicContact CG1-CD2 3.87Å; V927-L946 HydrophobicContact CG1-CG 4.49Å; D928-L946 WeakPolarHBondContact OD1-CA 3.3Å; D928-L946 WeakPolarHBondContact OD1-CB 3.47Å; D928-L946 PolarHBondContact OD1-N 3.02Å; L931-L946 HydrophobicContact CB-CD1 4.12Å; L931-L946 HydrophobicContact CB-CD2 4.49Å; L931-L946 HydrophobicContact CD1-CD1 3.77Å; L931-L946 HydrophobicContact CD1-CD2 4.19Å; L946-K948 PolarHBondContact O-N 2.86Å; L946-K948 VanDerWaalsContact O-N 3.13Å; L946-A949 WeakPolarHBondContact O-CB 3.48Å; L946-A949 PolarHBondContact O-N 2.92Å; L946-Y1038 WeakPolarHBondContact O-CD1 3.27Å; L946-F1042 HydrophobicContact CD1-CB 3.63Å; L946-F1042 HydrophobicContact CD1-CD1 4.09Å; L946-F1042 HydrophobicContact CD1-CD2 3.59Å; L946-F1042 HydrophobicContact CD1-CE2 4.09Å; L946-F1042 HydrophobicContact CD1-CG 3.55Å |
| 947 | S | 71.3 | Confident | 66.2 | Low | 33 Ų | 33 | 56 Ų | 56 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -54.8 | -26.8 | 176.9 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | D928 C945 Y1038 | D928-S947 VanDerWaalsContact CG-OG 3.3Å; D928-S947 WeakPolarHBondContact OD1-CB 3.38Å; D928-S947 PolarHBondContact OD1-N 3.2Å; D928-S947 PolarHBondContact OD1-OG 3.06Å; D928-S947 WeakPolarHBondContact OD2-CB 3.47Å; D928-S947 PolarHBondContact OD2-OG 2.57Å; C945-S947 PolarHBondContact O-N 3.05Å; S947-Y1038 WeakPolarHBondContact O-CE1 3.46Å |
| 948 | K | 73.7 | Confident | 67.1 | Low | 132 Ų | 132 | 51.1 Ų | 51.1 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -88.7 | -14.9 | 178.5 | -70.9 | -173.4 | 175.6 | -176.6 | 0 | 114.4 | F944 C945 L946 I950 N951 I952 | F944-K948 HydrophobicContact CE2-CB 4.01Å; F944-K948 HydrophobicContact CZ-CB 4.13Å; C945-K948 PolarHBondContact O-N 3.34Å; L946-K948 PolarHBondContact O-N 2.86Å; L946-K948 VanDerWaalsContact O-N 3.13Å; K948-I950 PolarHBondContact O-N 2.88Å; K948-N951 PolarHBondContact O-N 3.42Å; K948-N951 VanDerWaalsContact O-N 3.09Å; K948-I952 PolarHBondContact O-N 3.23Å |
| 949 | A | 77.5 | Confident | 67.7 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F944 L946 N951 I952 I953 A1041 I1045 | F944-A949 HydrophobicContact CE1-CB 4.08Å; F944-A949 HydrophobicContact CZ-CB 4.27Å; L946-A949 WeakPolarHBondContact O-CB 3.48Å; L946-A949 PolarHBondContact O-N 2.92Å; A949-N951 VanDerWaalsContact C-N 3.27Å; A949-N951 PolarHBondContact O-N 3.04Å; A949-I952 PolarHBondContact O-N 3.16Å; A949-I953 PolarHBondContact O-N 3.05Å; A949-A1041 HydrophobicContact CB-CB 3.57Å; A949-I1045 HydrophobicContact CB-CD1 3.97Å; A949-I1045 WeakPolarHBondContact O-CD1 3.19Å |
| 950 | I | 78 | Confident | 68.2 | Low | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | -179.2 | -59.5 | 172.9 | 0 | 0 | 0 | 111.6 | K948 N954 W972 K1037 Y1038 A1041 | K948-I950 PolarHBondContact O-N 2.88Å; I950-N954 WeakPolarHBondContact O-CB 3.48Å; I950-N954 VanDerWaalsContact O-CG 3.25Å; I950-N954 PolarHBondContact O-N 3.04Å; I950-N954 PolarHBondContact O-ND2 2.63Å; I950-W972 HydrophobicContact CG1-CH2 4.11Å; I950-W972 HydrophobicContact CG2-CH2 4.46Å; I950-W972 HydrophobicContact CG2-CZ2 4.12Å; I950-K1037 HydrophobicContact CD1-CB 3.98Å; I950-Y1038 HydrophobicContact CD1-CD1 3.65Å; I950-Y1038 HydrophobicContact CD1-CE1 3.64Å; I950-Y1038 HydrophobicContact CD1-CG 4.16Å; I950-Y1038 HydrophobicContact CG1-CD1 3.82Å; I950-Y1038 HydrophobicContact CG1-CE1 3.96Å; I950-A1041 HydrophobicContact CG1-CB 4.05Å |
| 951 | N | 73 | Confident | 68.4 | Low | 107 Ų | 107 | 50.1 Ų | 50.1 | 57% | 0.572 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.8 | -38.6 | -179.3 | -78.4 | 5.7 | 0 | 0 | 0 | 112.7 | K948 A949 N954 Q955 | K948-N951 PolarHBondContact O-N 3.42Å; K948-N951 VanDerWaalsContact O-N 3.09Å; A949-N951 VanDerWaalsContact C-N 3.27Å; A949-N951 PolarHBondContact O-N 3.04Å; N951-N954 PolarHBondContact O-N 2.8Å; N951-Q955 WeakPolarHBondContact O-CB 3.4Å; N951-Q955 WeakPolarHBondContact O-CG 3.43Å; N951-Q955 PolarHBondContact O-N 3.13Å |
| 952 | I | 76.1 | Confident | 68.2 | Low | 26 Ų | 26 | 53.4 Ų | 53.4 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.1 | -66.1 | -167.6 | 0 | 0 | 0 | 110.6 | F944 K948 A949 N954 Q955 Y956 I1045 M1054 | F944-I952 HydrophobicContact CE2-CD1 3.53Å; F944-I952 HydrophobicContact CE2-CG1 4.48Å; F944-I952 HydrophobicContact CZ-CD1 4.02Å; K948-I952 PolarHBondContact O-N 3.23Å; A949-I952 PolarHBondContact O-N 3.16Å; I952-N954 PolarHBondContact O-N 3.25Å; I952-Q955 CarbonylContact O-C 3.03Å; I952-Q955 WeakPolarHBondContact O-CA 3.43Å; I952-Q955 WeakPolarHBondContact O-CB 3.33Å; I952-Q955 PolarHBondContact O-N 3.13Å; I952-Q955 VanDerWaalsContact O-N 3.09Å; I952-Y956 PolarHBondContact O-N 3.11Å; I952-I1045 HydrophobicContact CB-CD1 3.9Å; I952-I1045 HydrophobicContact CG2-CD1 4.1Å; I952-I1045 HydrophobicContact CG2-CG1 4.46Å; I952-M1054 HydrophobicContact CG2-SD 4.12Å |
| 953 | I | 78.8 | Confident | 67.7 | Low | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.8 | -61.7 | -175.3 | 0 | 0 | 0 | 111.5 | A949 Q955 Y956 C957 P970 W972 L1013 L1015 A1041 A1044 I1045 | A949-I953 PolarHBondContact O-N 3.05Å; I953-Q955 VanDerWaalsContact C-N 3.26Å; I953-Q955 PolarHBondContact O-N 3.19Å; I953-Y956 PolarHBondContact O-N 3.09Å; I953-C957 PolarHBondContact O-N 3.15Å; I953-C957 PolarHBondContact O-SG 3.36Å; I953-P970 HydrophobicContact CG2-CB 3.92Å; I953-P970 HydrophobicContact CG2-CG 4.07Å; I953-W972 HydrophobicContact CD1-CH2 4.49Å; I953-L1013 HydrophobicContact CD1-CD2 3.55Å; I953-L1015 HydrophobicContact CG2-CD2 3.62Å; I953-A1041 HydrophobicContact CD1-CB 3.79Å; I953-A1041 WeakPolarHBondContact CD1-O 3.31Å; I953-A1044 HydrophobicContact CD1-CB 3.68Å; I953-I1045 HydrophobicContact CD1-CG1 4.19Å; I953-I1045 HydrophobicContact CG1-CD1 4.06Å; I953-I1045 HydrophobicContact CG1-CG1 3.85Å |
| 954 | N | 74.7 | Confident | 66.7 | Low | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -34.2 | 173.4 | -71.2 | -21.7 | 0 | 0 | 0 | 112.2 | I950 N951 I952 A958 P970 | I950-N954 WeakPolarHBondContact O-CB 3.48Å; I950-N954 VanDerWaalsContact O-CG 3.25Å; I950-N954 PolarHBondContact O-N 3.04Å; I950-N954 PolarHBondContact O-ND2 2.63Å; N951-N954 PolarHBondContact O-N 2.8Å; I952-N954 PolarHBondContact O-N 3.25Å; N954-A958 WeakPolarHBondContact O-CB 3.34Å; N954-A958 PolarHBondContact O-N 3.25Å; N954-A958 VanDerWaalsContact O-N 3.11Å; N954-P970 VanDerWaalsContact OD1-CG 3.22Å; N954-P970 WeakPolarHBondContact OD1-CG 3.29Å |
| 955 | Q | 70.1 | Confident | 65.7 | Low | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -77.1 | -22.8 | 174.6 | -75.8 | -174.2 | 10.9 | 0 | 0 | 114.7 | N951 I952 I953 R959 L1060 | N951-Q955 WeakPolarHBondContact O-CB 3.4Å; N951-Q955 WeakPolarHBondContact O-CG 3.43Å; N951-Q955 PolarHBondContact O-N 3.13Å; I952-Q955 CarbonylContact O-C 3.03Å; I952-Q955 WeakPolarHBondContact O-CA 3.43Å; I952-Q955 WeakPolarHBondContact O-CB 3.33Å; I952-Q955 PolarHBondContact O-N 3.13Å; I952-Q955 VanDerWaalsContact O-N 3.09Å; I953-Q955 VanDerWaalsContact C-N 3.26Å; I953-Q955 PolarHBondContact O-N 3.19Å; Q955-R959 WeakPolarHBondContact O-CG 3.26Å; Q955-R959 PolarHBondContact O-NH1 3.1Å; Q955-R959 VanDerWaalsContact O-NH1 3.08Å; Q955-L1060 HydrophobicContact CB-CD1 4.25Å |
| 956 | Y | 76 | Confident | 64.7 | Low | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.5 | -54.7 | 170.5 | 168.9 | -101.4 | 0 | 0 | 0 | 109.9 | I952 I953 A958 R959 L960 L1015 S1019 S1020 L1048 E1053 L1060 | I952-Y956 PolarHBondContact O-N 3.11Å; I953-Y956 PolarHBondContact O-N 3.09Å; Y956-A958 PolarHBondContact O-N 3.24Å; Y956-R959 PolarHBondContact O-N 3.08Å; Y956-L960 HydrophobicContact CD1-CD1 4.49Å; Y956-L960 HydrophobicContact CE1-CD1 3.99Å; Y956-L960 HydrophobicContact CE1-CD2 4.36Å; Y956-L960 HydrophobicContact CE1-CG 4.41Å; Y956-L960 HydrophobicContact CE2-CD2 4.21Å; Y956-L960 PolarHBondContact O-N 2.77Å; Y956-L1015 HydrophobicContact CE1-CD1 4.13Å; Y956-S1019 WeakPolarHBondContact CE1-OG 3.3Å; Y956-S1019 VanDerWaalsContact OH-CA 3.25Å; Y956-S1019 WeakPolarHBondContact OH-CA 3.34Å; Y956-S1019 VanDerWaalsContact OH-CB 3.29Å; Y956-S1019 WeakPolarHBondContact OH-CB 3.48Å; Y956-S1019 PolarHBondContact OH-OG 2.88Å; Y956-S1020 PolarHBondContact OH-N 2.85Å; Y956-L1048 HydrophobicContact CD1-CD1 3.95Å; Y956-L1048 HydrophobicContact CD2-CD1 4.37Å; Y956-L1048 HydrophobicContact CE1-CD1 4Å; Y956-L1048 HydrophobicContact CE1-CD2 3.9Å; Y956-L1048 HydrophobicContact CE2-CD1 4.4Å; Y956-L1048 HydrophobicContact CE2-CD2 3.9Å; Y956-L1048 HydrophobicContact CG-CD1 4.15Å; Y956-L1048 VanDerWaalsContact CZ-CD2 3.46Å; Y956-L1048 WeakPolarHBondContact OH-CD2 3.49Å; Y956-E1053 HydrophobicContact CE2-CB 4.41Å; Y956-E1053 WeakPolarHBondContact CE2-OE2 3.16Å; Y956-E1053 PolarHBondContact OH-OE2 3.37Å; Y956-L1060 HydrophobicContact CD2-CD2 3.64Å; Y956-L1060 HydrophobicContact CG-CD2 4.34Å |
| 957 | C | 70.8 | Confident | 63.8 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -35.7 | 178.6 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | I953 R959 L968 P1016 | I953-C957 PolarHBondContact O-N 3.15Å; I953-C957 PolarHBondContact O-SG 3.36Å; C957-R959 VanDerWaalsContact C-N 3.26Å; C957-R959 PolarHBondContact O-N 2.84Å; C957-L968 WeakPolarHBondContact O-CD1 3.37Å; C957-P1016 HydrophobicContact CB-CG 4.14Å; C957-P1016 WeakPolarHBondContact SG-CD 3.4Å |
| 958 | A | 64.2 | Low | 63.1 | Low | 80 Ų | 80 | 63.4 Ų | 63.4 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N954 Y956 | N954-A958 WeakPolarHBondContact O-CB 3.34Å; N954-A958 PolarHBondContact O-N 3.25Å; N954-A958 VanDerWaalsContact O-N 3.11Å; Y956-A958 PolarHBondContact O-N 3.24Å |
| 959 | R | 65.6 | Low | 62.4 | Low | 144 Ų | 144 | 58.9 Ų | 58.9 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -12.2 | 172.1 | -84.3 | -172.1 | -179.2 | 84.1 | -11.9 | 113.8 | Q955 Y956 C957 | Q955-R959 WeakPolarHBondContact O-CG 3.26Å; Q955-R959 PolarHBondContact O-NH1 3.1Å; Q955-R959 VanDerWaalsContact O-NH1 3.08Å; Y956-R959 PolarHBondContact O-N 3.08Å; C957-R959 VanDerWaalsContact C-N 3.26Å; C957-R959 PolarHBondContact O-N 2.84Å |
| 960 | L | 64.4 | Low | 61.8 | Low | 23 Ų | 23 | 59.5 Ų | 59.5 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -64.9 | 150.1 | 172.7 | -64.3 | 175.9 | 0 | 0 | 0 | 109.8 | Y956 L968 P1016 N1018 | Y956-L960 HydrophobicContact CD1-CD1 4.49Å; Y956-L960 HydrophobicContact CE1-CD1 3.99Å; Y956-L960 HydrophobicContact CE1-CD2 4.36Å; Y956-L960 HydrophobicContact CE1-CG 4.41Å; Y956-L960 HydrophobicContact CE2-CD2 4.21Å; Y956-L960 PolarHBondContact O-N 2.77Å; L960-L968 HydrophobicContact CB-CD1 4.17Å; L960-L968 HydrophobicContact CB-CD2 4.09Å; L960-L968 WeakPolarHBondContact O-CD1 3.41Å; L960-P1016 HydrophobicContact CD1-CB 3.94Å; L960-P1016 HydrophobicContact CD1-CG 3.98Å; L960-N1018 HydrophobicContact CB-CB 4.24Å; L960-N1018 HydrophobicContact CD1-CB 4.36Å |
| 961 | P | 51.1 | Low | 60.9 | Low | 92 Ų | 92 | 60.4 Ų | 60.4 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | trans | -63.8 | 145 | 168.3 | 27.8 | -34 | 0 | 0 | 0 | 110.4 | N1018 | P961-N1018 HydrophobicContact CG-CB 4.45Å; P961-N1018 PolarHBondContact O-ND2 3.41Å | ||
| 962 | S | 47.8 | Very low | 60.6 | Low | 88 Ų | 88 | 57.6 Ų | 57.6 | 62% | 0.615 | 30% | 0.3 | S | S | * | . | trans | -116 | 116.2 | -179 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 963 | D | 43.9 | Very low | 59.9 | Low | 82 Ų | 82 | 58.2 Ų | 58.2 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | trans | -78.4 | 155.1 | 167.6 | -53.2 | -69.9 | 0 | 0 | 0 | 110.8 | I965 T966 N1018 | D963-I965 PolarHBondContact O-N 3.24Å; D963-T966 HydrophobicContact CB-CG2 3.91Å; D963-T966 PolarHBondContact N-OG1 3.45Å; D963-T966 PolarHBondContact O-N 3.19Å; D963-T966 PolarHBondContact O-OG1 2.7Å; D963-N1018 PolarHBondContact OD2-ND2 3.03Å | ||
| 964 | Y | 41.6 | Very low | 59.3 | Low | 188 Ų | 188 | 60.2 Ų | 60.2 | 74% | 0.737 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14.7 | -168.6 | 73.9 | -75.1 | 0 | 0 | 0 | 116.5 | ||
| 965 | I | 42 | Very low | 58.4 | Low | 53 Ų | 53 | 58.5 Ų | 58.5 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -25 | 175.1 | -58.6 | 177.6 | 0 | 0 | 0 | 111.6 | F24 D963 N967 | F24-I965 HydrophobicContact CD1-CG2 4.35Å; F24-I965 HydrophobicContact CE1-CD1 4.33Å; F24-I965 HydrophobicContact CE1-CG2 4.32Å; F24-I965 HydrophobicContact CE2-CD1 4.32Å; F24-I965 HydrophobicContact CZ-CD1 3.86Å; D963-I965 PolarHBondContact O-N 3.24Å; I965-N967 PolarHBondContact O-N 3.35Å |
| 966 | T | 47.6 | Very low | 58.3 | Low | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | trans | -81.4 | 112.2 | -165.7 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | D22 D963 L968 I1017 | D22-T966 WeakPolarHBondContact OD1-CG2 3.41Å; D963-T966 HydrophobicContact CB-CG2 3.91Å; D963-T966 PolarHBondContact N-OG1 3.45Å; D963-T966 PolarHBondContact O-N 3.19Å; D963-T966 PolarHBondContact O-OG1 2.7Å; T966-L968 PolarHBondContact O-N 3.28Å; T966-I1017 HydrophobicContact CG2-CG2 4.45Å | ||
| 967 | N | 51.2 | Low | 57.6 | Low | 69 Ų | 69 | 59.7 Ų | 59.7 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | trans | -83.6 | 97.1 | 176.6 | -153.8 | -43.5 | 0 | 0 | 0 | 109.6 | E797 I965 T969 | E797-N967 PolarHBondContact OE2-ND2 2.75Å; I965-N967 PolarHBondContact O-N 3.35Å; N967-T969 PolarHBondContact O-N 2.59Å; N967-T969 PolarHBondContact OD1-OG1 2.78Å | ||
| 968 | L | 57.8 | Low | 57 | Low | 34 Ų | 34 | 62.8 Ų | 62.8 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -67 | 62.5 | -177.5 | -68.6 | -172 | 0 | 0 | 0 | 114.1 | C957 L960 T966 P1016 | C957-L968 WeakPolarHBondContact O-CD1 3.37Å; L960-L968 HydrophobicContact CB-CD1 4.17Å; L960-L968 HydrophobicContact CB-CD2 4.09Å; L960-L968 WeakPolarHBondContact O-CD1 3.41Å; T966-L968 PolarHBondContact O-N 3.28Å; L968-P1016 HydrophobicContact CD2-CB 3.73Å; L968-P1016 HydrophobicContact CD2-CG 4.06Å | ||
| 969 | T | 57.9 | Low | 56.6 | Low | 38 Ų | 38 | 61.1 Ų | 61.1 | 23% | 0.233 | 30% | 0.302 | C | S | . | . | trans | -130.3 | 136.7 | 176 | 50.8 | 0 | 0 | 0 | 0 | 111 | N967 K971 | N967-T969 PolarHBondContact O-N 2.59Å; N967-T969 PolarHBondContact OD1-OG1 2.78Å; T969-K971 PolarHBondContact O-N 2.76Å | ||
| 970 | P | 65 | Low | 55.9 | Low | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | trans | -66.2 | 128.8 | 173.2 | 25.8 | -30.7 | 0 | 0 | 0 | 109.5 | I953 N954 W972 L1013 R1014 | I953-P970 HydrophobicContact CG2-CB 3.92Å; I953-P970 HydrophobicContact CG2-CG 4.07Å; N954-P970 VanDerWaalsContact OD1-CG 3.22Å; N954-P970 WeakPolarHBondContact OD1-CG 3.29Å; P970-W972 HydrophobicContact CB-CZ2 4.11Å; P970-W972 HydrophobicContact CG-CZ2 4.07Å; P970-W972 PolarHBondContact O-NE1 3.02Å; P970-W972 VanDerWaalsContact O-NE1 3.12Å; P970-L1013 HydrophobicContact CB-CD1 3.62Å; P970-R1014 WeakPolarHBondContact CA-O 3.3Å | ||
| 971 | K | 59.2 | Low | 54.7 | Low | 50 Ų | 50 | 67 Ų | 67 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.4 | -178.5 | -63.8 | 173.3 | -176.6 | 168.3 | 0 | 109.1 | N21 T969 Y973 R1014 | N21-K971 PolarHBondContact OD1-NZ 3.43Å; T969-K971 PolarHBondContact O-N 2.76Å; K971-Y973 HydrophobicContact CB-CE2 3.59Å; K971-R1014 PolarHBondContact N-O 3.49Å; K971-R1014 PolarHBondContact O-N 3.44Å |
| 972 | W | 67.7 | Low | 54.2 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.3 | -172.9 | -52.3 | 84.4 | 0 | 0 | 0 | 110.6 | I950 I953 P970 L1013 K1037 A1041 | I950-W972 HydrophobicContact CG1-CH2 4.11Å; I950-W972 HydrophobicContact CG2-CH2 4.46Å; I950-W972 HydrophobicContact CG2-CZ2 4.12Å; I953-W972 HydrophobicContact CD1-CH2 4.49Å; P970-W972 HydrophobicContact CB-CZ2 4.11Å; P970-W972 HydrophobicContact CG-CZ2 4.07Å; P970-W972 PolarHBondContact O-NE1 3.02Å; P970-W972 VanDerWaalsContact O-NE1 3.12Å; W972-L1013 HydrophobicContact CD2-CD1 3.98Å; W972-L1013 HydrophobicContact CE3-CB 4.13Å; W972-L1013 HydrophobicContact CE3-CD1 3.93Å; W972-L1013 HydrophobicContact CE3-CG 4.44Å; W972-L1013 HydrophobicContact CH2-CD1 3.85Å; W972-L1013 HydrophobicContact CH2-CD2 3.88Å; W972-L1013 HydrophobicContact CH2-CG 4.4Å; W972-L1013 HydrophobicContact CZ2-CD1 3.9Å; W972-L1013 HydrophobicContact CZ3-CB 4.1Å; W972-L1013 HydrophobicContact CZ3-CD1 3.87Å; W972-L1013 HydrophobicContact CZ3-CD2 3.87Å; W972-L1013 HydrophobicContact CZ3-CG 4.17Å; W972-K1037 HydrophobicContact CD2-CG 4.37Å; W972-K1037 HydrophobicContact CE3-CB 4.34Å; W972-K1037 HydrophobicContact CE3-CG 3.96Å; W972-K1037 HydrophobicContact CZ3-CB 4.46Å; W972-K1037 WeakPolarHBondContact CZ3-O 3.16Å; W972-A1041 HydrophobicContact CH2-CB 3.75Å; W972-A1041 HydrophobicContact CZ3-CB 3.99Å |
| 973 | Y | 60.1 | Low | 53.8 | Low | 39 Ų | 39 | 69.3 Ų | 69.3 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 130 | -174.1 | -45.8 | -95.9 | 0 | 0 | 0 | 113.4 | K13 L16 K971 V1012 | K13-Y973 WeakPolarHBondContact CE-O 3.38Å; K13-Y973 PolarHBondContact NZ-O 3.35Å; L16-Y973 HydrophobicContact CD1-CD1 4.43Å; L16-Y973 HydrophobicContact CD1-CE1 3.71Å; K971-Y973 HydrophobicContact CB-CE2 3.59Å; Y973-V1012 PolarHBondContact N-O 3.15Å; Y973-V1012 PolarHBondContact O-N 2.96Å |
| 974 | W | 66 | Low | 53.4 | Low | 42 Ų | 42 | 71 Ų | 71 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 138.3 | -171.5 | -18.7 | 88.7 | 0 | 0 | 0 | 113.8 | K13 Q1010 K1033 K1037 | K13-W974 VanDerWaalsContact CD-O 3.28Å; K13-W974 WeakPolarHBondContact CD-O 3.49Å; K13-W974 WeakPolarHBondContact CE-O 3.46Å; K13-W974 PolarHBondContact NZ-O 2.7Å; W974-Q1010 CarbonylContact C-O 3.58Å; W974-K1033 HydrophobicContact CE3-CB 3.91Å; W974-K1033 HydrophobicContact CE3-CD 4.45Å; W974-K1033 HydrophobicContact CE3-CG 4.18Å; W974-K1033 HydrophobicContact CZ3-CB 3.8Å; W974-K1037 HydrophobicContact CH2-CD 4.09Å; W974-K1037 VanDerWaalsContact CH2-CE 3.42Å; W974-K1037 HydrophobicContact CH2-CG 4.45Å; W974-K1037 HydrophobicContact CZ3-CD 3.93Å; W974-K1037 HydrophobicContact CZ3-CG 3.89Å |
| 975 | K | 56.8 | Low | 53.4 | Low | 33 Ų | 33 | 67.8 Ų | 67.8 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.4 | 168 | -67.1 | -169.4 | 159.3 | -89 | 0 | 106.6 | F977 Y1009 Q1010 V1012 | K975-F977 HydrophobicContact CB-CD2 4.29Å; K975-F977 HydrophobicContact CB-CE2 3.62Å; K975-F977 HydrophobicContact CB-CZ 4.24Å; K975-F977 HydrophobicContact CD-CE2 4.17Å; K975-F977 HydrophobicContact CD-CZ 4.19Å; K975-F977 HydrophobicContact CG-CE2 4.49Å; K975-Y1009 CarbonylContact O-C 3.58Å; K975-Y1009 WeakPolarHBondContact O-CA 3.42Å; K975-Q1010 HydrophobicContact CB-CB 4.04Å; K975-Q1010 HydrophobicContact CB-CG 4.2Å; K975-Q1010 WeakPolarHBondContact CB-O 3.44Å; K975-Q1010 HydrophobicContact CD-CG 4.11Å; K975-Q1010 HydrophobicContact CG-CG 4.41Å; K975-Q1010 PolarHBondContact N-O 3.04Å; K975-Q1010 PolarHBondContact O-N 3.37Å; K975-V1012 HydrophobicContact CD-CG2 4.05Å; K975-V1012 HydrophobicContact CG-CG2 4.13Å |
| 976 | I | 67.3 | Low | 52.8 | Low | 46 Ų | 46 | 70 Ų | 70 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.2 | 173.3 | -46.7 | -174.9 | 0 | 0 | 0 | 108.2 | D6 Q10 N1007 L1008 Y1009 | D6-I976 WeakPolarHBondContact OD1-CB 3.43Å; Q10-I976 PolarHBondContact NE2-O 2.84Å; I976-N1007 HydrophobicContact CG2-CB 3.98Å; I976-L1008 WeakPolarHBondContact CA-O 3.44Å; I976-Y1009 HydrophobicContact CD1-CD1 4.46Å; I976-Y1009 HydrophobicContact CD1-CE1 4.04Å; I976-Y1009 HydrophobicContact CG1-CD1 4Å; I976-Y1009 HydrophobicContact CG1-CE1 4.04Å; I976-Y1009 HydrophobicContact CG2-CD1 4.42Å; I976-Y1009 HydrophobicContact CG2-CE1 4.14Å |
| 977 | F | 62.1 | Low | 52 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 34% | 0.338 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131 | 174.2 | -66.2 | -80.6 | 0 | 0 | 0 | 110 | K975 L1008 Q1010 | K975-F977 HydrophobicContact CB-CD2 4.29Å; K975-F977 HydrophobicContact CB-CE2 3.62Å; K975-F977 HydrophobicContact CB-CZ 4.24Å; K975-F977 HydrophobicContact CD-CE2 4.17Å; K975-F977 HydrophobicContact CD-CZ 4.19Å; K975-F977 HydrophobicContact CG-CE2 4.49Å; F977-L1008 PolarHBondContact N-O 3.43Å; F977-L1008 PolarHBondContact O-N 3.28Å; F977-Q1010 HydrophobicContact CD2-CB 4.41Å; F977-Q1010 HydrophobicContact CE2-CB 4.07Å |
| 978 | P | 57.8 | Low | 51 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 42% | 0.422 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140 | 164.3 | 30.5 | -33.8 | 0 | 0 | 0 | 109 | F3 | F3-P978 HydrophobicContact CE1-CG 4.06Å; F3-P978 HydrophobicContact CZ-CB 4.49Å; F3-P978 HydrophobicContact CZ-CG 4.08Å |
| 979 | Q | 56.5 | Low | 49.8 | Very low | 45 Ų | 45 | 78.7 Ų | 78.7 | 21% | 0.21 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 130 | -179.3 | -170.1 | 173.8 | 27.9 | 0 | 0 | 110.6 | F983 F1006 L1008 | Q979-F983 HydrophobicContact CG-CB 4.21Å; Q979-F983 PolarHBondContact NE2-O 2.75Å; Q979-F1006 WeakPolarHBondContact CB-O 3.48Å; Q979-L1008 HydrophobicContact CB-CD1 4.46Å; Q979-L1008 HydrophobicContact CG-CD1 4.28Å |
| 980 | P | 49.2 | Very low | 48.5 | Very low | 94 Ų | 94 | 84.1 Ų | 84.1 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 141 | 176.6 | 27 | -34 | 0 | 0 | 0 | 110.9 | G982 | P980-G982 PolarHBondContact O-N 2.81Š|
| 981 | Q | 39.3 | Very low | 47.1 | Very low | 198 Ų | 198 | 87.1 Ų | 87.1 | 93% | 0.925 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 121.7 | -179.4 | -67.2 | -177.6 | -5.1 | 0 | 0 | 110.6 | ||
| 982 | G | 41.6 | Very low | 46 | Very low | 74 Ų | 74 | 87.8 Ų | 87.8 | 76% | 0.763 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.6 | -13.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P980 T984 | P980-G982 PolarHBondContact O-N 2.81Å; G982-T984 PolarHBondContact O-N 3.37Å |
| 983 | F | 38.4 | Very low | 44.6 | Very low | 153 Ų | 153 | 92 Ų | 92 | 67% | 0.671 | 57% | 0.574 | S | S | * | * | trans | -89 | 81.2 | -172.5 | -141.2 | -79 | 0 | 0 | 0 | 113.6 | Q979 | Q979-F983 HydrophobicContact CG-CB 4.21Å; Q979-F983 PolarHBondContact NE2-O 2.75Å | ||
| 984 | T | 37.5 | Very low | 43.7 | Very low | 117 Ų | 117 | 92.7 Ų | 92.7 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -72.2 | 125.2 | 173.6 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | G982 S986 | G982-T984 PolarHBondContact O-N 3.37Å; T984-S986 PolarHBondContact O-N 3.12Å | ||
| 985 | P | 40.1 | Very low | 42.6 | Very low | 121 Ų | 121 | 92.8 Ų | 92.8 | 79% | 0.786 | 60% | 0.598 | S | S | * | * | trans | -72 | 100.5 | 176.7 | 28.6 | -33.5 | 0 | 0 | 0 | 110.8 | S987 | P985-S987 PolarHBondContact O-N 3.36Š| ||
| 986 | S | 30.4 | Very low | 42 | Very low | 99 Ų | 99 | 93 Ų | 93 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | trans | -71.1 | 115.3 | -175.8 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | T984 | T984-S986 PolarHBondContact O-N 3.12Š| ||
| 987 | S | 30 | Very low | 40.7 | Very low | 115 Ų | 115 | 98.7 Ų | 98.7 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | 47.7 | 75.9 | 156.3 | 62 | 0 | 0 | 0 | 0 | 117.2 | P985 | P985-S987 PolarHBondContact O-N 3.36Š| ||
| 988 | T | 31.4 | Very low | 39.9 | Very low | 130 Ų | 130 | 103.4 Ų | 103.4 | 80% | 0.798 | 65% | 0.654 | S | S | * | * | trans | -119.2 | 147.9 | 146.2 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 989 | G | 31.5 | Very low | 39.3 | Very low | 56 Ų | 56 | 103.4 Ų | 103.4 | 58% | 0.577 | 65% | 0.65 | S | S | * | * | trans | -70.2 | 163.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115 | G991 | G989-G991 VanDerWaalsContact C-N 3.33Å; G989-G991 PolarHBondContact O-N 3.43Å | ||
| 990 | P | 30.2 | Very low | 38.8 | Very low | 152 Ų | 152 | 105 Ų | 105 | 99% | 0.987 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 84.1 | -178.3 | 29.9 | -35.9 | 0 | 0 | 0 | 111.8 | ||
| 991 | G | 35.6 | Very low | 38.9 | Very low | 75 Ų | 75 | 103.5 Ų | 103.5 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.7 | 3.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | G989 | G989-G991 VanDerWaalsContact C-N 3.33Å; G989-G991 PolarHBondContact O-N 3.43Å |
| 992 | S | 37.1 | Very low | 39.4 | Very low | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | trans | -130.3 | 70 | -176.4 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | C994 | S992-C994 PolarHBondContact O-N 2.96Å; S992-C994 VanDerWaalsContact O-N 3.12Å | ||
| 993 | T | 38.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 102.6 Ų | 102.6 | 85% | 0.847 | 64% | 0.637 | S | S | * | * | trans | -82.8 | 75.9 | 174.3 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | G995 | T993-G995 PolarHBondContact O-N 2.79Å; T993-G995 VanDerWaalsContact O-N 3.14Å | ||
| 994 | C | 40.9 | Very low | 40.4 | Very low | 53 Ų | 53 | 97.3 Ų | 97.3 | 36% | 0.358 | 63% | 0.625 | S | S | . | * | trans | -84.1 | 44.8 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | S992 | S992-C994 PolarHBondContact O-N 2.96Å; S992-C994 VanDerWaalsContact O-N 3.12Å | ||
| 995 | G | 41.8 | Very low | 41.2 | Very low | 45 Ų | 45 | 93.3 Ų | 93.3 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -147.7 | 134 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T993 | T993-G995 PolarHBondContact O-N 2.79Å; T993-G995 VanDerWaalsContact O-N 3.14Å |
| 996 | S | 44.2 | Very low | 42.3 | Very low | 37 Ų | 37 | 92 Ų | 92 | 26% | 0.259 | 58% | 0.583 | S | S | . | * | trans | -74 | 134.6 | 176.2 | -155.8 | 0 | 0 | 0 | 0 | 109.2 | D918 K998 D999 | D918-S996 WeakPolarHBondContact OD2-CB 3.5Å; D918-S996 PolarHBondContact OD2-OG 2.97Å; S996-K998 PolarHBondContact O-N 3.19Å; S996-D999 PolarHBondContact O-N 3.45Å; S996-D999 VanDerWaalsContact O-N 3.11Å | ||
| 997 | L | 41.6 | Very low | 44.1 | Very low | 166 Ų | 166 | 88.8 Ų | 88.8 | 87% | 0.869 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 1.2 | -178.6 | -154 | 80.3 | 0 | 0 | 0 | 113.7 | ||
| 998 | K | 44.4 | Very low | 46.1 | Very low | 175 Ų | 175 | 84.8 Ų | 84.8 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -15.6 | 179.6 | -62.9 | 176.2 | -178.6 | 172.3 | 0 | 113.8 | S996 | S996-K998 PolarHBondContact O-N 3.19Š|
| 999 | D | 45.1 | Very low | 48.1 | Very low | 65 Ų | 65 | 79.3 Ų | 79.3 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -91.6 | -0.8 | 178.8 | -68.4 | -59.5 | 0 | 0 | 0 | 113 | S996 N1007 Y1009 | S996-D999 PolarHBondContact O-N 3.45Å; S996-D999 VanDerWaalsContact O-N 3.11Å; D999-N1007 PolarHBondContact O-ND2 3.48Å; D999-Y1009 PolarHBondContact OD1-OH 2.66Å |
| 1000 | L | 45.5 | Very low | 50.4 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 121.1 | 171.6 | -164.2 | 78 | 0 | 0 | 0 | 109.2 | G1004 F1006 | L1000-G1004 WeakPolarHBondContact CD1-O 3.44Å; L1000-F1006 HydrophobicContact CD1-CD1 4.26Å; L1000-F1006 HydrophobicContact CD1-CD2 4.35Å; L1000-F1006 HydrophobicContact CD1-CE1 3.86Å; L1000-F1006 HydrophobicContact CD1-CE2 3.96Å; L1000-F1006 HydrophobicContact CD1-CG 4.49Å; L1000-F1006 HydrophobicContact CD1-CZ 3.71Å |
| 1001 | Q | 51.6 | Low | 52.6 | Low | 64 Ų | 64 | 71 Ų | 71 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | trans | -71.4 | 161.1 | 172.7 | -65.8 | -161.5 | 54.4 | 0 | 0 | 110.7 | D1003 G1004 T1005 N1007 | Q1001-D1003 VanDerWaalsContact CB-OD1 3.31Å; Q1001-D1003 WeakPolarHBondContact CB-OD1 3.24Å; Q1001-D1003 PolarHBondContact O-N 3.18Å; Q1001-G1004 PolarHBondContact O-N 3.49Å; Q1001-T1005 PolarHBondContact N-O 3.48Å; Q1001-T1005 VanDerWaalsContact N-O 3.12Å; Q1001-N1007 PolarHBondContact NE2-OD1 3.21Å | ||
| 1002 | P | 49.9 | Very low | 54.3 | Low | 143 Ų | 143 | 67.8 Ų | 67.8 | 93% | 0.929 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.6 | -176.6 | -25.1 | 35.6 | 0 | 0 | 0 | 115.6 | ||
| 1003 | D | 47.2 | Very low | 56.2 | Low | 110 Ų | 110 | 64.8 Ų | 64.8 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5 | 175.9 | 60.1 | 9.4 | 0 | 0 | 0 | 114 | Q1001 T1005 | Q1001-D1003 VanDerWaalsContact CB-OD1 3.31Å; Q1001-D1003 WeakPolarHBondContact CB-OD1 3.24Å; Q1001-D1003 PolarHBondContact O-N 3.18Å; D1003-T1005 WeakPolarHBondContact OD1-CB 3.49Å; D1003-T1005 WeakPolarHBondContact OD1-CG2 3.45Å; D1003-T1005 PolarHBondContact OD1-N 3.46Å; D1003-T1005 PolarHBondContact OD1-OG1 2.82Å; D1003-T1005 PolarHBondContact OD2-OG1 2.99Å |
| 1004 | G | 53 | Low | 57.4 | Low | 41 Ų | 41 | 59 Ų | 59 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 87.6 | 8.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1000 Q1001 | L1000-G1004 WeakPolarHBondContact CD1-O 3.44Å; Q1001-G1004 PolarHBondContact O-N 3.49Å |
| 1005 | T | 55.5 | Low | 58.9 | Low | 33 Ų | 33 | 56.7 Ų | 56.7 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 151.7 | 176.7 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | Q1001 D1003 | Q1001-T1005 PolarHBondContact N-O 3.48Å; Q1001-T1005 VanDerWaalsContact N-O 3.12Å; D1003-T1005 WeakPolarHBondContact OD1-CB 3.49Å; D1003-T1005 WeakPolarHBondContact OD1-CG2 3.45Å; D1003-T1005 PolarHBondContact OD1-N 3.46Å; D1003-T1005 PolarHBondContact OD1-OG1 2.82Å; D1003-T1005 PolarHBondContact OD2-OG1 2.99Å |
| 1006 | F | 62.5 | Low | 60 | Low | 95 Ų | 95 | 54.7 Ų | 54.7 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 145.5 | 173 | -71.5 | -80.7 | 0 | 0 | 0 | 111.2 | Q979 L1000 | Q979-F1006 WeakPolarHBondContact CB-O 3.48Å; L1000-F1006 HydrophobicContact CD1-CD1 4.26Å; L1000-F1006 HydrophobicContact CD1-CD2 4.35Å; L1000-F1006 HydrophobicContact CD1-CE1 3.86Å; L1000-F1006 HydrophobicContact CD1-CE2 3.96Å; L1000-F1006 HydrophobicContact CD1-CG 4.49Å; L1000-F1006 HydrophobicContact CD1-CZ 3.71Å |
| 1007 | N | 67.8 | Low | 60.6 | Low | 30 Ų | 30 | 54.3 Ų | 54.3 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.6 | 172.5 | -60.7 | -52.9 | 0 | 0 | 0 | 110.4 | I976 D999 Q1001 Y1009 | I976-N1007 HydrophobicContact CG2-CB 3.98Å; D999-N1007 PolarHBondContact O-ND2 3.48Å; Q1001-N1007 PolarHBondContact NE2-OD1 3.21Å; N1007-Y1009 HydrophobicContact CB-CE2 4.47Å; N1007-Y1009 WeakPolarHBondContact O-CE2 3.49Å |
| 1008 | L | 73 | Confident | 61.6 | Low | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.5 | 173.3 | -69.2 | 171.6 | 0 | 0 | 0 | 110.4 | I976 F977 Q979 P1029 V1031 | I976-L1008 WeakPolarHBondContact CA-O 3.44Å; F977-L1008 PolarHBondContact N-O 3.43Å; F977-L1008 PolarHBondContact O-N 3.28Å; Q979-L1008 HydrophobicContact CB-CD1 4.46Å; Q979-L1008 HydrophobicContact CG-CD1 4.28Å; L1008-P1029 HydrophobicContact CB-CB 4.23Å; L1008-P1029 HydrophobicContact CD1-CB 4.46Å; L1008-V1031 HydrophobicContact CD2-CG1 3.92Å |
| 1009 | Y | 73.2 | Confident | 62.8 | Low | 14 Ų | 14 | 40.1 Ų | 40.1 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.5 | -179.6 | -54.3 | -80.8 | 0 | 0 | 0 | 110 | K975 I976 D999 N1007 M1030 K1033 A1036 | K975-Y1009 CarbonylContact O-C 3.58Å; K975-Y1009 WeakPolarHBondContact O-CA 3.42Å; I976-Y1009 HydrophobicContact CD1-CD1 4.46Å; I976-Y1009 HydrophobicContact CD1-CE1 4.04Å; I976-Y1009 HydrophobicContact CG1-CD1 4Å; I976-Y1009 HydrophobicContact CG1-CE1 4.04Å; I976-Y1009 HydrophobicContact CG2-CD1 4.42Å; I976-Y1009 HydrophobicContact CG2-CE1 4.14Å; D999-Y1009 PolarHBondContact OD1-OH 2.66Å; N1007-Y1009 HydrophobicContact CB-CE2 4.47Å; N1007-Y1009 WeakPolarHBondContact O-CE2 3.49Å; Y1009-M1030 PolarHBondContact N-O 2.75Å; Y1009-M1030 PolarHBondContact O-N 3.25Å; Y1009-K1033 HydrophobicContact CD1-CD 4.23Å; Y1009-K1033 VanDerWaalsContact CD1-CE 3.47Å; Y1009-K1033 HydrophobicContact CD1-CG 3.65Å; Y1009-K1033 HydrophobicContact CD2-CG 4.19Å; Y1009-K1033 HydrophobicContact CE1-CD 4.36Å; Y1009-K1033 HydrophobicContact CE1-CG 4.16Å; Y1009-K1033 HydrophobicContact CG-CG 3.67Å; Y1009-A1036 WeakPolarHBondContact O-CB 3.21Å |
| 1010 | Q | 79.7 | Confident | 63.7 | Low | 34 Ų | 34 | 39.6 Ų | 39.6 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.2 | 170.7 | 155.9 | 170.7 | 89.2 | 0 | 0 | 108.9 | W974 K975 F977 V1026 G1027 P1029 | W974-Q1010 CarbonylContact C-O 3.58Å; K975-Q1010 HydrophobicContact CB-CB 4.04Å; K975-Q1010 HydrophobicContact CB-CG 4.2Å; K975-Q1010 WeakPolarHBondContact CB-O 3.44Å; K975-Q1010 HydrophobicContact CD-CG 4.11Å; K975-Q1010 HydrophobicContact CG-CG 4.41Å; K975-Q1010 PolarHBondContact N-O 3.04Å; K975-Q1010 PolarHBondContact O-N 3.37Å; F977-Q1010 HydrophobicContact CD2-CB 4.41Å; F977-Q1010 HydrophobicContact CE2-CB 4.07Å; Q1010-V1026 HydrophobicContact CG-CG1 3.75Å; Q1010-G1027 VanDerWaalsContact CG-O 3.31Å; Q1010-G1027 WeakPolarHBondContact CG-O 3.44Å; Q1010-G1027 PolarHBondContact NE2-O 3.41Å; Q1010-P1029 HydrophobicContact CB-CB 4.41Å; Q1010-P1029 HydrophobicContact CB-CG 4.43Å |
| 1011 | C | 77 | Confident | 64.7 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 147.3 | 176.3 | -162.1 | 0 | 0 | 0 | 0 | 110.7 | G1027 A1036 A1040 | C1011-G1027 PolarHBondContact O-N 2.75Å; C1011-A1036 HydrophobicContact CB-CB 3.85Å; C1011-A1036 WeakPolarHBondContact CB-O 3.31Å; C1011-A1040 HydrophobicContact CB-CB 3.88Å |
| 1012 | V | 71.5 | Confident | 65.2 | Low | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.3 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | Y973 K975 T1024 V1026 | Y973-V1012 PolarHBondContact N-O 3.15Å; Y973-V1012 PolarHBondContact O-N 2.96Å; K975-V1012 HydrophobicContact CD-CG2 4.05Å; K975-V1012 HydrophobicContact CG-CG2 4.13Å; V1012-T1024 HydrophobicContact CG1-CG2 4.25Å; V1012-V1026 HydrophobicContact CG1-CG2 4.46Å; V1012-V1026 HydrophobicContact CG2-CG1 4.42Å; V1012-V1026 HydrophobicContact CG2-CG2 4.28Å |
| 1013 | L | 77 | Confident | 65.7 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.5 | 176.6 | 165.3 | 63.3 | 0 | 0 | 0 | 109.2 | I953 P970 W972 L1015 I1025 A1040 A1044 | I953-L1013 HydrophobicContact CD1-CD2 3.55Å; P970-L1013 HydrophobicContact CB-CD1 3.62Å; W972-L1013 HydrophobicContact CD2-CD1 3.98Å; W972-L1013 HydrophobicContact CE3-CB 4.13Å; W972-L1013 HydrophobicContact CE3-CD1 3.93Å; W972-L1013 HydrophobicContact CE3-CG 4.44Å; W972-L1013 HydrophobicContact CH2-CD1 3.85Å; W972-L1013 HydrophobicContact CH2-CD2 3.88Å; W972-L1013 HydrophobicContact CH2-CG 4.4Å; W972-L1013 HydrophobicContact CZ2-CD1 3.9Å; W972-L1013 HydrophobicContact CZ3-CB 4.1Å; W972-L1013 HydrophobicContact CZ3-CD1 3.87Å; W972-L1013 HydrophobicContact CZ3-CD2 3.87Å; W972-L1013 HydrophobicContact CZ3-CG 4.17Å; L1013-L1015 HydrophobicContact CD1-CD2 4.39Å; L1013-I1025 HydrophobicContact CB-CB 4.47Å; L1013-I1025 PolarHBondContact N-O 2.72Å; L1013-I1025 PolarHBondContact O-N 2.74Å; L1013-A1040 HydrophobicContact CB-CB 3.96Å; L1013-A1044 HydrophobicContact CD2-CB 3.49Å; L1013-A1044 VanDerWaalsContact CD2-CB 3.49Å |
| 1014 | R | 63.1 | Low | 66.5 | Low | 17 Ų | 17 | 32.8 Ų | 32.8 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.6 | 169.1 | -154.8 | 167.7 | -171.2 | -135.5 | -20.2 | 111.4 | L16 K17 V19 P970 K971 T1024 | L16-R1014 WeakPolarHBondContact O-CD 3.11Å; L16-R1014 PolarHBondContact O-NE 2.95Å; L16-R1014 PolarHBondContact O-NH1 3.18Å; K17-R1014 PolarHBondContact O-NE 3Å; K17-R1014 PolarHBondContact O-NH2 3.21Å; V19-R1014 PolarHBondContact O-NH1 3.38Å; V19-R1014 PolarHBondContact O-NH2 3.44Å; P970-R1014 WeakPolarHBondContact CA-O 3.3Å; K971-R1014 PolarHBondContact N-O 3.49Å; K971-R1014 PolarHBondContact O-N 3.44Å; R1014-T1024 HydrophobicContact CB-CG2 4.28Å; R1014-T1024 HydrophobicContact CG-CG2 3.91Å |
| 1015 | L | 73.3 | Confident | 67.5 | Low | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -90.1 | 165.5 | 179.8 | -57.4 | 177.9 | 0 | 0 | 0 | 111 | N21 I953 Y956 L1013 S1019 V1021 I1025 L1048 | N21-L1015 PolarHBondContact ND2-O 2.84Å; I953-L1015 HydrophobicContact CG2-CD2 3.62Å; Y956-L1015 HydrophobicContact CE1-CD1 4.13Å; L1013-L1015 HydrophobicContact CD1-CD2 4.39Å; L1015-S1019 WeakPolarHBondContact CD1-OG 3.33Å; L1015-V1021 HydrophobicContact CD1-CB 4.18Å; L1015-I1025 HydrophobicContact CD1-CD1 4.09Å; L1015-I1025 HydrophobicContact CG-CD1 4.27Å; L1015-L1048 HydrophobicContact CD1-CD1 4.05Å; L1015-L1048 HydrophobicContact CD1-CD2 4.18Å; L1015-L1048 HydrophobicContact CD1-CG 4.28Å | ||
| 1016 | P | 64.1 | Low | 68.5 | Low | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -60.2 | 159.3 | 170.5 | -23.3 | 35.5 | 0 | 0 | 0 | 112.2 | C957 L960 L968 N1018 S1019 | C957-P1016 HydrophobicContact CB-CG 4.14Å; C957-P1016 WeakPolarHBondContact SG-CD 3.4Å; L960-P1016 HydrophobicContact CD1-CB 3.94Å; L960-P1016 HydrophobicContact CD1-CG 3.98Å; L968-P1016 HydrophobicContact CD2-CB 3.73Å; L968-P1016 HydrophobicContact CD2-CG 4.06Å; P1016-N1018 VanDerWaalsContact C-N 3.25Å; P1016-N1018 PolarHBondContact O-N 2.82Å; P1016-S1019 WeakPolarHBondContact O-CB 3.22Å; P1016-S1019 PolarHBondContact O-N 3.42Å; P1016-S1019 VanDerWaalsContact O-N 3.11Å | ||
| 1017 | I | 56.8 | Low | 69.3 | Low | 28 Ų | 28 | 27.5 Ų | 27.5 | 14% | 0.144 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.8 | -177.3 | -169.7 | -172.7 | 0 | 0 | 0 | 113.1 | P20 N21 D22 T966 S1019 K1022 | P20-I1017 HydrophobicContact CB-CD1 3.69Å; N21-I1017 HydrophobicContact CB-CB 3.9Å; N21-I1017 HydrophobicContact CB-CG2 3.95Å; N21-I1017 PolarHBondContact ND2-N 3.19Å; D22-I1017 WeakPolarHBondContact OD1-CG2 3.21Å; D22-I1017 WeakPolarHBondContact OD2-CD1 3.45Å; T966-I1017 HydrophobicContact CG2-CG2 4.45Å; I1017-S1019 PolarHBondContact O-N 2.83Å; I1017-S1019 VanDerWaalsContact O-N 3.16Å; I1017-K1022 HydrophobicContact CG1-CD 4.26Å; I1017-K1022 WeakPolarHBondContact O-CD 3.34Å; I1017-K1022 WeakPolarHBondContact O-CE 3.43Å; I1017-K1022 PolarHBondContact O-NZ 3.21Å |
| 1018 | N | 62.9 | Low | 69.8 | Low | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4.2 | 176.8 | -40 | 71.2 | 0 | 0 | 0 | 112 | L960 P961 D963 P1016 | L960-N1018 HydrophobicContact CB-CB 4.24Å; L960-N1018 HydrophobicContact CD1-CB 4.36Å; P961-N1018 HydrophobicContact CG-CB 4.45Å; P961-N1018 PolarHBondContact O-ND2 3.41Å; D963-N1018 PolarHBondContact OD2-ND2 3.03Å; P1016-N1018 VanDerWaalsContact C-N 3.25Å; P1016-N1018 PolarHBondContact O-N 2.82Å |
| 1019 | S | 68.8 | Low | 70 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -77 | 146 | 173.6 | -178 | 0 | 0 | 0 | 0 | 112.5 | Y956 L1015 P1016 I1017 V1021 K1022 | Y956-S1019 WeakPolarHBondContact CE1-OG 3.3Å; Y956-S1019 VanDerWaalsContact OH-CA 3.25Å; Y956-S1019 WeakPolarHBondContact OH-CA 3.34Å; Y956-S1019 VanDerWaalsContact OH-CB 3.29Å; Y956-S1019 WeakPolarHBondContact OH-CB 3.48Å; Y956-S1019 PolarHBondContact OH-OG 2.88Å; L1015-S1019 WeakPolarHBondContact CD1-OG 3.33Å; P1016-S1019 WeakPolarHBondContact O-CB 3.22Å; P1016-S1019 PolarHBondContact O-N 3.42Å; P1016-S1019 VanDerWaalsContact O-N 3.11Å; I1017-S1019 PolarHBondContact O-N 2.83Å; I1017-S1019 VanDerWaalsContact O-N 3.16Å; S1019-V1021 VanDerWaalsContact C-N 3.27Å; S1019-V1021 PolarHBondContact O-N 2.78Å; S1019-V1021 PolarHBondContact OG-N 3.38Å; S1019-K1022 VanDerWaalsContact O-CE 3.27Å; S1019-K1022 WeakPolarHBondContact O-CE 3.48Å; S1019-K1022 VanDerWaalsContact O-CG 3.22Å; S1019-K1022 WeakPolarHBondContact O-CG 3.29Å |
| 1020 | S | 64.8 | Low | 70.1 | Confident | 53 Ų | 53 | 32.5 Ų | 32.5 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -60 | -34.7 | 167.3 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | Y956 K1022 S1051 E1053 | Y956-S1020 PolarHBondContact OH-N 2.85Å; S1020-K1022 PolarHBondContact O-N 2.97Å; S1020-S1051 WeakPolarHBondContact OG-CB 3.45Å; S1020-S1051 PolarHBondContact OG-OG 3.09Å; S1020-E1053 VanDerWaalsContact CB-CD 3.45Å; S1020-E1053 VanDerWaalsContact CB-OE2 3.26Å; S1020-E1053 WeakPolarHBondContact CB-OE2 3.28Å; S1020-E1053 PolarHBondContact N-OE2 2.91Å; S1020-E1053 PolarHBondContact OG-OE2 3.2Å |
| 1021 | V | 66 | Low | 69.7 | Low | 15 Ų | 15 | 34.3 Ų | 34.3 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | trans | -99.7 | 84 | -176.3 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | L1015 S1019 E1023 I1025 L1047 L1048 | L1015-V1021 HydrophobicContact CD1-CB 4.18Å; S1019-V1021 VanDerWaalsContact C-N 3.27Å; S1019-V1021 PolarHBondContact O-N 2.78Å; S1019-V1021 PolarHBondContact OG-N 3.38Å; V1021-E1023 VanDerWaalsContact C-N 3.35Å; V1021-I1025 HydrophobicContact CG1-CD1 3.78Å; V1021-I1025 HydrophobicContact CG1-CG1 4.35Å; V1021-L1047 HydrophobicContact CG1-CB 3.96Å; V1021-L1047 HydrophobicContact CG1-CD1 4.07Å; V1021-L1047 HydrophobicContact CG2-CB 4.09Å; V1021-L1048 HydrophobicContact CB-CD2 4.19Å; V1021-L1048 HydrophobicContact CG2-CD2 3.81Å; V1021-L1048 HydrophobicContact CG2-CG 4.26Å | ||
| 1022 | K | 61.5 | Low | 69.3 | Low | 72 Ų | 72 | 35.2 Ų | 35.2 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | trans | -83.4 | -10 | -178.5 | -49.1 | -166 | -167.1 | -154.5 | 0 | 114.2 | I1017 S1019 S1020 | I1017-K1022 HydrophobicContact CG1-CD 4.26Å; I1017-K1022 WeakPolarHBondContact O-CD 3.34Å; I1017-K1022 WeakPolarHBondContact O-CE 3.43Å; I1017-K1022 PolarHBondContact O-NZ 3.21Å; S1019-K1022 VanDerWaalsContact O-CE 3.27Å; S1019-K1022 WeakPolarHBondContact O-CE 3.48Å; S1019-K1022 VanDerWaalsContact O-CG 3.22Å; S1019-K1022 WeakPolarHBondContact O-CG 3.29Å; S1020-K1022 PolarHBondContact O-N 2.97Å | ||
| 1023 | E | 61.7 | Low | 69.2 | Low | 144 Ų | 144 | 36.9 Ų | 36.9 | 67% | 0.673 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -64.7 | 167.6 | 176.5 | -68.2 | 178.2 | -159.9 | 0 | 0 | 112.6 | V1021 | V1021-E1023 VanDerWaalsContact C-N 3.35Š|
| 1024 | T | 64.1 | Low | 68.8 | Low | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | trans | -101.6 | 117.3 | -179.8 | 26.1 | 0 | 0 | 0 | 0 | 112.4 | K17 V1012 R1014 | K17-T1024 HydrophobicContact CB-CG2 4.1Å; K17-T1024 WeakPolarHBondContact CB-OG1 3.25Å; K17-T1024 WeakPolarHBondContact CE-OG1 3.23Å; K17-T1024 HydrophobicContact CG-CG2 3.93Å; K17-T1024 WeakPolarHBondContact CG-OG1 3.45Å; K17-T1024 PolarHBondContact NZ-OG1 3.29Å; V1012-T1024 HydrophobicContact CG1-CG2 4.25Å; R1014-T1024 HydrophobicContact CB-CG2 4.28Å; R1014-T1024 HydrophobicContact CG-CG2 3.91Å | ||
| 1025 | I | 73.6 | Confident | 69.4 | Low | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 108.8 | -160.7 | -48.8 | 171.2 | 0 | 0 | 0 | 108.1 | L1013 L1015 V1021 N1043 A1044 L1047 | L1013-I1025 HydrophobicContact CB-CB 4.47Å; L1013-I1025 PolarHBondContact N-O 2.72Å; L1013-I1025 PolarHBondContact O-N 2.74Å; L1015-I1025 HydrophobicContact CD1-CD1 4.09Å; L1015-I1025 HydrophobicContact CG-CD1 4.27Å; V1021-I1025 HydrophobicContact CG1-CD1 3.78Å; V1021-I1025 HydrophobicContact CG1-CG1 4.35Å; I1025-N1043 HydrophobicContact CG2-CB 3.82Å; I1025-A1044 HydrophobicContact CB-CB 4.38Å; I1025-A1044 HydrophobicContact CD1-CB 3.4Å; I1025-A1044 HydrophobicContact CG1-CB 4.44Å; I1025-A1044 HydrophobicContact CG2-CB 3.93Å; I1025-L1047 HydrophobicContact CD1-CD1 4.17Å; I1025-L1047 HydrophobicContact CG1-CD1 3.95Å; I1025-L1047 HydrophobicContact CG2-CD1 3.96Å |
| 1026 | V | 77.1 | Confident | 69.7 | Low | 51 Ų | 51 | 38.3 Ų | 38.3 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.5 | -174.4 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | Q1010 V1012 N1043 | Q1010-V1026 HydrophobicContact CG-CG1 3.75Å; V1012-V1026 HydrophobicContact CG1-CG2 4.46Å; V1012-V1026 HydrophobicContact CG2-CG1 4.42Å; V1012-V1026 HydrophobicContact CG2-CG2 4.28Å; V1026-N1043 PolarHBondContact O-ND2 3.23Å |
| 1027 | G | 77.4 | Confident | 70.3 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 170.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q1010 C1011 | Q1010-G1027 VanDerWaalsContact CG-O 3.31Å; Q1010-G1027 WeakPolarHBondContact CG-O 3.44Å; Q1010-G1027 PolarHBondContact NE2-O 3.41Å; C1011-G1027 PolarHBondContact O-N 2.75Å |
| 1028 | E | 79.3 | Confident | 71.5 | Confident | 105 Ų | 105 | 39.4 Ų | 39.4 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 151 | 172.5 | -72.4 | -61 | 142 | 0 | 0 | 112.1 | M1030 S1039 | E1028-M1030 HydrophobicContact CB-CE 3.66Å; E1028-M1030 HydrophobicContact CG-CE 4.48Å; E1028-M1030 PolarHBondContact O-N 3.35Å; E1028-S1039 PolarHBondContact N-OG 2.69Å |
| 1029 | P | 77.3 | Confident | 72.4 | Confident | 55 Ų | 55 | 37.4 Ų | 37.4 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123.6 | 167.3 | -15.8 | 30.8 | 0 | 0 | 0 | 111.1 | L1008 Q1010 | L1008-P1029 HydrophobicContact CB-CB 4.23Å; L1008-P1029 HydrophobicContact CD1-CB 4.46Å; Q1010-P1029 HydrophobicContact CB-CB 4.41Å; Q1010-P1029 HydrophobicContact CB-CG 4.43Å |
| 1030 | M | 76.4 | Confident | 73.1 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 11% | 0.108 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.9 | -172.7 | -71.4 | -78.6 | 158.8 | 0 | 0 | 111.3 | I930 L931 Y1009 E1028 C1032 L1035 A1036 | I930-M1030 HydrophobicContact CG2-CE 4.35Å; I930-M1030 HydrophobicContact CG2-SD 4.02Å; L931-M1030 HydrophobicContact CD1-CE 3.98Å; L931-M1030 HydrophobicContact CD2-CE 4.43Å; L931-M1030 HydrophobicContact CG-CE 4.15Å; Y1009-M1030 PolarHBondContact N-O 2.75Å; Y1009-M1030 PolarHBondContact O-N 3.25Å; E1028-M1030 HydrophobicContact CB-CE 3.66Å; E1028-M1030 HydrophobicContact CG-CE 4.48Å; E1028-M1030 PolarHBondContact O-N 3.35Å; M1030-C1032 PolarHBondContact O-N 3Å; M1030-L1035 HydrophobicContact CB-CB 3.83Å; M1030-L1035 HydrophobicContact CG-CB 4Å; M1030-L1035 HydrophobicContact SD-CB 4.05Å; M1030-A1036 HydrophobicContact CB-CB 4.22Å |
| 1031 | V | 70.6 | Confident | 74 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 43% | 0.43 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -63.6 | -10 | 179.2 | -75.5 | 0 | 0 | 0 | 0 | 115 | L1008 | L1008-V1031 HydrophobicContact CD2-CG1 3.92Š|
| 1032 | C | 69.1 | Low | 74.8 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -146.1 | 153.9 | 170.1 | 81.9 | 0 | 0 | 0 | 0 | 113.4 | I922 M1030 K1034 L1035 A1036 | I922-C1032 WeakPolarHBondContact CD1-SG 3.21Å; M1030-C1032 PolarHBondContact O-N 3Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 2.8Å; C1032-L1035 PolarHBondContact O-N 3.12Å; C1032-L1035 VanDerWaalsContact SG-CG 3.56Å; C1032-A1036 PolarHBondContact O-N 3.42Å |
| 1033 | K | 68.1 | Low | 75.8 | Confident | 42 Ų | 42 | 34 Ų | 34 | 18% | 0.183 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -30.8 | -175.1 | -66.5 | 173.4 | -175.8 | 170.5 | 0 | 114.1 | V915 W974 Y1009 A1036 K1037 | V915-K1033 HydrophobicContact CG1-CD 3.7Å; W974-K1033 HydrophobicContact CE3-CB 3.91Å; W974-K1033 HydrophobicContact CE3-CD 4.45Å; W974-K1033 HydrophobicContact CE3-CG 4.18Å; W974-K1033 HydrophobicContact CZ3-CB 3.8Å; Y1009-K1033 HydrophobicContact CD1-CD 4.23Å; Y1009-K1033 VanDerWaalsContact CD1-CE 3.47Å; Y1009-K1033 HydrophobicContact CD1-CG 3.65Å; Y1009-K1033 HydrophobicContact CD2-CG 4.19Å; Y1009-K1033 HydrophobicContact CE1-CD 4.36Å; Y1009-K1033 HydrophobicContact CE1-CG 4.16Å; Y1009-K1033 HydrophobicContact CG-CG 3.67Å; K1033-A1036 WeakPolarHBondContact O-CB 3.35Å; K1033-A1036 PolarHBondContact O-N 3.32Å; K1033-K1037 PolarHBondContact O-N 3.05Å |
| 1034 | K | 69.6 | Low | 76.8 | Confident | 46 Ų | 46 | 27.1 Ų | 27.1 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.4 | -41.9 | 177.9 | -163 | -177.2 | -169.2 | 173.7 | 0 | 112.2 | E919 I922 C1032 A1036 K1037 Y1038 | E919-K1034 WeakPolarHBondContact O-CD 3.23Å; E919-K1034 WeakPolarHBondContact O-CE 3.42Å; E919-K1034 PolarHBondContact O-NZ 2.96Å; I922-K1034 HydrophobicContact CD1-CB 4.18Å; I922-K1034 HydrophobicContact CD1-CD 4.28Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 2.8Å; K1034-A1036 VanDerWaalsContact C-N 3.31Å; K1034-K1037 WeakPolarHBondContact O-CB 3.19Å; K1034-K1037 PolarHBondContact O-N 3.25Å; K1034-Y1038 HydrophobicContact CD-CE2 4.17Å; K1034-Y1038 HydrophobicContact CG-CD2 4.13Å; K1034-Y1038 HydrophobicContact CG-CE2 3.81Å; K1034-Y1038 WeakPolarHBondContact O-CD2 3.48Å; K1034-Y1038 PolarHBondContact O-N 2.97Å |
| 1035 | L | 74.5 | Confident | 77.6 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 172.7 | -70.7 | 172 | 0 | 0 | 0 | 111.3 | V927 I930 M1030 C1032 Y1038 S1039 | V927-L1035 HydrophobicContact CB-CD2 4.46Å; V927-L1035 HydrophobicContact CG1-CD2 4.06Å; V927-L1035 HydrophobicContact CG2-CD2 4.22Å; I930-L1035 HydrophobicContact CD1-CD1 3.66Å; I930-L1035 HydrophobicContact CD1-CD2 3.69Å; I930-L1035 HydrophobicContact CD1-CG 4.35Å; M1030-L1035 HydrophobicContact CB-CB 3.83Å; M1030-L1035 HydrophobicContact CG-CB 4Å; M1030-L1035 HydrophobicContact SD-CB 4.05Å; C1032-L1035 PolarHBondContact O-N 3.12Å; C1032-L1035 VanDerWaalsContact SG-CG 3.56Å; L1035-Y1038 PolarHBondContact O-N 2.92Å; L1035-S1039 PolarHBondContact O-N 3.46Å |
| 1036 | A | 80.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1009 C1011 M1030 C1032 K1033 K1034 Y1038 S1039 A1040 | Y1009-A1036 WeakPolarHBondContact O-CB 3.21Å; C1011-A1036 HydrophobicContact CB-CB 3.85Å; C1011-A1036 WeakPolarHBondContact CB-O 3.31Å; M1030-A1036 HydrophobicContact CB-CB 4.22Å; C1032-A1036 PolarHBondContact O-N 3.42Å; K1033-A1036 WeakPolarHBondContact O-CB 3.35Å; K1033-A1036 PolarHBondContact O-N 3.32Å; K1034-A1036 VanDerWaalsContact C-N 3.31Å; A1036-Y1038 VanDerWaalsContact C-N 3.35Å; A1036-Y1038 PolarHBondContact O-N 3.49Å; A1036-S1039 PolarHBondContact O-N 3.34Å; A1036-A1040 PolarHBondContact O-N 3.47Å; A1036-A1040 VanDerWaalsContact O-N 3.08Å |
| 1037 | K | 77.5 | Confident | 78 | Confident | 24 Ų | 24 | 30 Ų | 30 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.9 | -50.9 | 171.9 | -91.8 | 171.3 | 162.9 | 169.4 | 0 | 111.3 | E919 I950 W972 W974 K1033 K1034 S1039 A1040 A1041 | E919-K1037 IonicContact OE1-NZ 3.82Å; E919-K1037 PolarHBondContact OE1-NZ 3.2Å; E919-K1037 IonicContact OE2-NZ 3.9Å; E919-K1037 PolarHBondContact OE2-NZ 3.25Å; I950-K1037 HydrophobicContact CD1-CB 3.98Å; W972-K1037 HydrophobicContact CD2-CG 4.37Å; W972-K1037 HydrophobicContact CE3-CB 4.34Å; W972-K1037 HydrophobicContact CE3-CG 3.96Å; W972-K1037 HydrophobicContact CZ3-CB 4.46Å; W972-K1037 WeakPolarHBondContact CZ3-O 3.16Å; W974-K1037 HydrophobicContact CH2-CD 4.09Å; W974-K1037 VanDerWaalsContact CH2-CE 3.42Å; W974-K1037 HydrophobicContact CH2-CG 4.45Å; W974-K1037 HydrophobicContact CZ3-CD 3.93Å; W974-K1037 HydrophobicContact CZ3-CG 3.89Å; K1033-K1037 PolarHBondContact O-N 3.05Å; K1034-K1037 WeakPolarHBondContact O-CB 3.19Å; K1034-K1037 PolarHBondContact O-N 3.25Å; K1037-S1039 PolarHBondContact O-N 3.08Å; K1037-A1040 PolarHBondContact O-N 2.92Å; K1037-A1041 WeakPolarHBondContact O-CB 3.31Å; K1037-A1041 PolarHBondContact O-N 2.82Å |
| 1038 | Y | 80.1 | Confident | 78 | Confident | 32 Ų | 32 | 30 Ų | 30 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | -179.3 | -82.8 | -55 | 0 | 0 | 0 | 113 | V927 L946 S947 I950 K1034 L1035 A1036 A1041 F1042 | V927-Y1038 HydrophobicContact CG1-CD2 3.86Å; V927-Y1038 HydrophobicContact CG1-CE2 4.05Å; V927-Y1038 HydrophobicContact CG1-CG 4.33Å; V927-Y1038 HydrophobicContact CG2-CE2 4.47Å; L946-Y1038 WeakPolarHBondContact O-CD1 3.27Å; S947-Y1038 WeakPolarHBondContact O-CE1 3.46Å; I950-Y1038 HydrophobicContact CD1-CD1 3.65Å; I950-Y1038 HydrophobicContact CD1-CE1 3.64Å; I950-Y1038 HydrophobicContact CD1-CG 4.16Å; I950-Y1038 HydrophobicContact CG1-CD1 3.82Å; I950-Y1038 HydrophobicContact CG1-CE1 3.96Å; K1034-Y1038 HydrophobicContact CD-CE2 4.17Å; K1034-Y1038 HydrophobicContact CG-CD2 4.13Å; K1034-Y1038 HydrophobicContact CG-CE2 3.81Å; K1034-Y1038 WeakPolarHBondContact O-CD2 3.48Å; K1034-Y1038 PolarHBondContact O-N 2.97Å; L1035-Y1038 PolarHBondContact O-N 2.92Å; A1036-Y1038 VanDerWaalsContact C-N 3.35Å; A1036-Y1038 PolarHBondContact O-N 3.49Å; Y1038-A1041 PolarHBondContact O-N 3.38Å; Y1038-F1042 WeakPolarHBondContact O-CB 3.27Å; Y1038-F1042 PolarHBondContact O-N 3.29Å |
| 1039 | S | 82.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | E1028 L1035 A1036 K1037 A1041 F1042 N1043 | E1028-S1039 PolarHBondContact N-OG 2.69Å; L1035-S1039 PolarHBondContact O-N 3.46Å; A1036-S1039 PolarHBondContact O-N 3.34Å; K1037-S1039 PolarHBondContact O-N 3.08Å; S1039-A1041 VanDerWaalsContact C-N 3.28Å; S1039-A1041 PolarHBondContact O-N 3.01Å; S1039-F1042 WeakPolarHBondContact O-CB 3.12Å; S1039-F1042 PolarHBondContact O-N 3.4Å; S1039-N1043 PolarHBondContact O-N 3.13Å; S1039-N1043 VanDerWaalsContact O-N 3.08Å |
| 1040 | A | 82.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1011 L1013 A1036 K1037 A1044 | C1011-A1040 HydrophobicContact CB-CB 3.88Å; L1013-A1040 HydrophobicContact CB-CB 3.96Å; A1036-A1040 PolarHBondContact O-N 3.47Å; A1036-A1040 VanDerWaalsContact O-N 3.08Å; K1037-A1040 PolarHBondContact O-N 2.92Å; A1040-A1044 PolarHBondContact O-N 2.92Å; A1040-A1044 VanDerWaalsContact O-N 3.14Å |
| 1041 | A | 83.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A949 I950 I953 W972 K1037 Y1038 S1039 A1044 I1045 | A949-A1041 HydrophobicContact CB-CB 3.57Å; I950-A1041 HydrophobicContact CG1-CB 4.05Å; I953-A1041 HydrophobicContact CD1-CB 3.79Å; I953-A1041 WeakPolarHBondContact CD1-O 3.31Å; W972-A1041 HydrophobicContact CH2-CB 3.75Å; W972-A1041 HydrophobicContact CZ3-CB 3.99Å; K1037-A1041 WeakPolarHBondContact O-CB 3.31Å; K1037-A1041 PolarHBondContact O-N 2.82Å; Y1038-A1041 PolarHBondContact O-N 3.38Å; S1039-A1041 VanDerWaalsContact C-N 3.28Å; S1039-A1041 PolarHBondContact O-N 3.01Å; A1041-A1044 PolarHBondContact O-N 3.17Å; A1041-I1045 PolarHBondContact O-N 2.92Å |
| 1042 | F | 83.7 | Confident | 77.4 | Confident | 16 Ų | 16 | 32 Ų | 32 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.7 | -166.2 | -112.4 | 0 | 0 | 0 | 111.8 | P932 I934 F944 L946 Y1038 S1039 A1044 I1045 H1046 | P932-F1042 WeakPolarHBondContact O-CZ 3.48Å; I934-F1042 HydrophobicContact CB-CZ 4.29Å; I934-F1042 HydrophobicContact CD1-CD1 3.97Å; I934-F1042 HydrophobicContact CD1-CD2 4.44Å; I934-F1042 HydrophobicContact CD1-CE1 3.46Å; I934-F1042 VanDerWaalsContact CD1-CE1 3.46Å; I934-F1042 HydrophobicContact CD1-CE2 4Å; I934-F1042 HydrophobicContact CD1-CG 4.46Å; I934-F1042 HydrophobicContact CD1-CZ 3.5Å; I934-F1042 HydrophobicContact CG1-CE1 3.71Å; I934-F1042 HydrophobicContact CG1-CE2 4.29Å; I934-F1042 HydrophobicContact CG1-CZ 3.51Å; F944-F1042 AromaticContact CD1-CD2 3.81Å; F944-F1042 HydrophobicContact CD1-CD2 3.81Å; F944-F1042 AromaticContact CD1-CE2 3.74Å; F944-F1042 HydrophobicContact CD1-CE2 3.74Å; F944-F1042 AromaticContact CE1-CD2 3.97Å; F944-F1042 HydrophobicContact CE1-CD2 3.97Å; F944-F1042 HydrophobicContact CE1-CE2 4.35Å; L946-F1042 HydrophobicContact CD1-CB 3.63Å; L946-F1042 HydrophobicContact CD1-CD1 4.09Å; L946-F1042 HydrophobicContact CD1-CD2 3.59Å; L946-F1042 HydrophobicContact CD1-CE2 4.09Å; L946-F1042 HydrophobicContact CD1-CG 3.55Å; Y1038-F1042 WeakPolarHBondContact O-CB 3.27Å; Y1038-F1042 PolarHBondContact O-N 3.29Å; S1039-F1042 WeakPolarHBondContact O-CB 3.12Å; S1039-F1042 PolarHBondContact O-N 3.4Å; F1042-A1044 VanDerWaalsContact C-N 3.31Å; F1042-A1044 PolarHBondContact O-N 3.22Å; F1042-I1045 PolarHBondContact O-N 3.05Å; F1042-H1046 PolarHBondContact O-N 3.11Å |
| 1043 | N | 81.8 | Confident | 77.5 | Confident | 54 Ų | 54 | 32.5 Ų | 32.5 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 175.3 | -68.8 | 1.1 | 0 | 0 | 0 | 111.9 | I1025 V1026 S1039 H1046 L1047 | I1025-N1043 HydrophobicContact CG2-CB 3.82Å; V1026-N1043 PolarHBondContact O-ND2 3.23Å; S1039-N1043 PolarHBondContact O-N 3.13Å; S1039-N1043 VanDerWaalsContact O-N 3.08Å; N1043-H1046 PolarHBondContact O-N 2.87Å; N1043-L1047 WeakPolarHBondContact O-CG 3.45Å; N1043-L1047 PolarHBondContact O-N 2.96Å; N1043-L1047 VanDerWaalsContact O-N 3.08Å |
| 1044 | A | 82.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I953 L1013 I1025 A1040 A1041 F1042 H1046 L1047 L1048 | I953-A1044 HydrophobicContact CD1-CB 3.68Å; L1013-A1044 HydrophobicContact CD2-CB 3.49Å; L1013-A1044 VanDerWaalsContact CD2-CB 3.49Å; I1025-A1044 HydrophobicContact CB-CB 4.38Å; I1025-A1044 HydrophobicContact CD1-CB 3.4Å; I1025-A1044 HydrophobicContact CG1-CB 4.44Å; I1025-A1044 HydrophobicContact CG2-CB 3.93Å; A1040-A1044 PolarHBondContact O-N 2.92Å; A1040-A1044 VanDerWaalsContact O-N 3.14Å; A1041-A1044 PolarHBondContact O-N 3.17Å; F1042-A1044 VanDerWaalsContact C-N 3.31Å; F1042-A1044 PolarHBondContact O-N 3.22Å; A1044-H1046 VanDerWaalsContact C-N 3.28Å; A1044-H1046 PolarHBondContact O-N 3.16Å; A1044-L1047 PolarHBondContact O-N 2.81Å; A1044-L1048 WeakPolarHBondContact O-CG 3.4Å; A1044-L1048 PolarHBondContact O-N 3.32Å |
| 1045 | I | 81.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | 173 | -77.5 | 173.9 | 0 | 0 | 0 | 110.7 | F944 A949 I952 I953 A1041 F1042 L1048 Y1049 M1054 W1058 | F944-I1045 HydrophobicContact CD1-CG2 4.15Å; F944-I1045 HydrophobicContact CE1-CB 4.48Å; F944-I1045 HydrophobicContact CE1-CD1 3.7Å; F944-I1045 HydrophobicContact CE1-CG2 3.85Å; F944-I1045 HydrophobicContact CZ-CD1 3.56Å; F944-I1045 HydrophobicContact CZ-CG2 4.29Å; A949-I1045 HydrophobicContact CB-CD1 3.97Å; A949-I1045 WeakPolarHBondContact O-CD1 3.19Å; I952-I1045 HydrophobicContact CB-CD1 3.9Å; I952-I1045 HydrophobicContact CG2-CD1 4.1Å; I952-I1045 HydrophobicContact CG2-CG1 4.46Å; I953-I1045 HydrophobicContact CD1-CG1 4.19Å; I953-I1045 HydrophobicContact CG1-CD1 4.06Å; I953-I1045 HydrophobicContact CG1-CG1 3.85Å; A1041-I1045 PolarHBondContact O-N 2.92Å; F1042-I1045 PolarHBondContact O-N 3.05Å; I1045-L1048 PolarHBondContact O-N 3.36Å; I1045-Y1049 WeakPolarHBondContact O-CB 3.44Å; I1045-Y1049 PolarHBondContact O-N 3.04Å; I1045-Y1049 VanDerWaalsContact O-N 3.08Å; I1045-M1054 HydrophobicContact CB-CE 4.28Å; I1045-M1054 HydrophobicContact CG2-CE 3.8Å; I1045-M1054 WeakPolarHBondContact O-CE 3.43Å; I1045-W1058 HydrophobicContact CG2-CE3 3.6Å; I1045-W1058 HydrophobicContact CG2-CH2 4.46Å; I1045-W1058 HydrophobicContact CG2-CZ3 3.49Å; I1045-W1058 VanDerWaalsContact CG2-CZ3 3.49Å |
| 1046 | H | 79.4 | Confident | 76.8 | Confident | 79 Ų | 79 | 31.6 Ų | 31.6 | 37% | 0.366 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 172.6 | -171.5 | -98.9 | 0 | 0 | 0 | 112.6 | I934 F1042 N1043 A1044 Y1049 L1050 | I934-H1046 HydrophobicContact CD1-CB 4.31Å; F1042-H1046 PolarHBondContact O-N 3.11Å; N1043-H1046 PolarHBondContact O-N 2.87Å; A1044-H1046 VanDerWaalsContact C-N 3.28Å; A1044-H1046 PolarHBondContact O-N 3.16Å; H1046-Y1049 PolarHBondContact O-N 3.32Å; H1046-L1050 WeakPolarHBondContact O-CG 3.45Å; H1046-L1050 PolarHBondContact O-N 2.79Å; H1046-L1050 VanDerWaalsContact O-N 3.12Å |
| 1047 | L | 78.6 | Confident | 75.7 | Confident | 57 Ų | 57 | 37.4 Ų | 37.4 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.6 | -69.2 | 169.3 | 0 | 0 | 0 | 113 | V1021 I1025 N1043 A1044 Y1049 L1050 S1051 | V1021-L1047 HydrophobicContact CG1-CB 3.96Å; V1021-L1047 HydrophobicContact CG1-CD1 4.07Å; V1021-L1047 HydrophobicContact CG2-CB 4.09Å; I1025-L1047 HydrophobicContact CD1-CD1 4.17Å; I1025-L1047 HydrophobicContact CG1-CD1 3.95Å; I1025-L1047 HydrophobicContact CG2-CD1 3.96Å; N1043-L1047 WeakPolarHBondContact O-CG 3.45Å; N1043-L1047 PolarHBondContact O-N 2.96Å; N1043-L1047 VanDerWaalsContact O-N 3.08Å; A1044-L1047 PolarHBondContact O-N 2.81Å; L1047-Y1049 VanDerWaalsContact C-N 3.27Å; L1047-Y1049 PolarHBondContact O-N 3.16Å; L1047-L1050 CarbonylContact O-C 3.45Å; L1047-L1050 PolarHBondContact O-N 3.19Å; L1047-L1050 VanDerWaalsContact O-N 3.15Å; L1047-S1051 PolarHBondContact O-N 3.3Å |
| 1048 | L | 79.1 | Confident | 74.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -25.7 | 176.3 | -72.5 | 169.6 | 0 | 0 | 0 | 113.3 | Y956 L1015 V1021 A1044 I1045 S1051 G1052 E1053 M1054 | Y956-L1048 HydrophobicContact CD1-CD1 3.95Å; Y956-L1048 HydrophobicContact CD2-CD1 4.37Å; Y956-L1048 HydrophobicContact CE1-CD1 4Å; Y956-L1048 HydrophobicContact CE1-CD2 3.9Å; Y956-L1048 HydrophobicContact CE2-CD1 4.4Å; Y956-L1048 HydrophobicContact CE2-CD2 3.9Å; Y956-L1048 HydrophobicContact CG-CD1 4.15Å; Y956-L1048 VanDerWaalsContact CZ-CD2 3.46Å; Y956-L1048 WeakPolarHBondContact OH-CD2 3.49Å; L1015-L1048 HydrophobicContact CD1-CD1 4.05Å; L1015-L1048 HydrophobicContact CD1-CD2 4.18Å; L1015-L1048 HydrophobicContact CD1-CG 4.28Å; V1021-L1048 HydrophobicContact CB-CD2 4.19Å; V1021-L1048 HydrophobicContact CG2-CD2 3.81Å; V1021-L1048 HydrophobicContact CG2-CG 4.26Å; A1044-L1048 WeakPolarHBondContact O-CG 3.4Å; A1044-L1048 PolarHBondContact O-N 3.32Å; I1045-L1048 PolarHBondContact O-N 3.36Å; L1048-S1051 WeakPolarHBondContact CA-OG 3.22Å; L1048-S1051 PolarHBondContact O-OG 3.39Å; L1048-G1052 PolarHBondContact O-N 3.31Å; L1048-E1053 PolarHBondContact O-N 2.97Å; L1048-E1053 VanDerWaalsContact O-N 3.13Å; L1048-M1054 HydrophobicContact CB-CE 3.78Å; L1048-M1054 HydrophobicContact CB-SD 4.47Å |
| 1049 | Y | 77 | Confident | 73.9 | Confident | 74 Ų | 74 | 40.7 Ų | 40.7 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.1 | -40.8 | 169.6 | 178.6 | -111.5 | 0 | 0 | 0 | 111.3 | P936 I1045 H1046 L1047 S1051 G1052 W1058 | P936-Y1049 HydrophobicContact CB-CE1 4.24Å; I1045-Y1049 WeakPolarHBondContact O-CB 3.44Å; I1045-Y1049 PolarHBondContact O-N 3.04Å; I1045-Y1049 VanDerWaalsContact O-N 3.08Å; H1046-Y1049 PolarHBondContact O-N 3.32Å; L1047-Y1049 VanDerWaalsContact C-N 3.27Å; L1047-Y1049 PolarHBondContact O-N 3.16Å; Y1049-S1051 VanDerWaalsContact C-N 3.35Å; Y1049-S1051 PolarHBondContact O-N 3.36Å; Y1049-G1052 PolarHBondContact O-N 2.63Å; Y1049-W1058 HydrophobicContact CG-CH2 4.37Å; Y1049-W1058 HydrophobicContact CG-CZ3 4.16Å |
| 1050 | L | 73.7 | Confident | 73 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 63% | 0.634 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -68.8 | -27.7 | 175.3 | -69.5 | 174.4 | 0 | 0 | 0 | 113.6 | H1046 L1047 G1052 | H1046-L1050 WeakPolarHBondContact O-CG 3.45Å; H1046-L1050 PolarHBondContact O-N 2.79Å; H1046-L1050 VanDerWaalsContact O-N 3.12Å; L1047-L1050 CarbonylContact O-C 3.45Å; L1047-L1050 PolarHBondContact O-N 3.19Å; L1047-L1050 VanDerWaalsContact O-N 3.15Å; L1050-G1052 VanDerWaalsContact C-N 3.3Å |
| 1051 | S | 69.9 | Low | 71.9 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.8 | 172.2 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | S1020 L1047 L1048 Y1049 | S1020-S1051 WeakPolarHBondContact OG-CB 3.45Å; S1020-S1051 PolarHBondContact OG-OG 3.09Å; L1047-S1051 PolarHBondContact O-N 3.3Å; L1048-S1051 WeakPolarHBondContact CA-OG 3.22Å; L1048-S1051 PolarHBondContact O-OG 3.39Å; Y1049-S1051 VanDerWaalsContact C-N 3.35Å; Y1049-S1051 PolarHBondContact O-N 3.36Å |
| 1052 | G | 69.3 | Low | 70.4 | Confident | 49 Ų | 49 | 51 Ų | 51 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 19.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1048 Y1049 L1050 I1061 | L1048-G1052 PolarHBondContact O-N 3.31Å; Y1049-G1052 PolarHBondContact O-N 2.63Å; L1050-G1052 VanDerWaalsContact C-N 3.3Å; G1052-I1061 WeakPolarHBondContact O-CD1 3.13Å |
| 1053 | E | 72.2 | Confident | 68.7 | Low | 28 Ų | 28 | 57 Ų | 57 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | trans | -93.8 | -1.5 | 178.1 | -65.1 | -167.2 | 141.3 | 0 | 0 | 114 | Y956 S1020 L1048 I1061 R1063 | Y956-E1053 HydrophobicContact CE2-CB 4.41Å; Y956-E1053 WeakPolarHBondContact CE2-OE2 3.16Å; Y956-E1053 PolarHBondContact OH-OE2 3.37Å; S1020-E1053 VanDerWaalsContact CB-CD 3.45Å; S1020-E1053 VanDerWaalsContact CB-OE2 3.26Å; S1020-E1053 WeakPolarHBondContact CB-OE2 3.28Å; S1020-E1053 PolarHBondContact N-OE2 2.91Å; S1020-E1053 PolarHBondContact OG-OE2 3.2Å; L1048-E1053 PolarHBondContact O-N 2.97Å; L1048-E1053 VanDerWaalsContact O-N 3.13Å; E1053-I1061 PolarHBondContact O-N 3.24Å; E1053-R1063 IonicContact OE1-CZ 3.68Å; E1053-R1063 IonicContact OE1-NH2 3.7Å; E1053-R1063 PolarHBondContact OE1-NH2 3.19Å | ||
| 1054 | M | 70.2 | Confident | 66.5 | Low | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 146 | 172.3 | -65.9 | -173 | -53.7 | 0 | 0 | 111.6 | I952 I1045 L1048 W1058 E1059 L1060 | I952-M1054 HydrophobicContact CG2-SD 4.12Å; I1045-M1054 HydrophobicContact CB-CE 4.28Å; I1045-M1054 HydrophobicContact CG2-CE 3.8Å; I1045-M1054 WeakPolarHBondContact O-CE 3.43Å; L1048-M1054 HydrophobicContact CB-CE 3.78Å; L1048-M1054 HydrophobicContact CB-SD 4.47Å; M1054-W1058 HydrophobicContact CE-CE3 3.93Å; M1054-W1058 HydrophobicContact CE-CZ3 4.09Å; M1054-E1059 WeakPolarHBondContact CA-O 3.14Å; M1054-L1060 HydrophobicContact CG-CD2 3.91Å |
| 1055 | D | 66.7 | Low | 63.8 | Low | 37 Ų | 37 | 66 Ų | 66 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | trans | -81 | 175.9 | -176.9 | 104 | -50.4 | 0 | 0 | 0 | 113.2 | K1057 W1058 E1059 I1061 | D1055-K1057 VanDerWaalsContact CG-N 3.26Å; D1055-K1057 PolarHBondContact O-N 3.09Å; D1055-K1057 VanDerWaalsContact O-N 3.09Å; D1055-K1057 WeakPolarHBondContact OD1-CA 3.47Å; D1055-K1057 VanDerWaalsContact OD1-CB 3.28Å; D1055-K1057 WeakPolarHBondContact OD1-CB 3.49Å; D1055-K1057 PolarHBondContact OD1-N 2.81Å; D1055-K1057 WeakPolarHBondContact OD2-CD 3.4Å; D1055-K1057 VanDerWaalsContact OD2-CG 3.3Å; D1055-K1057 WeakPolarHBondContact OD2-CG 3.46Å; D1055-K1057 PolarHBondContact OD2-N 3.3Å; D1055-W1058 PolarHBondContact O-N 3.26Å; D1055-W1058 VanDerWaalsContact O-N 3.12Å; D1055-W1058 PolarHBondContact OD1-N 3.47Å; D1055-W1058 VanDerWaalsContact OD1-N 3.14Å; D1055-E1059 PolarHBondContact N-O 3.21Å; D1055-E1059 WeakPolarHBondContact OD1-CA 3.29Å; D1055-E1059 WeakPolarHBondContact OD1-CB 3.25Å; D1055-E1059 PolarHBondContact OD1-N 3.06Å; D1055-I1061 HydrophobicContact CB-CD1 4.44Å; D1055-I1061 HydrophobicContact CB-CG1 4.1Å | ||
| 1056 | S | 60.7 | Low | 61.1 | Low | 32 Ų | 32 | 73.1 Ų | 73.1 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.3 | 177.7 | 67.8 | 0 | 0 | 0 | 0 | 116.2 | R937 P942 | R937-S1056 PolarHBondContact NH2-OG 3.44Å; P942-S1056 WeakPolarHBondContact CG-O 3.15Å |
| 1057 | K | 57.2 | Low | 58.6 | Low | 122 Ų | 122 | 74.6 Ų | 74.6 | 53% | 0.53 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -3.3 | 173.8 | -50.7 | 165 | -167.5 | 167.5 | 0 | 113.3 | D1055 E1059 | D1055-K1057 VanDerWaalsContact CG-N 3.26Å; D1055-K1057 PolarHBondContact O-N 3.09Å; D1055-K1057 VanDerWaalsContact O-N 3.09Å; D1055-K1057 WeakPolarHBondContact OD1-CA 3.47Å; D1055-K1057 VanDerWaalsContact OD1-CB 3.28Å; D1055-K1057 WeakPolarHBondContact OD1-CB 3.49Å; D1055-K1057 PolarHBondContact OD1-N 2.81Å; D1055-K1057 WeakPolarHBondContact OD2-CD 3.4Å; D1055-K1057 VanDerWaalsContact OD2-CG 3.3Å; D1055-K1057 WeakPolarHBondContact OD2-CG 3.46Å; D1055-K1057 PolarHBondContact OD2-N 3.3Å; K1057-E1059 HydrophobicContact CB-CG 4.18Å; K1057-E1059 HydrophobicContact CD-CG 4.44Å; K1057-E1059 WeakPolarHBondContact CD-OE2 3.49Å; K1057-E1059 IonicContact NZ-OE2 3.26Å; K1057-E1059 PolarHBondContact NZ-OE2 3.31Å |
| 1058 | W | 56.2 | Low | 56.1 | Low | 16 Ų | 16 | 78 Ų | 78 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 70.8 | 27.9 | -167.8 | -45.8 | 95.1 | 0 | 0 | 0 | 114.2 | I934 P936 P942 F944 I1045 Y1049 M1054 D1055 | I934-W1058 HydrophobicContact CB-CH2 4.48Å; I934-W1058 HydrophobicContact CB-CZ2 4.2Å; I934-W1058 HydrophobicContact CG2-CH2 3.93Å; I934-W1058 HydrophobicContact CG2-CZ2 3.72Å; P936-W1058 HydrophobicContact CB-CZ2 4.24Å; P936-W1058 HydrophobicContact CG-CZ2 3.96Å; P942-W1058 PolarHBondContact O-NE1 2.87Å; F944-W1058 HydrophobicContact CB-CD2 4.25Å; F944-W1058 HydrophobicContact CB-CG 4.45Å; F944-W1058 HydrophobicContact CB-CZ2 4.14Å; F944-W1058 HydrophobicContact CD2-CB 4.34Å; F944-W1058 HydrophobicContact CD2-CD2 4.29Å; F944-W1058 HydrophobicContact CD2-CG 4.04Å; F944-W1058 HydrophobicContact CG-CD2 4.25Å; F944-W1058 HydrophobicContact CG-CG 4.42Å; I1045-W1058 HydrophobicContact CG2-CE3 3.6Å; I1045-W1058 HydrophobicContact CG2-CH2 4.46Å; I1045-W1058 HydrophobicContact CG2-CZ3 3.49Å; I1045-W1058 VanDerWaalsContact CG2-CZ3 3.49Å; Y1049-W1058 HydrophobicContact CG-CH2 4.37Å; Y1049-W1058 HydrophobicContact CG-CZ3 4.16Å; M1054-W1058 HydrophobicContact CE-CE3 3.93Å; M1054-W1058 HydrophobicContact CE-CZ3 4.09Å; D1055-W1058 PolarHBondContact O-N 3.26Å; D1055-W1058 VanDerWaalsContact O-N 3.12Å; D1055-W1058 PolarHBondContact OD1-N 3.47Å; D1055-W1058 VanDerWaalsContact OD1-N 3.14Å |
| 1059 | E | 63.4 | Low | 53.5 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | trans | -92.4 | 153.9 | 168.1 | -61.2 | -179.6 | 149.7 | 0 | 0 | 109.7 | M1054 D1055 K1057 | M1054-E1059 WeakPolarHBondContact CA-O 3.14Å; D1055-E1059 PolarHBondContact N-O 3.21Å; D1055-E1059 WeakPolarHBondContact OD1-CA 3.29Å; D1055-E1059 WeakPolarHBondContact OD1-CB 3.25Å; D1055-E1059 PolarHBondContact OD1-N 3.06Å; K1057-E1059 HydrophobicContact CB-CG 4.18Å; K1057-E1059 HydrophobicContact CD-CG 4.44Å; K1057-E1059 WeakPolarHBondContact CD-OE2 3.49Å; K1057-E1059 IonicContact NZ-OE2 3.26Å; K1057-E1059 PolarHBondContact NZ-OE2 3.31Å | ||
| 1060 | L | 63.9 | Low | 51 | Low | 30 Ų | 30 | 91.7 Ų | 91.7 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 132.1 | -177.2 | -77.7 | 158.9 | 0 | 0 | 0 | 110.1 | Q955 Y956 M1054 N1062 | Q955-L1060 HydrophobicContact CB-CD1 4.25Å; Y956-L1060 HydrophobicContact CD2-CD2 3.64Å; Y956-L1060 HydrophobicContact CG-CD2 4.34Å; M1054-L1060 HydrophobicContact CG-CD2 3.91Å; L1060-N1062 PolarHBondContact O-N 3.27Å |
| 1061 | I | 58.8 | Low | 48.7 | Very low | 89 Ų | 89 | 93.5 Ų | 93.5 | 46% | 0.456 | 48% | 0.483 | S | S | . | . | trans | -80 | 115.1 | -174.6 | -62.1 | 169.4 | 0 | 0 | 0 | 109.6 | G1052 E1053 D1055 | G1052-I1061 WeakPolarHBondContact O-CD1 3.13Å; E1053-I1061 PolarHBondContact O-N 3.24Å; D1055-I1061 HydrophobicContact CB-CD1 4.44Å; D1055-I1061 HydrophobicContact CB-CG1 4.1Å | ||
| 1062 | N | 52 | Low | 46.5 | Very low | 96 Ų | 96 | 96.9 Ų | 96.9 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | trans | -70.5 | 127.7 | 167.9 | -67.8 | -4.1 | 0 | 0 | 0 | 109 | L1060 | L1060-N1062 PolarHBondContact O-N 3.27Š| ||
| 1063 | R | 48.1 | Very low | 44.2 | Very low | 142 Ų | 142 | 99.6 Ų | 99.6 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -80.1 | -13.5 | 179.2 | -76.8 | -169.9 | 179.2 | 136.4 | 10.6 | 114.7 | E1053 E1119 | E1053-R1063 IonicContact OE1-CZ 3.68Å; E1053-R1063 IonicContact OE1-NH2 3.7Å; E1053-R1063 PolarHBondContact OE1-NH2 3.19Å; R1063-E1119 WeakPolarHBondContact CD-OE2 3.36Å; R1063-E1119 IonicContact CZ-OE1 2.69Å; R1063-E1119 IonicContact CZ-OE2 2.69Å; R1063-E1119 IonicContact NE-OE2 2.75Å; R1063-E1119 IonicContact NH1-OE1 2.79Å; R1063-E1119 PolarHBondContact NH1-OE1 2.96Å; R1063-E1119 IonicContact NH1-OE2 3.67Å; R1063-E1119 PolarHBondContact NH1-OE2 2.9Å |
| 1064 | E | 35.3 | Very low | 41.8 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 77% | 0.771 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -89.9 | -28.8 | -175.4 | -74.1 | 127.2 | -136.9 | 0 | 0 | 114.8 | N1066 | E1064-N1066 PolarHBondContact O-N 3.36Š|
| 1065 | T | 26.8 | Very low | 39.7 | Very low | 79 Ų | 79 | 113 Ų | 113 | 49% | 0.485 | 58% | 0.58 | S | S | . | * | trans | -85.3 | 100.2 | -178.3 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | P1067 | T1065-P1067 WeakPolarHBondContact O-CD 3.49Š| ||
| 1066 | N | 25.6 | Very low | 37.7 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 61% | 0.61 | S | S | * | * | trans | -112.1 | 88.8 | -178.3 | -172.1 | 14.4 | 0 | 0 | 0 | 113.7 | E1064 | E1064-N1066 PolarHBondContact O-N 3.36Š| ||
| 1067 | P | 25.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 123 Ų | 123 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | trans | -111 | 87.4 | 172 | 37.6 | -28.5 | 0 | 0 | 0 | 112.3 | T1065 | T1065-P1067 WeakPolarHBondContact O-CD 3.49Š| ||
| 1068 | M | 25.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 64% | 0.635 | 65% | 0.646 | S | S | * | * | 170 | 109.6 | 127.2 | -93.2 | -169.9 | 80.4 | 0 | 0 | 111.8 | L1071 | M1068-L1071 HydrophobicContact CE-CB 4.3Å; M1068-L1071 HydrophobicContact CE-CD1 4.18Å; M1068-L1071 HydrophobicContact CE-CG 4.5Å | |||
| 1069 | H | 25.3 | Very low | 32.8 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 88% | 0.884 | 69% | 0.686 | S | S | * | * | trans | -135.1 | 52 | 149.7 | -126.5 | -83.4 | 0 | 0 | 0 | 110.1 | ||||
| 1070 | H | 24.3 | Very low | 30.8 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | trans | -147 | 95.8 | 169.6 | -91.4 | -66.4 | 0 | 0 | 0 | 110.9 | ||||
| 1071 | L | 25.4 | Very low | 28.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -157.4 | 109.7 | 141.1 | -109.6 | 171.4 | 0 | 0 | 0 | 106.3 | M1068 | M1068-L1071 HydrophobicContact CE-CB 4.3Å; M1068-L1071 HydrophobicContact CE-CD1 4.18Å; M1068-L1071 HydrophobicContact CE-CG 4.5Å | ||
| 1072 | T | 22.5 | Very low | 27.1 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -73 | 164.9 | -179.5 | 41 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1073 | S | 22.4 | Very low | 25.7 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -53.9 | 133.1 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1074 | E | 22 | Very low | 24.5 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | 172.7 | 116 | 118.8 | -95.9 | 175.8 | -152.9 | 0 | 0 | 111.1 | |||||
| 1075 | N | 26 | Very low | 24.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | 178.3 | 134.4 | 125 | -100.7 | -74.3 | 0 | 0 | 0 | 113 | |||||
| 1076 | Y | 24 | Very low | 23.9 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -13.6 | 122.5 | 167.6 | -64.2 | -94 | 0 | 0 | 0 | 119.5 | ||||
| 1077 | G | 22.1 | Very low | 24.3 | Very low | 64 Ų | 64 | 142.3 Ų | 142.3 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | 60.9 | 135.8 | 86.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1078 | N | 23 | Very low | 24.2 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 104.3 | 167.8 | -60.2 | -43.6 | 0 | 0 | 0 | 118 | ||||
| 1079 | L | 25.8 | Very low | 24.1 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | -165.2 | 159.5 | 91.9 | -103.1 | 166.3 | 0 | 0 | 0 | 113.6 | |||||
| 1080 | K | 21.5 | Very low | 24.1 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | trans | -93.3 | 172.3 | 177.8 | -71.6 | 176.8 | 173 | 173.8 | 0 | 111.3 | ||||
| 1081 | L | 22.1 | Very low | 24.1 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | 71.8 | 146.5 | 165.6 | -59.9 | 137.7 | 0 | 0 | 0 | 112.6 | ||||
| 1082 | S | 22.8 | Very low | 24.1 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | cis | 178.6 | 167.7 | -2.2 | 43.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1083 | S | 23.1 | Very low | 24.3 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | cis | -178.2 | 147.5 | -22.9 | 56.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1084 | Q | 23.4 | Very low | 24.4 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 68.1 | 138.6 | 176.9 | -45.9 | 161.2 | 21.9 | 0 | 0 | 112.2 | ||||
| 1085 | H | 27 | Very low | 24.5 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 88% | 0.875 | 72% | 0.724 | S | S | * | * | cis | -100.4 | 108.8 | 15.8 | -73.6 | -91.1 | 0 | 0 | 0 | 114.2 | ||||
| 1086 | S | 22.9 | Very low | 24.5 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | trans | -86 | 172.5 | 141.3 | 65.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1087 | P | 33.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | -127.8 | -117.2 | -70 | 37.4 | -23.5 | 0 | 0 | 0 | 108.4 | |||||
| 1088 | M | 23.3 | Very low | 24.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 72% | 0.719 | 72% | 0.718 | S | S | * | * | trans | 100.5 | 146.4 | 154.8 | -58.9 | -123 | -179.9 | 0 | 0 | 119.4 | ||||
| 1089 | K | 24.3 | Very low | 24.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 56% | 0.557 | 72% | 0.72 | S | S | * | * | cis | 177.2 | 154.1 | -26.3 | -96.4 | -156 | -174.3 | 178.5 | 0 | 102.8 | ||||
| 1090 | Y | 25 | Very low | 24.4 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 60% | 0.596 | 71% | 0.71 | S | S | * | * | cis | -160.7 | 178.2 | -0.5 | -122.6 | -166.4 | 0 | 0 | 0 | 108 | ||||
| 1091 | K | 24.8 | Very low | 24.4 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 47% | 0.465 | 71% | 0.713 | S | S | . | * | 46.5 | 140.1 | 76.9 | -126.8 | -161.9 | -96.4 | -164.7 | 0 | 111.9 | F1093 | K1091-F1093 HydrophobicContact CD-CB 4.21Å; K1091-F1093 HydrophobicContact CD-CD1 3.88Å; K1091-F1093 HydrophobicContact CD-CD2 3.47Å; K1091-F1093 VanDerWaalsContact CD-CD2 3.47Å; K1091-F1093 HydrophobicContact CD-CE1 4Å; K1091-F1093 HydrophobicContact CD-CE2 3.58Å; K1091-F1093 HydrophobicContact CD-CG 3.61Å; K1091-F1093 HydrophobicContact CD-CZ 3.85Å; K1091-F1093 HydrophobicContact CG-CB 4.44Å; K1091-F1093 HydrophobicContact CG-CD2 3.45Å; K1091-F1093 VanDerWaalsContact CG-CD2 3.45Å; K1091-F1093 HydrophobicContact CG-CE2 3.71Å; K1091-F1093 HydrophobicContact CG-CG 4Å; K1091-F1093 HydrophobicContact CG-CZ 4.47Å | |||
| 1092 | S | 25 | Very low | 24.5 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | -168 | 141.7 | 77.4 | 31 | 0 | 0 | 0 | 0 | 110 | |||||
| 1093 | F | 25.6 | Very low | 24.4 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | 59.7 | 137.4 | 58.3 | -84.8 | -132.6 | 0 | 0 | 0 | 113.3 | K1091 | K1091-F1093 HydrophobicContact CD-CB 4.21Å; K1091-F1093 HydrophobicContact CD-CD1 3.88Å; K1091-F1093 HydrophobicContact CD-CD2 3.47Å; K1091-F1093 VanDerWaalsContact CD-CD2 3.47Å; K1091-F1093 HydrophobicContact CD-CE1 4Å; K1091-F1093 HydrophobicContact CD-CE2 3.58Å; K1091-F1093 HydrophobicContact CD-CG 3.61Å; K1091-F1093 HydrophobicContact CD-CZ 3.85Å; K1091-F1093 HydrophobicContact CG-CB 4.44Å; K1091-F1093 HydrophobicContact CG-CD2 3.45Å; K1091-F1093 VanDerWaalsContact CG-CD2 3.45Å; K1091-F1093 HydrophobicContact CG-CE2 3.71Å; K1091-F1093 HydrophobicContact CG-CG 4Å; K1091-F1093 HydrophobicContact CG-CZ 4.47Å | |||
| 1094 | S | 24.6 | Very low | 24.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -176.3 | 151.1 | 131.7 | 19.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1095 | S | 25 | Very low | 24.3 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | 179.6 | -171 | -18.8 | 53.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1096 | L | 24.9 | Very low | 24.4 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | cis | -162.8 | 152.3 | 5.9 | -155.9 | 70.6 | 0 | 0 | 0 | 110.6 | ||||
| 1097 | N | 22.8 | Very low | 24.4 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | 28.9 | 157.6 | 149.7 | -59.4 | 0.2 | 0 | 0 | 0 | 124.1 | ||||
| 1098 | G | 24.6 | Very low | 24 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | 146.5 | 153.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1099 | S | 21 | Very low | 24 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | 67.8 | 148.3 | 166.1 | 75.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1100 | A | 24.6 | Very low | 24 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | cis | -157.4 | 152 | 12.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1101 | N | 22.5 | Very low | 23.9 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 62.8 | 153.1 | 148.7 | -64.3 | 6.2 | 0 | 0 | 0 | 124.4 | ||||
| 1102 | I | 24 | Very low | 23.8 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 98 | 103.3 | 161.9 | -51.3 | -172.2 | 0 | 0 | 0 | 117.4 | ||||
| 1103 | D | 21.3 | Very low | 23.7 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 63 | 139.6 | 146 | -54.2 | -8.7 | 0 | 0 | 0 | 125.1 | ||||
| 1104 | S | 22.5 | Very low | 23.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 76.8 | 137.1 | 155.2 | 53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1105 | E | 21.9 | Very low | 23.7 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 55.6 | 98.6 | 154.7 | -66 | 179.6 | 177.5 | 0 | 0 | 121.2 | ||||
| 1106 | S | 27.9 | Very low | 23.6 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -166.5 | 119.9 | 132.1 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1107 | D | 23 | Very low | 23.6 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 119.6 | 166 | -79 | -52.3 | 0 | 0 | 0 | 110.7 | ||||
| 1108 | Y | 25.6 | Very low | 23.6 | Very low | 227 Ų | 227 | 132.5 Ų | 132.5 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -162.2 | 95.5 | 156.5 | -107.3 | -68.6 | 0 | 0 | 0 | 109.4 | ||||
| 1109 | G | 22.8 | Very low | 23.7 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | -120.3 | 153.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1110 | D | 24.2 | Very low | 23.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 54.7 | 62.8 | 156.2 | -59.8 | -11.1 | 0 | 0 | 0 | 120 | A1112 | D1110-A1112 PolarHBondContact O-N 3.12Š| ||
| 1111 | Y | 23.4 | Very low | 23.9 | Very low | 234 Ų | 234 | 134.6 Ų | 134.6 | 92% | 0.918 | 79% | 0.789 | S | S | * | * | trans | -90.1 | 77.8 | 148.3 | -93.2 | -78.4 | 0 | 0 | 0 | 110.7 | ||||
| 1112 | A | 22.2 | Very low | 23.9 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -140.1 | 2.6 | -171 | 0 | 0 | 0 | 0 | 0 | 118.3 | D1110 | D1110-A1112 PolarHBondContact O-N 3.12Š| ||
| 1113 | S | 23.1 | Very low | 23.9 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -161.5 | 95.9 | 173.8 | 57.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1114 | S | 25.5 | Very low | 24.1 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -161.9 | 48.8 | 152.2 | 54 | 0 | 0 | 0 | 0 | 113 | G1116 | S1114-G1116 PolarHBondContact O-N 3.2Š| ||
| 1115 | I | 24.1 | Very low | 24.1 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 92.8 | 166.4 | -63.4 | 176.4 | 0 | 0 | 0 | 107.9 | ||||
| 1116 | G | 24.5 | Very low | 24.2 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -128.2 | 122.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1114 | S1114-G1116 PolarHBondContact O-N 3.2Š| ||
| 1117 | C | 24.7 | Very low | 24 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -75.2 | 139.1 | -174.8 | -61.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1118 | C | 23.1 | Very low | 24.1 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -125.7 | 112.7 | 159.1 | -70.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1119 | E | 25.7 | Very low | 24.1 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | -77 | 136.3 | 179.7 | -62.2 | -168.7 | 82.2 | 0 | 0 | 110.7 | R1063 | R1063-E1119 WeakPolarHBondContact CD-OE2 3.36Å; R1063-E1119 IonicContact CZ-OE1 2.69Å; R1063-E1119 IonicContact CZ-OE2 2.69Å; R1063-E1119 IonicContact NE-OE2 2.75Å; R1063-E1119 IonicContact NH1-OE1 2.79Å; R1063-E1119 PolarHBondContact NH1-OE1 2.96Å; R1063-E1119 IonicContact NH1-OE2 3.67Å; R1063-E1119 PolarHBondContact NH1-OE2 2.9Å | ||
| 1120 | S | 22.9 | Very low | 24.1 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | -82.9 | 109.1 | 163.8 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | H2000 | S1120-H2000 PolarHBondContact OG-ND1 3.2Š| ||
| 1121 | A | 27.9 | Very low | 24.2 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -132 | 104.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1122 | D | 22.4 | Very low | 24.1 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -81.7 | 142.4 | 164.1 | -73.8 | -60.1 | 0 | 0 | 0 | 109.6 | ||||
| 1123 | D | 23.8 | Very low | 24.3 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 56.6 | 96.8 | 177.3 | -75.8 | -19.8 | 0 | 0 | 0 | 120.3 | N2608 | D1123-N2608 PolarHBondContact OD2-ND2 2.98Š|
| 1124 | E | 24.1 | Very low | 24.7 | Very low | 50 Ų | 50 | 124.9 Ų | 124.9 | 23% | 0.234 | 73% | 0.727 | C | S | . | * | trans | 83.2 | 77.4 | 135.1 | -56 | -176 | -167 | 0 | 0 | 120.6 | R2584 I2590 | E1124-R2584 VanDerWaalsContact CB-CZ 3.5Å; E1124-R2584 VanDerWaalsContact O-CZ 3.27Å; E1124-R2584 PolarHBondContact O-NH1 3.08Å; E1124-R2584 PolarHBondContact O-NH2 2.95Å; E1124-R2584 VanDerWaalsContact O-NH2 3.16Å; E1124-R2584 IonicContact OE2-CZ 2.72Å; E1124-R2584 IonicContact OE2-NE 2.67Å; E1124-R2584 PolarHBondContact OE2-NE 3.25Å; E1124-R2584 IonicContact OE2-NH2 3.31Å; E1124-R2584 PolarHBondContact OE2-NH2 2.99Å; E1124-I2590 HydrophobicContact CG-CD1 4.11Å; E1124-I2590 WeakPolarHBondContact OE1-CD1 3.4Å; E1124-I2590 VanDerWaalsContact OE1-CG1 3.3Å; E1124-I2590 WeakPolarHBondContact OE1-CG1 3.47Å | ||
| 1125 | G | 23.6 | Very low | 25 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | 107.7 | 130.3 | 79.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1126 | E | 23.5 | Very low | 26 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -151.7 | 175.6 | 168 | -144.3 | 179.2 | -137.7 | 0 | 0 | 112.3 | K1128 | E1126-K1128 PolarHBondContact O-N 3.48Š| ||
| 1127 | M | 23.7 | Very low | 27.1 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -72.6 | 106.8 | -177.7 | -73.8 | -162 | -179.8 | 0 | 0 | 112.8 | ||||
| 1128 | K | 26.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.726 | 69% | 0.69 | S | S | * | * | trans | -97.9 | 89.7 | 153.7 | -75.1 | -172.1 | 175.8 | -178.4 | 0 | 110.6 | E1126 N1130 | E1126-K1128 PolarHBondContact O-N 3.48Å; K1128-N1130 PolarHBondContact O-N 3.49Å | ||
| 1129 | S | 24 | Very low | 30.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 129.2 | 152.5 | 36.8 | 0 | 0 | 0 | 0 | 108.5 | I1131 | S1129-I1131 PolarHBondContact O-N 3.08Š|
| 1130 | N | 23.5 | Very low | 33.2 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.1 | 63.1 | 170.2 | -60.4 | -6.3 | 0 | 0 | 0 | 117 | K1128 | K1128-N1130 PolarHBondContact O-N 3.49Š|
| 1131 | I | 25.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | trans | -171.4 | 82.3 | 131.9 | -87.3 | 143.7 | 0 | 0 | 0 | 107.1 | S1129 | S1129-I1131 PolarHBondContact O-N 3.08Š| ||
| 1132 | Q | 22.1 | Very low | 38.1 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -156.6 | 76.9 | 163 | -135.4 | -177.9 | 24.1 | 0 | 0 | 111.7 | R2581 | Q1132-R2581 PolarHBondContact O-NH2 2.83Š| ||
| 1133 | N | 27 | Very low | 40.7 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | trans | -140.1 | 88.4 | 162.7 | -96.9 | -6.1 | 0 | 0 | 0 | 108.1 | V1135 R2581 | N1133-V1135 HydrophobicContact CB-CB 4.27Å; N1133-V1135 HydrophobicContact CB-CG2 3.76Å; N1133-V1135 PolarHBondContact O-N 3.14Å; N1133-R2581 PolarHBondContact OD1-NH2 3.38Å; N1133-R2581 VanDerWaalsContact OD1-NH2 3.12Å | ||
| 1134 | T | 31.7 | Very low | 43.5 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 91% | 0.908 | 56% | 0.561 | S | S | * | * | trans | -73.9 | 44.3 | 155.7 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | K1136 | T1134-K1136 VanDerWaalsContact C-N 3.31Å; T1134-K1136 PolarHBondContact O-N 3.3Å | ||
| 1135 | V | 31.9 | Very low | 46.3 | Very low | 98 Ų | 98 | 110.9 Ų | 110.9 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | trans | -72.3 | 91.5 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 106.4 | N1133 R1137 | N1133-V1135 HydrophobicContact CB-CB 4.27Å; N1133-V1135 HydrophobicContact CB-CG2 3.76Å; N1133-V1135 PolarHBondContact O-N 3.14Å; V1135-R1137 VanDerWaalsContact C-N 3.32Å; V1135-R1137 PolarHBondContact O-N 3.19Å | ||
| 1136 | K | 44.7 | Very low | 49.2 | Very low | 162 Ų | 162 | 107.4 Ų | 107.4 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | trans | 18 | 68.6 | 167.3 | -61.2 | -177.4 | -178.9 | -178.1 | 0 | 113.1 | T1134 R1138 | T1134-K1136 VanDerWaalsContact C-N 3.31Å; T1134-K1136 PolarHBondContact O-N 3.3Å; K1136-R1138 PolarHBondContact O-N 2.85Å | ||
| 1137 | R | 46.4 | Very low | 51.9 | Low | 145 Ų | 145 | 102.5 Ų | 102.5 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | trans | -65.4 | 92.5 | 174 | -109.6 | -170.7 | -174.1 | 174.4 | 8.1 | 106.6 | V1135 Q1139 D2068 | V1135-R1137 VanDerWaalsContact C-N 3.32Å; V1135-R1137 PolarHBondContact O-N 3.19Å; R1137-Q1139 PolarHBondContact O-N 3.08Å; R1137-D2068 IonicContact CZ-OD1 2.77Å; R1137-D2068 IonicContact CZ-OD2 2.72Å; R1137-D2068 IonicContact NE-OD2 2.85Å; R1137-D2068 IonicContact NH2-OD1 3.96Å; R1137-D2068 PolarHBondContact NH2-OD1 2.65Å; R1137-D2068 IonicContact NH2-OD2 3.17Å; R1137-D2068 PolarHBondContact NH2-OD2 2.83Å | ||
| 1138 | R | 59.1 | Low | 54.7 | Low | 147 Ų | 147 | 95.5 Ų | 95.5 | 56% | 0.555 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 106.8 | 177.1 | -77.7 | 177.6 | 165.5 | 174.4 | -5.8 | 106.7 | K1136 A2122 | K1136-R1138 PolarHBondContact O-N 2.85Å; R1138-A2122 HydrophobicContact CB-CB 4.16Å |
| 1139 | Q | 70 | Confident | 57.4 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140.6 | 170.4 | -62.6 | -170.9 | 34.7 | 0 | 0 | 107.9 | R1137 Y1141 Y2012 I2123 D2125 | R1137-Q1139 PolarHBondContact O-N 3.08Å; Q1139-Y1141 HydrophobicContact CB-CD2 4.36Å; Q1139-Y1141 HydrophobicContact CB-CE1 4.25Å; Q1139-Y1141 HydrophobicContact CB-CE2 3.57Å; Q1139-Y1141 WeakPolarHBondContact CB-OH 3.36Å; Q1139-Y1141 WeakPolarHBondContact O-CD2 3.4Å; Q1139-Y1141 PolarHBondContact OE1-OH 3.38Å; Q1139-Y2012 PolarHBondContact NE2-OH 2.89Å; Q1139-Y2012 VanDerWaalsContact NE2-OH 3.11Å; Q1139-Y2012 PolarHBondContact OE1-OH 3.18Å; Q1139-I2123 PolarHBondContact N-O 3.45Å; Q1139-I2123 PolarHBondContact O-N 3.27Å; Q1139-I2123 VanDerWaalsContact O-N 3.11Å; Q1139-D2125 VanDerWaalsContact CD-OD1 3.31Å; Q1139-D2125 PolarHBondContact NE2-OD1 3.15Å; Q1139-D2125 PolarHBondContact NE2-OD2 3.43Å |
| 1140 | Y | 73.4 | Confident | 60 | Low | 155 Ų | 155 | 83.4 Ų | 83.4 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.6 | 176.1 | -69.4 | -91.7 | 0 | 0 | 0 | 108.9 | Q2120 A2122 | Y1140-Q2120 HydrophobicContact CD1-CB 4.35Å; Y1140-A2122 HydrophobicContact CD1-CB 4.06Å; Y1140-A2122 HydrophobicContact CE1-CB 3.84Å |
| 1141 | Y | 77.1 | Confident | 62.4 | Low | 18 Ų | 18 | 79 Ų | 79 | 7% | 0.071 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.8 | 178.6 | -57.9 | -77.1 | 0 | 0 | 0 | 109.4 | Q1139 Y2012 Q2021 Q2120 Q2121 I2123 D2125 I2128 | Q1139-Y1141 HydrophobicContact CB-CD2 4.36Å; Q1139-Y1141 HydrophobicContact CB-CE1 4.25Å; Q1139-Y1141 HydrophobicContact CB-CE2 3.57Å; Q1139-Y1141 WeakPolarHBondContact CB-OH 3.36Å; Q1139-Y1141 WeakPolarHBondContact O-CD2 3.4Å; Q1139-Y1141 PolarHBondContact OE1-OH 3.38Å; Y1141-Y2012 WeakPolarHBondContact OH-CE2 3.34Å; Y1141-Y2012 PolarHBondContact OH-OH 3.21Å; Y1141-Q2021 HydrophobicContact CD1-CB 3.9Å; Y1141-Q2021 HydrophobicContact CD1-CG 3.49Å; Y1141-Q2021 VanDerWaalsContact CD1-CG 3.49Å; Y1141-Q2021 HydrophobicContact CD2-CB 4.23Å; Y1141-Q2021 HydrophobicContact CE1-CB 4.06Å; Y1141-Q2021 HydrophobicContact CE1-CG 3.77Å; Y1141-Q2021 HydrophobicContact CE2-CB 4.38Å; Y1141-Q2021 HydrophobicContact CG-CB 3.97Å; Y1141-Q2021 HydrophobicContact CG-CG 4Å; Y1141-Q2120 WeakPolarHBondContact O-CA 3.44Å; Y1141-Q2121 PolarHBondContact N-O 3.14Å; Y1141-Q2121 PolarHBondContact O-N 3.34Å; Y1141-I2123 HydrophobicContact CD2-CB 3.89Å; Y1141-I2123 HydrophobicContact CD2-CG1 4.46Å; Y1141-I2123 HydrophobicContact CE2-CB 4.03Å; Y1141-D2125 PolarHBondContact OH-OD1 3.14Å; Y1141-I2128 HydrophobicContact CE2-CD1 3.93Å |
| 1142 | Y | 76.3 | Confident | 64.8 | Low | 47 Ų | 47 | 71.8 Ų | 71.8 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.4 | 176.8 | -56.6 | -81.9 | 0 | 0 | 0 | 109.9 | N2022 L2106 H2110 Q2120 | Y1142-N2022 WeakPolarHBondContact O-CA 3.38Å; Y1142-N2022 VanDerWaalsContact O-CB 3.3Å; Y1142-N2022 WeakPolarHBondContact O-CB 3.29Å; Y1142-N2022 PolarHBondContact O-OD1 3.41Å; Y1142-L2106 HydrophobicContact CD1-CD2 4.27Å; Y1142-L2106 HydrophobicContact CD2-CD1 4.46Å; Y1142-L2106 HydrophobicContact CG-CD1 4.3Å; Y1142-L2106 HydrophobicContact CG-CD2 4.44Å; Y1142-H2110 PolarHBondContact OH-CD2 3.41Å; Y1142-H2110 VanDerWaalsContact OH-CD2 3.23Å; Y1142-H2110 PolarHBondContact OH-CE1 3.12Å; Y1142-H2110 VanDerWaalsContact OH-CG 3.24Å; Y1142-H2110 PolarHBondContact OH-ND1 3.48Å; Y1142-H2110 PolarHBondContact OH-NE2 2.82Å; Y1142-Q2120 HydrophobicContact CD1-CG 4.03Å; Y1142-Q2120 HydrophobicContact CE1-CG 4.05Å |
| 1143 | R | 76.4 | Confident | 67.2 | Low | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 135.8 | 169.2 | -77 | 177.6 | 167.8 | 172.8 | -11.2 | 110.5 | N2034 I2119 Q2121 | R1143-N2034 PolarHBondContact NH1-O 2.88Å; R1143-I2119 PolarHBondContact N-O 3.38Å; R1143-I2119 VanDerWaalsContact N-O 3.1Å; R1143-Q2121 HydrophobicContact CG-CG 4.11Å; R1143-Q2121 VanDerWaalsContact NE-OE1 3.15Å |
| 1144 | K | 82.5 | Confident | 69.3 | Low | 43 Ų | 43 | 61.4 Ų | 61.4 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 133.6 | 173.9 | -162.7 | -173.1 | -159.9 | 80.1 | 0 | 110 | L1567 D2019 N2022 R2023 N2101 | K1144-L1567 HydrophobicContact CB-CD2 4.28Å; K1144-L1567 HydrophobicContact CD-CD2 4.34Å; K1144-L1567 HydrophobicContact CG-CD2 4.42Å; K1144-L1567 WeakPolarHBondContact O-CD1 3.49Å; K1144-D2019 IonicContact NZ-OD2 2.74Å; K1144-D2019 PolarHBondContact NZ-OD2 2.88Å; K1144-N2022 HydrophobicContact CB-CB 4.14Å; K1144-N2022 VanDerWaalsContact CB-O 3.32Å; K1144-N2022 WeakPolarHBondContact CB-O 3.15Å; K1144-N2022 PolarHBondContact N-O 2.7Å; K1144-R2023 HydrophobicContact CD-CG 4.25Å; K1144-N2101 WeakPolarHBondContact CG-OD1 3.23Å |
| 1145 | F | 83 | Confident | 71.2 | Confident | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 139.6 | 175.7 | -63.8 | -76.5 | 0 | 0 | 0 | 110.8 | Y1283 L1284 N2101 | F1145-Y1283 AromaticContact CD2-CD1 3.79Å; F1145-Y1283 HydrophobicContact CD2-CD1 3.79Å; F1145-Y1283 HydrophobicContact CD2-CG 4.11Å; F1145-Y1283 AromaticContact CE2-CD1 3.37Å; F1145-Y1283 HydrophobicContact CE2-CD1 3.37Å; F1145-Y1283 HydrophobicContact CE2-CD2 4.44Å; F1145-Y1283 HydrophobicContact CE2-CE1 4.04Å; F1145-Y1283 AromaticContact CE2-CG 3.6Å; F1145-Y1283 HydrophobicContact CE2-CG 3.6Å; F1145-Y1283 HydrophobicContact CZ-CD1 4.06Å; F1145-Y1283 HydrophobicContact CZ-CD2 4.34Å; F1145-Y1283 AromaticContact CZ-CG 3.82Å; F1145-Y1283 HydrophobicContact CZ-CG 3.82Å; F1145-L1284 HydrophobicContact CB-CD2 4.25Å; F1145-L1284 HydrophobicContact CD1-CD2 3.92Å; F1145-L1284 HydrophobicContact CD1-CG 4.06Å; F1145-L1284 HydrophobicContact CG-CD2 4.46Å; F1145-N2101 PolarHBondContact N-OD1 3.49Å; F1145-N2101 PolarHBondContact O-ND2 3.2Å; F1145-N2101 PolarHBondContact O-OD1 2.99Å |
| 1146 | P | 84.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.9 | -173 | -7.2 | 18.9 | 0 | 0 | 0 | 112.7 | Q1148 I1149 S1150 E1563 L1566 L1567 | P1146-Q1148 VanDerWaalsContact C-N 3.28Å; P1146-Q1148 PolarHBondContact O-N 3.02Å; P1146-I1149 HydrophobicContact CB-CD1 4.48Å; P1146-I1149 HydrophobicContact CB-CG1 3.98Å; P1146-I1149 HydrophobicContact CG-CD1 3.85Å; P1146-I1149 HydrophobicContact CG-CG1 3.84Å; P1146-I1149 PolarHBondContact O-N 3.17Å; P1146-S1150 PolarHBondContact O-N 3.31Å; P1146-S1150 PolarHBondContact O-OG 3.29Å; P1146-E1563 HydrophobicContact CG-CG 3.88Å; P1146-E1563 WeakPolarHBondContact CG-O 3.43Å; P1146-L1566 HydrophobicContact CB-CB 3.77Å; P1146-L1566 HydrophobicContact CB-CD1 4.35Å; P1146-L1566 HydrophobicContact CG-CB 4.06Å; P1146-L1566 HydrophobicContact CG-CD1 4.49Å; P1146-L1567 HydrophobicContact CB-CD2 4.29Å; P1146-L1567 HydrophobicContact CG-CD2 4.2Å; P1146-L1567 HydrophobicContact CG-CG 4.08Å |
| 1147 | T | 82.1 | Confident | 74.1 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 114 | S1150 K1202 E1570 | T1147-S1150 WeakPolarHBondContact CA-OG 3.33Å; T1147-K1202 WeakPolarHBondContact O-CD 3.35Å; T1147-K1202 PolarHBondContact O-NZ 2.77Å; T1147-E1570 WeakPolarHBondContact CB-OE1 3.3Å; T1147-E1570 WeakPolarHBondContact CG2-OE1 3.48Å; T1147-E1570 PolarHBondContact N-OE1 2.92Å; T1147-E1570 PolarHBondContact OG1-OE1 2.6Å |
| 1148 | Q | 81.5 | Confident | 75 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.9 | 175.4 | -55.5 | 88.3 | -9.9 | 0 | 0 | 114.2 | P1146 C1152 L1204 H1205 | P1146-Q1148 VanDerWaalsContact C-N 3.28Å; P1146-Q1148 PolarHBondContact O-N 3.02Å; Q1148-C1152 PolarHBondContact O-SG 2.78Å; Q1148-L1204 HydrophobicContact CB-CD2 4.41Å; Q1148-H1205 PolarHBondContact NE2-CD2 2.86Å; Q1148-H1205 PolarHBondContact NE2-NE2 3.34Å |
| 1149 | I | 82.7 | Confident | 74.8 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -10 | -177.4 | 58.4 | 169.4 | 0 | 0 | 0 | 114.9 | P1146 L1204 L1284 Q1285 V1286 L1566 | P1146-I1149 HydrophobicContact CB-CD1 4.48Å; P1146-I1149 HydrophobicContact CB-CG1 3.98Å; P1146-I1149 HydrophobicContact CG-CD1 3.85Å; P1146-I1149 HydrophobicContact CG-CG1 3.84Å; P1146-I1149 PolarHBondContact O-N 3.17Å; I1149-L1204 HydrophobicContact CG2-CD2 3.77Å; I1149-L1284 HydrophobicContact CD1-CD2 3.7Å; I1149-L1284 HydrophobicContact CG1-CD2 3.81Å; I1149-Q1285 PolarHBondContact O-N 3.41Å; I1149-V1286 HydrophobicContact CB-CG2 3.71Å; I1149-V1286 HydrophobicContact CG2-CG2 3.95Å; I1149-V1286 WeakPolarHBondContact O-CG2 3.47Å; I1149-L1566 HydrophobicContact CD1-CD1 4.1Å; I1149-L1566 HydrophobicContact CG1-CD1 4.24Å; I1149-L1566 HydrophobicContact CG2-CD1 3.96Å |
| 1150 | S | 78.6 | Confident | 74.4 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -77.9 | 150.1 | 160.5 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | P1146 T1147 C1152 K1202 | P1146-S1150 PolarHBondContact O-N 3.31Å; P1146-S1150 PolarHBondContact O-OG 3.29Å; T1147-S1150 WeakPolarHBondContact CA-OG 3.33Å; S1150-C1152 PolarHBondContact O-N 3.4Å; S1150-C1152 PolarHBondContact O-SG 3.35Å; S1150-K1202 PolarHBondContact O-NZ 3.27Å |
| 1151 | N | 74.9 | Confident | 74.3 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 50.9 | 50.7 | 178.9 | -65.4 | -0.4 | 0 | 0 | 0 | 114.2 | Q1285 W2098 | N1151-Q1285 PolarHBondContact OD1-NE2 2.85Å; N1151-W2098 PolarHBondContact ND2-O 2.86Å |
| 1152 | C | 74.5 | Confident | 74.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -112.4 | 26.5 | -177.6 | -77.1 | 0 | 0 | 0 | 0 | 114.1 | Q1148 S1150 P1154 T1201 K1202 Q1285 V1286 | Q1148-C1152 PolarHBondContact O-SG 2.78Å; S1150-C1152 PolarHBondContact O-N 3.4Å; S1150-C1152 PolarHBondContact O-SG 3.35Å; C1152-P1154 WeakPolarHBondContact O-CD 3.27Å; C1152-T1201 WeakPolarHBondContact CA-OG1 3.2Å; C1152-K1202 VanDerWaalsContact SG-CD 3.57Å; C1152-Q1285 CarbonylContact C-O 3.36Å; C1152-Q1285 VanDerWaalsContact CB-O 3.23Å; C1152-Q1285 WeakPolarHBondContact CB-O 3.17Å; C1152-V1286 HydrophobicContact CB-CG2 4.3Å | ||
| 1153 | L | 72.8 | Confident | 74.9 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 118.7 | 174.8 | -91.1 | 159.5 | 0 | 0 | 0 | 112.7 | T1201 F1279 | L1153-T1201 WeakPolarHBondContact O-CG2 3.35Å; L1153-F1279 HydrophobicContact CD2-CD1 3.66Å; L1153-F1279 HydrophobicContact CD2-CE1 3.95Å; L1153-F1279 HydrophobicContact CG-CD1 4.4Å; L1153-F1279 HydrophobicContact CG-CE1 4.41Å |
| 1154 | P | 71.8 | Confident | 75.4 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 127.6 | 173.7 | 29.5 | -33.5 | 0 | 0 | 0 | 110.6 | C1152 N1162 T1201 I1252 L1287 | C1152-P1154 WeakPolarHBondContact O-CD 3.27Å; P1154-N1162 WeakPolarHBondContact CB-OD1 3.42Å; P1154-T1201 HydrophobicContact CB-CG2 4.45Å; P1154-I1252 HydrophobicContact CG-CG2 4.37Å; P1154-L1287 HydrophobicContact CG-CD1 4.31Å |
| 1155 | Q | 70.1 | Confident | 75.8 | Confident | 98 Ų | 98 | 37.2 Ų | 37.2 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -83.9 | 135.8 | 178.6 | -64.1 | -61.9 | -25.8 | 0 | 0 | 111.3 | E1158 | Q1155-E1158 HydrophobicContact CB-CB 4.39Å; Q1155-E1158 HydrophobicContact CB-CG 3.81Å; Q1155-E1158 WeakPolarHBondContact CB-OE2 3.24Å |
| 1156 | P | 69.1 | Low | 76.1 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 136.6 | -178.2 | 29.7 | -35.4 | 0 | 0 | 0 | 112 | E1158 Q1249 I1252 | P1156-E1158 PolarHBondContact O-N 3.38Å; P1156-E1158 VanDerWaalsContact O-N 3.13Å; P1156-Q1249 HydrophobicContact CB-CB 4.14Å; P1156-I1252 HydrophobicContact CB-CD1 4.19Å |
| 1157 | N | 69.2 | Low | 76.5 | Confident | 103 Ų | 103 | 37.1 Ų | 37.1 | 55% | 0.551 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 9.6 | 175.6 | -46.1 | -49.1 | 0 | 0 | 0 | 116.4 | L1247 | N1157-L1247 PolarHBondContact N-O 3.46Å; N1157-L1247 VanDerWaalsContact N-O 3.14Å |
| 1158 | E | 65.6 | Low | 76.9 | Confident | 99 Ų | 99 | 33.9 Ų | 33.9 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | trans | -71.9 | 145.3 | 170.4 | -75.3 | -161.6 | 148.2 | 0 | 0 | 111.9 | Q1155 P1156 S1160 | Q1155-E1158 HydrophobicContact CB-CB 4.39Å; Q1155-E1158 HydrophobicContact CB-CG 3.81Å; Q1155-E1158 WeakPolarHBondContact CB-OE2 3.24Å; P1156-E1158 PolarHBondContact O-N 3.38Å; P1156-E1158 VanDerWaalsContact O-N 3.13Å; E1158-S1160 PolarHBondContact O-N 2.87Å | ||
| 1159 | P | 55 | Low | 77.3 | Confident | 105 Ų | 105 | 33.7 Ų | 33.7 | 68% | 0.682 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -75.3 | 96.8 | 179.6 | 30.4 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 1160 | S | 60.8 | Low | 77.6 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 50.4 | 72.1 | 164.8 | 61.7 | 0 | 0 | 0 | 0 | 115 | E1158 P1229 S1244 | E1158-S1160 PolarHBondContact O-N 2.87Å; S1160-P1229 WeakPolarHBondContact O-CB 3.41Å; S1160-S1244 VanDerWaalsContact CB-O 3.32Å; S1160-S1244 WeakPolarHBondContact CB-O 3.42Å; S1160-S1244 WeakPolarHBondContact CB-OG 3.37Å |
| 1161 | S | 72.7 | Confident | 77.9 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | trans | -106.6 | -11.2 | 166.9 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1162 | N | 78.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | trans | -83.5 | 144.9 | -174.6 | -58.7 | -57.1 | 0 | 0 | 0 | 113 | P1154 L1199 T1200 S1244 | P1154-N1162 WeakPolarHBondContact CB-OD1 3.42Å; N1162-L1199 HydrophobicContact CB-CD1 4.06Å; N1162-T1200 CarbonylContact C-O 3.58Å; N1162-T1200 WeakPolarHBondContact CA-O 3.23Å; N1162-S1244 WeakPolarHBondContact O-CB 2.98Å; N1162-S1244 PolarHBondContact O-OG 3.25Å | ||
| 1163 | Y | 86.1 | Confident | 78.5 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.9 | 167.2 | -60 | -104.5 | 0 | 0 | 0 | 109.4 | Y1165 T1200 P1203 W1227 P1229 | Y1163-Y1165 HydrophobicContact CG-CE2 4.37Å; Y1163-T1200 PolarHBondContact N-O 3.07Å; Y1163-T1200 PolarHBondContact O-N 2.99Å; Y1163-T1200 PolarHBondContact O-OG1 3.17Å; Y1163-P1203 HydrophobicContact CD1-CB 4.31Å; Y1163-P1203 HydrophobicContact CE1-CB 3.76Å; Y1163-P1203 HydrophobicContact CE2-CB 4.18Å; Y1163-P1203 HydrophobicContact CE2-CG 4.4Å; Y1163-W1227 WeakPolarHBondContact CA-O 3.42Å; Y1163-P1229 HydrophobicContact CD1-CG 4.49Å; Y1163-P1229 HydrophobicContact CD2-CG 4.36Å; Y1163-P1229 HydrophobicContact CE1-CG 3.85Å; Y1163-P1229 HydrophobicContact CE2-CG 3.68Å; Y1163-P1229 VanDerWaalsContact CZ-CD 3.41Å; Y1163-P1229 WeakPolarHBondContact OH-CG 3.36Å |
| 1164 | L | 88.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118.6 | 174.8 | 178.2 | 64.5 | 0 | 0 | 0 | 109.5 | L1198 L1199 L1226 W1227 V1289 I1298 | L1164-L1198 WeakPolarHBondContact CA-O 3.42Å; L1164-L1199 HydrophobicContact CD1-CB 4.4Å; L1164-L1226 HydrophobicContact CD2-CB 4.27Å; L1164-L1226 HydrophobicContact CD2-CD1 4.16Å; L1164-L1226 HydrophobicContact CG-CB 4.33Å; L1164-L1226 HydrophobicContact CG-CD1 4.49Å; L1164-L1226 PolarHBondContact O-N 3.3Å; L1164-W1227 HydrophobicContact CB-CB 3.77Å; L1164-W1227 HydrophobicContact CB-CD2 3.63Å; L1164-W1227 HydrophobicContact CB-CE3 3.68Å; L1164-W1227 HydrophobicContact CB-CG 3.68Å; L1164-W1227 HydrophobicContact CD2-CD2 3.66Å; L1164-W1227 HydrophobicContact CD2-CE3 4.03Å; L1164-W1227 HydrophobicContact CD2-CG 4.11Å; L1164-W1227 HydrophobicContact CD2-CH2 4.3Å; L1164-W1227 HydrophobicContact CD2-CZ2 3.93Å; L1164-W1227 HydrophobicContact CD2-CZ3 4.34Å; L1164-W1227 HydrophobicContact CG-CD2 4.3Å; L1164-W1227 HydrophobicContact CG-CE3 4.46Å; L1164-W1227 PolarHBondContact N-O 2.9Å; L1164-W1227 PolarHBondContact O-N 3.29Å; L1164-V1289 HydrophobicContact CD1-CG2 3.66Å; L1164-I1298 HydrophobicContact CD2-CG1 3.99Å |
| 1165 | Y | 89.3 | Confident | 78.6 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.4 | 178.4 | -65.4 | -80.6 | 0 | 0 | 0 | 110.8 | Y1163 G1197 L1198 L1204 I1224 E1225 | Y1163-Y1165 HydrophobicContact CG-CE2 4.37Å; Y1165-G1197 CarbonylContact O-C 3.56Å; Y1165-G1197 WeakPolarHBondContact O-CA 3.46Å; Y1165-L1198 PolarHBondContact N-O 3.38Å; Y1165-L1198 PolarHBondContact O-N 3.5Å; Y1165-L1204 HydrophobicContact CD1-CD1 4.48Å; Y1165-L1204 HydrophobicContact CD2-CD1 3.49Å; Y1165-L1204 VanDerWaalsContact CD2-CD1 3.49Å; Y1165-L1204 HydrophobicContact CD2-CG 3.89Å; Y1165-L1204 HydrophobicContact CE2-CB 4.01Å; Y1165-L1204 HydrophobicContact CE2-CD1 3.81Å; Y1165-L1204 HydrophobicContact CE2-CG 3.65Å; Y1165-L1204 HydrophobicContact CG-CD1 3.87Å; Y1165-L1204 PolarHBondContact OH-N 2.91Å; Y1165-I1224 CarbonylContact C-O 3.49Å; Y1165-I1224 WeakPolarHBondContact CA-O 3.43Å; Y1165-E1225 HydrophobicContact CD1-CB 3.95Å; Y1165-E1225 HydrophobicContact CD1-CG 4.24Å; Y1165-E1225 HydrophobicContact CE1-CB 3.67Å; Y1165-E1225 HydrophobicContact CE1-CG 3.71Å; Y1165-E1225 WeakPolarHBondContact CE1-OE2 3.49Å; Y1165-E1225 VanDerWaalsContact CZ-OE2 3.24Å; Y1165-E1225 PolarHBondContact OH-OE2 3.5Å |
| 1166 | Y | 90.8 | Very high | 78.4 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136 | 173.5 | 180 | -98.4 | 0 | 0 | 0 | 111 | D1168 F1223 I1224 L1226 A1291 R1293 | Y1166-D1168 HydrophobicContact CD1-CB 3.94Å; Y1166-D1168 HydrophobicContact CE1-CB 3.93Å; Y1166-D1168 PolarHBondContact O-N 2.98Å; Y1166-F1223 WeakPolarHBondContact O-CA 3.23Å; Y1166-I1224 PolarHBondContact N-O 2.7Å; Y1166-I1224 PolarHBondContact O-N 2.85Å; Y1166-L1226 HydrophobicContact CD2-CD1 4.5Å; Y1166-L1226 HydrophobicContact CG-CD1 4.46Å; Y1166-A1291 HydrophobicContact CD2-CB 4.1Å; Y1166-A1291 WeakPolarHBondContact CE2-O 3.44Å; Y1166-R1293 HydrophobicContact CE1-CB 4.22Å; Y1166-R1293 HydrophobicContact CE1-CG 4.31Å; Y1166-R1293 HydrophobicContact CE2-CB 4.36Å |
| 1167 | I | 92.5 | Very high | 77.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 95.8 | 175.3 | -56 | 175.1 | 0 | 0 | 0 | 107.6 | M1169 F1196 L1198 I1221 F1223 I1555 I1558 | I1167-M1169 HydrophobicContact CG2-CG 4.27Å; I1167-F1196 WeakPolarHBondContact CB-O 3.25Å; I1167-F1196 HydrophobicContact CD1-CB 4.36Å; I1167-F1196 PolarHBondContact N-O 2.87Å; I1167-L1198 HydrophobicContact CD1-CD2 4.25Å; I1167-L1198 HydrophobicContact CD1-CG 4.33Å; I1167-I1221 HydrophobicContact CG2-CG2 4.02Å; I1167-F1223 HydrophobicContact CD1-CE1 4.43Å; I1167-F1223 HydrophobicContact CG1-CD1 4.3Å; I1167-F1223 HydrophobicContact CG1-CE1 3.8Å; I1167-I1555 HydrophobicContact CD1-CD1 3.73Å; I1167-I1558 HydrophobicContact CD1-CG2 4.46Å; I1167-I1558 HydrophobicContact CG2-CD1 4.04Å; I1167-I1558 HydrophobicContact CG2-CG2 4.11Å |
| 1168 | D | 90.1 | Very high | 77.2 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.8 | 176.2 | -161.5 | 15.2 | 0 | 0 | 0 | 110.8 | Y1166 H1170 I1221 R1222 I1224 R1293 | Y1166-D1168 HydrophobicContact CD1-CB 3.94Å; Y1166-D1168 HydrophobicContact CE1-CB 3.93Å; Y1166-D1168 PolarHBondContact O-N 2.98Å; D1168-H1170 IonicContact OD1-NE2 2.91Å; D1168-H1170 IonicContact OD2-CD2 3.63Å; D1168-H1170 IonicContact OD2-NE2 3.73Å; D1168-H1170 PolarHBondContact OD2-NE2 3.49Å; D1168-I1221 VanDerWaalsContact O-CA 3.31Å; D1168-I1221 WeakPolarHBondContact O-CA 3.33Å; D1168-R1222 WeakPolarHBondContact CA-O 3.16Å; D1168-R1222 HydrophobicContact CB-CB 4.34Å; D1168-R1222 VanDerWaalsContact CB-O 3.3Å; D1168-R1222 WeakPolarHBondContact CB-O 3.37Å; D1168-R1222 PolarHBondContact N-O 2.79Å; D1168-R1222 PolarHBondContact O-N 2.95Å; D1168-I1224 HydrophobicContact CB-CD1 3.85Å; D1168-I1224 HydrophobicContact CB-CG1 4.24Å; D1168-I1224 WeakPolarHBondContact OD2-CD1 3.26Å; D1168-R1293 VanDerWaalsContact CG-NH1 3.29Å; D1168-R1293 IonicContact OD1-CZ 2.73Å; D1168-R1293 IonicContact OD1-NH1 2.73Å; D1168-R1293 PolarHBondContact OD1-NH1 3.4Å; D1168-R1293 IonicContact OD1-NH2 3.47Å; D1168-R1293 IonicContact OD2-CZ 3.44Å; D1168-R1293 VanDerWaalsContact OD2-CZ 3.27Å; D1168-R1293 IonicContact OD2-NH1 2.77Å; D1168-R1293 PolarHBondContact OD2-NH1 2.97Å; D1168-R1293 IonicContact OD2-NH2 3.5Å; D1168-R1293 PolarHBondContact OD2-NH2 2.89Å |
| 1169 | M | 90.6 | Very high | 76.7 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.3 | -172.1 | -64.5 | 179.6 | 63.4 | 0 | 0 | 108.9 | I1167 P1189 I1212 E1219 I1221 K1551 C1554 I1558 | I1167-M1169 HydrophobicContact CG2-CG 4.27Å; M1169-P1189 HydrophobicContact CB-CB 4.08Å; M1169-P1189 HydrophobicContact CB-CG 4.21Å; M1169-P1189 WeakPolarHBondContact O-CG 3.37Å; M1169-I1212 HydrophobicContact CE-CD1 4.1Å; M1169-E1219 VanDerWaalsContact CE-OE2 3.23Å; M1169-E1219 WeakPolarHBondContact CE-OE2 2.86Å; M1169-I1221 HydrophobicContact CG-CG1 4.35Å; M1169-K1551 HydrophobicContact SD-CB 4.3Å; M1169-K1551 HydrophobicContact SD-CG 4.16Å; M1169-C1554 HydrophobicContact CE-CB 4.1Å; M1169-I1558 HydrophobicContact SD-CD1 4.26Å |
| 1170 | H | 87.4 | Confident | 76.9 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.8 | -177.4 | -80 | -59.3 | 0 | 0 | 0 | 111.7 | D1168 V1172 E1190 E1219 K1220 | D1168-H1170 IonicContact OD1-NE2 2.91Å; D1168-H1170 IonicContact OD2-CD2 3.63Å; D1168-H1170 IonicContact OD2-NE2 3.73Å; D1168-H1170 PolarHBondContact OD2-NE2 3.49Å; H1170-V1172 PolarHBondContact O-N 3.23Å; H1170-E1190 VanDerWaalsContact CA-OE2 3.32Å; H1170-E1190 WeakPolarHBondContact CA-OE2 3.05Å; H1170-E1190 IonicContact CE1-OE2 3.67Å; H1170-E1190 IonicContact CG-OE2 2.8Å; H1170-E1190 IonicContact ND1-OE2 3.27Å; H1170-E1190 PolarHBondContact ND1-OE2 3.07Å; H1170-E1219 CarbonylContact O-C 3.56Å; H1170-E1219 VanDerWaalsContact O-CA 3.25Å; H1170-E1219 WeakPolarHBondContact O-CA 3.34Å; H1170-K1220 PolarHBondContact N-O 2.72Å; H1170-K1220 PolarHBondContact O-N 3.47Å |
| 1171 | L | 86.6 | Confident | 76.4 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 118.5 | 176.3 | -177.1 | 64.5 | 0 | 0 | 0 | 110.1 | P1174 P1189 E1190 E1219 | L1171-P1174 HydrophobicContact CD2-CB 4.38Å; L1171-P1189 HydrophobicContact CB-CG 4.41Å; L1171-E1190 PolarHBondContact N-OE2 2.89Å; L1171-E1219 HydrophobicContact CB-CG 4.3Å; L1171-E1219 HydrophobicContact CD1-CG 3.71Å |
| 1172 | V | 82.9 | Confident | 75.5 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 47% | 0.473 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -38.5 | -175.3 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | H1170 E1218 K1220 | H1170-V1172 PolarHBondContact O-N 3.23Å; V1172-E1218 PolarHBondContact N-O 3.28Å; V1172-K1220 HydrophobicContact CG2-CB 3.98Å; V1172-K1220 HydrophobicContact CG2-CD 3.93Å; V1172-K1220 HydrophobicContact CG2-CG 3.75Å |
| 1173 | K | 78.5 | Confident | 74.2 | Confident | 101 Ų | 101 | 65 Ų | 65 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 94.5 | -176.2 | -153.7 | 176.7 | -173 | -178.7 | 0 | 110.4 | G1217 E1218 | K1173-G1217 CarbonylContact O-C 3.58Å; K1173-G1217 WeakPolarHBondContact O-CA 3.46Å; K1173-E1218 HydrophobicContact CB-CB 3.94Å; K1173-E1218 PolarHBondContact N-O 2.96Å; K1173-E1218 PolarHBondContact O-N 3.45Å |
| 1174 | P | 75.8 | Confident | 73 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 155.7 | 173.8 | 28.4 | -34.1 | 0 | 0 | 0 | 111.1 | L1171 S1216 | L1171-P1174 HydrophobicContact CD2-CB 4.38Å; P1174-S1216 WeakPolarHBondContact CA-O 3.36Å |
| 1175 | F | 71.1 | Confident | 71.9 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 152.4 | 169.6 | -64.3 | -72.4 | 0 | 0 | 0 | 111.3 | Y1180 S1216 G1217 R1481 | F1175-Y1180 HydrophobicContact CB-CD2 4.39Å; F1175-Y1180 HydrophobicContact CB-CE2 3.75Å; F1175-Y1180 WeakPolarHBondContact O-CE2 3.33Å; F1175-S1216 PolarHBondContact N-O 3.33Å; F1175-G1217 VanDerWaalsContact CE2-CA 3.46Å; F1175-R1481 HydrophobicContact CE1-CB 4.13Å; F1175-R1481 HydrophobicContact CE1-CG 4.32Å; F1175-R1481 HydrophobicContact CE2-CG 4.32Å; F1175-R1481 HydrophobicContact CZ-CB 4.03Å; F1175-R1481 VanDerWaalsContact CZ-CD 3.42Å; F1175-R1481 HydrophobicContact CZ-CG 3.71Å |
| 1176 | A | 65.5 | Low | 71 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -73 | 148.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1178 Q1179 Y1180 | A1176-Q1178 VanDerWaalsContact C-N 3.28Å; A1176-Q1178 PolarHBondContact O-N 3.3Å; A1176-Q1179 WeakPolarHBondContact O-CB 3.47Å; A1176-Q1179 PolarHBondContact O-N 2.89Å; A1176-Y1180 WeakPolarHBondContact O-CD2 3.38Å |
| 1177 | E | 57.3 | Low | 70.3 | Confident | 179 Ų | 179 | 76.8 Ų | 76.8 | 84% | 0.836 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -57.6 | -37.8 | -174.4 | -65.9 | -160.4 | 130.8 | 0 | 0 | 113.5 | Q1179 Y1180 | E1177-Q1179 PolarHBondContact O-N 2.9Å; E1177-Q1179 VanDerWaalsContact O-N 3.17Å; E1177-Y1180 WeakPolarHBondContact O-CB 3.45Å; E1177-Y1180 PolarHBondContact O-N 2.71Å |
| 1178 | Q | 55.1 | Low | 69.8 | Low | 183 Ų | 183 | 80.6 Ų | 80.6 | 86% | 0.855 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -57.9 | -27.8 | 174.9 | -65.9 | 172.1 | -14 | 0 | 0 | 113.5 | A1176 | A1176-Q1178 VanDerWaalsContact C-N 3.28Å; A1176-Q1178 PolarHBondContact O-N 3.3Å |
| 1179 | Q | 56.2 | Low | 69.4 | Low | 113 Ų | 113 | 80.9 Ų | 80.9 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -82.4 | -14.4 | 176.6 | -62.6 | -176.3 | -12 | 0 | 0 | 112.6 | A1176 E1177 L1181 | A1176-Q1179 WeakPolarHBondContact O-CB 3.47Å; A1176-Q1179 PolarHBondContact O-N 2.89Å; E1177-Q1179 PolarHBondContact O-N 2.9Å; E1177-Q1179 VanDerWaalsContact O-N 3.17Å; Q1179-L1181 VanDerWaalsContact C-N 3.27Å; Q1179-L1181 PolarHBondContact O-N 2.91Å; Q1179-L1181 VanDerWaalsContact O-N 3.08Å |
| 1180 | Y | 58.5 | Low | 69 | Low | 50 Ų | 50 | 83.3 Ų | 83.3 | 20% | 0.196 | 43% | 0.43 | C | S | . | . | trans | -84.1 | 67 | 171.7 | -70.6 | -84.2 | 0 | 0 | 0 | 111.2 | F1175 A1176 E1177 R1182 G1183 R1184 S1216 | F1175-Y1180 HydrophobicContact CB-CD2 4.39Å; F1175-Y1180 HydrophobicContact CB-CE2 3.75Å; F1175-Y1180 WeakPolarHBondContact O-CE2 3.33Å; A1176-Y1180 WeakPolarHBondContact O-CD2 3.38Å; E1177-Y1180 WeakPolarHBondContact O-CB 3.45Å; E1177-Y1180 PolarHBondContact O-N 2.71Å; Y1180-R1182 PolarHBondContact O-N 3.48Å; Y1180-G1183 PolarHBondContact O-N 3.06Å; Y1180-R1184 HydrophobicContact CD1-CB 4.38Å; Y1180-S1216 PolarHBondContact OH-O 2.9Å; Y1180-S1216 VanDerWaalsContact OH-O 3.13Å | ||
| 1181 | L | 50.4 | Low | 68.7 | Low | 167 Ų | 167 | 85.8 Ų | 85.8 | 87% | 0.874 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 8 | 174 | -75.5 | 165.3 | 0 | 0 | 0 | 116.6 | Q1179 | Q1179-L1181 VanDerWaalsContact C-N 3.27Å; Q1179-L1181 PolarHBondContact O-N 2.91Å; Q1179-L1181 VanDerWaalsContact O-N 3.08Å |
| 1182 | R | 53 | Low | 68.5 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 5.9 | 178.2 | -69.7 | -176.4 | 163.8 | 177.2 | -8.2 | 114 | Y1180 R1184 L1528 | Y1180-R1182 PolarHBondContact O-N 3.48Å; R1182-R1184 HydrophobicContact CB-CG 3.93Å; R1182-L1528 PolarHBondContact NH2-O 2.95Å |
| 1183 | G | 53 | Low | 68.5 | Low | 60 Ų | 60 | 85 Ų | 85 | 62% | 0.619 | 44% | 0.441 | S | S | * | . | trans | 56.3 | 63.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1180 | Y1180-G1183 PolarHBondContact O-N 3.06Š| ||
| 1184 | R | 59.9 | Low | 68.9 | Low | 90 Ų | 90 | 81.5 Ų | 81.5 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | trans | -120.2 | 131.9 | -167.2 | -69.6 | 177.3 | 169.7 | -158.6 | -16.6 | 112.3 | Y1180 R1182 C1186 D1469 | Y1180-R1184 HydrophobicContact CD1-CB 4.38Å; R1182-R1184 HydrophobicContact CB-CG 3.93Å; R1184-C1186 PolarHBondContact O-N 3.05Å; R1184-D1469 IonicContact CZ-OD1 2.86Å; R1184-D1469 IonicContact CZ-OD2 3.85Å; R1184-D1469 IonicContact NH1-OD1 2.89Å; R1184-D1469 PolarHBondContact NH1-OD1 2.7Å; R1184-D1469 IonicContact NH1-OD2 3.75Å; R1184-D1469 PolarHBondContact NH1-OD2 2.92Å; R1184-D1469 VanDerWaalsContact NH2-CG 3.34Å; R1184-D1469 IonicContact NH2-OD1 3.26Å; R1184-D1469 PolarHBondContact NH2-OD1 3.41Å; R1184-D1469 IonicContact NH2-OD2 2.71Å | ||
| 1185 | V | 64.4 | Low | 69.6 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 68% | 0.679 | 40% | 0.404 | S | S | * | . | trans | -63.8 | 123.9 | -179 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1186 | C | 72.4 | Confident | 70.6 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 25% | 0.25 | 40% | 0.397 | C | S | . | . | trans | -69.2 | 134.5 | 171.4 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | R1184 | R1184-C1186 PolarHBondContact O-N 3.05Š| ||
| 1187 | H | 75.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 22% | 0.218 | 38% | 0.375 | C | S | . | . | trans | -114 | 115.7 | -177.6 | -175.5 | -59.2 | 0 | 0 | 0 | 110.4 | P1189 S1216 S1547 R1550 | H1187-P1189 WeakPolarHBondContact O-CD 3.39Å; H1187-S1216 PolarHBondContact N-OG 2.73Å; H1187-S1216 WeakPolarHBondContact O-CB 3.46Å; H1187-S1216 PolarHBondContact O-OG 2.92Å; H1187-S1547 WeakPolarHBondContact NE2-CB 3.36Å; H1187-R1550 VanDerWaalsContact CB-NH1 3.26Å | ||
| 1188 | H | 81.8 | Confident | 73.3 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | trans | -72.8 | 117.1 | 174.8 | -70.4 | 82 | 0 | 0 | 0 | 109.7 | E1190 N1191 | H1188-E1190 VanDerWaalsContact C-N 3.26Å; H1188-E1190 WeakPolarHBondContact CB-OE1 3.48Å; H1188-E1190 IonicContact CD2-OE1 2.73Å; H1188-E1190 PolarHBondContact O-N 2.87Å; H1188-N1191 PolarHBondContact O-N 3.48Å | ||
| 1189 | P | 81.6 | Confident | 75 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -66.5 | -24.6 | -176.8 | 27 | -35.4 | 0 | 0 | 0 | 113.5 | M1169 L1171 H1187 N1191 E1219 K1551 | M1169-P1189 HydrophobicContact CB-CB 4.08Å; M1169-P1189 HydrophobicContact CB-CG 4.21Å; M1169-P1189 WeakPolarHBondContact O-CG 3.37Å; L1171-P1189 HydrophobicContact CB-CG 4.41Å; H1187-P1189 WeakPolarHBondContact O-CD 3.39Å; P1189-N1191 VanDerWaalsContact C-N 3.3Å; P1189-N1191 PolarHBondContact O-N 3.48Å; P1189-E1219 HydrophobicContact CG-CG 4.28Å; P1189-K1551 WeakPolarHBondContact O-CE 3.14Å; P1189-K1551 PolarHBondContact O-NZ 3.01Å |
| 1190 | E | 81.7 | Confident | 76.5 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -73.2 | -16.7 | 179 | 53.7 | -91.6 | 97.1 | 0 | 0 | 114.5 | H1170 L1171 H1188 E1192 | H1170-E1190 VanDerWaalsContact CA-OE2 3.32Å; H1170-E1190 WeakPolarHBondContact CA-OE2 3.05Å; H1170-E1190 IonicContact CE1-OE2 3.67Å; H1170-E1190 IonicContact CG-OE2 2.8Å; H1170-E1190 IonicContact ND1-OE2 3.27Å; H1170-E1190 PolarHBondContact ND1-OE2 3.07Å; L1171-E1190 PolarHBondContact N-OE2 2.89Å; H1188-E1190 VanDerWaalsContact C-N 3.26Å; H1188-E1190 WeakPolarHBondContact CB-OE1 3.48Å; H1188-E1190 IonicContact CD2-OE1 2.73Å; H1188-E1190 PolarHBondContact O-N 2.87Å; E1190-E1192 PolarHBondContact O-N 3.3Å |
| 1191 | N | 81.9 | Confident | 77.7 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 65% | 0.652 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -68.3 | -19.1 | -179.8 | -70.5 | 8.4 | 0 | 0 | 0 | 113.7 | H1188 P1189 | H1188-N1191 PolarHBondContact O-N 3.48Å; P1189-N1191 VanDerWaalsContact C-N 3.3Å; P1189-N1191 PolarHBondContact O-N 3.48Å |
| 1192 | E | 83.2 | Confident | 79.3 | Confident | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | trans | -99.3 | 116.1 | 178.8 | -179 | 65.2 | -116.3 | 0 | 0 | 109.5 | E1190 I1194 S1547 V1548 K1551 | E1190-E1192 PolarHBondContact O-N 3.3Å; E1192-I1194 VanDerWaalsContact C-N 3.27Å; E1192-I1194 HydrophobicContact CG-CB 4.33Å; E1192-I1194 WeakPolarHBondContact CG-O 3.11Å; E1192-I1194 PolarHBondContact O-N 3.42Å; E1192-S1547 VanDerWaalsContact CD-OG 3.31Å; E1192-S1547 VanDerWaalsContact OE2-CB 3.25Å; E1192-S1547 WeakPolarHBondContact OE2-CB 3.26Å; E1192-S1547 PolarHBondContact OE2-OG 2.93Å; E1192-V1548 HydrophobicContact CG-CG2 4.04Å; E1192-K1551 PolarHBondContact O-NZ 3.15Å | ||
| 1193 | P | 81.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 34% | 0.338 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -70.9 | -22.3 | -179.1 | 28.4 | -35.6 | 0 | 0 | 0 | 113.3 | R1293 | P1193-R1293 PolarHBondContact O-N 3.43Š|
| 1194 | I | 88 | Confident | 82.1 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.9 | 172.9 | -59.2 | 175.2 | 0 | 0 | 0 | 109.2 | E1192 R1292 V1548 K1551 | E1192-I1194 VanDerWaalsContact C-N 3.27Å; E1192-I1194 HydrophobicContact CG-CB 4.33Å; E1192-I1194 WeakPolarHBondContact CG-O 3.11Å; E1192-I1194 PolarHBondContact O-N 3.42Å; I1194-R1292 HydrophobicContact CG1-CG 3.85Å; I1194-V1548 HydrophobicContact CB-CG2 4.04Å; I1194-V1548 HydrophobicContact CG2-CG1 4.46Å; I1194-V1548 HydrophobicContact CG2-CG2 3.85Å; I1194-K1551 PolarHBondContact O-NZ 3.04Å |
| 1195 | G | 88.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | -158.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1290 A1291 | G1195-P1290 WeakPolarHBondContact O-CA 3.45Å; G1195-A1291 CarbonylContact C-O 3.6Å; G1195-A1291 PolarHBondContact N-O 3.45Å; G1195-A1291 PolarHBondContact O-N 2.89Å |
| 1196 | F | 92.7 | Very high | 83 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147 | 178.3 | -66.9 | -81.7 | 0 | 0 | 0 | 110.2 | I1167 F1258 L1262 V1288 V1289 F1544 V1548 K1551 A1552 I1555 | I1167-F1196 WeakPolarHBondContact CB-O 3.25Å; I1167-F1196 HydrophobicContact CD1-CB 4.36Å; I1167-F1196 PolarHBondContact N-O 2.87Å; F1196-F1258 HydrophobicContact CE1-CE1 4.25Å; F1196-F1258 HydrophobicContact CE1-CZ 4.21Å; F1196-L1262 HydrophobicContact CD1-CD2 4.25Å; F1196-L1262 HydrophobicContact CE1-CD1 3.98Å; F1196-L1262 HydrophobicContact CE1-CD2 3.86Å; F1196-L1262 HydrophobicContact CZ-CD1 4.07Å; F1196-V1288 HydrophobicContact CB-CG1 4.19Å; F1196-V1288 HydrophobicContact CD1-CG1 3.89Å; F1196-V1288 HydrophobicContact CG-CG1 4.34Å; F1196-V1289 CarbonylContact C-O 3.59Å; F1196-V1289 WeakPolarHBondContact CA-O 3.49Å; F1196-F1544 HydrophobicContact CZ-CE1 4.49Å; F1196-V1548 HydrophobicContact CE2-CG1 4.04Å; F1196-V1548 HydrophobicContact CZ-CG1 3.9Å; F1196-K1551 HydrophobicContact CD2-CB 4.1Å; F1196-K1551 HydrophobicContact CE2-CB 4.05Å; F1196-A1552 HydrophobicContact CE2-CB 3.74Å; F1196-A1552 HydrophobicContact CZ-CB 3.73Å; F1196-I1555 HydrophobicContact CB-CD1 3.78Å; F1196-I1555 HydrophobicContact CD2-CD1 4.07Å; F1196-I1555 HydrophobicContact CD2-CG1 4.31Å; F1196-I1555 HydrophobicContact CG-CD1 3.97Å; F1196-I1555 HydrophobicContact CG-CG1 4.44Å |
| 1197 | G | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1165 V1288 V1289 | Y1165-G1197 CarbonylContact O-C 3.56Å; Y1165-G1197 WeakPolarHBondContact O-CA 3.46Å; G1197-V1288 WeakPolarHBondContact O-CA 3.3Å; G1197-V1289 PolarHBondContact N-O 3.2Å; G1197-V1289 PolarHBondContact O-N 2.87Å |
| 1198 | L | 90.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118 | 174.5 | -55.8 | -177 | 0 | 0 | 0 | 109.3 | L1164 Y1165 I1167 T1200 F1223 V1286 V1288 L1559 L1562 | L1164-L1198 WeakPolarHBondContact CA-O 3.42Å; Y1165-L1198 PolarHBondContact N-O 3.38Å; Y1165-L1198 PolarHBondContact O-N 3.5Å; I1167-L1198 HydrophobicContact CD1-CD2 4.25Å; I1167-L1198 HydrophobicContact CD1-CG 4.33Å; L1198-T1200 HydrophobicContact CB-CG2 4.5Å; L1198-F1223 HydrophobicContact CD1-CD1 4.44Å; L1198-F1223 HydrophobicContact CD1-CE1 3.75Å; L1198-F1223 HydrophobicContact CG-CE1 4.44Å; L1198-V1286 HydrophobicContact CB-CG1 4.06Å; L1198-V1286 HydrophobicContact CD2-CG1 4.21Å; L1198-V1288 HydrophobicContact CD2-CG2 3.83Å; L1198-L1559 HydrophobicContact CD1-CD2 4.21Å; L1198-L1559 HydrophobicContact CD2-CD2 3.87Å; L1198-L1562 HydrophobicContact CD1-CD2 3.47Å; L1198-L1562 VanDerWaalsContact CD1-CD2 3.47Å |
| 1199 | L | 89.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.9 | 172.6 | -175.5 | 69.8 | 0 | 0 | 0 | 109.1 | N1162 L1164 W1227 L1247 L1255 L1287 V1289 | N1162-L1199 HydrophobicContact CB-CD1 4.06Å; L1164-L1199 HydrophobicContact CD1-CB 4.4Å; L1199-W1227 HydrophobicContact CD1-CE3 4.15Å; L1199-W1227 HydrophobicContact CD1-CZ3 3.97Å; L1199-L1247 HydrophobicContact CD2-CD1 3.86Å; L1199-L1255 HydrophobicContact CD2-CD1 4.02Å; L1199-L1287 HydrophobicContact CB-CB 4.28Å; L1199-L1287 HydrophobicContact CD2-CD1 4.39Å; L1199-L1287 PolarHBondContact N-O 2.86Å; L1199-L1287 PolarHBondContact O-N 3.47Å; L1199-V1289 HydrophobicContact CB-CG1 4.26Å; L1199-V1289 HydrophobicContact CB-CG2 4.5Å |
| 1200 | T | 87.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.9 | -170.2 | 55.5 | 0 | 0 | 0 | 0 | 111 | N1162 Y1163 L1198 K1202 V1286 | N1162-T1200 CarbonylContact C-O 3.58Å; N1162-T1200 WeakPolarHBondContact CA-O 3.23Å; Y1163-T1200 PolarHBondContact N-O 3.07Å; Y1163-T1200 PolarHBondContact O-N 2.99Å; Y1163-T1200 PolarHBondContact O-OG1 3.17Å; L1198-T1200 HydrophobicContact CB-CG2 4.5Å; T1200-K1202 PolarHBondContact OG1-O 3.4Å; T1200-V1286 HydrophobicContact CG2-CG1 3.84Å; T1200-V1286 HydrophobicContact CG2-CG2 3.96Å |
| 1201 | T | 83.8 | Confident | 85 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 22% | 0.221 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -97.1 | -9.5 | 173 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | C1152 L1153 P1154 | C1152-T1201 WeakPolarHBondContact CA-OG1 3.2Å; L1153-T1201 WeakPolarHBondContact O-CG2 3.35Å; P1154-T1201 HydrophobicContact CB-CG2 4.45Å |
| 1202 | K | 84.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 28.7 Ų | 28.7 | 30% | 0.296 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -111.6 | 138.8 | 176.7 | -61.7 | 175.6 | -172.7 | 165.3 | 0 | 109.2 | T1147 S1150 C1152 T1200 | T1147-K1202 WeakPolarHBondContact O-CD 3.35Å; T1147-K1202 PolarHBondContact O-NZ 2.77Å; S1150-K1202 PolarHBondContact O-NZ 3.27Å; C1152-K1202 VanDerWaalsContact SG-CD 3.57Å; T1200-K1202 PolarHBondContact OG1-O 3.4Å |
| 1203 | P | 83.1 | Confident | 85.4 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 41% | 0.409 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 139 | 172.7 | 27.3 | -32.6 | 0 | 0 | 0 | 110 | Y1163 | Y1163-P1203 HydrophobicContact CD1-CB 4.31Å; Y1163-P1203 HydrophobicContact CE1-CB 3.76Å; Y1163-P1203 HydrophobicContact CE2-CB 4.18Å; Y1163-P1203 HydrophobicContact CE2-CG 4.4Å |
| 1204 | L | 81.9 | Confident | 85.5 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 145.3 | 170.4 | -64.2 | 176.1 | 0 | 0 | 0 | 109.4 | Q1148 I1149 Y1165 I1207 L1566 | Q1148-L1204 HydrophobicContact CB-CD2 4.41Å; I1149-L1204 HydrophobicContact CG2-CD2 3.77Å; Y1165-L1204 HydrophobicContact CD1-CD1 4.48Å; Y1165-L1204 HydrophobicContact CD2-CD1 3.49Å; Y1165-L1204 VanDerWaalsContact CD2-CD1 3.49Å; Y1165-L1204 HydrophobicContact CD2-CG 3.89Å; Y1165-L1204 HydrophobicContact CE2-CB 4.01Å; Y1165-L1204 HydrophobicContact CE2-CD1 3.81Å; Y1165-L1204 HydrophobicContact CE2-CG 3.65Å; Y1165-L1204 HydrophobicContact CG-CD1 3.87Å; Y1165-L1204 PolarHBondContact OH-N 2.91Å; L1204-I1207 HydrophobicContact CB-CD1 3.89Å; L1204-I1207 HydrophobicContact CD1-CD1 3.85Å; L1204-I1207 HydrophobicContact CG-CD1 4.41Å; L1204-L1566 HydrophobicContact CD2-CD1 4.24Å; L1204-L1566 HydrophobicContact CD2-CD2 4.49Å |
| 1205 | H | 72.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 24% | 0.241 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 170.8 | 170.4 | -75 | -142.2 | 0 | 0 | 0 | 110.2 | Q1148 I1207 E1569 | Q1148-H1205 PolarHBondContact NE2-CD2 2.86Å; Q1148-H1205 PolarHBondContact NE2-NE2 3.34Å; H1205-I1207 WeakPolarHBondContact O-CG1 3.47Å; H1205-I1207 PolarHBondContact O-N 3.31Å; H1205-E1569 HydrophobicContact CB-CG 3.68Å; H1205-E1569 WeakPolarHBondContact ND1-CG 3.33Å; H1205-E1569 IonicContact ND1-OE1 2.85Å; H1205-E1569 PolarHBondContact ND1-OE1 2.75Å; H1205-E1569 VanDerWaalsContact ND1-OE1 3.09Å |
| 1206 | H | 71.9 | Confident | 84.4 | Confident | 113 Ų | 113 | 27.7 Ų | 27.7 | 52% | 0.523 | 14% | 0.139 | S | C | . | . | trans | -65.6 | 97.4 | 179.8 | -171.7 | 73.8 | 0 | 0 | 0 | 111.9 | ||||
| 1207 | I | 82.1 | Confident | 83.9 | Confident | 26 Ų | 26 | 27.5 Ų | 27.5 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 121.2 | 179.1 | -63.8 | 142.8 | 0 | 0 | 0 | 109.1 | L1204 H1205 F1210 F1223 L1562 L1565 | L1204-I1207 HydrophobicContact CB-CD1 3.89Å; L1204-I1207 HydrophobicContact CD1-CD1 3.85Å; L1204-I1207 HydrophobicContact CG-CD1 4.41Å; H1205-I1207 WeakPolarHBondContact O-CG1 3.47Å; H1205-I1207 PolarHBondContact O-N 3.31Å; I1207-F1210 HydrophobicContact CG2-CD1 4.47Å; I1207-F1210 HydrophobicContact CG2-CE1 4.18Å; I1207-F1223 HydrophobicContact CB-CD2 4.3Å; I1207-F1223 HydrophobicContact CD1-CB 4.42Å; I1207-F1223 HydrophobicContact CD1-CD2 4.13Å; I1207-F1223 HydrophobicContact CD1-CG 4.16Å; I1207-F1223 HydrophobicContact CG2-CD2 3.78Å; I1207-F1223 HydrophobicContact CG2-CE2 4.05Å; I1207-L1562 HydrophobicContact CD1-CD1 3.4Å; I1207-L1562 HydrophobicContact CG1-CD1 3.69Å; I1207-L1562 HydrophobicContact CG2-CD1 4.24Å; I1207-L1565 HydrophobicContact CG2-CD1 4.35Å |
| 1208 | P | 84.2 | Confident | 83.7 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 149.2 | 174.8 | 29.2 | -34.4 | 0 | 0 | 0 | 110.8 | F1210 L1565 P1949 T1950 | P1208-F1210 WeakPolarHBondContact O-CD1 3.43Å; P1208-F1210 PolarHBondContact O-N 3.06Å; P1208-L1565 HydrophobicContact CG-CD1 4.37Å; P1208-L1565 HydrophobicContact CG-CD2 3.96Å; P1208-P1949 HydrophobicContact CG-CB 4.29Å; P1208-P1949 HydrophobicContact CG-CG 4.49Å; P1208-T1950 WeakPolarHBondContact CG-OG1 3.44Å |
| 1209 | I | 87.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 28.6 Ų | 28.6 | 43% | 0.426 | 14% | 0.144 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 130.6 | 173 | -65.8 | 173.5 | 0 | 0 | 0 | 108.8 | K1220 I1221 R1222 F1597 | I1209-K1220 HydrophobicContact CG2-CB 3.9Å; I1209-K1220 HydrophobicContact CG2-CD 4.33Å; I1209-I1221 VanDerWaalsContact CA-O 3.29Å; I1209-I1221 WeakPolarHBondContact CA-O 3.46Å; I1209-I1221 WeakPolarHBondContact CG2-O 3.06Å; I1209-R1222 HydrophobicContact CD1-CB 4.49Å; I1209-R1222 HydrophobicContact CD1-CG 4.31Å; I1209-R1222 HydrophobicContact CG1-CB 4.13Å; I1209-R1222 HydrophobicContact CG1-CG 4.08Å; I1209-F1597 WeakPolarHBondContact O-CD2 3.3Å; I1209-F1597 WeakPolarHBondContact O-CE2 3.09Å |
| 1210 | F | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152 | 178.8 | 60 | -100.4 | 0 | 0 | 0 | 113 | I1207 P1208 I1212 I1221 F1223 I1558 R1561 L1565 F1597 | I1207-F1210 HydrophobicContact CG2-CD1 4.47Å; I1207-F1210 HydrophobicContact CG2-CE1 4.18Å; P1208-F1210 WeakPolarHBondContact O-CD1 3.43Å; P1208-F1210 PolarHBondContact O-N 3.06Å; F1210-I1212 HydrophobicContact CD2-CG2 4.48Å; F1210-I1212 HydrophobicContact CE2-CG2 4.38Å; F1210-I1221 HydrophobicContact CD2-CB 4.4Å; F1210-I1221 HydrophobicContact CE2-CB 4.18Å; F1210-I1221 HydrophobicContact CE2-CD1 4.11Å; F1210-I1221 HydrophobicContact CE2-CG2 4.42Å; F1210-I1221 HydrophobicContact CZ-CB 4.47Å; F1210-I1221 HydrophobicContact CZ-CG2 4.27Å; F1210-I1221 PolarHBondContact N-O 3.19Å; F1210-I1221 PolarHBondContact O-N 2.84Å; F1210-F1223 AromaticContact CE1-CE2 3.9Å; F1210-F1223 HydrophobicContact CE1-CE2 3.9Å; F1210-F1223 HydrophobicContact CZ-CE2 4.11Å; F1210-I1558 HydrophobicContact CZ-CG2 4.22Å; F1210-R1561 HydrophobicContact CD1-CG 4.21Å; F1210-R1561 HydrophobicContact CD2-CB 4.21Å; F1210-R1561 HydrophobicContact CD2-CG 3.64Å; F1210-R1561 HydrophobicContact CE1-CG 4.24Å; F1210-R1561 HydrophobicContact CE2-CB 3.74Å; F1210-R1561 HydrophobicContact CE2-CG 3.69Å; F1210-R1561 HydrophobicContact CG-CG 3.91Å; F1210-R1561 HydrophobicContact CZ-CB 3.93Å; F1210-R1561 HydrophobicContact CZ-CG 3.99Å; F1210-L1565 HydrophobicContact CD1-CD1 3.37Å; F1210-L1565 HydrophobicContact CE1-CD1 3.69Å; F1210-L1565 HydrophobicContact CG-CD1 4.22Å; F1210-F1597 HydrophobicContact CB-CE2 3.76Å; F1210-F1597 HydrophobicContact CB-CZ 3.86Å |
| 1211 | P | 89.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 153.8 | 177.9 | 34.3 | -35 | 0 | 0 | 0 | 113.1 | F1213 E1218 E1219 K1220 F1597 F1964 | P1211-F1213 HydrophobicContact CB-CZ 4.29Å; P1211-F1213 HydrophobicContact CG-CZ 4.44Å; P1211-E1218 HydrophobicContact CB-CG 4.13Å; P1211-E1219 CarbonylContact C-O 3.56Å; P1211-E1219 WeakPolarHBondContact CA-O 3.39Å; P1211-K1220 HydrophobicContact CB-CG 4.4Å; P1211-F1597 HydrophobicContact CG-CD1 3.85Å; P1211-F1597 HydrophobicContact CG-CE1 4.12Å; P1211-F1597 HydrophobicContact CG-CG 4.45Å; P1211-F1964 HydrophobicContact CG-CE2 4.27Å; P1211-F1964 HydrophobicContact CG-CZ 3.77Å |
| 1212 | I | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.2 | 158.9 | 66.6 | 161 | 0 | 0 | 0 | 109.6 | M1169 F1210 E1219 I1221 L1477 L1478 C1554 | M1169-I1212 HydrophobicContact CE-CD1 4.1Å; F1210-I1212 HydrophobicContact CD2-CG2 4.48Å; F1210-I1212 HydrophobicContact CE2-CG2 4.38Å; I1212-E1219 HydrophobicContact CG1-CB 4.07Å; I1212-E1219 PolarHBondContact N-O 3.05Å; I1212-E1219 PolarHBondContact O-N 3.14Å; I1212-I1221 HydrophobicContact CB-CD1 4.49Å; I1212-I1221 HydrophobicContact CD1-CD1 3.88Å; I1212-I1221 HydrophobicContact CG1-CD1 3.9Å; I1212-I1221 HydrophobicContact CG1-CG1 4.39Å; I1212-I1221 HydrophobicContact CG2-CD1 3.8Å; I1212-L1477 HydrophobicContact CB-CB 4.49Å; I1212-L1477 HydrophobicContact CD1-CD1 4.44Å; I1212-L1478 HydrophobicContact CG2-CD2 4.36Å; I1212-C1554 HydrophobicContact CD1-CB 3.86Å |
| 1213 | F | 86.5 | Confident | 84.4 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.066 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 88.5 | -173.8 | -55.2 | -76.9 | 0 | 0 | 0 | 110.8 | P1211 E1218 L1477 L1478 P1480 F1964 | P1211-F1213 HydrophobicContact CB-CZ 4.29Å; P1211-F1213 HydrophobicContact CG-CZ 4.44Å; F1213-E1218 HydrophobicContact CD1-CB 4.25Å; F1213-E1218 HydrophobicContact CD1-CG 4.43Å; F1213-E1218 HydrophobicContact CE1-CB 4.15Å; F1213-E1218 HydrophobicContact CE1-CG 3.92Å; F1213-L1477 PolarHBondContact N-O 3.14Å; F1213-L1478 WeakPolarHBondContact CD2-O 3.38Å; F1213-L1478 VanDerWaalsContact CE2-O 3.31Å; F1213-L1478 WeakPolarHBondContact CE2-O 3.5Å; F1213-P1480 HydrophobicContact CD1-CB 4.3Å; F1213-P1480 HydrophobicContact CD1-CG 4.28Å; F1213-P1480 HydrophobicContact CD2-CG 4.12Å; F1213-P1480 HydrophobicContact CE1-CB 4.4Å; F1213-P1480 HydrophobicContact CE1-CG 3.99Å; F1213-P1480 HydrophobicContact CE2-CG 3.82Å; F1213-P1480 HydrophobicContact CG-CB 4.4Å; F1213-P1480 HydrophobicContact CG-CG 4.34Å; F1213-P1480 HydrophobicContact CZ-CG 3.76Å; F1213-F1964 HydrophobicContact CE2-CD1 4.35Å; F1213-F1964 HydrophobicContact CE2-CE1 4.49Å |
| 1214 | S | 83 | Confident | 84.6 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | trans | -79.9 | -161.9 | -173 | 90.4 | 0 | 0 | 0 | 0 | 112.3 | S1216 G1217 E1219 R1481 | S1214-S1216 PolarHBondContact OG-N 2.85Å; S1214-G1217 PolarHBondContact N-O 3.1Å; S1214-G1217 PolarHBondContact OG-N 2.84Å; S1214-E1219 VanDerWaalsContact CB-OE1 3.22Å; S1214-E1219 WeakPolarHBondContact CB-OE1 3.23Å; S1214-E1219 WeakPolarHBondContact CB-OE2 3.28Å; S1214-E1219 PolarHBondContact OG-OE1 2.8Å; S1214-R1481 VanDerWaalsContact C-NH2 3.35Å; S1214-R1481 PolarHBondContact O-NE 2.86Å; S1214-R1481 PolarHBondContact O-NH2 2.8Å | ||
| 1215 | R | 75.8 | Confident | 84.7 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -78.8 | -21.9 | 165.8 | -71.5 | -170.8 | -166.9 | -163 | 5.5 | 113.3 | D1469 L1470 T1471 | R1215-D1469 IonicContact CZ-OD2 3.71Å; R1215-D1469 IonicContact NH1-OD1 2.78Å; R1215-D1469 PolarHBondContact NH1-OD1 2.96Å; R1215-D1469 IonicContact NH1-OD2 3.41Å; R1215-D1469 PolarHBondContact NH1-OD2 3Å; R1215-L1470 VanDerWaalsContact CZ-O 3.23Å; R1215-L1470 PolarHBondContact NH1-O 3.11Å; R1215-L1470 PolarHBondContact NH2-O 3.4Å; R1215-T1471 PolarHBondContact NH2-O 2.89Å |
| 1216 | S | 79.2 | Confident | 85.3 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -85.7 | -38.2 | -178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | P1174 F1175 Y1180 H1187 S1214 | P1174-S1216 WeakPolarHBondContact CA-O 3.36Å; F1175-S1216 PolarHBondContact N-O 3.33Å; Y1180-S1216 PolarHBondContact OH-O 2.9Å; Y1180-S1216 VanDerWaalsContact OH-O 3.13Å; H1187-S1216 PolarHBondContact N-OG 2.73Å; H1187-S1216 WeakPolarHBondContact O-CB 3.46Å; H1187-S1216 PolarHBondContact O-OG 2.92Å; S1214-S1216 PolarHBondContact OG-N 2.85Å |
| 1217 | G | 80.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | -155.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1173 F1175 S1214 | K1173-G1217 CarbonylContact O-C 3.58Å; K1173-G1217 WeakPolarHBondContact O-CA 3.46Å; F1175-G1217 VanDerWaalsContact CE2-CA 3.46Å; S1214-G1217 PolarHBondContact N-O 3.1Å; S1214-G1217 PolarHBondContact OG-N 2.84Å |
| 1218 | E | 87.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 25 Ų | 25 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 113.5 | 161.4 | -177.8 | -175 | 160.2 | 0 | 0 | 108.8 | V1172 K1173 P1211 F1213 K1220 S1601 | V1172-E1218 PolarHBondContact N-O 3.28Å; K1173-E1218 HydrophobicContact CB-CB 3.94Å; K1173-E1218 PolarHBondContact N-O 2.96Å; K1173-E1218 PolarHBondContact O-N 3.45Å; P1211-E1218 HydrophobicContact CB-CG 4.13Å; F1213-E1218 HydrophobicContact CD1-CB 4.25Å; F1213-E1218 HydrophobicContact CD1-CG 4.43Å; F1213-E1218 HydrophobicContact CE1-CB 4.15Å; F1213-E1218 HydrophobicContact CE1-CG 3.92Å; E1218-K1220 WeakPolarHBondContact OE1-CE 3.3Å; E1218-K1220 IonicContact OE1-NZ 3.42Å; E1218-S1601 PolarHBondContact OE1-OG 2.99Å; E1218-S1601 PolarHBondContact OE2-OG 2.82Å |
| 1219 | E | 88.9 | Confident | 85 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.033 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129 | 176 | -72 | 169.9 | -168.2 | 0 | 0 | 109.2 | M1169 H1170 L1171 P1189 P1211 I1212 S1214 | M1169-E1219 VanDerWaalsContact CE-OE2 3.23Å; M1169-E1219 WeakPolarHBondContact CE-OE2 2.86Å; H1170-E1219 CarbonylContact O-C 3.56Å; H1170-E1219 VanDerWaalsContact O-CA 3.25Å; H1170-E1219 WeakPolarHBondContact O-CA 3.34Å; L1171-E1219 HydrophobicContact CB-CG 4.3Å; L1171-E1219 HydrophobicContact CD1-CG 3.71Å; P1189-E1219 HydrophobicContact CG-CG 4.28Å; P1211-E1219 CarbonylContact C-O 3.56Å; P1211-E1219 WeakPolarHBondContact CA-O 3.39Å; I1212-E1219 HydrophobicContact CG1-CB 4.07Å; I1212-E1219 PolarHBondContact N-O 3.05Å; I1212-E1219 PolarHBondContact O-N 3.14Å; S1214-E1219 VanDerWaalsContact CB-OE1 3.22Å; S1214-E1219 WeakPolarHBondContact CB-OE1 3.23Å; S1214-E1219 WeakPolarHBondContact CB-OE2 3.28Å; S1214-E1219 PolarHBondContact OG-OE1 2.8Å |
| 1220 | K | 90.7 | Very high | 83.9 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 12% | 0.122 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.5 | 175.9 | -69.9 | -169.6 | -174.3 | -177 | 0 | 110.9 | H1170 V1172 I1209 P1211 E1218 V1598 | H1170-K1220 PolarHBondContact N-O 2.72Å; H1170-K1220 PolarHBondContact O-N 3.47Å; V1172-K1220 HydrophobicContact CG2-CB 3.98Å; V1172-K1220 HydrophobicContact CG2-CD 3.93Å; V1172-K1220 HydrophobicContact CG2-CG 3.75Å; I1209-K1220 HydrophobicContact CG2-CB 3.9Å; I1209-K1220 HydrophobicContact CG2-CD 4.33Å; P1211-K1220 HydrophobicContact CB-CG 4.4Å; E1218-K1220 WeakPolarHBondContact OE1-CE 3.3Å; E1218-K1220 IonicContact OE1-NZ 3.42Å; K1220-V1598 VanDerWaalsContact NZ-CG2 3.32Å |
| 1221 | I | 91.2 | Very high | 81.8 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.3 | -172.3 | -61 | -172.7 | 0 | 0 | 0 | 110.6 | I1167 D1168 M1169 I1209 F1210 I1212 F1223 I1558 | I1167-I1221 HydrophobicContact CG2-CG2 4.02Å; D1168-I1221 VanDerWaalsContact O-CA 3.31Å; D1168-I1221 WeakPolarHBondContact O-CA 3.33Å; M1169-I1221 HydrophobicContact CG-CG1 4.35Å; I1209-I1221 VanDerWaalsContact CA-O 3.29Å; I1209-I1221 WeakPolarHBondContact CA-O 3.46Å; I1209-I1221 WeakPolarHBondContact CG2-O 3.06Å; F1210-I1221 HydrophobicContact CD2-CB 4.4Å; F1210-I1221 HydrophobicContact CE2-CB 4.18Å; F1210-I1221 HydrophobicContact CE2-CD1 4.11Å; F1210-I1221 HydrophobicContact CE2-CG2 4.42Å; F1210-I1221 HydrophobicContact CZ-CB 4.47Å; F1210-I1221 HydrophobicContact CZ-CG2 4.27Å; F1210-I1221 PolarHBondContact N-O 3.19Å; F1210-I1221 PolarHBondContact O-N 2.84Å; I1212-I1221 HydrophobicContact CB-CD1 4.49Å; I1212-I1221 HydrophobicContact CD1-CD1 3.88Å; I1212-I1221 HydrophobicContact CG1-CD1 3.9Å; I1212-I1221 HydrophobicContact CG1-CG1 4.39Å; I1212-I1221 HydrophobicContact CG2-CD1 3.8Å; I1221-F1223 HydrophobicContact CG2-CE2 4.14Å; I1221-I1558 HydrophobicContact CD1-CB 4.36Å; I1221-I1558 HydrophobicContact CD1-CD1 3.57Å; I1221-I1558 HydrophobicContact CD1-CG1 3.44Å; I1221-I1558 VanDerWaalsContact CD1-CG1 3.44Å; I1221-I1558 HydrophobicContact CD1-CG2 4.16Å; I1221-I1558 HydrophobicContact CG2-CG2 4.28Å |
| 1222 | R | 90.2 | Very high | 79.3 | Confident | 133 Ų | 133 | 39.1 Ų | 39.1 | 50% | 0.502 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.7 | 176.6 | -172.7 | -179.3 | -172.9 | -165.3 | 0.9 | 109.3 | D1168 I1209 | D1168-R1222 WeakPolarHBondContact CA-O 3.16Å; D1168-R1222 HydrophobicContact CB-CB 4.34Å; D1168-R1222 VanDerWaalsContact CB-O 3.3Å; D1168-R1222 WeakPolarHBondContact CB-O 3.37Å; D1168-R1222 PolarHBondContact N-O 2.79Å; D1168-R1222 PolarHBondContact O-N 2.95Å; I1209-R1222 HydrophobicContact CD1-CB 4.49Å; I1209-R1222 HydrophobicContact CD1-CG 4.31Å; I1209-R1222 HydrophobicContact CG1-CB 4.13Å; I1209-R1222 HydrophobicContact CG1-CG 4.08Å |
| 1223 | F | 89.3 | Confident | 77 | Confident | 26 Ų | 26 | 49 Ų | 49 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.9 | 170.4 | -68.3 | -95.3 | 0 | 0 | 0 | 109.2 | Y1166 I1167 L1198 I1207 F1210 I1221 I1558 L1562 | Y1166-F1223 WeakPolarHBondContact O-CA 3.23Å; I1167-F1223 HydrophobicContact CD1-CE1 4.43Å; I1167-F1223 HydrophobicContact CG1-CD1 4.3Å; I1167-F1223 HydrophobicContact CG1-CE1 3.8Å; L1198-F1223 HydrophobicContact CD1-CD1 4.44Å; L1198-F1223 HydrophobicContact CD1-CE1 3.75Å; L1198-F1223 HydrophobicContact CG-CE1 4.44Å; I1207-F1223 HydrophobicContact CB-CD2 4.3Å; I1207-F1223 HydrophobicContact CD1-CB 4.42Å; I1207-F1223 HydrophobicContact CD1-CD2 4.13Å; I1207-F1223 HydrophobicContact CD1-CG 4.16Å; I1207-F1223 HydrophobicContact CG2-CD2 3.78Å; I1207-F1223 HydrophobicContact CG2-CE2 4.05Å; F1210-F1223 AromaticContact CE1-CE2 3.9Å; F1210-F1223 HydrophobicContact CE1-CE2 3.9Å; F1210-F1223 HydrophobicContact CZ-CE2 4.11Å; I1221-F1223 HydrophobicContact CG2-CE2 4.14Å; F1223-I1558 HydrophobicContact CZ-CG2 3.95Å; F1223-L1562 HydrophobicContact CE1-CD2 4.08Å; F1223-L1562 HydrophobicContact CE2-CD1 4.3Å; F1223-L1562 HydrophobicContact CZ-CB 4.39Å; F1223-L1562 HydrophobicContact CZ-CD1 4.24Å; F1223-L1562 HydrophobicContact CZ-CD2 3.95Å; F1223-L1562 HydrophobicContact CZ-CG 4.43Å |
| 1224 | I | 85.9 | Confident | 74.5 | Confident | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.3 | 178.7 | -59.6 | 179.4 | 0 | 0 | 0 | 108.4 | Y1165 Y1166 D1168 L1226 | Y1165-I1224 CarbonylContact C-O 3.49Å; Y1165-I1224 WeakPolarHBondContact CA-O 3.43Å; Y1166-I1224 PolarHBondContact N-O 2.7Å; Y1166-I1224 PolarHBondContact O-N 2.85Å; D1168-I1224 HydrophobicContact CB-CD1 3.85Å; D1168-I1224 HydrophobicContact CB-CG1 4.24Å; D1168-I1224 WeakPolarHBondContact OD2-CD1 3.26Å; I1224-L1226 HydrophobicContact CG2-CD2 4.34Å; I1224-L1226 PolarHBondContact O-N 2.89Å |
| 1225 | E | 85.4 | Confident | 72 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 110.9 | 174.6 | -165.8 | 164.4 | 129.7 | 0 | 0 | 109.5 | Y1165 W1227 S1228 P1241 | Y1165-E1225 HydrophobicContact CD1-CB 3.95Å; Y1165-E1225 HydrophobicContact CD1-CG 4.24Å; Y1165-E1225 HydrophobicContact CE1-CB 3.67Å; Y1165-E1225 HydrophobicContact CE1-CG 3.71Å; Y1165-E1225 WeakPolarHBondContact CE1-OE2 3.49Å; Y1165-E1225 VanDerWaalsContact CZ-OE2 3.24Å; Y1165-E1225 PolarHBondContact OH-OE2 3.5Å; E1225-W1227 WeakPolarHBondContact CG-O 3.33Å; E1225-S1228 WeakPolarHBondContact OE1-CB 3.2Å; E1225-S1228 PolarHBondContact OE1-OG 2.91Å; E1225-P1241 HydrophobicContact CG-CB 4.34Å |
| 1226 | L | 83.9 | Confident | 70 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -39.3 | 175 | -66.2 | -172.9 | 0 | 0 | 0 | 111.8 | L1164 Y1166 I1224 P1241 I1242 A1291 C1296 | L1164-L1226 HydrophobicContact CD2-CB 4.27Å; L1164-L1226 HydrophobicContact CD2-CD1 4.16Å; L1164-L1226 HydrophobicContact CG-CB 4.33Å; L1164-L1226 HydrophobicContact CG-CD1 4.49Å; L1164-L1226 PolarHBondContact O-N 3.3Å; Y1166-L1226 HydrophobicContact CD2-CD1 4.5Å; Y1166-L1226 HydrophobicContact CG-CD1 4.46Å; I1224-L1226 HydrophobicContact CG2-CD2 4.34Å; I1224-L1226 PolarHBondContact O-N 2.89Å; L1226-P1241 CarbonylContact O-C 3.6Å; L1226-P1241 VanDerWaalsContact O-CA 3.25Å; L1226-P1241 WeakPolarHBondContact O-CA 3.43Å; L1226-I1242 PolarHBondContact O-N 2.86Å; L1226-A1291 HydrophobicContact CD1-CB 4.42Å; L1226-C1296 HydrophobicContact CD2-CB 4.11Å |
| 1227 | W | 84.3 | Confident | 67.9 | Low | 9 Ų | 9 | 74.1 Ų | 74.1 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.4 | 178.9 | -59 | -14.7 | 0 | 0 | 0 | 111.5 | Y1163 L1164 L1199 E1225 I1242 P1245 L1247 C1296 I1298 | Y1163-W1227 WeakPolarHBondContact CA-O 3.42Å; L1164-W1227 HydrophobicContact CB-CB 3.77Å; L1164-W1227 HydrophobicContact CB-CD2 3.63Å; L1164-W1227 HydrophobicContact CB-CE3 3.68Å; L1164-W1227 HydrophobicContact CB-CG 3.68Å; L1164-W1227 HydrophobicContact CD2-CD2 3.66Å; L1164-W1227 HydrophobicContact CD2-CE3 4.03Å; L1164-W1227 HydrophobicContact CD2-CG 4.11Å; L1164-W1227 HydrophobicContact CD2-CH2 4.3Å; L1164-W1227 HydrophobicContact CD2-CZ2 3.93Å; L1164-W1227 HydrophobicContact CD2-CZ3 4.34Å; L1164-W1227 HydrophobicContact CG-CD2 4.3Å; L1164-W1227 HydrophobicContact CG-CE3 4.46Å; L1164-W1227 PolarHBondContact N-O 2.9Å; L1164-W1227 PolarHBondContact O-N 3.29Å; L1199-W1227 HydrophobicContact CD1-CE3 4.15Å; L1199-W1227 HydrophobicContact CD1-CZ3 3.97Å; E1225-W1227 WeakPolarHBondContact CG-O 3.33Å; W1227-I1242 VanDerWaalsContact CA-O 3.25Å; W1227-I1242 WeakPolarHBondContact CA-O 3.44Å; W1227-P1245 HydrophobicContact CD2-CG 4.36Å; W1227-P1245 HydrophobicContact CE3-CG 4.32Å; W1227-P1245 HydrophobicContact CH2-CG 3.54Å; W1227-P1245 HydrophobicContact CZ2-CG 3.59Å; W1227-P1245 HydrophobicContact CZ3-CG 3.93Å; W1227-L1247 HydrophobicContact CZ3-CD1 4.49Å; W1227-C1296 PolarHBondContact NE1-O 3.01Å; W1227-C1296 VanDerWaalsContact NE1-O 3.09Å; W1227-I1298 HydrophobicContact CH2-CB 4.47Å; W1227-I1298 HydrophobicContact CH2-CD1 3.55Å; W1227-I1298 HydrophobicContact CH2-CG1 3.71Å; W1227-I1298 HydrophobicContact CZ2-CD1 4.36Å; W1227-I1298 HydrophobicContact CZ2-CG1 4.01Å; W1227-I1298 HydrophobicContact CZ3-CD1 4.01Å; W1227-I1298 HydrophobicContact CZ3-CG1 4.46Å |
| 1228 | S | 78.1 | Confident | 66.5 | Low | 13 Ų | 13 | 82.9 Ų | 82.9 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.2 | 175.5 | -152.9 | 0 | 0 | 0 | 0 | 111 | E1225 K1230 I1242 Q1243 S1244 | E1225-S1228 WeakPolarHBondContact OE1-CB 3.2Å; E1225-S1228 PolarHBondContact OE1-OG 2.91Å; S1228-K1230 VanDerWaalsContact C-N 3.28Å; S1228-K1230 PolarHBondContact O-N 3.14Å; S1228-I1242 PolarHBondContact N-O 3.23Å; S1228-I1242 VanDerWaalsContact N-O 3.07Å; S1228-Q1243 WeakPolarHBondContact O-CA 3.39Å; S1228-S1244 PolarHBondContact O-N 2.76Å |
| 1229 | P | 70.5 | Confident | 64.7 | Low | 29 Ų | 29 | 87.3 Ų | 87.3 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -78.2 | -11.3 | 175.1 | 33.3 | -36.2 | 0 | 0 | 0 | 113 | S1160 Y1163 | S1160-P1229 WeakPolarHBondContact O-CB 3.41Å; Y1163-P1229 HydrophobicContact CD1-CG 4.49Å; Y1163-P1229 HydrophobicContact CD2-CG 4.36Å; Y1163-P1229 HydrophobicContact CE1-CG 3.85Å; Y1163-P1229 HydrophobicContact CE2-CG 3.68Å; Y1163-P1229 VanDerWaalsContact CZ-CD 3.41Å; Y1163-P1229 WeakPolarHBondContact OH-CG 3.36Å |
| 1230 | K | 62.8 | Low | 63.1 | Low | 162 Ų | 162 | 92.8 Ų | 92.8 | 70% | 0.704 | 44% | 0.439 | S | S | * | . | trans | -100.9 | 99.5 | -178.9 | -68 | 176.1 | -173.9 | 165.8 | 0 | 111.2 | S1228 | S1228-K1230 VanDerWaalsContact C-N 3.28Å; S1228-K1230 PolarHBondContact O-N 3.14Å | ||
| 1231 | S | 45.7 | Very low | 61.6 | Low | 77 Ų | 77 | 94.1 Ų | 94.1 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | trans | -68.4 | 141.4 | 162.2 | 55 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1232 | N | 37.4 | Very low | 60.5 | Low | 132 Ų | 132 | 98.1 Ų | 98.1 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | trans | 96.6 | 79.9 | -179 | -55.8 | -79.7 | 0 | 0 | 0 | 117.8 | ||||
| 1233 | Y | 41.5 | Very low | 59.4 | Low | 207 Ų | 207 | 97.2 Ų | 97.2 | 81% | 0.812 | 47% | 0.473 | S | S | * | . | trans | -138.5 | 128.1 | 136.3 | -95 | -81.3 | 0 | 0 | 0 | 110 | ||||
| 1234 | Q | 32 | Very low | 58.6 | Low | 185 Ų | 185 | 96.2 Ų | 96.2 | 86% | 0.864 | 47% | 0.469 | S | S | * | . | trans | -100.8 | 108.5 | 169 | -72 | 178.5 | -61 | 0 | 0 | 108.3 | ||||
| 1235 | F | 31.4 | Very low | 58 | Low | 179 Ų | 179 | 97.5 Ų | 97.5 | 79% | 0.785 | 48% | 0.479 | S | S | * | . | trans | -163 | 162.3 | 150.1 | -107 | -66.3 | 0 | 0 | 0 | 110.5 | D1237 | F1235-D1237 PolarHBondContact O-N 3.21Š| ||
| 1236 | N | 33 | Very low | 57.6 | Low | 148 Ų | 148 | 99.6 Ų | 99.6 | 79% | 0.791 | 49% | 0.491 | S | S | * | . | trans | -75.6 | 111.1 | -163.8 | -62.2 | -10.3 | 0 | 0 | 0 | 113.7 | ||||
| 1237 | D | 36 | Very low | 57.5 | Low | 107 Ų | 107 | 99.6 Ų | 99.6 | 57% | 0.572 | 49% | 0.491 | S | S | * | . | trans | -146.9 | 159.3 | 140.9 | -95.9 | -48 | 0 | 0 | 0 | 108 | F1235 Y1239 N1590 | F1235-D1237 PolarHBondContact O-N 3.21Å; D1237-Y1239 PolarHBondContact O-N 3.23Å; D1237-N1590 PolarHBondContact OD2-ND2 3.01Å | ||
| 1238 | Q | 50.2 | Low | 57.6 | Low | 183 Ų | 183 | 101.9 Ų | 101.9 | 86% | 0.855 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -69.6 | -4.4 | -164.2 | -77.8 | -180 | -37.5 | 0 | 0 | 116.5 | ||
| 1239 | Y | 50.7 | Low | 57.8 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | trans | -131.6 | 102.9 | -177.9 | -64 | -87.9 | 0 | 0 | 0 | 109.8 | D1237 | D1237-Y1239 PolarHBondContact O-N 3.23Š| ||
| 1240 | L | 55.8 | Low | 58.5 | Low | 122 Ų | 122 | 109.3 Ų | 109.3 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 128.9 | 168 | -78.4 | 166.5 | 0 | 0 | 0 | 108.8 | I1242 | L1240-I1242 PolarHBondContact O-N 2.91Š|
| 1241 | P | 59.1 | Low | 59.7 | Low | 57 Ų | 57 | 104.2 Ų | 104.2 | 37% | 0.37 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 132.7 | 177.9 | 26.1 | -33.2 | 0 | 0 | 0 | 110.6 | E1225 L1226 | E1225-P1241 HydrophobicContact CG-CB 4.34Å; L1226-P1241 CarbonylContact O-C 3.6Å; L1226-P1241 VanDerWaalsContact O-CA 3.25Å; L1226-P1241 WeakPolarHBondContact O-CA 3.43Å |
| 1242 | I | 68.5 | Low | 61.6 | Low | 85 Ų | 85 | 100.9 Ų | 100.9 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 143.3 | 179.7 | -57.1 | 178.1 | 0 | 0 | 0 | 108.6 | L1226 W1227 S1228 L1240 S1244 C1296 | L1226-I1242 PolarHBondContact O-N 2.86Å; W1227-I1242 VanDerWaalsContact CA-O 3.25Å; W1227-I1242 WeakPolarHBondContact CA-O 3.44Å; S1228-I1242 PolarHBondContact N-O 3.23Å; S1228-I1242 VanDerWaalsContact N-O 3.07Å; L1240-I1242 PolarHBondContact O-N 2.91Å; I1242-S1244 PolarHBondContact O-N 3.25Å; I1242-C1296 HydrophobicContact CD1-CB 3.74Å; I1242-C1296 HydrophobicContact CG1-CB 4.46Å |
| 1243 | Q | 66.4 | Low | 63.8 | Low | 113 Ų | 113 | 97.6 Ų | 97.6 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 126.7 | 174 | -175 | 173.2 | -6.5 | 0 | 0 | 109.6 | S1228 | S1228-Q1243 WeakPolarHBondContact O-CA 3.39Å |
| 1244 | S | 72 | Confident | 66.1 | Low | 5 Ų | 5 | 91.6 Ų | 91.6 | 4% | 0.035 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.3 | -169.6 | 34.1 | 0 | 0 | 0 | 0 | 112.5 | S1160 N1162 S1228 I1242 | S1160-S1244 VanDerWaalsContact CB-O 3.32Å; S1160-S1244 WeakPolarHBondContact CB-O 3.42Å; S1160-S1244 WeakPolarHBondContact CB-OG 3.37Å; N1162-S1244 WeakPolarHBondContact O-CB 2.98Å; N1162-S1244 PolarHBondContact O-OG 3.25Å; S1228-S1244 PolarHBondContact O-N 2.76Å; I1242-S1244 PolarHBondContact O-N 3.25Å |
| 1245 | P | 73.8 | Confident | 68.8 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 150.2 | -179.7 | 28.7 | -34.8 | 0 | 0 | 0 | 111.1 | W1227 L1247 | W1227-P1245 HydrophobicContact CD2-CG 4.36Å; W1227-P1245 HydrophobicContact CE3-CG 4.32Å; W1227-P1245 HydrophobicContact CH2-CG 3.54Å; W1227-P1245 HydrophobicContact CZ2-CG 3.59Å; W1227-P1245 HydrophobicContact CZ3-CG 3.93Å; P1245-L1247 PolarHBondContact O-N 2.72Å |
| 1246 | I | 77.4 | Confident | 71.5 | Confident | 104 Ų | 104 | 76.1 Ų | 76.1 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 117 | 174.8 | -55.9 | 175.5 | 0 | 0 | 0 | 108.1 | ||
| 1247 | L | 82.1 | Confident | 74.1 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 129.3 | 175.1 | -65.6 | 174.2 | 0 | 0 | 0 | 110.1 | N1157 L1199 W1227 P1245 Q1251 I1252 L1255 W1300 | N1157-L1247 PolarHBondContact N-O 3.46Å; N1157-L1247 VanDerWaalsContact N-O 3.14Å; L1199-L1247 HydrophobicContact CD2-CD1 3.86Å; W1227-L1247 HydrophobicContact CZ3-CD1 4.49Å; P1245-L1247 PolarHBondContact O-N 2.72Å; L1247-Q1251 HydrophobicContact CD2-CB 4.43Å; L1247-I1252 HydrophobicContact CB-CD1 4.33Å; L1247-I1252 HydrophobicContact CB-CG1 4.08Å; L1247-L1255 HydrophobicContact CD1-CD1 4.47Å; L1247-W1300 HydrophobicContact CD2-CH2 4.31Å; L1247-W1300 HydrophobicContact CD2-CZ2 3.95Å |
| 1248 | T | 84.6 | Confident | 76.7 | Confident | 58 Ų | 58 | 70 Ų | 70 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 158.9 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | E1250 Q1251 I1252 | T1248-E1250 PolarHBondContact O-N 3.27Å; T1248-Q1251 WeakPolarHBondContact O-CB 3.23Å; T1248-Q1251 PolarHBondContact O-N 3Å; T1248-Q1251 VanDerWaalsContact O-N 3.11Å; T1248-Q1251 WeakPolarHBondContact OG1-CG 3.33Å; T1248-Q1251 PolarHBondContact OG1-N 2.86Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.31Å; T1248-I1252 PolarHBondContact O-N 2.83Å |
| 1249 | Q | 83.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.2 | -42.1 | 173.4 | -176.9 | 62.5 | 47.7 | 0 | 0 | 111.6 | P1156 Q1251 I1252 D1253 | P1156-Q1249 HydrophobicContact CB-CB 4.14Å; Q1249-Q1251 VanDerWaalsContact C-N 3.31Å; Q1249-Q1251 PolarHBondContact O-N 3.21Å; Q1249-I1252 PolarHBondContact O-N 3.13Å; Q1249-I1252 VanDerWaalsContact O-N 3.14Å; Q1249-D1253 PolarHBondContact NE2-OD1 3.12Å; Q1249-D1253 PolarHBondContact O-N 2.84Å |
| 1250 | E | 85.2 | Confident | 80.4 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | -180 | -157.5 | -156.6 | 143.8 | 0 | 0 | 112.5 | T1248 R1254 | T1248-E1250 PolarHBondContact O-N 3.27Å; E1250-R1254 VanDerWaalsContact O-CG 3.28Å; E1250-R1254 WeakPolarHBondContact O-CG 3.37Å; E1250-R1254 PolarHBondContact O-N 3.39Å; E1250-R1254 IonicContact OE1-CZ 3.48Å; E1250-R1254 IonicContact OE1-NE 2.91Å; E1250-R1254 PolarHBondContact OE1-NE 2.86Å; E1250-R1254 VanDerWaalsContact OE1-NE 3.16Å; E1250-R1254 IonicContact OE1-NH2 2.73Å; E1250-R1254 PolarHBondContact OE1-NH2 3.04Å |
| 1251 | Q | 86.9 | Confident | 81.8 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 172.2 | -79.6 | 171.9 | -28.8 | 0 | 0 | 111.5 | L1247 T1248 Q1249 D1253 R1254 L1255 W1300 | L1247-Q1251 HydrophobicContact CD2-CB 4.43Å; T1248-Q1251 WeakPolarHBondContact O-CB 3.23Å; T1248-Q1251 PolarHBondContact O-N 3Å; T1248-Q1251 VanDerWaalsContact O-N 3.11Å; T1248-Q1251 WeakPolarHBondContact OG1-CG 3.33Å; T1248-Q1251 PolarHBondContact OG1-N 2.86Å; Q1249-Q1251 VanDerWaalsContact C-N 3.31Å; Q1249-Q1251 PolarHBondContact O-N 3.21Å; Q1251-D1253 VanDerWaalsContact C-N 3.35Å; Q1251-D1253 PolarHBondContact O-N 3.01Å; Q1251-R1254 PolarHBondContact O-N 3.18Å; Q1251-L1255 WeakPolarHBondContact O-CG 3.37Å; Q1251-L1255 PolarHBondContact O-N 2.73Å; Q1251-W1300 HydrophobicContact CB-CH2 3.65Å; Q1251-W1300 HydrophobicContact CB-CZ2 4.32Å; Q1251-W1300 HydrophobicContact CB-CZ3 4.19Å; Q1251-W1300 HydrophobicContact CG-CH2 3.81Å; Q1251-W1300 HydrophobicContact CG-CZ2 4.16Å; Q1251-W1300 HydrophobicContact CG-CZ3 4.17Å |
| 1252 | I | 85.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.4 | -64.9 | 168.6 | 0 | 0 | 0 | 110.4 | P1154 P1156 L1247 T1248 Q1249 R1254 L1255 I1256 | P1154-I1252 HydrophobicContact CG-CG2 4.37Å; P1156-I1252 HydrophobicContact CB-CD1 4.19Å; L1247-I1252 HydrophobicContact CB-CD1 4.33Å; L1247-I1252 HydrophobicContact CB-CG1 4.08Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.31Å; T1248-I1252 PolarHBondContact O-N 2.83Å; Q1249-I1252 PolarHBondContact O-N 3.13Å; Q1249-I1252 VanDerWaalsContact O-N 3.14Å; I1252-R1254 PolarHBondContact O-N 2.7Å; I1252-L1255 PolarHBondContact O-N 3.38Å; I1252-L1255 VanDerWaalsContact O-N 3.15Å; I1252-I1256 HydrophobicContact CG2-CD1 3.77Å; I1252-I1256 HydrophobicContact CG2-CG1 4.38Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.44Å; I1252-I1256 PolarHBondContact O-N 3.43Å |
| 1253 | D | 85.6 | Confident | 84 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 177 | -65.7 | -19.4 | 0 | 0 | 0 | 112.4 | Q1249 Q1251 K1257 | Q1249-D1253 PolarHBondContact NE2-OD1 3.12Å; Q1249-D1253 PolarHBondContact O-N 2.84Å; Q1251-D1253 VanDerWaalsContact C-N 3.35Å; Q1251-D1253 PolarHBondContact O-N 3.01Å; D1253-K1257 WeakPolarHBondContact O-CB 3.22Å; D1253-K1257 VanDerWaalsContact O-CG 3.28Å; D1253-K1257 WeakPolarHBondContact O-CG 3.02Å; D1253-K1257 PolarHBondContact O-N 2.93Å |
| 1254 | R | 88.4 | Confident | 84.8 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 172.9 | -72.4 | 173.4 | -170.6 | -144 | 12.4 | 111.6 | E1250 Q1251 I1252 K1257 F1258 I1303 N1304 L1307 | E1250-R1254 VanDerWaalsContact O-CG 3.28Å; E1250-R1254 WeakPolarHBondContact O-CG 3.37Å; E1250-R1254 PolarHBondContact O-N 3.39Å; E1250-R1254 IonicContact OE1-CZ 3.48Å; E1250-R1254 IonicContact OE1-NE 2.91Å; E1250-R1254 PolarHBondContact OE1-NE 2.86Å; E1250-R1254 VanDerWaalsContact OE1-NE 3.16Å; E1250-R1254 IonicContact OE1-NH2 2.73Å; E1250-R1254 PolarHBondContact OE1-NH2 3.04Å; Q1251-R1254 PolarHBondContact O-N 3.18Å; I1252-R1254 PolarHBondContact O-N 2.7Å; R1254-K1257 PolarHBondContact O-N 2.88Å; R1254-F1258 PolarHBondContact O-N 2.94Å; R1254-I1303 HydrophobicContact CB-CG2 4.34Å; R1254-N1304 PolarHBondContact NH1-OD1 3.1Å; R1254-L1307 HydrophobicContact CB-CD1 4.05Å; R1254-L1307 HydrophobicContact CG-CD1 4.07Å |
| 1255 | L | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 176.3 | -66.7 | 172.2 | 0 | 0 | 0 | 112.2 | L1199 L1247 Q1251 I1252 K1257 F1258 H1259 L1287 V1289 I1298 W1300 I1303 | L1199-L1255 HydrophobicContact CD2-CD1 4.02Å; L1247-L1255 HydrophobicContact CD1-CD1 4.47Å; Q1251-L1255 WeakPolarHBondContact O-CG 3.37Å; Q1251-L1255 PolarHBondContact O-N 2.73Å; I1252-L1255 PolarHBondContact O-N 3.38Å; I1252-L1255 VanDerWaalsContact O-N 3.15Å; L1255-K1257 VanDerWaalsContact C-N 3.32Å; L1255-K1257 PolarHBondContact O-N 2.8Å; L1255-F1258 PolarHBondContact O-N 3.11Å; L1255-H1259 VanDerWaalsContact O-CB 3.25Å; L1255-H1259 WeakPolarHBondContact O-CB 3.39Å; L1255-H1259 PolarHBondContact O-N 2.93Å; L1255-L1287 HydrophobicContact CB-CD1 4.25Å; L1255-V1289 HydrophobicContact CB-CG1 4.44Å; L1255-V1289 HydrophobicContact CD1-CG1 4.37Å; L1255-V1289 HydrophobicContact CD2-CB 4.14Å; L1255-V1289 HydrophobicContact CD2-CG1 3.78Å; L1255-V1289 HydrophobicContact CG-CG1 4.42Å; L1255-I1298 HydrophobicContact CD1-CD1 4.02Å; L1255-I1298 HydrophobicContact CD2-CD1 4.19Å; L1255-I1298 HydrophobicContact CD2-CG2 4Å; L1255-W1300 HydrophobicContact CD1-CH2 3.88Å; L1255-W1300 HydrophobicContact CD2-CH2 4.01Å; L1255-W1300 HydrophobicContact CD2-CZ3 3.99Å; L1255-W1300 HydrophobicContact CG-CH2 3.86Å; L1255-W1300 HydrophobicContact CG-CZ3 4.02Å; L1255-I1303 HydrophobicContact CD2-CD1 3.51Å |
| 1256 | I | 87.8 | Confident | 85.3 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 174.7 | -70.7 | 168.3 | 0 | 0 | 0 | 110.7 | I1252 H1259 R1260 F1277 L1287 | I1252-I1256 HydrophobicContact CG2-CD1 3.77Å; I1252-I1256 HydrophobicContact CG2-CG1 4.38Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.44Å; I1252-I1256 PolarHBondContact O-N 3.43Å; I1256-H1259 PolarHBondContact O-N 2.72Å; I1256-R1260 PolarHBondContact O-N 3.23Å; I1256-F1277 HydrophobicContact CG2-CE1 3.81Å; I1256-F1277 HydrophobicContact CG2-CZ 3.97Å; I1256-L1287 HydrophobicContact CG1-CD1 4.21Å; I1256-L1287 HydrophobicContact CG1-CD2 3.98Å |
| 1257 | K | 87.5 | Confident | 85.5 | Confident | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.548 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 175.3 | -73.9 | 170.4 | -178 | 174.9 | 0 | 112.6 | D1253 R1254 L1255 H1259 R1260 I1261 L1307 | D1253-K1257 WeakPolarHBondContact O-CB 3.22Å; D1253-K1257 VanDerWaalsContact O-CG 3.28Å; D1253-K1257 WeakPolarHBondContact O-CG 3.02Å; D1253-K1257 PolarHBondContact O-N 2.93Å; R1254-K1257 PolarHBondContact O-N 2.88Å; L1255-K1257 VanDerWaalsContact C-N 3.32Å; L1255-K1257 PolarHBondContact O-N 2.8Å; K1257-H1259 VanDerWaalsContact C-N 3.33Å; K1257-H1259 PolarHBondContact O-N 2.91Å; K1257-R1260 PolarHBondContact O-N 3.47Å; K1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; K1257-I1261 PolarHBondContact O-N 2.74Å; K1257-L1307 HydrophobicContact CB-CD2 3.69Å; K1257-L1307 HydrophobicContact CD-CD2 4.49Å |
| 1258 | F | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 175.5 | 175.6 | -85.5 | 0 | 0 | 0 | 111.4 | F1196 R1254 L1255 R1260 I1261 L1262 P1290 F1302 I1303 V1306 F1544 | F1196-F1258 HydrophobicContact CE1-CE1 4.25Å; F1196-F1258 HydrophobicContact CE1-CZ 4.21Å; R1254-F1258 PolarHBondContact O-N 2.94Å; L1255-F1258 PolarHBondContact O-N 3.11Å; F1258-R1260 PolarHBondContact O-N 3.4Å; F1258-I1261 PolarHBondContact O-N 2.77Å; F1258-L1262 HydrophobicContact CE1-CD2 4.45Å; F1258-L1262 PolarHBondContact O-N 3.16Å; F1258-P1290 HydrophobicContact CD1-CG 4.32Å; F1258-P1290 HydrophobicContact CD2-CG 4.42Å; F1258-P1290 HydrophobicContact CE1-CB 4.34Å; F1258-P1290 HydrophobicContact CE1-CG 3.95Å; F1258-P1290 HydrophobicContact CE2-CG 4.04Å; F1258-P1290 HydrophobicContact CZ-CB 4Å; F1258-P1290 HydrophobicContact CZ-CG 3.8Å; F1258-F1302 HydrophobicContact CE2-CD1 4.03Å; F1258-F1302 AromaticContact CE2-CE1 3.71Å; F1258-F1302 HydrophobicContact CE2-CE1 3.71Å; F1258-F1302 HydrophobicContact CZ-CD1 4.37Å; F1258-F1302 AromaticContact CZ-CE1 3.91Å; F1258-F1302 HydrophobicContact CZ-CE1 3.91Å; F1258-I1303 HydrophobicContact CB-CG2 4.48Å; F1258-I1303 HydrophobicContact CD2-CG1 4.12Å; F1258-I1303 HydrophobicContact CG-CG1 4.29Å; F1258-V1306 HydrophobicContact CD2-CB 4.36Å; F1258-V1306 HydrophobicContact CD2-CG1 4.21Å; F1258-V1306 HydrophobicContact CE2-CB 4.46Å; F1258-V1306 HydrophobicContact CE2-CG1 4.42Å; F1258-V1306 HydrophobicContact CE2-CG2 4.27Å; F1258-F1544 AromaticContact CE2-CZ 3.9Å; F1258-F1544 HydrophobicContact CE2-CZ 3.9Å; F1258-F1544 HydrophobicContact CZ-CE1 4.35Å; F1258-F1544 AromaticContact CZ-CZ 3.95Å; F1258-F1544 HydrophobicContact CZ-CZ 3.95Å |
| 1259 | H | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.8 | -176 | 90.1 | 0 | 0 | 0 | 111.6 | L1255 I1256 K1257 L1262 F1263 F1277 V1286 L1287 V1288 P2038 | L1255-H1259 VanDerWaalsContact O-CB 3.25Å; L1255-H1259 WeakPolarHBondContact O-CB 3.39Å; L1255-H1259 PolarHBondContact O-N 2.93Å; I1256-H1259 PolarHBondContact O-N 2.72Å; K1257-H1259 VanDerWaalsContact C-N 3.33Å; K1257-H1259 PolarHBondContact O-N 2.91Å; H1259-L1262 WeakPolarHBondContact O-CB 3.47Å; H1259-L1262 PolarHBondContact O-N 2.73Å; H1259-F1263 AromaticContact ND1-CE2 3.95Å; H1259-F1263 AromaticContact NE2-CE2 3.4Å; H1259-F1263 WeakPolarHBondContact NE2-CE2 3.47Å; H1259-F1263 WeakPolarHBondContact O-CD2 3.5Å; H1259-F1263 PolarHBondContact O-N 2.78Å; H1259-F1277 AromaticContact CD2-CE2 3.89Å; H1259-V1286 PolarHBondContact NE2-O 2.99Å; H1259-V1286 VanDerWaalsContact NE2-O 3.13Å; H1259-L1287 HydrophobicContact CB-CD2 3.95Å; H1259-L1287 VanDerWaalsContact CE1-C 3.48Å; H1259-V1288 WeakPolarHBondContact CE1-CA 3.49Å; H1259-V1288 WeakPolarHBondContact CE1-CB 3.08Å; H1259-V1288 PolarHBondContact CE1-N 3.45Å; H1259-V1288 PolarHBondContact CE1-O 3.23Å; H1259-V1288 PolarHBondContact ND1-N 2.92Å; H1259-V1288 PolarHBondContact ND1-O 3.12Å; H1259-V1288 WeakPolarHBondContact NE2-CB 3.32Å; H1259-V1288 WeakPolarHBondContact NE2-CG2 3.37Å; H1259-V1288 PolarHBondContact NE2-N 3.34Å; H1259-P2038 WeakPolarHBondContact NE2-CB 3.45Å |
| 1260 | R | 87.4 | Confident | 84.1 | Confident | 98 Ų | 98 | 39.5 Ų | 39.5 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.6 | -172.7 | -178.6 | 176.8 | 171 | 0.9 | 111.8 | I1256 K1257 F1258 L1262 F1263 Q1264 E1270 F1277 | I1256-R1260 PolarHBondContact O-N 3.23Å; K1257-R1260 PolarHBondContact O-N 3.47Å; F1258-R1260 PolarHBondContact O-N 3.4Å; R1260-L1262 PolarHBondContact O-N 2.86Å; R1260-F1263 PolarHBondContact O-N 2.91Å; R1260-F1263 VanDerWaalsContact O-N 3.17Å; R1260-Q1264 HydrophobicContact CG-CB 4.42Å; R1260-Q1264 WeakPolarHBondContact O-CB 3.38Å; R1260-Q1264 PolarHBondContact O-N 3.41Å; R1260-E1270 IonicContact CZ-OE1 3.33Å; R1260-E1270 IonicContact CZ-OE2 3.16Å; R1260-E1270 IonicContact NE-OE1 3.95Å; R1260-E1270 PolarHBondContact NE-OE1 2.95Å; R1260-E1270 IonicContact NE-OE2 3.5Å; R1260-E1270 PolarHBondContact NE-OE2 3.29Å; R1260-E1270 IonicContact NH2-OE1 2.7Å; R1260-E1270 IonicContact NH2-OE2 2.67Å; R1260-E1270 PolarHBondContact NH2-OE2 2.92Å; R1260-F1277 HydrophobicContact CB-CD1 4.34Å; R1260-F1277 HydrophobicContact CB-CE1 4.12Å; R1260-F1277 HydrophobicContact CB-CE2 4.45Å; R1260-F1277 HydrophobicContact CB-CZ 4.17Å; R1260-F1277 HydrophobicContact CG-CD1 4.17Å; R1260-F1277 HydrophobicContact CG-CE1 4.45Å; R1260-F1277 HydrophobicContact CG-CG 4.19Å |
| 1261 | I | 85.8 | Confident | 82.8 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -38 | 178.8 | -69 | 165 | 0 | 0 | 0 | 111.5 | K1257 F1258 E1265 V1266 V1306 L1307 | K1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; K1257-I1261 PolarHBondContact O-N 2.74Å; F1258-I1261 PolarHBondContact O-N 2.77Å; I1261-E1265 HydrophobicContact CG2-CB 4.29Å; I1261-E1265 HydrophobicContact CG2-CG 4.22Å; I1261-E1265 WeakPolarHBondContact O-CB 3.19Å; I1261-E1265 PolarHBondContact O-N 3.13Å; I1261-V1266 PolarHBondContact O-N 3.06Å; I1261-V1306 HydrophobicContact CD1-CG1 4.35Å; I1261-V1306 HydrophobicContact CG2-CG1 4Å; I1261-L1307 HydrophobicContact CD1-CD2 3.86Å |
| 1262 | L | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -62.1 | -47.6 | 176.1 | -173.3 | 68.5 | 0 | 0 | 0 | 112.3 | F1196 F1258 H1259 R1260 V1266 L1267 V1288 F1544 A1552 | F1196-L1262 HydrophobicContact CD1-CD2 4.25Å; F1196-L1262 HydrophobicContact CE1-CD1 3.98Å; F1196-L1262 HydrophobicContact CE1-CD2 3.86Å; F1196-L1262 HydrophobicContact CZ-CD1 4.07Å; F1258-L1262 HydrophobicContact CE1-CD2 4.45Å; F1258-L1262 PolarHBondContact O-N 3.16Å; H1259-L1262 WeakPolarHBondContact O-CB 3.47Å; H1259-L1262 PolarHBondContact O-N 2.73Å; R1260-L1262 PolarHBondContact O-N 2.86Å; L1262-V1266 HydrophobicContact CD1-CB 4.4Å; L1262-V1266 HydrophobicContact CD1-CG1 4.37Å; L1262-V1266 WeakPolarHBondContact O-CB 3.29Å; L1262-L1267 WeakPolarHBondContact O-CG 3.42Å; L1262-L1267 PolarHBondContact O-N 2.79Å; L1262-V1288 HydrophobicContact CD2-CB 4.39Å; L1262-V1288 HydrophobicContact CD2-CG1 3.84Å; L1262-F1544 HydrophobicContact CD1-CE1 3.9Å; L1262-F1544 HydrophobicContact CD1-CZ 4.18Å; L1262-A1552 HydrophobicContact CD1-CB 4.04Å |
| 1263 | F | 86.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -80.3 | -25.4 | -179.6 | -73.7 | -81.7 | 0 | 0 | 0 | 113.5 | H1259 R1260 L1267 R1268 F1269 V1288 I1555 L1559 W2035 P2037 Y2040 | H1259-F1263 AromaticContact ND1-CE2 3.95Å; H1259-F1263 AromaticContact NE2-CE2 3.4Å; H1259-F1263 WeakPolarHBondContact NE2-CE2 3.47Å; H1259-F1263 WeakPolarHBondContact O-CD2 3.5Å; H1259-F1263 PolarHBondContact O-N 2.78Å; R1260-F1263 PolarHBondContact O-N 2.91Å; R1260-F1263 VanDerWaalsContact O-N 3.17Å; F1263-L1267 HydrophobicContact CD1-CD1 3.83Å; F1263-L1267 HydrophobicContact CE1-CD1 3.81Å; F1263-L1267 HydrophobicContact CG-CD1 4.49Å; F1263-L1267 HydrophobicContact CZ-CD1 4.45Å; F1263-R1268 PolarHBondContact O-N 2.82Å; F1263-F1269 HydrophobicContact CB-CD2 4.4Å; F1263-F1269 AromaticContact CD1-CD2 3.71Å; F1263-F1269 HydrophobicContact CD1-CD2 3.71Å; F1263-F1269 AromaticContact CD1-CE2 3.81Å; F1263-F1269 HydrophobicContact CD1-CE2 3.81Å; F1263-F1269 HydrophobicContact CE1-CE2 4.27Å; F1263-F1269 PolarHBondContact O-N 3.11Å; F1263-V1288 HydrophobicContact CE2-CB 4.38Å; F1263-V1288 HydrophobicContact CE2-CG2 4.16Å; F1263-V1288 HydrophobicContact CZ-CG2 4.25Å; F1263-I1555 HydrophobicContact CZ-CG2 4.09Å; F1263-L1559 HydrophobicContact CZ-CD1 4.23Å; F1263-W2035 HydrophobicContact CE1-CH2 4.36Å; F1263-W2035 HydrophobicContact CE1-CZ3 4.49Å; F1263-P2037 HydrophobicContact CD1-CB 3.59Å; F1263-P2037 HydrophobicContact CD1-CG 4.25Å; F1263-P2037 HydrophobicContact CE1-CB 3.77Å; F1263-P2037 HydrophobicContact CG-CB 4.28Å; F1263-Y2040 HydrophobicContact CB-CE2 3.7Å; F1263-Y2040 HydrophobicContact CG-CE2 4.34Å |
| 1264 | Q | 82.4 | Confident | 79 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -89.3 | -56.8 | -178.4 | -175.5 | 178.3 | 6.8 | 0 | 0 | 113.6 | R1260 R1268 E1270 | R1260-Q1264 HydrophobicContact CG-CB 4.42Å; R1260-Q1264 WeakPolarHBondContact O-CB 3.38Å; R1260-Q1264 PolarHBondContact O-N 3.41Å; Q1264-R1268 WeakPolarHBondContact O-CA 3Å; Q1264-E1270 HydrophobicContact CB-CB 4.41Å; Q1264-E1270 HydrophobicContact CG-CB 4.05Å; Q1264-E1270 PolarHBondContact NE2-OE2 3.05Å; Q1264-E1270 PolarHBondContact OE1-OE2 3.46Å |
| 1265 | E | 77.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -85.3 | -43.6 | -174.7 | -63.2 | -163.2 | -125.7 | 0 | 0 | 112.4 | I1261 S1310 K1313 | I1261-E1265 HydrophobicContact CG2-CB 4.29Å; I1261-E1265 HydrophobicContact CG2-CG 4.22Å; I1261-E1265 WeakPolarHBondContact O-CB 3.19Å; I1261-E1265 PolarHBondContact O-N 3.13Å; E1265-S1310 PolarHBondContact OE1-OG 3.07Å; E1265-K1313 IonicContact OE1-NZ 3.8Å; E1265-K1313 IonicContact OE2-NZ 2.86Å; E1265-K1313 PolarHBondContact OE2-NZ 3.21Å |
| 1266 | V | 79.8 | Confident | 77.6 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -83.3 | -52.7 | -173.7 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | I1261 L1262 F1544 W1549 A1552 | I1261-V1266 PolarHBondContact O-N 3.06Å; L1262-V1266 HydrophobicContact CD1-CB 4.4Å; L1262-V1266 HydrophobicContact CD1-CG1 4.37Å; L1262-V1266 WeakPolarHBondContact O-CB 3.29Å; V1266-F1544 HydrophobicContact CG2-CD1 4.42Å; V1266-F1544 HydrophobicContact CG2-CD2 4.29Å; V1266-F1544 HydrophobicContact CG2-CE1 4.26Å; V1266-F1544 HydrophobicContact CG2-CE2 4.1Å; V1266-F1544 HydrophobicContact CG2-CG 4.43Å; V1266-F1544 HydrophobicContact CG2-CZ 4.09Å; V1266-W1549 HydrophobicContact CB-CH2 4.07Å; V1266-W1549 HydrophobicContact CB-CZ2 4.4Å; V1266-W1549 HydrophobicContact CB-CZ3 4.34Å; V1266-W1549 HydrophobicContact CG1-CD2 4.06Å; V1266-W1549 HydrophobicContact CG1-CE3 4.15Å; V1266-W1549 HydrophobicContact CG1-CH2 3.83Å; V1266-W1549 HydrophobicContact CG1-CZ2 3.76Å; V1266-W1549 HydrophobicContact CG1-CZ3 4.04Å; V1266-W1549 HydrophobicContact CG2-CE3 4.41Å; V1266-W1549 HydrophobicContact CG2-CH2 3.97Å; V1266-W1549 HydrophobicContact CG2-CZ3 3.82Å; V1266-A1552 HydrophobicContact CG1-CB 4.32Å |
| 1267 | L | 81.5 | Confident | 77.4 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -95.3 | -15 | -176.9 | -58.8 | 172.9 | 0 | 0 | 0 | 114.7 | L1262 F1263 F1269 P1556 | L1262-L1267 WeakPolarHBondContact O-CG 3.42Å; L1262-L1267 PolarHBondContact O-N 2.79Å; F1263-L1267 HydrophobicContact CD1-CD1 3.83Å; F1263-L1267 HydrophobicContact CE1-CD1 3.81Å; F1263-L1267 HydrophobicContact CG-CD1 4.49Å; F1263-L1267 HydrophobicContact CZ-CD1 4.45Å; L1267-F1269 HydrophobicContact CB-CD2 3.75Å; L1267-F1269 HydrophobicContact CB-CE2 3.54Å; L1267-F1269 HydrophobicContact CD1-CE2 4.13Å; L1267-F1269 HydrophobicContact CG-CE2 4.42Å; L1267-F1269 PolarHBondContact O-N 2.73Å; L1267-P1556 HydrophobicContact CD1-CG 4.2Å |
| 1268 | R | 78.6 | Confident | 77.1 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | trans | 63.1 | 38.4 | 166.9 | -56.7 | 175.4 | 169.6 | -161.7 | -10.2 | 116.2 | F1263 Q1264 P1420 Y1422 | F1263-R1268 PolarHBondContact O-N 2.82Å; Q1264-R1268 WeakPolarHBondContact O-CA 3Å; R1268-P1420 VanDerWaalsContact CZ-O 3.24Å; R1268-P1420 PolarHBondContact NH1-O 2.74Å; R1268-P1420 PolarHBondContact NH2-O 2.91Å; R1268-Y1422 VanDerWaalsContact NH2-CD2 3.32Å | ||
| 1269 | F | 73.2 | Confident | 76.5 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -76.3 | -24.2 | 175.8 | -70.3 | -76.4 | 0 | 0 | 0 | 114.3 | F1263 L1267 K1271 L1475 P1556 P2031 H2032 W2035 P2037 | F1263-F1269 HydrophobicContact CB-CD2 4.4Å; F1263-F1269 AromaticContact CD1-CD2 3.71Å; F1263-F1269 HydrophobicContact CD1-CD2 3.71Å; F1263-F1269 AromaticContact CD1-CE2 3.81Å; F1263-F1269 HydrophobicContact CD1-CE2 3.81Å; F1263-F1269 HydrophobicContact CE1-CE2 4.27Å; F1263-F1269 PolarHBondContact O-N 3.11Å; L1267-F1269 HydrophobicContact CB-CD2 3.75Å; L1267-F1269 HydrophobicContact CB-CE2 3.54Å; L1267-F1269 HydrophobicContact CD1-CE2 4.13Å; L1267-F1269 HydrophobicContact CG-CE2 4.42Å; L1267-F1269 PolarHBondContact O-N 2.73Å; F1269-K1271 PolarHBondContact O-N 2.93Å; F1269-K1271 VanDerWaalsContact O-N 3.13Å; F1269-L1475 HydrophobicContact CZ-CD1 4.45Å; F1269-P1556 HydrophobicContact CE2-CG 4.22Å; F1269-P1556 HydrophobicContact CZ-CB 4.42Å; F1269-P1556 HydrophobicContact CZ-CG 4.02Å; F1269-P2031 HydrophobicContact CE1-CB 3.67Å; F1269-P2031 WeakPolarHBondContact CE1-O 3.32Å; F1269-P2031 HydrophobicContact CZ-CB 3.89Å; F1269-H2032 AromaticContact CD1-ND1 3.65Å; F1269-H2032 AromaticContact CE1-CE1 3.98Å; F1269-H2032 AromaticContact CE1-ND1 3.79Å; F1269-W2035 HydrophobicContact CE1-CE3 4.39Å; F1269-W2035 HydrophobicContact CE2-CZ3 4.39Å; F1269-W2035 HydrophobicContact CZ-CE3 4.26Å; F1269-W2035 AromaticContact CZ-CZ3 3.98Å; F1269-W2035 HydrophobicContact CZ-CZ3 3.98Å; F1269-P2037 HydrophobicContact CB-CG 4.17Å; F1269-P2037 HydrophobicContact CD1-CG 3.97Å; F1269-P2037 HydrophobicContact CD2-CG 3.96Å; F1269-P2037 HydrophobicContact CE1-CG 4.35Å; F1269-P2037 HydrophobicContact CE2-CG 4.3Å; F1269-P2037 HydrophobicContact CG-CG 3.76Å; F1269-P2037 HydrophobicContact CZ-CG 4.5Å | ||
| 1270 | E | 68 | Low | 75.9 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 31.4 | -171.9 | -151.1 | 172.8 | -82.6 | 0 | 0 | 113.5 | R1260 Q1264 Y2040 | R1260-E1270 IonicContact CZ-OE1 3.33Å; R1260-E1270 IonicContact CZ-OE2 3.16Å; R1260-E1270 IonicContact NE-OE1 3.95Å; R1260-E1270 PolarHBondContact NE-OE1 2.95Å; R1260-E1270 IonicContact NE-OE2 3.5Å; R1260-E1270 PolarHBondContact NE-OE2 3.29Å; R1260-E1270 IonicContact NH2-OE1 2.7Å; R1260-E1270 IonicContact NH2-OE2 2.67Å; R1260-E1270 PolarHBondContact NH2-OE2 2.92Å; Q1264-E1270 HydrophobicContact CB-CB 4.41Å; Q1264-E1270 HydrophobicContact CG-CB 4.05Å; Q1264-E1270 PolarHBondContact NE2-OE2 3.05Å; Q1264-E1270 PolarHBondContact OE1-OE2 3.46Å; E1270-Y2040 HydrophobicContact CB-CE1 4.45Å; E1270-Y2040 HydrophobicContact CG-CE1 4.12Å; E1270-Y2040 VanDerWaalsContact OE1-CE1 3.26Å; E1270-Y2040 WeakPolarHBondContact OE1-CE1 3.31Å; E1270-Y2040 PolarHBondContact OE1-OH 2.93Å |
| 1271 | K | 57.6 | Low | 75.3 | Confident | 98 Ų | 98 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -32.5 | 179.9 | -99.2 | -174.6 | 176.7 | 174.8 | 0 | 114.1 | F1269 | F1269-K1271 PolarHBondContact O-N 2.93Å; F1269-K1271 VanDerWaalsContact O-N 3.13Å |
| 1272 | D | 54.2 | Low | 74.9 | Confident | 108 Ų | 108 | 47.6 Ų | 47.6 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -102.7 | 135.1 | -176.1 | -57.4 | -64.5 | 0 | 0 | 0 | 109.8 | V1274 | D1272-V1274 PolarHBondContact O-N 2.86Š|
| 1273 | S | 57.7 | Low | 74.3 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 76% | 0.762 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 8.8 | -162.6 | 53.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1274 | V | 67.2 | Low | 74.1 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 38% | 0.376 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -32.4 | -172.4 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | D1272 V2042 R2043 L2116 | D1272-V1274 PolarHBondContact O-N 2.86Å; V1274-V2042 HydrophobicContact CG1-CG1 4.15Å; V1274-R2043 PolarHBondContact O-N 3.45Å; V1274-L2116 HydrophobicContact CG1-CD2 3.75Å |
| 1275 | L | 73.2 | Confident | 74.2 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.1 | -179.2 | -68.2 | 175 | 0 | 0 | 0 | 110.8 | I2036 Y2040 V2042 | L1275-I2036 HydrophobicContact CD2-CG1 4.38Å; L1275-Y2040 HydrophobicContact CB-CD1 4.26Å; L1275-V2042 HydrophobicContact CD2-CG2 4.13Å |
| 1276 | E | 76.2 | Confident | 74.6 | Confident | 59 Ų | 59 | 43 Ų | 43 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 138.8 | -179.9 | -169.8 | 174.1 | -97.6 | 0 | 0 | 110.1 | N1278 Y2040 Y2041 R2043 | E1276-N1278 PolarHBondContact O-N 3.01Å; E1276-Y2040 WeakPolarHBondContact O-CA 3.48Å; E1276-Y2041 HydrophobicContact CB-CD1 4.25Å; E1276-Y2041 HydrophobicContact CB-CE1 3.74Å; E1276-Y2041 HydrophobicContact CG-CE1 3.99Å; E1276-Y2041 PolarHBondContact N-O 2.73Å; E1276-Y2041 WeakPolarHBondContact O-CD1 3.45Å; E1276-Y2041 PolarHBondContact O-N 2.76Å; E1276-Y2041 WeakPolarHBondContact OE2-CE1 2.99Å; E1276-Y2041 PolarHBondContact OE2-OH 2.81Å; E1276-R2043 HydrophobicContact CB-CB 4.27Å; E1276-R2043 IonicContact OE1-CZ 2.69Å; E1276-R2043 IonicContact OE1-NE 3.48Å; E1276-R2043 IonicContact OE1-NH1 3.49Å; E1276-R2043 PolarHBondContact OE1-NH1 2.89Å |
| 1277 | F | 82.5 | Confident | 75 | Confident | 36 Ų | 36 | 43 Ų | 43 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.3 | 179.9 | -174.7 | -103.9 | 0 | 0 | 0 | 111 | I1256 H1259 R1260 G2039 Y2040 | I1256-F1277 HydrophobicContact CG2-CE1 3.81Å; I1256-F1277 HydrophobicContact CG2-CZ 3.97Å; H1259-F1277 AromaticContact CD2-CE2 3.89Å; R1260-F1277 HydrophobicContact CB-CD1 4.34Å; R1260-F1277 HydrophobicContact CB-CE1 4.12Å; R1260-F1277 HydrophobicContact CB-CE2 4.45Å; R1260-F1277 HydrophobicContact CB-CZ 4.17Å; R1260-F1277 HydrophobicContact CG-CD1 4.17Å; R1260-F1277 HydrophobicContact CG-CE1 4.45Å; R1260-F1277 HydrophobicContact CG-CG 4.19Å; F1277-G2039 WeakPolarHBondContact CD2-O 3.12Å; F1277-Y2040 HydrophobicContact CB-CD1 4.16Å; F1277-Y2040 HydrophobicContact CB-CE1 3.7Å; F1277-Y2040 AromaticContact CD2-CD2 3.95Å; F1277-Y2040 HydrophobicContact CD2-CD2 3.95Å; F1277-Y2040 HydrophobicContact CD2-CE1 4.21Å; F1277-Y2040 AromaticContact CD2-CE2 3.61Å; F1277-Y2040 HydrophobicContact CD2-CE2 3.61Å; F1277-Y2040 HydrophobicContact CD2-CG 4.38Å; F1277-Y2040 AromaticContact CD2-CZ 3.73Å; F1277-Y2040 HydrophobicContact CE2-CE2 4.3Å; F1277-Y2040 HydrophobicContact CG-CE1 4.45Å |
| 1278 | N | 81.5 | Confident | 75.5 | Confident | 50 Ų | 50 | 42.5 Ų | 42.5 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | trans | -152.4 | 99.8 | 170.9 | -172 | -31.4 | 0 | 0 | 0 | 110.1 | E1276 H1280 K1281 A1282 G2039 Y2041 | E1276-N1278 PolarHBondContact O-N 3.01Å; N1278-H1280 PolarHBondContact O-N 2.97Å; N1278-H1280 VanDerWaalsContact O-N 3.08Å; N1278-H1280 PolarHBondContact OD1-N 3.24Å; N1278-H1280 VanDerWaalsContact OD1-N 3.17Å; N1278-K1281 HydrophobicContact CB-CB 4.27Å; N1278-K1281 CarbonylContact O-C 3.44Å; N1278-K1281 PolarHBondContact O-N 3.42Å; N1278-A1282 PolarHBondContact O-N 2.95Å; N1278-G2039 CarbonylContact C-O 3.34Å; N1278-G2039 VanDerWaalsContact C-O 3.29Å; N1278-G2039 PolarHBondContact N-O 3.47Å; N1278-Y2041 HydrophobicContact CB-CD1 3.63Å; N1278-Y2041 HydrophobicContact CB-CE1 3.49Å; N1278-Y2041 VanDerWaalsContact CB-CE1 3.49Å | ||
| 1279 | F | 78.7 | Confident | 76.1 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.6 | -173.4 | -156.5 | -94 | 0 | 0 | 0 | 114.2 | L1153 Q1285 L1287 | L1153-F1279 HydrophobicContact CD2-CD1 3.66Å; L1153-F1279 HydrophobicContact CD2-CE1 3.95Å; L1153-F1279 HydrophobicContact CG-CD1 4.4Å; L1153-F1279 HydrophobicContact CG-CE1 4.41Å; F1279-Q1285 HydrophobicContact CE1-CB 4.22Å; F1279-Q1285 HydrophobicContact CZ-CB 4.37Å; F1279-L1287 HydrophobicContact CD2-CD2 4.03Å; F1279-L1287 HydrophobicContact CE1-CG 4.38Å; F1279-L1287 HydrophobicContact CE2-CD2 3.49Å; F1279-L1287 VanDerWaalsContact CE2-CD2 3.49Å; F1279-L1287 HydrophobicContact CE2-CG 3.83Å; F1279-L1287 HydrophobicContact CZ-CD2 3.84Å; F1279-L1287 HydrophobicContact CZ-CG 3.64Å |
| 1280 | H | 76.8 | Confident | 77 | Confident | 113 Ų | 113 | 40.3 Ų | 40.3 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.5 | 175.5 | -62.2 | -70.9 | 0 | 0 | 0 | 114.3 | N1278 | N1278-H1280 PolarHBondContact O-N 2.97Å; N1278-H1280 VanDerWaalsContact O-N 3.08Å; N1278-H1280 PolarHBondContact OD1-N 3.24Å; N1278-H1280 VanDerWaalsContact OD1-N 3.17Å |
| 1281 | K | 75.3 | Confident | 78.1 | Confident | 104 Ų | 104 | 37.9 Ų | 37.9 | 45% | 0.452 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 1.2 | 176.4 | -63.9 | -172.7 | 178.6 | -176.3 | 0 | 113.1 | N1278 Y2041 W2098 | N1278-K1281 HydrophobicContact CB-CB 4.27Å; N1278-K1281 CarbonylContact O-C 3.44Å; N1278-K1281 PolarHBondContact O-N 3.42Å; K1281-Y2041 HydrophobicContact CB-CD1 4.18Å; K1281-Y2041 HydrophobicContact CB-CD2 3.99Å; K1281-Y2041 HydrophobicContact CB-CE2 4.34Å; K1281-Y2041 HydrophobicContact CB-CG 3.9Å; K1281-Y2041 HydrophobicContact CD-CD2 4.29Å; K1281-Y2041 HydrophobicContact CD-CE2 3.83Å; K1281-Y2041 VanDerWaalsContact O-CB 3.24Å; K1281-Y2041 WeakPolarHBondContact O-CB 3.3Å; K1281-W2098 WeakPolarHBondContact O-CH2 3.45Å; K1281-W2098 WeakPolarHBondContact O-CZ2 3.23Å |
| 1282 | A | 76.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -73.1 | 139.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1278 L1284 Q1285 G2039 Y2040 W2098 | N1278-A1282 PolarHBondContact O-N 2.95Å; A1282-L1284 VanDerWaalsContact C-N 3.29Å; A1282-L1284 PolarHBondContact O-N 3.15Å; A1282-Q1285 HydrophobicContact CB-CG 4.39Å; A1282-Q1285 WeakPolarHBondContact O-CG 3.43Å; A1282-Q1285 PolarHBondContact O-NE2 2.88Å; A1282-G2039 VanDerWaalsContact CB-C 3.41Å; A1282-G2039 VanDerWaalsContact CB-CA 3.46Å; A1282-Y2040 WeakPolarHBondContact CA-O 3.3Å; A1282-Y2040 WeakPolarHBondContact CB-O 3.34Å; A1282-W2098 VanDerWaalsContact O-CZ3 3.3Å; A1282-W2098 WeakPolarHBondContact O-CZ3 3.4Å | ||
| 1283 | Y | 74.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.2 | -38 | 174.3 | -59.9 | -85.1 | 0 | 0 | 0 | 111.7 | F1145 I2036 V2042 P2100 Q2109 I2119 | F1145-Y1283 AromaticContact CD2-CD1 3.79Å; F1145-Y1283 HydrophobicContact CD2-CD1 3.79Å; F1145-Y1283 HydrophobicContact CD2-CG 4.11Å; F1145-Y1283 AromaticContact CE2-CD1 3.37Å; F1145-Y1283 HydrophobicContact CE2-CD1 3.37Å; F1145-Y1283 HydrophobicContact CE2-CD2 4.44Å; F1145-Y1283 HydrophobicContact CE2-CE1 4.04Å; F1145-Y1283 AromaticContact CE2-CG 3.6Å; F1145-Y1283 HydrophobicContact CE2-CG 3.6Å; F1145-Y1283 HydrophobicContact CZ-CD1 4.06Å; F1145-Y1283 HydrophobicContact CZ-CD2 4.34Å; F1145-Y1283 AromaticContact CZ-CG 3.82Å; F1145-Y1283 HydrophobicContact CZ-CG 3.82Å; Y1283-I2036 HydrophobicContact CD2-CD1 3.81Å; Y1283-I2036 HydrophobicContact CD2-CG2 4.37Å; Y1283-I2036 HydrophobicContact CE2-CD1 3.78Å; Y1283-V2042 HydrophobicContact CE2-CG2 4.43Å; Y1283-P2100 HydrophobicContact CD1-CB 3.8Å; Y1283-Q2109 PolarHBondContact OH-OE1 3.25Å; Y1283-I2119 HydrophobicContact CE2-CG2 4.41Å |
| 1284 | L | 81.6 | Confident | 81.8 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -112.3 | 108.2 | 177.5 | -62.4 | -179.5 | 0 | 0 | 0 | 109.2 | F1145 I1149 A1282 V1286 P2038 G2039 | F1145-L1284 HydrophobicContact CB-CD2 4.25Å; F1145-L1284 HydrophobicContact CD1-CD2 3.92Å; F1145-L1284 HydrophobicContact CD1-CG 4.06Å; F1145-L1284 HydrophobicContact CG-CD2 4.46Å; I1149-L1284 HydrophobicContact CD1-CD2 3.7Å; I1149-L1284 HydrophobicContact CG1-CD2 3.81Å; A1282-L1284 VanDerWaalsContact C-N 3.29Å; A1282-L1284 PolarHBondContact O-N 3.15Å; L1284-V1286 PolarHBondContact O-N 3.15Å; L1284-P2038 HydrophobicContact CB-CB 4.39Å; L1284-P2038 WeakPolarHBondContact O-CA 3.45Å; L1284-G2039 PolarHBondContact O-N 3.06Å |
| 1285 | Q | 84.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | trans | -104.3 | 57.4 | -172.4 | -62.1 | -179.6 | 8.3 | 0 | 0 | 110.6 | I1149 N1151 C1152 F1279 A1282 | I1149-Q1285 PolarHBondContact O-N 3.41Å; N1151-Q1285 PolarHBondContact OD1-NE2 2.85Å; C1152-Q1285 CarbonylContact C-O 3.36Å; C1152-Q1285 VanDerWaalsContact CB-O 3.23Å; C1152-Q1285 WeakPolarHBondContact CB-O 3.17Å; F1279-Q1285 HydrophobicContact CE1-CB 4.22Å; F1279-Q1285 HydrophobicContact CZ-CB 4.37Å; A1282-Q1285 HydrophobicContact CB-CG 4.39Å; A1282-Q1285 WeakPolarHBondContact O-CG 3.43Å; A1282-Q1285 PolarHBondContact O-NE2 2.88Å | ||
| 1286 | V | 86.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | trans | -122.6 | 132.9 | -178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | I1149 C1152 L1198 T1200 H1259 L1284 P2038 | I1149-V1286 HydrophobicContact CB-CG2 3.71Å; I1149-V1286 HydrophobicContact CG2-CG2 3.95Å; I1149-V1286 WeakPolarHBondContact O-CG2 3.47Å; C1152-V1286 HydrophobicContact CB-CG2 4.3Å; L1198-V1286 HydrophobicContact CB-CG1 4.06Å; L1198-V1286 HydrophobicContact CD2-CG1 4.21Å; T1200-V1286 HydrophobicContact CG2-CG1 3.84Å; T1200-V1286 HydrophobicContact CG2-CG2 3.96Å; H1259-V1286 PolarHBondContact NE2-O 2.99Å; H1259-V1286 VanDerWaalsContact NE2-O 3.13Å; L1284-V1286 PolarHBondContact O-N 3.15Å; V1286-P2038 WeakPolarHBondContact O-CB 3.4Å | ||
| 1287 | L | 88.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.1 | 175.3 | -70.8 | 171.2 | 0 | 0 | 0 | 110.4 | P1154 L1199 L1255 I1256 H1259 F1279 V1289 | P1154-L1287 HydrophobicContact CG-CD1 4.31Å; L1199-L1287 HydrophobicContact CB-CB 4.28Å; L1199-L1287 HydrophobicContact CD2-CD1 4.39Å; L1199-L1287 PolarHBondContact N-O 2.86Å; L1199-L1287 PolarHBondContact O-N 3.47Å; L1255-L1287 HydrophobicContact CB-CD1 4.25Å; I1256-L1287 HydrophobicContact CG1-CD1 4.21Å; I1256-L1287 HydrophobicContact CG1-CD2 3.98Å; H1259-L1287 HydrophobicContact CB-CD2 3.95Å; H1259-L1287 VanDerWaalsContact CE1-C 3.48Å; F1279-L1287 HydrophobicContact CD2-CD2 4.03Å; F1279-L1287 HydrophobicContact CE1-CG 4.38Å; F1279-L1287 HydrophobicContact CE2-CD2 3.49Å; F1279-L1287 VanDerWaalsContact CE2-CD2 3.49Å; F1279-L1287 HydrophobicContact CE2-CG 3.83Å; F1279-L1287 HydrophobicContact CZ-CD2 3.84Å; F1279-L1287 HydrophobicContact CZ-CG 3.64Å; L1287-V1289 HydrophobicContact CB-CG1 3.96Å |
| 1288 | V | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.5 | 159.2 | -177.3 | 0 | 0 | 0 | 0 | 108 | F1196 G1197 L1198 H1259 L1262 F1263 I1555 L1559 | F1196-V1288 HydrophobicContact CB-CG1 4.19Å; F1196-V1288 HydrophobicContact CD1-CG1 3.89Å; F1196-V1288 HydrophobicContact CG-CG1 4.34Å; G1197-V1288 WeakPolarHBondContact O-CA 3.3Å; L1198-V1288 HydrophobicContact CD2-CG2 3.83Å; H1259-V1288 WeakPolarHBondContact CE1-CA 3.49Å; H1259-V1288 WeakPolarHBondContact CE1-CB 3.08Å; H1259-V1288 PolarHBondContact CE1-N 3.45Å; H1259-V1288 PolarHBondContact CE1-O 3.23Å; H1259-V1288 PolarHBondContact ND1-N 2.92Å; H1259-V1288 PolarHBondContact ND1-O 3.12Å; H1259-V1288 WeakPolarHBondContact NE2-CB 3.32Å; H1259-V1288 WeakPolarHBondContact NE2-CG2 3.37Å; H1259-V1288 PolarHBondContact NE2-N 3.34Å; L1262-V1288 HydrophobicContact CD2-CB 4.39Å; L1262-V1288 HydrophobicContact CD2-CG1 3.84Å; F1263-V1288 HydrophobicContact CE2-CB 4.38Å; F1263-V1288 HydrophobicContact CE2-CG2 4.16Å; F1263-V1288 HydrophobicContact CZ-CG2 4.25Å; V1288-I1555 HydrophobicContact CG1-CD1 4.47Å; V1288-I1555 HydrophobicContact CG1-CG2 4.49Å; V1288-I1555 HydrophobicContact CG2-CG2 4.34Å; V1288-L1559 HydrophobicContact CG2-CD1 4.14Å |
| 1289 | V | 91.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152.7 | -175.6 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | L1164 F1196 G1197 L1199 L1255 L1287 I1298 | L1164-V1289 HydrophobicContact CD1-CG2 3.66Å; F1196-V1289 CarbonylContact C-O 3.59Å; F1196-V1289 WeakPolarHBondContact CA-O 3.49Å; G1197-V1289 PolarHBondContact N-O 3.2Å; G1197-V1289 PolarHBondContact O-N 2.87Å; L1199-V1289 HydrophobicContact CB-CG1 4.26Å; L1199-V1289 HydrophobicContact CB-CG2 4.5Å; L1255-V1289 HydrophobicContact CB-CG1 4.44Å; L1255-V1289 HydrophobicContact CD1-CG1 4.37Å; L1255-V1289 HydrophobicContact CD2-CB 4.14Å; L1255-V1289 HydrophobicContact CD2-CG1 3.78Å; L1255-V1289 HydrophobicContact CG-CG1 4.42Å; L1287-V1289 HydrophobicContact CB-CG1 3.96Å; V1289-I1298 HydrophobicContact CB-CD1 4.43Å; V1289-I1298 HydrophobicContact CG2-CD1 4.09Å; V1289-I1298 HydrophobicContact CG2-CG1 4.08Å |
| 1290 | P | 92.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.4 | 173.1 | 32.3 | -28.7 | 0 | 0 | 0 | 109 | G1195 F1258 I1298 D1299 F1302 I1303 | G1195-P1290 WeakPolarHBondContact O-CA 3.45Å; F1258-P1290 HydrophobicContact CD1-CG 4.32Å; F1258-P1290 HydrophobicContact CD2-CG 4.42Å; F1258-P1290 HydrophobicContact CE1-CB 4.34Å; F1258-P1290 HydrophobicContact CE1-CG 3.95Å; F1258-P1290 HydrophobicContact CE2-CG 4.04Å; F1258-P1290 HydrophobicContact CZ-CB 4Å; F1258-P1290 HydrophobicContact CZ-CG 3.8Å; P1290-I1298 WeakPolarHBondContact O-CA 3.33Å; P1290-D1299 PolarHBondContact O-N 3.38Å; P1290-F1302 HydrophobicContact CB-CD1 3.76Å; P1290-F1302 HydrophobicContact CB-CE1 4.29Å; P1290-F1302 HydrophobicContact CG-CD1 4.12Å; P1290-I1303 HydrophobicContact CG-CD1 3.79Å; P1290-I1303 HydrophobicContact CG-CG1 3.43Å; P1290-I1303 VanDerWaalsContact CG-CG1 3.43Å |
| 1291 | A | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1166 G1195 L1226 S1297 | Y1166-A1291 HydrophobicContact CD2-CB 4.1Å; Y1166-A1291 WeakPolarHBondContact CE2-O 3.44Å; G1195-A1291 CarbonylContact C-O 3.6Å; G1195-A1291 PolarHBondContact N-O 3.45Å; G1195-A1291 PolarHBondContact O-N 2.89Å; L1226-A1291 HydrophobicContact CD1-CB 4.42Å; A1291-S1297 WeakPolarHBondContact CA-O 3.28Å |
| 1292 | R | 86.8 | Confident | 85.4 | Confident | 77 Ų | 77 | 28 Ų | 28 | 29% | 0.291 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.4 | -177.8 | -94.3 | -179.9 | 74 | 157.2 | 2 | 111.5 | I1194 D1294 T1295 C1296 S1297 D1299 | I1194-R1292 HydrophobicContact CG1-CG 3.85Å; R1292-D1294 VanDerWaalsContact C-N 3.29Å; R1292-D1294 WeakPolarHBondContact CB-OD1 3.4Å; R1292-D1294 IonicContact CZ-OD1 2.73Å; R1292-D1294 IonicContact CZ-OD2 2.7Å; R1292-D1294 IonicContact NE-OD1 3.91Å; R1292-D1294 PolarHBondContact NE-OD1 3.42Å; R1292-D1294 IonicContact NE-OD2 2.77Å; R1292-D1294 PolarHBondContact NE-OD2 3.49Å; R1292-D1294 IonicContact NH2-OD1 2.73Å; R1292-D1294 IonicContact NH2-OD2 3.08Å; R1292-D1294 PolarHBondContact NH2-OD2 3.5Å; R1292-D1294 PolarHBondContact O-N 3.29Å; R1292-T1295 VanDerWaalsContact CB-OG1 3.22Å; R1292-T1295 WeakPolarHBondContact CB-OG1 3.45Å; R1292-C1296 WeakPolarHBondContact O-CA 3.5Å; R1292-C1296 PolarHBondContact O-N 3.28Å; R1292-S1297 PolarHBondContact N-O 3.4Å; R1292-D1299 WeakPolarHBondContact CD-OD2 3.46Å; R1292-D1299 HydrophobicContact CG-CB 4.37Å |
| 1293 | R | 77.8 | Confident | 85.9 | Confident | 58 Ų | 58 | 28 Ų | 28 | 22% | 0.219 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -34.3 | 179.7 | -171.9 | -171.8 | -173.4 | 130.8 | 21.5 | 112.1 | Y1166 D1168 P1193 | Y1166-R1293 HydrophobicContact CE1-CB 4.22Å; Y1166-R1293 HydrophobicContact CE1-CG 4.31Å; Y1166-R1293 HydrophobicContact CE2-CB 4.36Å; D1168-R1293 VanDerWaalsContact CG-NH1 3.29Å; D1168-R1293 IonicContact OD1-CZ 2.73Å; D1168-R1293 IonicContact OD1-NH1 2.73Å; D1168-R1293 PolarHBondContact OD1-NH1 3.4Å; D1168-R1293 IonicContact OD1-NH2 3.47Å; D1168-R1293 IonicContact OD2-CZ 3.44Å; D1168-R1293 VanDerWaalsContact OD2-CZ 3.27Å; D1168-R1293 IonicContact OD2-NH1 2.77Å; D1168-R1293 PolarHBondContact OD2-NH1 2.97Å; D1168-R1293 IonicContact OD2-NH2 3.5Å; D1168-R1293 PolarHBondContact OD2-NH2 2.89Å; P1193-R1293 PolarHBondContact O-N 3.43Å |
| 1294 | D | 82.8 | Confident | 86.5 | Confident | 86 Ų | 86 | 30.4 Ų | 30.4 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -39.3 | -175.3 | 62.1 | -40.1 | 0 | 0 | 0 | 112.8 | R1292 | R1292-D1294 VanDerWaalsContact C-N 3.29Å; R1292-D1294 WeakPolarHBondContact CB-OD1 3.4Å; R1292-D1294 IonicContact CZ-OD1 2.73Å; R1292-D1294 IonicContact CZ-OD2 2.7Å; R1292-D1294 IonicContact NE-OD1 3.91Å; R1292-D1294 PolarHBondContact NE-OD1 3.42Å; R1292-D1294 IonicContact NE-OD2 2.77Å; R1292-D1294 PolarHBondContact NE-OD2 3.49Å; R1292-D1294 IonicContact NH2-OD1 2.73Å; R1292-D1294 IonicContact NH2-OD2 3.08Å; R1292-D1294 PolarHBondContact NH2-OD2 3.5Å; R1292-D1294 PolarHBondContact O-N 3.29Å |
| 1295 | T | 80.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 34.6 Ų | 34.6 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -9.2 | 178.5 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | R1292 S1297 | R1292-T1295 VanDerWaalsContact CB-OG1 3.22Å; R1292-T1295 WeakPolarHBondContact CB-OG1 3.45Å; T1295-S1297 PolarHBondContact O-N 3.17Å; T1295-S1297 PolarHBondContact OG1-OG 3.48Å |
| 1296 | C | 80.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 12% | 0.122 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 32.2 | -173.7 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | L1226 W1227 I1242 R1292 | L1226-C1296 HydrophobicContact CD2-CB 4.11Å; W1227-C1296 PolarHBondContact NE1-O 3.01Å; W1227-C1296 VanDerWaalsContact NE1-O 3.09Å; I1242-C1296 HydrophobicContact CD1-CB 3.74Å; I1242-C1296 HydrophobicContact CG1-CB 4.46Å; R1292-C1296 WeakPolarHBondContact O-CA 3.5Å; R1292-C1296 PolarHBondContact O-N 3.28Å |
| 1297 | S | 86.2 | Confident | 86.6 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 163.7 | -174.3 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | A1291 R1292 T1295 | A1291-S1297 WeakPolarHBondContact CA-O 3.28Å; R1292-S1297 PolarHBondContact N-O 3.4Å; T1295-S1297 PolarHBondContact O-N 3.17Å; T1295-S1297 PolarHBondContact OG1-OG 3.48Å |
| 1298 | I | 87.4 | Confident | 86.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 140.6 | 160.8 | -65.8 | -178.4 | 0 | 0 | 0 | 108.7 | L1164 W1227 L1255 V1289 P1290 W1300 I1303 | L1164-I1298 HydrophobicContact CD2-CG1 3.99Å; W1227-I1298 HydrophobicContact CH2-CB 4.47Å; W1227-I1298 HydrophobicContact CH2-CD1 3.55Å; W1227-I1298 HydrophobicContact CH2-CG1 3.71Å; W1227-I1298 HydrophobicContact CZ2-CD1 4.36Å; W1227-I1298 HydrophobicContact CZ2-CG1 4.01Å; W1227-I1298 HydrophobicContact CZ3-CD1 4.01Å; W1227-I1298 HydrophobicContact CZ3-CG1 4.46Å; L1255-I1298 HydrophobicContact CD1-CD1 4.02Å; L1255-I1298 HydrophobicContact CD2-CD1 4.19Å; L1255-I1298 HydrophobicContact CD2-CG2 4Å; V1289-I1298 HydrophobicContact CB-CD1 4.43Å; V1289-I1298 HydrophobicContact CG2-CD1 4.09Å; V1289-I1298 HydrophobicContact CG2-CG1 4.08Å; P1290-I1298 WeakPolarHBondContact O-CA 3.33Å; I1298-W1300 HydrophobicContact CB-CZ2 4.43Å; I1298-W1300 HydrophobicContact CD1-CZ2 4.47Å; I1298-W1300 HydrophobicContact CG2-CD2 4.17Å; I1298-W1300 HydrophobicContact CG2-CE3 4.47Å; I1298-W1300 HydrophobicContact CG2-CH2 4.41Å; I1298-W1300 HydrophobicContact CG2-CZ2 4.12Å; I1298-W1300 PolarHBondContact O-N 3.45Å; I1298-I1303 HydrophobicContact CG2-CD1 3.51Å |
| 1299 | D | 90 | Very high | 85.3 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | trans | -89.5 | 93.4 | 176.1 | -166.4 | -36.6 | 0 | 0 | 0 | 110.6 | P1290 R1292 D1301 F1302 I1303 | P1290-D1299 PolarHBondContact O-N 3.38Å; R1292-D1299 WeakPolarHBondContact CD-OD2 3.46Å; R1292-D1299 HydrophobicContact CG-CB 4.37Å; D1299-D1301 VanDerWaalsContact C-N 3.34Å; D1299-D1301 PolarHBondContact OD1-N 3.2Å; D1299-D1301 VanDerWaalsContact OD1-N 3.13Å; D1299-F1302 HydrophobicContact CB-CB 4.17Å; D1299-F1302 WeakPolarHBondContact OD1-CB 3.47Å; D1299-F1302 PolarHBondContact OD1-N 3.27Å; D1299-I1303 WeakPolarHBondContact O-CD1 3.49Å; D1299-I1303 VanDerWaalsContact O-CG1 3.26Å; D1299-I1303 WeakPolarHBondContact O-CG1 3.4Å; D1299-I1303 PolarHBondContact O-N 2.99Å | ||
| 1300 | W | 87.6 | Confident | 83.9 | Confident | 68 Ų | 68 | 42 Ų | 42 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.9 | -28 | 179.6 | -65.6 | 109.5 | 0 | 0 | 0 | 113.4 | L1247 Q1251 L1255 I1298 I1303 N1304 | L1247-W1300 HydrophobicContact CD2-CH2 4.31Å; L1247-W1300 HydrophobicContact CD2-CZ2 3.95Å; Q1251-W1300 HydrophobicContact CB-CH2 3.65Å; Q1251-W1300 HydrophobicContact CB-CZ2 4.32Å; Q1251-W1300 HydrophobicContact CB-CZ3 4.19Å; Q1251-W1300 HydrophobicContact CG-CH2 3.81Å; Q1251-W1300 HydrophobicContact CG-CZ2 4.16Å; Q1251-W1300 HydrophobicContact CG-CZ3 4.17Å; L1255-W1300 HydrophobicContact CD1-CH2 3.88Å; L1255-W1300 HydrophobicContact CD2-CH2 4.01Å; L1255-W1300 HydrophobicContact CD2-CZ3 3.99Å; L1255-W1300 HydrophobicContact CG-CH2 3.86Å; L1255-W1300 HydrophobicContact CG-CZ3 4.02Å; I1298-W1300 HydrophobicContact CB-CZ2 4.43Å; I1298-W1300 HydrophobicContact CD1-CZ2 4.47Å; I1298-W1300 HydrophobicContact CG2-CD2 4.17Å; I1298-W1300 HydrophobicContact CG2-CE3 4.47Å; I1298-W1300 HydrophobicContact CG2-CH2 4.41Å; I1298-W1300 HydrophobicContact CG2-CZ2 4.12Å; I1298-W1300 PolarHBondContact O-N 3.45Å; W1300-I1303 HydrophobicContact CD2-CD1 4.42Å; W1300-I1303 HydrophobicContact CE3-CD1 3.75Å; W1300-I1303 HydrophobicContact CZ3-CD1 3.99Å; W1300-I1303 PolarHBondContact O-N 3.36Å; W1300-N1304 WeakPolarHBondContact O-CB 3.3Å; W1300-N1304 PolarHBondContact O-N 2.99Å; W1300-N1304 PolarHBondContact O-ND2 3.34Å |
| 1301 | D | 86.9 | Confident | 81.7 | Confident | 129 Ų | 129 | 45.9 Ų | 45.9 | 69% | 0.69 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -73.6 | -41.5 | -178.2 | -66 | -33.7 | 0 | 0 | 0 | 110.4 | D1299 N1304 L1305 | D1299-D1301 VanDerWaalsContact C-N 3.34Å; D1299-D1301 PolarHBondContact OD1-N 3.2Å; D1299-D1301 VanDerWaalsContact OD1-N 3.13Å; D1301-N1304 PolarHBondContact O-N 3.37Å; D1301-L1305 VanDerWaalsContact O-CB 3.32Å; D1301-L1305 WeakPolarHBondContact O-CB 3.43Å; D1301-L1305 PolarHBondContact O-N 2.81Å |
| 1302 | F | 88.2 | Confident | 79.6 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 171 | -175.3 | -116 | 0 | 0 | 0 | 112.4 | F1258 P1290 D1299 L1305 V1306 F1544 V1548 | F1258-F1302 HydrophobicContact CE2-CD1 4.03Å; F1258-F1302 AromaticContact CE2-CE1 3.71Å; F1258-F1302 HydrophobicContact CE2-CE1 3.71Å; F1258-F1302 HydrophobicContact CZ-CD1 4.37Å; F1258-F1302 AromaticContact CZ-CE1 3.91Å; F1258-F1302 HydrophobicContact CZ-CE1 3.91Å; P1290-F1302 HydrophobicContact CB-CD1 3.76Å; P1290-F1302 HydrophobicContact CB-CE1 4.29Å; P1290-F1302 HydrophobicContact CG-CD1 4.12Å; D1299-F1302 HydrophobicContact CB-CB 4.17Å; D1299-F1302 WeakPolarHBondContact OD1-CB 3.47Å; D1299-F1302 PolarHBondContact OD1-N 3.27Å; F1302-L1305 PolarHBondContact O-N 2.93Å; F1302-V1306 HydrophobicContact CD2-CG2 4.35Å; F1302-V1306 HydrophobicContact CE1-CG2 4.25Å; F1302-V1306 HydrophobicContact CE2-CG2 3.9Å; F1302-V1306 HydrophobicContact CZ-CG2 3.85Å; F1302-V1306 WeakPolarHBondContact O-CG2 3.45Å; F1302-V1306 PolarHBondContact O-N 2.96Å; F1302-F1544 HydrophobicContact CE1-CD1 4.5Å; F1302-F1544 HydrophobicContact CE1-CE1 4.16Å; F1302-F1544 HydrophobicContact CE1-CZ 4.33Å; F1302-F1544 AromaticContact CZ-CD1 3.86Å; F1302-F1544 HydrophobicContact CZ-CD1 3.86Å; F1302-F1544 HydrophobicContact CZ-CD2 4.2Å; F1302-F1544 AromaticContact CZ-CE1 3.94Å; F1302-F1544 HydrophobicContact CZ-CE1 3.94Å; F1302-F1544 HydrophobicContact CZ-CE2 4.29Å; F1302-F1544 AromaticContact CZ-CG 4Å; F1302-F1544 HydrophobicContact CZ-CG 4Å; F1302-F1544 HydrophobicContact CZ-CZ 4.16Å; F1302-V1548 HydrophobicContact CE1-CG1 4.33Å; F1302-V1548 HydrophobicContact CZ-CG1 4.25Å |
| 1303 | I | 87.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 173 | -70.1 | 162 | 0 | 0 | 0 | 110.7 | R1254 L1255 F1258 P1290 I1298 D1299 W1300 L1305 V1306 L1307 | R1254-I1303 HydrophobicContact CB-CG2 4.34Å; L1255-I1303 HydrophobicContact CD2-CD1 3.51Å; F1258-I1303 HydrophobicContact CB-CG2 4.48Å; F1258-I1303 HydrophobicContact CD2-CG1 4.12Å; F1258-I1303 HydrophobicContact CG-CG1 4.29Å; P1290-I1303 HydrophobicContact CG-CD1 3.79Å; P1290-I1303 HydrophobicContact CG-CG1 3.43Å; P1290-I1303 VanDerWaalsContact CG-CG1 3.43Å; I1298-I1303 HydrophobicContact CG2-CD1 3.51Å; D1299-I1303 WeakPolarHBondContact O-CD1 3.49Å; D1299-I1303 VanDerWaalsContact O-CG1 3.26Å; D1299-I1303 WeakPolarHBondContact O-CG1 3.4Å; D1299-I1303 PolarHBondContact O-N 2.99Å; W1300-I1303 HydrophobicContact CD2-CD1 4.42Å; W1300-I1303 HydrophobicContact CE3-CD1 3.75Å; W1300-I1303 HydrophobicContact CZ3-CD1 3.99Å; W1300-I1303 PolarHBondContact O-N 3.36Å; I1303-L1305 PolarHBondContact O-N 3.15Å; I1303-V1306 PolarHBondContact O-N 3.12Å; I1303-L1307 HydrophobicContact CG2-CD1 3.63Å; I1303-L1307 HydrophobicContact CG2-CG 4.27Å; I1303-L1307 WeakPolarHBondContact O-CB 3.38Å; I1303-L1307 VanDerWaalsContact O-CG 3.25Å; I1303-L1307 WeakPolarHBondContact O-CG 3.25Å; I1303-L1307 PolarHBondContact O-N 2.9Å |
| 1304 | N | 87.9 | Confident | 76.1 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | -178.4 | -69.5 | -33.6 | 0 | 0 | 0 | 111.2 | R1254 W1300 D1301 V1306 L1307 T1308 | R1254-N1304 PolarHBondContact NH1-OD1 3.1Å; W1300-N1304 WeakPolarHBondContact O-CB 3.3Å; W1300-N1304 PolarHBondContact O-N 2.99Å; W1300-N1304 PolarHBondContact O-ND2 3.34Å; D1301-N1304 PolarHBondContact O-N 3.37Å; N1304-V1306 PolarHBondContact O-N 2.74Å; N1304-L1307 PolarHBondContact O-N 3.26Å; N1304-T1308 PolarHBondContact O-N 3.15Å; N1304-T1308 PolarHBondContact O-OG1 3.43Å; N1304-T1308 VanDerWaalsContact O-OG1 3.12Å |
| 1305 | L | 86 | Confident | 73.9 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 175.8 | 178.6 | 68.1 | 0 | 0 | 0 | 112.5 | D1301 F1302 I1303 T1308 S1309 | D1301-L1305 VanDerWaalsContact O-CB 3.32Å; D1301-L1305 WeakPolarHBondContact O-CB 3.43Å; D1301-L1305 PolarHBondContact O-N 2.81Å; F1302-L1305 PolarHBondContact O-N 2.93Å; I1303-L1305 PolarHBondContact O-N 3.15Å; L1305-T1308 PolarHBondContact O-OG1 2.99Å; L1305-T1308 VanDerWaalsContact O-OG1 3.05Å; L1305-S1309 WeakPolarHBondContact O-CB 3.47Å; L1305-S1309 PolarHBondContact O-N 3.4Å; L1305-S1309 VanDerWaalsContact O-N 3.1Å; L1305-S1309 PolarHBondContact O-OG 2.89Å |
| 1306 | V | 84.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | F1258 I1261 F1302 I1303 N1304 T1308 S1309 S1310 F1544 | F1258-V1306 HydrophobicContact CD2-CB 4.36Å; F1258-V1306 HydrophobicContact CD2-CG1 4.21Å; F1258-V1306 HydrophobicContact CE2-CB 4.46Å; F1258-V1306 HydrophobicContact CE2-CG1 4.42Å; F1258-V1306 HydrophobicContact CE2-CG2 4.27Å; I1261-V1306 HydrophobicContact CD1-CG1 4.35Å; I1261-V1306 HydrophobicContact CG2-CG1 4Å; F1302-V1306 HydrophobicContact CD2-CG2 4.35Å; F1302-V1306 HydrophobicContact CE1-CG2 4.25Å; F1302-V1306 HydrophobicContact CE2-CG2 3.9Å; F1302-V1306 HydrophobicContact CZ-CG2 3.85Å; F1302-V1306 WeakPolarHBondContact O-CG2 3.45Å; F1302-V1306 PolarHBondContact O-N 2.96Å; I1303-V1306 PolarHBondContact O-N 3.12Å; N1304-V1306 PolarHBondContact O-N 2.74Å; V1306-T1308 PolarHBondContact O-N 3.39Å; V1306-S1309 PolarHBondContact O-N 3.47Å; V1306-S1309 PolarHBondContact O-OG 3.22Å; V1306-S1310 PolarHBondContact O-N 3.42Å; V1306-S1310 VanDerWaalsContact O-N 3.1Å; V1306-F1544 HydrophobicContact CB-CE2 4.39Å; V1306-F1544 HydrophobicContact CG1-CE2 3.83Å; V1306-F1544 HydrophobicContact CG2-CD2 3.94Å; V1306-F1544 HydrophobicContact CG2-CE2 3.57Å; V1306-F1544 HydrophobicContact CG2-CZ 4.3Å |
| 1307 | L | 83.6 | Confident | 69.7 | Low | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -178.7 | -70.2 | 174.1 | 0 | 0 | 0 | 113.3 | R1254 K1257 I1261 I1303 N1304 C1311 | R1254-L1307 HydrophobicContact CB-CD1 4.05Å; R1254-L1307 HydrophobicContact CG-CD1 4.07Å; K1257-L1307 HydrophobicContact CB-CD2 3.69Å; K1257-L1307 HydrophobicContact CD-CD2 4.49Å; I1261-L1307 HydrophobicContact CD1-CD2 3.86Å; I1303-L1307 HydrophobicContact CG2-CD1 3.63Å; I1303-L1307 HydrophobicContact CG2-CG 4.27Å; I1303-L1307 WeakPolarHBondContact O-CB 3.38Å; I1303-L1307 VanDerWaalsContact O-CG 3.25Å; I1303-L1307 WeakPolarHBondContact O-CG 3.25Å; I1303-L1307 PolarHBondContact O-N 2.9Å; N1304-L1307 PolarHBondContact O-N 3.26Å; L1307-C1311 PolarHBondContact O-N 3.29Å; L1307-C1311 PolarHBondContact O-SG 3.09Å |
| 1308 | T | 81.4 | Confident | 67.2 | Low | 82 Ų | 82 | 60.5 Ų | 60.5 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 172.6 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | N1304 L1305 V1306 S1310 C1311 D1312 | N1304-T1308 PolarHBondContact O-N 3.15Å; N1304-T1308 PolarHBondContact O-OG1 3.43Å; N1304-T1308 VanDerWaalsContact O-OG1 3.12Å; L1305-T1308 PolarHBondContact O-OG1 2.99Å; L1305-T1308 VanDerWaalsContact O-OG1 3.05Å; V1306-T1308 PolarHBondContact O-N 3.39Å; T1308-S1310 VanDerWaalsContact C-N 3.34Å; T1308-S1310 PolarHBondContact O-N 2.8Å; T1308-C1311 WeakPolarHBondContact O-CB 3.42Å; T1308-C1311 PolarHBondContact O-N 3.22Å; T1308-D1312 PolarHBondContact O-N 2.66Å |
| 1309 | S | 70.8 | Confident | 64.3 | Low | 28 Ų | 28 | 67.5 Ų | 67.5 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | -177.5 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | L1305 V1306 C1311 S1543 | L1305-S1309 WeakPolarHBondContact O-CB 3.47Å; L1305-S1309 PolarHBondContact O-N 3.4Å; L1305-S1309 VanDerWaalsContact O-N 3.1Å; L1305-S1309 PolarHBondContact O-OG 2.89Å; V1306-S1309 PolarHBondContact O-N 3.47Å; V1306-S1309 PolarHBondContact O-OG 3.22Å; S1309-C1311 VanDerWaalsContact C-N 3.34Å; S1309-S1543 WeakPolarHBondContact OG-CB 3.41Å; S1309-S1543 PolarHBondContact OG-OG 2.99Å |
| 1310 | S | 62.3 | Low | 61.6 | Low | 27 Ų | 27 | 70.6 Ų | 70.6 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.8 | -16.1 | 174.2 | -71.3 | 0 | 0 | 0 | 0 | 113 | E1265 V1306 T1308 | E1265-S1310 PolarHBondContact OE1-OG 3.07Å; V1306-S1310 PolarHBondContact O-N 3.42Å; V1306-S1310 VanDerWaalsContact O-N 3.1Å; T1308-S1310 VanDerWaalsContact C-N 3.34Å; T1308-S1310 PolarHBondContact O-N 2.8Å |
| 1311 | C | 47.2 | Very low | 58.9 | Low | 83 Ų | 83 | 75.7 Ų | 75.7 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.1 | -44 | 169.1 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | L1307 T1308 S1309 K1313 S1314 | L1307-C1311 PolarHBondContact O-N 3.29Å; L1307-C1311 PolarHBondContact O-SG 3.09Å; T1308-C1311 WeakPolarHBondContact O-CB 3.42Å; T1308-C1311 PolarHBondContact O-N 3.22Å; S1309-C1311 VanDerWaalsContact C-N 3.34Å; C1311-K1313 VanDerWaalsContact C-N 3.26Å; C1311-K1313 PolarHBondContact O-N 3Å; C1311-S1314 WeakPolarHBondContact O-CB 3.09Å; C1311-S1314 PolarHBondContact O-N 3.37Å; C1311-S1314 PolarHBondContact O-OG 3.35Å |
| 1312 | D | 46 | Very low | 56.3 | Low | 99 Ų | 99 | 80.1 Ų | 80.1 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -30.3 | -179.2 | -67.1 | -34.9 | 0 | 0 | 0 | 113 | T1308 S1314 I1315 C1316 | T1308-D1312 PolarHBondContact O-N 2.66Å; D1312-S1314 PolarHBondContact O-N 3.41Å; D1312-S1314 VanDerWaalsContact O-N 3.12Å; D1312-I1315 WeakPolarHBondContact O-CB 3.31Å; D1312-I1315 PolarHBondContact O-N 3.27Å; D1312-C1316 PolarHBondContact O-N 3.02Å |
| 1313 | K | 49.1 | Very low | 53.5 | Low | 52 Ų | 52 | 84.2 Ų | 84.2 | 23% | 0.226 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.1 | -27.8 | 172.8 | -66.6 | 177.2 | -171.8 | 170.1 | 0 | 113 | E1265 C1311 I1315 C1316 H1317 H1542 | E1265-K1313 IonicContact OE1-NZ 3.8Å; E1265-K1313 IonicContact OE2-NZ 2.86Å; E1265-K1313 PolarHBondContact OE2-NZ 3.21Å; C1311-K1313 VanDerWaalsContact C-N 3.26Å; C1311-K1313 PolarHBondContact O-N 3Å; K1313-I1315 PolarHBondContact O-N 3.27Å; K1313-C1316 PolarHBondContact O-N 3.11Å; K1313-H1317 PolarHBondContact O-CD2 2.99Å; K1313-H1317 PolarHBondContact O-N 3.33Å; K1313-H1542 PolarHBondContact NZ-NE2 3.24Å |
| 1314 | S | 41.7 | Very low | 50.9 | Low | 77 Ų | 77 | 91.7 Ų | 91.7 | 54% | 0.538 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -27.8 | 175.3 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | C1311 D1312 | C1311-S1314 WeakPolarHBondContact O-CB 3.09Å; C1311-S1314 PolarHBondContact O-N 3.37Å; C1311-S1314 PolarHBondContact O-OG 3.35Å; D1312-S1314 PolarHBondContact O-N 3.41Å; D1312-S1314 VanDerWaalsContact O-N 3.12Å |
| 1315 | I | 35.8 | Very low | 48.3 | Very low | 110 Ų | 110 | 97.8 Ų | 97.8 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -83.1 | -39.4 | 174.5 | -57.3 | 174.2 | 0 | 0 | 0 | 110 | D1312 K1313 H1317 L1318 | D1312-I1315 WeakPolarHBondContact O-CB 3.31Å; D1312-I1315 PolarHBondContact O-N 3.27Å; K1313-I1315 PolarHBondContact O-N 3.27Å; I1315-H1317 VanDerWaalsContact C-N 3.32Å; I1315-H1317 PolarHBondContact O-N 2.92Å; I1315-L1318 WeakPolarHBondContact O-CB 3.48Å; I1315-L1318 PolarHBondContact O-N 2.91Å; I1315-L1318 VanDerWaalsContact O-N 3.09Å |
| 1316 | C | 37.6 | Very low | 46.2 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | D1312 K1313 L1318 L1319 | D1312-C1316 PolarHBondContact O-N 3.02Å; K1313-C1316 PolarHBondContact O-N 3.11Å; C1316-L1318 PolarHBondContact O-N 2.96Å; C1316-L1318 VanDerWaalsContact O-N 3.15Å; C1316-L1319 PolarHBondContact O-N 2.69Å |
| 1317 | H | 36.9 | Very low | 44.2 | Very low | 108 Ų | 108 | 99.9 Ų | 99.9 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3.8 | 177.4 | -70.9 | -58.4 | 0 | 0 | 0 | 114.9 | K1313 I1315 R1321 | K1313-H1317 PolarHBondContact O-CD2 2.99Å; K1313-H1317 PolarHBondContact O-N 3.33Å; I1315-H1317 VanDerWaalsContact C-N 3.32Å; I1315-H1317 PolarHBondContact O-N 2.92Å; H1317-R1321 WeakPolarHBondContact O-CD 3.35Å; H1317-R1321 WeakPolarHBondContact O-CG 3.28Å |
| 1318 | L | 33 | Very low | 42.1 | Very low | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.6 | 172.4 | -66.5 | 168.1 | 0 | 0 | 0 | 113.1 | I1315 C1316 | I1315-L1318 WeakPolarHBondContact O-CB 3.48Å; I1315-L1318 PolarHBondContact O-N 2.91Å; I1315-L1318 VanDerWaalsContact O-N 3.09Å; C1316-L1318 PolarHBondContact O-N 2.96Å; C1316-L1318 VanDerWaalsContact O-N 3.15Å |
| 1319 | L | 27 | Very low | 40.4 | Very low | 150 Ų | 150 | 108.2 Ų | 108.2 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -126.3 | 103.9 | 175.8 | -72.1 | 168.9 | 0 | 0 | 0 | 110.2 | C1316 | C1316-L1319 PolarHBondContact O-N 2.69Š|
| 1320 | P | 33.5 | Very low | 39.1 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | S | Bend | cis | -118 | 87 | 6.1 | 37.6 | -21.8 | 0 | 0 | 0 | 113.1 | M1323 | P1320-M1323 HydrophobicContact CB-SD 4.18Š|
| 1321 | R | 30.5 | Very low | 38.1 | Very low | 175 Ų | 175 | 115.1 Ų | 115.1 | 66% | 0.66 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -92.7 | 11.4 | 167.4 | -81.5 | -170.3 | 168.5 | 179.7 | -2.8 | 114.5 | H1317 D1418 | H1317-R1321 WeakPolarHBondContact O-CD 3.35Å; H1317-R1321 WeakPolarHBondContact O-CG 3.28Å; R1321-D1418 IonicContact NH2-OD1 3.22Å |
| 1322 | R | 31.5 | Very low | 37.8 | Very low | 222 Ų | 222 | 117.9 Ų | 117.9 | 84% | 0.838 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -108.8 | 23.6 | 176.2 | -95 | -174 | 170.9 | 176.8 | -2 | 113.9 | ||
| 1323 | M | 30.5 | Very low | 37.8 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 47% | 0.473 | 58% | 0.576 | S | S | . | * | trans | -112.1 | -5.9 | 179.3 | -81.3 | -177.7 | 162.1 | 0 | 0 | 114.9 | P1320 E1325 W1331 | P1320-M1323 HydrophobicContact CB-SD 4.18Å; M1323-E1325 PolarHBondContact O-N 3.48Å; M1323-W1331 HydrophobicContact CE-CZ2 3.85Å; M1323-W1331 HydrophobicContact SD-CZ2 4.45Å | ||
| 1324 | N | 32.4 | Very low | 37.6 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 23.1 | -179.5 | -67.2 | 23.4 | 0 | 0 | 0 | 113.6 | ||
| 1325 | E | 34.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 85% | 0.846 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 13.3 | 175.8 | -65.6 | -178.1 | 149.8 | 0 | 0 | 112 | M1323 | M1323-E1325 PolarHBondContact O-N 3.48Š|
| 1326 | I | 41.7 | Very low | 38.1 | Very low | 83 Ų | 83 | 120 Ų | 120 | 43% | 0.426 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -131.9 | 134.7 | 178.2 | -59.5 | 177 | 0 | 0 | 0 | 107.7 | E1330 | I1326-E1330 HydrophobicContact CG2-CB 3.89Å; I1326-E1330 HydrophobicContact CG2-CG 4.48Å |
| 1327 | S | 42 | Very low | 38.7 | Very low | 57 Ų | 57 | 120.8 Ų | 120.8 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | trans | -74.8 | 162.7 | -177.7 | 88.7 | 0 | 0 | 0 | 0 | 112.6 | E1329 E1330 W1331 | S1327-E1329 WeakPolarHBondContact CB-OE2 3.24Å; S1327-E1329 PolarHBondContact O-N 3.09Å; S1327-E1329 PolarHBondContact OG-N 2.64Å; S1327-E1329 PolarHBondContact OG-OE2 3.46Å; S1327-E1330 PolarHBondContact O-N 2.89Å; S1327-E1330 PolarHBondContact OG-N 2.93Å; S1327-W1331 PolarHBondContact O-N 2.99Å | ||
| 1328 | Q | 39 | Very low | 39 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 75% | 0.748 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.9 | -26.6 | 178 | -71.7 | -166.3 | -4.6 | 0 | 0 | 112.5 | K1332 | Q1328-K1332 PolarHBondContact O-N 2.83Å |
| 1329 | E | 44.6 | Very low | 39.2 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 60% | 0.603 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -50.8 | 173.6 | -57.2 | 69.8 | -147.3 | 0 | 0 | 110.8 | S1327 W1331 K1332 E1333 | S1327-E1329 WeakPolarHBondContact CB-OE2 3.24Å; S1327-E1329 PolarHBondContact O-N 3.09Å; S1327-E1329 PolarHBondContact OG-N 2.64Å; S1327-E1329 PolarHBondContact OG-OE2 3.46Å; E1329-W1331 PolarHBondContact O-N 2.83Å; E1329-K1332 CarbonylContact O-C 3.49Å; E1329-K1332 WeakPolarHBondContact O-CB 3.28Å; E1329-K1332 PolarHBondContact O-N 3.15Å; E1329-K1332 VanDerWaalsContact O-N 3.07Å; E1329-E1333 PolarHBondContact O-N 2.66Å |
| 1330 | E | 43.6 | Very low | 40.2 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 36% | 0.355 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -29.6 | -176.7 | -154.2 | -168.8 | 169.2 | 0 | 0 | 111.7 | I1326 S1327 R1334 | I1326-E1330 HydrophobicContact CG2-CB 3.89Å; I1326-E1330 HydrophobicContact CG2-CG 4.48Å; S1327-E1330 PolarHBondContact O-N 2.89Å; S1327-E1330 PolarHBondContact OG-N 2.93Å; E1330-R1334 PolarHBondContact O-N 2.82Å; E1330-R1334 IonicContact OE1-CZ 3.97Å; E1330-R1334 IonicContact OE1-NH1 2.78Å; E1330-R1334 PolarHBondContact OE1-NH1 3.14Å; E1330-R1334 IonicContact OE1-NH2 3.35Å; E1330-R1334 PolarHBondContact OE1-NH2 3.11Å |
| 1331 | W | 41.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 47% | 0.47 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.7 | -39.3 | 172 | -124.6 | 83.1 | 0 | 0 | 0 | 113 | M1323 S1327 E1329 I1335 | M1323-W1331 HydrophobicContact CE-CZ2 3.85Å; M1323-W1331 HydrophobicContact SD-CZ2 4.45Å; S1327-W1331 PolarHBondContact O-N 2.99Å; E1329-W1331 PolarHBondContact O-N 2.83Å; W1331-I1335 HydrophobicContact CE3-CD1 3.64Å; W1331-I1335 HydrophobicContact CE3-CG1 4.42Å; W1331-I1335 HydrophobicContact CZ3-CD1 3.56Å; W1331-I1335 PolarHBondContact O-N 3.49Å; W1331-I1335 VanDerWaalsContact O-N 3.16Å |
| 1332 | K | 41.9 | Very low | 41 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.6 | -48.9 | 169.9 | -87.9 | 176.4 | 175.9 | 168.9 | 0 | 111 | Q1328 E1329 R1334 I1335 D1336 | Q1328-K1332 PolarHBondContact O-N 2.83Å; E1329-K1332 CarbonylContact O-C 3.49Å; E1329-K1332 WeakPolarHBondContact O-CB 3.28Å; E1329-K1332 PolarHBondContact O-N 3.15Å; E1329-K1332 VanDerWaalsContact O-N 3.07Å; K1332-R1334 PolarHBondContact O-N 3.28Å; K1332-I1335 CarbonylContact O-C 3.58Å; K1332-I1335 PolarHBondContact O-N 2.87Å; K1332-I1335 VanDerWaalsContact O-N 3.09Å; K1332-D1336 WeakPolarHBondContact O-CB 3.44Å; K1332-D1336 PolarHBondContact O-N 3.46Å |
| 1333 | E | 45.3 | Very low | 41 | Very low | 116 Ų | 116 | 111.3 Ų | 111.3 | 54% | 0.542 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.7 | -43.3 | 177.9 | -76 | -152.5 | 128.5 | 0 | 0 | 112.3 | E1329 I1335 D1336 Q1337 | E1329-E1333 PolarHBondContact O-N 2.66Å; E1333-I1335 VanDerWaalsContact C-N 3.31Å; E1333-I1335 PolarHBondContact O-N 3.08Å; E1333-D1336 PolarHBondContact O-N 2.5Å; E1333-Q1337 VanDerWaalsContact O-CB 3.31Å; E1333-Q1337 WeakPolarHBondContact O-CB 3.23Å; E1333-Q1337 VanDerWaalsContact O-CG 3.23Å; E1333-Q1337 WeakPolarHBondContact O-CG 3.28Å; E1333-Q1337 PolarHBondContact O-N 2.73Å |
| 1334 | R | 45.7 | Very low | 41.3 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 50% | 0.498 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.9 | -44.3 | 174.3 | -114.2 | 62.5 | 164.2 | -151.5 | -13.1 | 111.7 | E1330 K1332 I1338 | E1330-R1334 PolarHBondContact O-N 2.82Å; E1330-R1334 IonicContact OE1-CZ 3.97Å; E1330-R1334 IonicContact OE1-NH1 2.78Å; E1330-R1334 PolarHBondContact OE1-NH1 3.14Å; E1330-R1334 IonicContact OE1-NH2 3.35Å; E1330-R1334 PolarHBondContact OE1-NH2 3.11Å; K1332-R1334 PolarHBondContact O-N 3.28Å; R1334-I1338 WeakPolarHBondContact O-CD1 3.21Å; R1334-I1338 VanDerWaalsContact O-CG1 3.22Å; R1334-I1338 WeakPolarHBondContact O-CG1 3.43Å; R1334-I1338 PolarHBondContact O-N 3.03Å; R1334-I1338 VanDerWaalsContact O-N 3.08Å |
| 1335 | I | 44.6 | Very low | 41.2 | Very low | 65 Ų | 65 | 111.3 Ų | 111.3 | 33% | 0.333 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69 | -39.7 | 179 | -79.4 | 180 | 0 | 0 | 0 | 111.8 | W1331 K1332 E1333 I1338 K1339 | W1331-I1335 HydrophobicContact CE3-CD1 3.64Å; W1331-I1335 HydrophobicContact CE3-CG1 4.42Å; W1331-I1335 HydrophobicContact CZ3-CD1 3.56Å; W1331-I1335 PolarHBondContact O-N 3.49Å; W1331-I1335 VanDerWaalsContact O-N 3.16Å; K1332-I1335 CarbonylContact O-C 3.58Å; K1332-I1335 PolarHBondContact O-N 2.87Å; K1332-I1335 VanDerWaalsContact O-N 3.09Å; E1333-I1335 VanDerWaalsContact C-N 3.31Å; E1333-I1335 PolarHBondContact O-N 3.08Å; I1335-I1338 CarbonylContact O-C 3.59Å; I1335-I1338 WeakPolarHBondContact O-CB 3.02Å; I1335-I1338 PolarHBondContact O-N 3.13Å; I1335-K1339 HydrophobicContact CG2-CD 4.46Å; I1335-K1339 WeakPolarHBondContact O-CG 3.17Å; I1335-K1339 PolarHBondContact O-N 3.43Å |
| 1336 | D | 43.6 | Very low | 41.2 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.9 | -31.5 | -178.7 | -69.7 | -22.1 | 0 | 0 | 0 | 112.1 | K1332 E1333 I1338 K1339 L1340 | K1332-D1336 WeakPolarHBondContact O-CB 3.44Å; K1332-D1336 PolarHBondContact O-N 3.46Å; E1333-D1336 PolarHBondContact O-N 2.5Å; D1336-I1338 VanDerWaalsContact C-N 3.33Å; D1336-K1339 PolarHBondContact O-N 2.77Å; D1336-K1339 VanDerWaalsContact OD1-CD 3.31Å; D1336-K1339 WeakPolarHBondContact OD1-CD 3.39Å; D1336-K1339 WeakPolarHBondContact OD1-CE 3.35Å; D1336-K1339 IonicContact OD1-NZ 2.7Å; D1336-K1339 PolarHBondContact OD1-NZ 3.34Å; D1336-L1340 WeakPolarHBondContact O-CB 3.46Å; D1336-L1340 WeakPolarHBondContact O-CG 3.47Å; D1336-L1340 PolarHBondContact O-N 3.32Å |
| 1337 | Q | 50.5 | Low | 40.8 | Very low | 98 Ų | 98 | 110 Ų | 110 | 46% | 0.458 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.3 | -38.3 | 164.4 | -72.6 | 176.9 | 22.3 | 0 | 0 | 111.9 | E1333 L1340 Q1341 | E1333-Q1337 VanDerWaalsContact O-CB 3.31Å; E1333-Q1337 WeakPolarHBondContact O-CB 3.23Å; E1333-Q1337 VanDerWaalsContact O-CG 3.23Å; E1333-Q1337 WeakPolarHBondContact O-CG 3.28Å; E1333-Q1337 PolarHBondContact O-N 2.73Å; Q1337-L1340 PolarHBondContact O-N 3.19Å; Q1337-Q1341 WeakPolarHBondContact O-CG 3.31Å; Q1337-Q1341 PolarHBondContact O-N 3.03Å |
| 1338 | I | 43 | Very low | 40.2 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.5 | -40.3 | 174.2 | -72 | 164.6 | 0 | 0 | 0 | 111.2 | R1334 I1335 D1336 Q1341 A1342 | R1334-I1338 WeakPolarHBondContact O-CD1 3.21Å; R1334-I1338 VanDerWaalsContact O-CG1 3.22Å; R1334-I1338 WeakPolarHBondContact O-CG1 3.43Å; R1334-I1338 PolarHBondContact O-N 3.03Å; R1334-I1338 VanDerWaalsContact O-N 3.08Å; I1335-I1338 CarbonylContact O-C 3.59Å; I1335-I1338 WeakPolarHBondContact O-CB 3.02Å; I1335-I1338 PolarHBondContact O-N 3.13Å; D1336-I1338 VanDerWaalsContact C-N 3.33Å; I1338-Q1341 PolarHBondContact O-N 2.91Å; I1338-A1342 VanDerWaalsContact O-CB 3.29Å; I1338-A1342 WeakPolarHBondContact O-CB 3.35Å; I1338-A1342 PolarHBondContact O-N 3.19Å |
| 1339 | K | 36.6 | Very low | 39.7 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.1 | -45.3 | 172.7 | -68.5 | 172.8 | -164.4 | 157.1 | 0 | 111.6 | I1335 D1336 Q1341 A1342 | I1335-K1339 HydrophobicContact CG2-CD 4.46Å; I1335-K1339 WeakPolarHBondContact O-CG 3.17Å; I1335-K1339 PolarHBondContact O-N 3.43Å; D1336-K1339 PolarHBondContact O-N 2.77Å; D1336-K1339 VanDerWaalsContact OD1-CD 3.31Å; D1336-K1339 WeakPolarHBondContact OD1-CD 3.39Å; D1336-K1339 WeakPolarHBondContact OD1-CE 3.35Å; D1336-K1339 IonicContact OD1-NZ 2.7Å; D1336-K1339 PolarHBondContact OD1-NZ 3.34Å; K1339-Q1341 VanDerWaalsContact C-N 3.3Å; K1339-Q1341 PolarHBondContact O-N 2.85Å; K1339-A1342 PolarHBondContact O-N 2.73Å |
| 1340 | L | 47.7 | Very low | 38.8 | Very low | 148 Ų | 148 | 111 Ų | 111 | 78% | 0.775 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.3 | -36.1 | 176.3 | -86.1 | 160.1 | 0 | 0 | 0 | 112.7 | D1336 Q1337 | D1336-L1340 WeakPolarHBondContact O-CB 3.46Å; D1336-L1340 WeakPolarHBondContact O-CG 3.47Å; D1336-L1340 PolarHBondContact O-N 3.32Å; Q1337-L1340 PolarHBondContact O-N 3.19Å |
| 1341 | Q | 42.3 | Very low | 38.1 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 71% | 0.71 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.2 | -8.8 | 174 | -68.5 | -171.6 | 15.6 | 0 | 0 | 114.4 | Q1337 I1338 K1339 | Q1337-Q1341 WeakPolarHBondContact O-CG 3.31Å; Q1337-Q1341 PolarHBondContact O-N 3.03Å; I1338-Q1341 PolarHBondContact O-N 2.91Å; K1339-Q1341 VanDerWaalsContact C-N 3.3Å; K1339-Q1341 PolarHBondContact O-N 2.85Å |
| 1342 | A | 39.4 | Very low | 37.5 | Very low | 61 Ų | 61 | 114.8 Ų | 114.8 | 50% | 0.504 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -94.3 | -8.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1338 K1339 V1344 | I1338-A1342 VanDerWaalsContact O-CB 3.29Å; I1338-A1342 WeakPolarHBondContact O-CB 3.35Å; I1338-A1342 PolarHBondContact O-N 3.19Å; K1339-A1342 PolarHBondContact O-N 2.73Å; A1342-V1344 PolarHBondContact O-N 3.47Å |
| 1343 | G | 30.9 | Very low | 36.8 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 23.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1345 | G1343-V1345 PolarHBondContact O-N 2.74Š|
| 1344 | V | 36.5 | Very low | 35.8 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -86.1 | 104.6 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 110 | A1342 | A1342-V1344 PolarHBondContact O-N 3.47Š| ||
| 1345 | V | 30.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | trans | -99.1 | 126.3 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 110 | G1343 | G1343-V1345 PolarHBondContact O-N 2.74Š| ||
| 1346 | T | 33.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | trans | -129.1 | 105.8 | 165.8 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1347 | S | 33.1 | Very low | 33.3 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -83 | 153.8 | 174.5 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1348 | N | 29.6 | Very low | 32.3 | Very low | 166 Ų | 166 | 123 Ų | 123 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 151.7 | -173.8 | -57.6 | -27.5 | 0 | 0 | 0 | 114.7 | ||||
| 1349 | G | 28.9 | Very low | 31.4 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | 114.2 | 94.7 | 127.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1350 | S | 26.2 | Very low | 31 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 94% | 0.944 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 151.1 | 145.8 | 78.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1351 | G | 28.9 | Very low | 30.1 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 138.6 | 111.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1352 | K | 28 | Very low | 29.5 | Very low | 201 Ų | 201 | 123.1 Ų | 123.1 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -91.9 | 157 | 158.1 | -56.9 | 177.4 | -179.3 | 178.2 | 0 | 106.8 | ||||
| 1353 | T | 28.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | cis | -167.7 | 147.6 | 48.9 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1354 | F | 24 | Very low | 29 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 47.4 | 131.4 | 143.5 | -74.5 | -76.4 | 0 | 0 | 0 | 125.5 | ||||
| 1355 | N | 27.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 85.6 | 119 | 136.8 | -77.6 | -0.9 | 0 | 0 | 0 | 124.5 | ||||
| 1356 | T | 27 | Very low | 28.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 30.6 | 140.8 | 131.3 | 59.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1357 | S | 27.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | cis | -177.4 | 155.3 | 0 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1358 | N | 28.1 | Very low | 28 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 64.8 | 155.4 | 162.8 | -70 | -5 | 0 | 0 | 0 | 116.5 | ||||
| 1359 | T | 26.1 | Very low | 28.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | cis | -164.1 | 147 | -4.1 | 10.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1360 | H | 27.5 | Very low | 28.1 | Very low | 154 Ų | 154 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 60.3 | 160.3 | 160.2 | -70.6 | -75.9 | 0 | 0 | 0 | 117.7 | ||||
| 1361 | H | 29.4 | Very low | 28.8 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 62% | 0.616 | 75% | 0.751 | S | S | * | * | cis | -159.3 | 144.5 | -5.9 | -119.4 | -51.4 | 0 | 0 | 0 | 109.6 | ||||
| 1362 | H | 28.1 | Very low | 29 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | 57.5 | 156 | 154.4 | -64.4 | -61.6 | 0 | 0 | 0 | 120.3 | ||||
| 1363 | H | 31.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | cis | -155.8 | 147.2 | -14.2 | -121.8 | -36.2 | 0 | 0 | 0 | 111.7 | ||||
| 1364 | N | 28.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | 42.9 | 115.8 | 143.6 | -58.7 | -6.7 | 0 | 0 | 0 | 121.7 | ||||
| 1365 | R | 30.5 | Very low | 30.8 | Very low | 258 Ų | 258 | 125.2 Ų | 125.2 | 97% | 0.974 | 69% | 0.692 | S | S | * | * | -149.5 | 141.8 | 112.8 | -127.7 | 173.6 | -177.4 | 167.9 | 1.2 | 112.2 | |||||
| 1366 | K | 27.1 | Very low | 31.2 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 87% | 0.874 | 68% | 0.683 | S | S | * | * | trans | -92.5 | 135.6 | 178.9 | -60 | 174.8 | 176.8 | -179.5 | 0 | 110.7 | ||||
| 1367 | V | 29.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 90% | 0.897 | 67% | 0.674 | S | S | * | * | trans | -154 | 134.9 | 139 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1368 | G | 27.7 | Very low | 32.6 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 67% | 0.667 | S | S | * | * | trans | 57.5 | 103.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1369 | S | 31 | Very low | 33.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | trans | -146.5 | 99.4 | 150.4 | 50.4 | 0 | 0 | 0 | 0 | 111 | S1371 | S1369-S1371 PolarHBondContact O-N 3.33Š| ||
| 1370 | D | 29.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | trans | -72.5 | 120.9 | 168.2 | -75.7 | -53.1 | 0 | 0 | 0 | 109.3 | V1372 | D1370-V1372 PolarHBondContact O-N 3.09Š| ||
| 1371 | S | 39.2 | Very low | 34.1 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | trans | -71.6 | 124.7 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | S1369 A1373 S1374 | S1369-S1371 PolarHBondContact O-N 3.33Å; S1371-A1373 PolarHBondContact O-N 2.86Å; S1371-S1374 PolarHBondContact O-N 2.92Å; S1371-S1374 PolarHBondContact O-OG 3.45Å | ||
| 1372 | V | 33.4 | Very low | 34.5 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -51.3 | -27.7 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 113.2 | D1370 S1374 I1375 L1376 | D1370-V1372 PolarHBondContact O-N 3.09Å; V1372-S1374 VanDerWaalsContact C-N 3.27Å; V1372-S1374 PolarHBondContact O-N 3.25Å; V1372-I1375 PolarHBondContact O-N 3.2Å; V1372-I1375 VanDerWaalsContact O-N 3.09Å; V1372-L1376 PolarHBondContact O-N 3.14Å; V1372-L1376 VanDerWaalsContact O-N 3.12Å |
| 1373 | A | 39.4 | Very low | 35.1 | Very low | 65 Ų | 65 | 123 Ų | 123 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -55.8 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1371 I1375 V1377 | S1371-A1373 PolarHBondContact O-N 2.86Å; A1373-I1375 VanDerWaalsContact C-N 3.34Å; A1373-V1377 WeakPolarHBondContact O-CG2 3.4Å; A1373-V1377 PolarHBondContact O-N 2.85Å |
| 1374 | S | 40.7 | Very low | 35.1 | Very low | 61 Ų | 61 | 119.8 Ų | 119.8 | 43% | 0.427 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.5 | -28.8 | 178.5 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | S1371 V1372 N1378 | S1371-S1374 PolarHBondContact O-N 2.92Å; S1371-S1374 PolarHBondContact O-OG 3.45Å; V1372-S1374 VanDerWaalsContact C-N 3.27Å; V1372-S1374 PolarHBondContact O-N 3.25Å; S1374-N1378 WeakPolarHBondContact O-CB 3.43Å; S1374-N1378 PolarHBondContact O-N 3.18Å; S1374-N1378 PolarHBondContact O-ND2 3.18Å |
| 1375 | I | 38.4 | Very low | 35.4 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 39% | 0.385 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -79.3 | -37.6 | -178.9 | -60.5 | 176.1 | 0 | 0 | 0 | 110.5 | V1372 A1373 R1379 | V1372-I1375 PolarHBondContact O-N 3.2Å; V1372-I1375 VanDerWaalsContact O-N 3.09Å; A1373-I1375 VanDerWaalsContact C-N 3.34Å; I1375-R1379 WeakPolarHBondContact O-CG 3.3Å; I1375-R1379 PolarHBondContact O-N 3.1Å; I1375-R1379 VanDerWaalsContact O-N 3.12Å |
| 1376 | L | 36.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.2 | -47.6 | 179.1 | -139.5 | 76.8 | 0 | 0 | 0 | 111.7 | V1372 N1378 R1379 L1380 | V1372-L1376 PolarHBondContact O-N 3.14Å; V1372-L1376 VanDerWaalsContact O-N 3.12Å; L1376-N1378 PolarHBondContact O-N 2.88Å; L1376-R1379 PolarHBondContact O-N 3.31Å; L1376-L1380 PolarHBondContact O-N 2.92Å; L1376-L1380 VanDerWaalsContact O-N 3.16Å |
| 1377 | V | 45.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 53% | 0.533 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.5 | -43.1 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | A1373 R1379 L1380 Q1381 | A1373-V1377 WeakPolarHBondContact O-CG2 3.4Å; A1373-V1377 PolarHBondContact O-N 2.85Å; V1377-R1379 VanDerWaalsContact C-N 3.27Å; V1377-R1379 PolarHBondContact O-N 3.02Å; V1377-L1380 PolarHBondContact O-N 3.48Å; V1377-Q1381 PolarHBondContact O-N 2.96Å |
| 1378 | N | 38.8 | Very low | 35.9 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.5 | -17.8 | 177.5 | -84.7 | -76.5 | 0 | 0 | 0 | 114.3 | S1374 L1376 | S1374-N1378 WeakPolarHBondContact O-CB 3.43Å; S1374-N1378 PolarHBondContact O-N 3.18Å; S1374-N1378 PolarHBondContact O-ND2 3.18Å; L1376-N1378 PolarHBondContact O-N 2.88Å |
| 1379 | R | 36.8 | Very low | 36 | Very low | 163 Ų | 163 | 117.4 Ų | 117.4 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.1 | -38.8 | 172.7 | -75.1 | -179.3 | -175.9 | -170.7 | 3.2 | 111.9 | I1375 L1376 V1377 Q1381 K1382 | I1375-R1379 WeakPolarHBondContact O-CG 3.3Å; I1375-R1379 PolarHBondContact O-N 3.1Å; I1375-R1379 VanDerWaalsContact O-N 3.12Å; L1376-R1379 PolarHBondContact O-N 3.31Å; V1377-R1379 VanDerWaalsContact C-N 3.27Å; V1377-R1379 PolarHBondContact O-N 3.02Å; R1379-Q1381 VanDerWaalsContact C-N 3.3Å; R1379-Q1381 PolarHBondContact O-N 3.4Å; R1379-K1382 PolarHBondContact O-N 2.94Å |
| 1380 | L | 38.7 | Very low | 36 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.9 | -30.5 | 175.9 | -70.3 | 170.1 | 0 | 0 | 0 | 112.8 | L1376 V1377 K1382 S1383 | L1376-L1380 PolarHBondContact O-N 2.92Å; L1376-L1380 VanDerWaalsContact O-N 3.16Å; V1377-L1380 PolarHBondContact O-N 3.48Å; L1380-K1382 PolarHBondContact O-N 3.17Å; L1380-S1383 PolarHBondContact O-OG 3.41Å; L1380-S1383 VanDerWaalsContact O-OG 3.05Å |
| 1381 | Q | 36.8 | Very low | 36.2 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -8.2 | 170.6 | -73.2 | -174.1 | -42.7 | 0 | 0 | 114.4 | V1377 R1379 | V1377-Q1381 PolarHBondContact O-N 2.96Å; R1379-Q1381 VanDerWaalsContact C-N 3.3Å; R1379-Q1381 PolarHBondContact O-N 3.4Å |
| 1382 | K | 36.9 | Very low | 35.8 | Very low | 185 Ų | 185 | 118.4 Ų | 118.4 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 0.4 | 179.2 | -72.9 | -172.8 | 175 | -175.1 | 0 | 114.7 | R1379 L1380 | R1379-K1382 PolarHBondContact O-N 2.94Å; L1380-K1382 PolarHBondContact O-N 3.17Å |
| 1383 | S | 41.4 | Very low | 35.8 | Very low | 69 Ų | 69 | 121.6 Ų | 121.6 | 48% | 0.483 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -93.1 | -2.1 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | L1380 | L1380-S1383 PolarHBondContact O-OG 3.41Å; L1380-S1383 VanDerWaalsContact O-OG 3.05Å |
| 1384 | G | 31.1 | Very low | 35.6 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 68% | 0.684 | S | S | * | * | trans | 76.3 | 23.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1385 | I | 35.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | trans | -91.1 | -5.5 | -170.1 | -71.1 | 172.9 | 0 | 0 | 0 | 114.6 | ||||
| 1386 | I | 35.6 | Very low | 36.6 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 82% | 0.821 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -135 | 125.8 | -179.4 | -57.9 | -180 | 0 | 0 | 0 | 110.9 | ||
| 1387 | E | 30.8 | Very low | 37.8 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | trans | -79.7 | 157.1 | 173 | -66.8 | -168.1 | 140 | 0 | 0 | 112.7 | ||||
| 1388 | S | 30.5 | Very low | 39.4 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -92.9 | 126.8 | -159 | 57.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1389 | N | 30.1 | Very low | 41.3 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | -179.9 | 140 | 129.6 | -88.4 | -35.2 | 0 | 0 | 0 | 109.5 | |||||
| 1390 | S | 30.4 | Very low | 43.7 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | cis | -150.1 | 137 | -1.3 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1391 | V | 33.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | trans | 39.5 | 122.3 | 148.4 | -174.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1392 | N | 30.6 | Very low | 48.1 | Very low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | 59.4 | 86.2 | 159.6 | -64.4 | -12.4 | 0 | 0 | 0 | 118 | ||||
| 1393 | N | 33.7 | Very low | 50.4 | Low | 166 Ų | 166 | 123.8 Ų | 123.8 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -143 | 147.1 | 141.1 | -103.8 | -41 | 0 | 0 | 0 | 111.2 | ||||
| 1394 | K | 35 | Very low | 52.4 | Low | 178 Ų | 178 | 124.3 Ų | 124.3 | 77% | 0.774 | 67% | 0.669 | S | S | * | * | trans | -66.7 | 165.3 | 159.9 | -73.9 | 176.5 | 179.5 | 174.8 | 0 | 108.3 | S1396 | K1394-S1396 PolarHBondContact O-N 3.27Š| ||
| 1395 | P | 48.1 | Very low | 55 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -48.7 | 122.1 | 159.7 | 23.1 | -34.2 | 0 | 0 | 0 | 108.3 | I1397 | P1395-I1397 PolarHBondContact O-N 3.4Š|
| 1396 | S | 53.5 | Low | 57.4 | Low | 109 Ų | 109 | 118.5 Ų | 118.5 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | trans | -65.9 | 108.7 | -172.9 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | K1394 F1398 | K1394-S1396 PolarHBondContact O-N 3.27Å; S1396-F1398 PolarHBondContact O-N 3.01Å | ||
| 1397 | I | 61.4 | Low | 59.8 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 65% | 0.646 | 60% | 0.601 | S | S | * | * | trans | -54.8 | 127 | 175.2 | -59.6 | 173.1 | 0 | 0 | 0 | 107.3 | P1395 E1399 T1460 | P1395-I1397 PolarHBondContact O-N 3.4Å; I1397-E1399 PolarHBondContact O-N 3.24Å; I1397-T1460 HydrophobicContact CG2-CG2 4.41Å; I1397-T1460 VanDerWaalsContact CG2-OG1 3.32Å; I1397-T1460 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 1398 | F | 78.2 | Confident | 62.5 | Low | 49 Ų | 49 | 104.8 Ų | 104.8 | 22% | 0.215 | 56% | 0.56 | C | S | . | * | trans | -63.8 | 100.5 | -179.2 | 175.4 | -96.6 | 0 | 0 | 0 | 110.7 | S1396 F1400 F1405 T1460 P1536 E1537 | S1396-F1398 PolarHBondContact O-N 3.01Å; F1398-F1400 HydrophobicContact CD1-CB 4.49Å; F1398-F1400 HydrophobicContact CE1-CB 3.9Å; F1398-F1400 HydrophobicContact CE1-CD2 4.08Å; F1398-F1400 HydrophobicContact CZ-CD2 4.37Å; F1398-F1400 PolarHBondContact O-N 2.86Å; F1398-F1405 HydrophobicContact CZ-CE2 4.14Å; F1398-F1405 HydrophobicContact CZ-CZ 4.12Å; F1398-T1460 PolarHBondContact N-OG1 3Å; F1398-T1460 WeakPolarHBondContact O-CG2 3.27Å; F1398-T1460 PolarHBondContact O-OG1 3.14Å; F1398-P1536 HydrophobicContact CE1-CB 3.78Å; F1398-P1536 HydrophobicContact CZ-CB 3.72Å; F1398-E1537 HydrophobicContact CB-CB 4.29Å; F1398-E1537 HydrophobicContact CB-CG 3.87Å; F1398-E1537 HydrophobicContact CD1-CB 3.72Å; F1398-E1537 HydrophobicContact CD1-CG 4.26Å; F1398-E1537 HydrophobicContact CD2-CB 4.04Å; F1398-E1537 HydrophobicContact CD2-CG 4.08Å; F1398-E1537 HydrophobicContact CE1-CB 4.03Å; F1398-E1537 HydrophobicContact CE2-CB 4.32Å; F1398-E1537 HydrophobicContact CG-CB 3.73Å; F1398-E1537 HydrophobicContact CG-CG 3.8Å; F1398-E1537 HydrophobicContact CZ-CB 4.32Å | ||
| 1399 | E | 79.8 | Confident | 65.3 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | trans | -78.4 | 101.4 | 175.5 | -173.8 | -179.9 | -124.8 | 0 | 0 | 109.4 | I1397 R1401 | I1397-E1399 PolarHBondContact O-N 3.24Å; E1399-R1401 HydrophobicContact CG-CG 4.38Å; E1399-R1401 PolarHBondContact O-N 3.12Å; E1399-R1401 VanDerWaalsContact O-N 3.13Å; E1399-R1401 IonicContact OE2-CZ 2.57Å; E1399-R1401 IonicContact OE2-NE 2.64Å; E1399-R1401 PolarHBondContact OE2-NE 3.36Å; E1399-R1401 IonicContact OE2-NH2 3.97Å; E1399-R1401 PolarHBondContact OE2-NH2 2.86Å | ||
| 1400 | F | 85.7 | Confident | 68.1 | Low | 42 Ų | 42 | 92 Ų | 92 | 18% | 0.184 | 48% | 0.484 | C | S | . | . | trans | -67.4 | 112.2 | 175.4 | 179.1 | -97.1 | 0 | 0 | 0 | 111 | F1398 M1402 F1405 I1428 Q1463 P1464 L1466 P1536 | F1398-F1400 HydrophobicContact CD1-CB 4.49Å; F1398-F1400 HydrophobicContact CE1-CB 3.9Å; F1398-F1400 HydrophobicContact CE1-CD2 4.08Å; F1398-F1400 HydrophobicContact CZ-CD2 4.37Å; F1398-F1400 PolarHBondContact O-N 2.86Å; F1400-M1402 HydrophobicContact CE1-CB 3.95Å; F1400-M1402 HydrophobicContact CE1-CG 4.44Å; F1400-F1405 AromaticContact CD2-CD2 3.98Å; F1400-F1405 HydrophobicContact CD2-CD2 3.98Å; F1400-F1405 HydrophobicContact CD2-CE2 4.03Å; F1400-F1405 HydrophobicContact CE2-CB 4.24Å; F1400-F1405 AromaticContact CE2-CD2 3.41Å; F1400-F1405 HydrophobicContact CE2-CD2 3.41Å; F1400-F1405 VanDerWaalsContact CE2-CD2 3.41Å; F1400-F1405 AromaticContact CE2-CE2 3.9Å; F1400-F1405 HydrophobicContact CE2-CE2 3.9Å; F1400-F1405 AromaticContact CE2-CG 3.88Å; F1400-F1405 HydrophobicContact CE2-CG 3.88Å; F1400-F1405 HydrophobicContact CZ-CB 4.35Å; F1400-F1405 HydrophobicContact CZ-CD2 4.13Å; F1400-F1405 HydrophobicContact CZ-CG 4.46Å; F1400-I1428 HydrophobicContact CE1-CG2 4.04Å; F1400-I1428 HydrophobicContact CZ-CD1 4.23Å; F1400-I1428 HydrophobicContact CZ-CG2 3.72Å; F1400-Q1463 HydrophobicContact CB-CB 4.2Å; F1400-P1464 VanDerWaalsContact CD1-CD 3.49Å; F1400-P1464 HydrophobicContact CD1-CG 3.37Å; F1400-P1464 HydrophobicContact CD2-CG 4.16Å; F1400-P1464 HydrophobicContact CE1-CG 3.26Å; F1400-P1464 HydrophobicContact CE2-CG 4.06Å; F1400-P1464 HydrophobicContact CG-CG 3.83Å; F1400-P1464 HydrophobicContact CZ-CG 3.62Å; F1400-L1466 HydrophobicContact CE2-CD2 4.37Å; F1400-P1536 HydrophobicContact CD2-CB 3.6Å; F1400-P1536 HydrophobicContact CD2-CG 3.56Å; F1400-P1536 HydrophobicContact CE2-CB 3.74Å; F1400-P1536 HydrophobicContact CE2-CG 3.51Å | ||
| 1401 | R | 84.4 | Confident | 70.7 | Confident | 132 Ų | 132 | 87.9 Ų | 87.9 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | trans | -102.5 | 109.2 | 175 | -69.7 | 171.6 | 172.6 | -128.2 | -6.9 | 109.5 | E1399 E1403 E1404 | E1399-R1401 HydrophobicContact CG-CG 4.38Å; E1399-R1401 PolarHBondContact O-N 3.12Å; E1399-R1401 VanDerWaalsContact O-N 3.13Å; E1399-R1401 IonicContact OE2-CZ 2.57Å; E1399-R1401 IonicContact OE2-NE 2.64Å; E1399-R1401 PolarHBondContact OE2-NE 3.36Å; E1399-R1401 IonicContact OE2-NH2 3.97Å; E1399-R1401 PolarHBondContact OE2-NH2 2.86Å; R1401-E1403 VanDerWaalsContact C-N 3.26Å; R1401-E1403 PolarHBondContact O-N 2.83Å; R1401-E1404 HydrophobicContact CB-CB 4.23Å; R1401-E1404 HydrophobicContact CB-CG 3.91Å; R1401-E1404 WeakPolarHBondContact CD-OE1 3.42Å; R1401-E1404 WeakPolarHBondContact O-CB 3.41Å; R1401-E1404 PolarHBondContact O-N 3.31Å | ||
| 1402 | M | 84 | Confident | 73.1 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 47% | 0.473 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56 | -41.9 | -175.9 | -172.5 | 175.8 | 175.3 | 0 | 0 | 112.3 | F1400 E1404 F1405 V1406 I1428 | F1400-M1402 HydrophobicContact CE1-CB 3.95Å; F1400-M1402 HydrophobicContact CE1-CG 4.44Å; M1402-E1404 PolarHBondContact O-N 3.1Å; M1402-E1404 VanDerWaalsContact O-N 3.16Å; M1402-F1405 PolarHBondContact O-N 3.13Å; M1402-F1405 VanDerWaalsContact O-N 3.12Å; M1402-V1406 HydrophobicContact CE-CG2 4.37Å; M1402-V1406 HydrophobicContact CG-CG2 4.16Å; M1402-V1406 WeakPolarHBondContact O-CG2 3.48Å; M1402-V1406 PolarHBondContact O-N 2.83Å; M1402-I1428 HydrophobicContact CE-CD1 4.32Å; M1402-I1428 HydrophobicContact CG-CD1 3.69Å |
| 1403 | E | 84.5 | Confident | 75.3 | Confident | 181 Ų | 181 | 76.2 Ų | 76.2 | 85% | 0.846 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55.3 | -29.1 | 176.5 | -64.1 | 171.5 | -167 | 0 | 0 | 113.4 | R1401 | R1401-E1403 VanDerWaalsContact C-N 3.26Å; R1401-E1403 PolarHBondContact O-N 2.83Å |
| 1404 | E | 83.5 | Confident | 77.4 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -80.3 | -17 | -177.9 | -71.3 | -172.1 | -156 | 0 | 0 | 113.9 | R1401 M1402 R1541 | R1401-E1404 HydrophobicContact CB-CB 4.23Å; R1401-E1404 HydrophobicContact CB-CG 3.91Å; R1401-E1404 WeakPolarHBondContact CD-OE1 3.42Å; R1401-E1404 WeakPolarHBondContact O-CB 3.41Å; R1401-E1404 PolarHBondContact O-N 3.31Å; M1402-E1404 PolarHBondContact O-N 3.1Å; M1402-E1404 VanDerWaalsContact O-N 3.16Å; E1404-R1541 VanDerWaalsContact CB-NH1 3.27Å; E1404-R1541 WeakPolarHBondContact O-CD 3.23Å; E1404-R1541 PolarHBondContact O-NH1 3.42Å; E1404-R1541 IonicContact OE2-NH1 3.89Å |
| 1405 | F | 86.7 | Confident | 79.3 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -113.8 | -15.6 | -178.2 | -69.2 | -88.5 | 0 | 0 | 0 | 113.5 | F1398 F1400 M1402 A1408 V1410 V1425 I1428 L1466 P1536 | F1398-F1405 HydrophobicContact CZ-CE2 4.14Å; F1398-F1405 HydrophobicContact CZ-CZ 4.12Å; F1400-F1405 AromaticContact CD2-CD2 3.98Å; F1400-F1405 HydrophobicContact CD2-CD2 3.98Å; F1400-F1405 HydrophobicContact CD2-CE2 4.03Å; F1400-F1405 HydrophobicContact CE2-CB 4.24Å; F1400-F1405 AromaticContact CE2-CD2 3.41Å; F1400-F1405 HydrophobicContact CE2-CD2 3.41Å; F1400-F1405 VanDerWaalsContact CE2-CD2 3.41Å; F1400-F1405 AromaticContact CE2-CE2 3.9Å; F1400-F1405 HydrophobicContact CE2-CE2 3.9Å; F1400-F1405 AromaticContact CE2-CG 3.88Å; F1400-F1405 HydrophobicContact CE2-CG 3.88Å; F1400-F1405 HydrophobicContact CZ-CB 4.35Å; F1400-F1405 HydrophobicContact CZ-CD2 4.13Å; F1400-F1405 HydrophobicContact CZ-CG 4.46Å; M1402-F1405 PolarHBondContact O-N 3.13Å; M1402-F1405 VanDerWaalsContact O-N 3.12Å; F1405-A1408 VanDerWaalsContact O-CB 3.32Å; F1405-A1408 WeakPolarHBondContact O-CB 3.31Å; F1405-A1408 PolarHBondContact O-N 2.94Å; F1405-V1410 HydrophobicContact CD1-CG1 4.18Å; F1405-V1410 HydrophobicContact CE1-CG1 4.3Å; F1405-V1425 WeakPolarHBondContact O-CB 3.42Å; F1405-V1425 WeakPolarHBondContact O-CG1 3.39Å; F1405-I1428 HydrophobicContact CB-CD1 4.1Å; F1405-L1466 HydrophobicContact CB-CD2 4.22Å; F1405-L1466 HydrophobicContact CD1-CD1 3.75Å; F1405-L1466 HydrophobicContact CD1-CD2 4.37Å; F1405-L1466 HydrophobicContact CE1-CD1 4.12Å; F1405-L1466 HydrophobicContact CG-CD2 4.43Å; F1405-P1536 HydrophobicContact CE1-CB 4.04Å; F1405-P1536 HydrophobicContact CE2-CB 4.15Å; F1405-P1536 HydrophobicContact CZ-CB 3.81Å |
| 1406 | V | 85.9 | Confident | 80.3 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 134.2 | 167.1 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | M1402 A1408 I1428 | M1402-V1406 HydrophobicContact CE-CG2 4.37Å; M1402-V1406 HydrophobicContact CG-CG2 4.16Å; M1402-V1406 WeakPolarHBondContact O-CG2 3.48Å; M1402-V1406 PolarHBondContact O-N 2.83Å; V1406-A1408 PolarHBondContact O-N 2.81Å; V1406-A1408 VanDerWaalsContact O-N 3.13Å; V1406-I1428 HydrophobicContact CG2-CD1 3.71Å |
| 1407 | N | 85.8 | Confident | 81 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.9 | -176.5 | -163.6 | 19.2 | 0 | 0 | 0 | 114.1 | P1545 A1546 S1547 | N1407-P1545 CarbonylContact O-C 3.59Å; N1407-P1545 WeakPolarHBondContact O-CA 3.35Å; N1407-A1546 PolarHBondContact O-N 3.22Å; N1407-A1546 WeakPolarHBondContact OD1-CB 3.47Å; N1407-A1546 PolarHBondContact OD1-N 3.48Å; N1407-S1547 PolarHBondContact ND2-OG 2.76Å; N1407-S1547 PolarHBondContact OD1-N 2.89Å; N1407-S1547 PolarHBondContact OD1-OG 3.02Å |
| 1408 | A | 88.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 150.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1405 V1406 V1425 R1541 | F1405-A1408 VanDerWaalsContact O-CB 3.32Å; F1405-A1408 WeakPolarHBondContact O-CB 3.31Å; F1405-A1408 PolarHBondContact O-N 2.94Å; V1406-A1408 PolarHBondContact O-N 2.81Å; V1406-A1408 VanDerWaalsContact O-N 3.13Å; A1408-V1425 HydrophobicContact CB-CG2 4.2Å; A1408-V1425 PolarHBondContact O-N 3.04Å; A1408-R1541 HydrophobicContact CB-CG 4.22Å |
| 1409 | V | 88 | Confident | 80.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132 | 160.9 | 179 | 0 | 0 | 0 | 0 | 108.5 | Y1422 Y1423 Y1424 T1471 H1542 A1546 W1549 | V1409-Y1422 HydrophobicContact CG1-CD1 4.37Å; V1409-Y1422 HydrophobicContact CG1-CG 4.29Å; V1409-Y1423 CarbonylContact C-O 3.55Å; V1409-Y1423 WeakPolarHBondContact CA-O 3.39Å; V1409-Y1424 HydrophobicContact CG2-CD1 4.14Å; V1409-T1471 HydrophobicContact CG1-CG2 4.24Å; V1409-H1542 HydrophobicContact CB-CB 4.11Å; V1409-H1542 HydrophobicContact CG1-CB 4.23Å; V1409-H1542 PolarHBondContact O-N 2.91Å; V1409-A1546 HydrophobicContact CG2-CB 4.07Å; V1409-W1549 HydrophobicContact CB-CE3 4.2Å; V1409-W1549 HydrophobicContact CG1-CD2 4.28Å; V1409-W1549 HydrophobicContact CG1-CE3 3.96Å; V1409-W1549 HydrophobicContact CG1-CZ3 4.11Å; V1409-W1549 HydrophobicContact CG2-CB 3.92Å; V1409-W1549 HydrophobicContact CG2-CD2 3.99Å; V1409-W1549 HydrophobicContact CG2-CE3 3.88Å; V1409-W1549 HydrophobicContact CG2-CG 4.02Å |
| 1410 | V | 88.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.6 | -176.9 | -67.9 | 0 | 0 | 0 | 0 | 112 | F1405 Y1422 Y1423 V1425 V1468 C1539 F1540 | F1405-V1410 HydrophobicContact CD1-CG1 4.18Å; F1405-V1410 HydrophobicContact CE1-CG1 4.3Å; V1410-Y1422 CarbonylContact O-C 3.59Å; V1410-Y1422 WeakPolarHBondContact O-CA 3.33Å; V1410-Y1423 PolarHBondContact N-O 3.36Å; V1410-Y1423 PolarHBondContact O-N 2.99Å; V1410-V1425 HydrophobicContact CG1-CG2 3.86Å; V1410-V1425 HydrophobicContact CG2-CG2 3.9Å; V1410-V1468 HydrophobicContact CG2-CG1 4.22Å; V1410-C1539 HydrophobicContact CB-CB 4.17Å; V1410-C1539 HydrophobicContact CG1-CB 4.37Å; V1410-F1540 CarbonylContact C-O 3.4Å; V1410-F1540 WeakPolarHBondContact CA-O 3.48Å |
| 1411 | T | 86.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.9 | 163.8 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | G1413 P1420 Q1421 Y1422 C1539 F1540 | T1411-G1413 PolarHBondContact O-N 2.85Å; T1411-P1420 HydrophobicContact CG2-CB 4.32Å; T1411-P1420 WeakPolarHBondContact OG1-CB 3.16Å; T1411-Q1421 PolarHBondContact OG1-O 2.88Å; T1411-Y1422 HydrophobicContact CG2-CD1 4.24Å; T1411-Y1422 HydrophobicContact CG2-CE1 3.99Å; T1411-C1539 CarbonylContact O-C 3.46Å; T1411-C1539 WeakPolarHBondContact O-CA 3.28Å; T1411-F1540 HydrophobicContact CG2-CB 3.99Å; T1411-F1540 PolarHBondContact N-O 3.28Å; T1411-F1540 PolarHBondContact O-N 3.08Å |
| 1412 | P | 83.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 130.5 | 171.6 | 25 | -32.8 | 0 | 0 | 0 | 110.3 | Y1414 R1415 Y1423 | P1412-Y1414 VanDerWaalsContact C-N 3.31Å; P1412-Y1414 HydrophobicContact CB-CD1 3.83Å; P1412-Y1414 HydrophobicContact CB-CE1 3.2Å; P1412-Y1414 HydrophobicContact CB-CE2 4.32Å; P1412-Y1414 VanDerWaalsContact CB-CZ 3.47Å; P1412-Y1414 PolarHBondContact O-N 2.89Å; P1412-R1415 HydrophobicContact CB-CG 4.16Å; P1412-R1415 HydrophobicContact CG-CG 3.8Å; P1412-Y1423 HydrophobicContact CG-CE2 4.17Å |
| 1413 | G | 75.5 | Confident | 79.9 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1411 L1538 | T1411-G1413 PolarHBondContact O-N 2.85Å; G1413-L1538 PolarHBondContact N-O 3.07Å |
| 1414 | Y | 77.7 | Confident | 80 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 2.1 | -171.7 | 60.5 | -89.9 | 0 | 0 | 0 | 114.1 | P1412 Y1450 Y1454 L1534 L1538 | P1412-Y1414 VanDerWaalsContact C-N 3.31Å; P1412-Y1414 HydrophobicContact CB-CD1 3.83Å; P1412-Y1414 HydrophobicContact CB-CE1 3.2Å; P1412-Y1414 HydrophobicContact CB-CE2 4.32Å; P1412-Y1414 VanDerWaalsContact CB-CZ 3.47Å; P1412-Y1414 PolarHBondContact O-N 2.89Å; Y1414-Y1450 HydrophobicContact CD1-CE1 4.36Å; Y1414-Y1450 HydrophobicContact CD2-CE1 4.44Å; Y1414-Y1450 HydrophobicContact CE1-CD1 4.44Å; Y1414-Y1450 AromaticContact CE1-CE1 3.76Å; Y1414-Y1450 HydrophobicContact CE1-CE1 3.76Å; Y1414-Y1450 HydrophobicContact CE2-CD1 4.43Å; Y1414-Y1450 AromaticContact CE2-CE1 3.85Å; Y1414-Y1450 HydrophobicContact CE2-CE1 3.85Å; Y1414-Y1450 AromaticContact CZ-CE1 3.49Å; Y1414-Y1450 VanDerWaalsContact CZ-CE1 3.49Å; Y1414-Y1454 AromaticContact CD2-CD1 3.87Å; Y1414-Y1454 HydrophobicContact CD2-CD1 3.87Å; Y1414-Y1454 AromaticContact CD2-CD2 3.74Å; Y1414-Y1454 HydrophobicContact CD2-CD2 3.74Å; Y1414-Y1454 AromaticContact CD2-CE1 3.96Å; Y1414-Y1454 HydrophobicContact CD2-CE1 3.96Å; Y1414-Y1454 AromaticContact CD2-CE2 3.82Å; Y1414-Y1454 HydrophobicContact CD2-CE2 3.82Å; Y1414-Y1454 AromaticContact CD2-CG 3.76Å; Y1414-Y1454 HydrophobicContact CD2-CG 3.76Å; Y1414-Y1454 AromaticContact CD2-CZ 3.94Å; Y1414-Y1454 HydrophobicContact CE2-CD2 4.08Å; Y1414-Y1454 HydrophobicContact CE2-CE1 4.42Å; Y1414-Y1454 AromaticContact CE2-CE2 3.77Å; Y1414-Y1454 HydrophobicContact CE2-CE2 3.77Å; Y1414-Y1454 AromaticContact CE2-CZ 3.96Å; Y1414-Y1454 HydrophobicContact CG-CG 4.49Å; Y1414-L1534 WeakPolarHBondContact OH-CD2 3.44Å; Y1414-L1538 HydrophobicContact CD1-CB 3.99Å; Y1414-L1538 HydrophobicContact CE1-CB 4.27Å |
| 1415 | R | 76.3 | Confident | 80.2 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -146.9 | 148.7 | 179.3 | 68.3 | 178.9 | -175.9 | -158.8 | 0.8 | 113 | P1412 L1417 Y1423 | P1412-R1415 HydrophobicContact CB-CG 4.16Å; P1412-R1415 HydrophobicContact CG-CG 3.8Å; R1415-L1417 PolarHBondContact O-N 2.83Å; R1415-Y1423 PolarHBondContact NH2-OH 2.99Å |
| 1416 | N | 68.6 | Low | 79.8 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | 53.3 | 48.8 | 172 | -60 | 53.4 | 0 | 0 | 0 | 114.5 | D1418 Q1419 P1420 | N1416-D1418 VanDerWaalsContact C-N 3.28Å; N1416-D1418 PolarHBondContact O-N 2.76Å; N1416-Q1419 CarbonylContact O-C 3.54Å; N1416-Q1419 PolarHBondContact O-N 3.26Å; N1416-P1420 WeakPolarHBondContact O-CA 3.06Å | ||
| 1417 | L | 67.4 | Low | 79.7 | Confident | 106 Ų | 106 | 35.9 Ų | 35.9 | 56% | 0.555 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.6 | -176.3 | -70.2 | 171.5 | 0 | 0 | 0 | 114.4 | R1415 | R1415-L1417 PolarHBondContact O-N 2.83Š|
| 1418 | D | 63.8 | Low | 79.8 | Confident | 132 Ų | 132 | 34.1 Ų | 34.1 | 71% | 0.706 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20.4 | 177.2 | -56.4 | -70 | 0 | 0 | 0 | 113.5 | R1321 N1416 | R1321-D1418 IonicContact NH2-OD1 3.22Å; N1416-D1418 VanDerWaalsContact C-N 3.28Å; N1416-D1418 PolarHBondContact O-N 2.76Å |
| 1419 | Q | 67.4 | Low | 79.7 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -139.7 | 66 | 177.4 | -61.8 | -148.8 | 31.3 | 0 | 0 | 111.4 | N1416 | N1416-Q1419 CarbonylContact O-C 3.54Å; N1416-Q1419 PolarHBondContact O-N 3.26Å |
| 1420 | P | 70.6 | Confident | 79.6 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 144.7 | -173 | 18.9 | -30.4 | 0 | 0 | 0 | 111.7 | R1268 T1411 N1416 | R1268-P1420 VanDerWaalsContact CZ-O 3.24Å; R1268-P1420 PolarHBondContact NH1-O 2.74Å; R1268-P1420 PolarHBondContact NH2-O 2.91Å; T1411-P1420 HydrophobicContact CG2-CB 4.32Å; T1411-P1420 WeakPolarHBondContact OG1-CB 3.16Å; N1416-P1420 WeakPolarHBondContact O-CA 3.06Å |
| 1421 | Q | 77.6 | Confident | 79.4 | Confident | 45 Ų | 45 | 48 Ų | 48 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -101 | 116.5 | 175.3 | -71.7 | -174.5 | -12.1 | 0 | 0 | 109.3 | T1411 Y1423 | T1411-Q1421 PolarHBondContact OG1-O 2.88Å; Q1421-Y1423 HydrophobicContact CB-CE2 3.84Å; Q1421-Y1423 WeakPolarHBondContact O-CD2 3.44Å; Q1421-Y1423 WeakPolarHBondContact O-CE2 3.32Å; Q1421-Y1423 PolarHBondContact OE1-OH 2.81Å; Q1421-Y1423 VanDerWaalsContact OE1-OH 3.06Å |
| 1422 | Y | 85.5 | Confident | 79.4 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 138.7 | 178.4 | -63.3 | -52.4 | 0 | 0 | 0 | 111.2 | R1268 V1409 V1410 T1411 T1471 H1542 W1549 | R1268-Y1422 VanDerWaalsContact NH2-CD2 3.32Å; V1409-Y1422 HydrophobicContact CG1-CD1 4.37Å; V1409-Y1422 HydrophobicContact CG1-CG 4.29Å; V1410-Y1422 CarbonylContact O-C 3.59Å; V1410-Y1422 WeakPolarHBondContact O-CA 3.33Å; T1411-Y1422 HydrophobicContact CG2-CD1 4.24Å; T1411-Y1422 HydrophobicContact CG2-CE1 3.99Å; Y1422-T1471 WeakPolarHBondContact O-CB 3.45Å; Y1422-T1471 VanDerWaalsContact O-CG2 3.28Å; Y1422-T1471 WeakPolarHBondContact O-CG2 3.44Å; Y1422-T1471 PolarHBondContact O-N 3.35Å; Y1422-T1471 PolarHBondContact O-OG1 3.03Å; Y1422-H1542 AromaticContact CE1-CD2 3.75Å; Y1422-H1542 AromaticContact CZ-CD2 3.72Å; Y1422-W1549 AromaticContact CD2-CH2 3.28Å; Y1422-W1549 HydrophobicContact CD2-CH2 3.28Å; Y1422-W1549 AromaticContact CD2-CZ2 3.61Å; Y1422-W1549 HydrophobicContact CD2-CZ2 3.61Å; Y1422-W1549 HydrophobicContact CD2-CZ3 4.31Å; Y1422-W1549 AromaticContact CE2-CH2 3.59Å; Y1422-W1549 HydrophobicContact CE2-CH2 3.59Å; Y1422-W1549 HydrophobicContact CE2-CZ2 4.3Å; Y1422-W1549 AromaticContact CG-CH2 3.89Å; Y1422-W1549 HydrophobicContact CG-CH2 3.89Å; Y1422-W1549 HydrophobicContact CG-CZ2 4.2Å |
| 1423 | Y | 86 | Confident | 79.6 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.3 | 176.9 | -53.9 | -98.6 | 0 | 0 | 0 | 110.6 | V1409 V1410 P1412 R1415 Q1421 V1468 D1469 L1470 Q1532 L1534 | V1409-Y1423 CarbonylContact C-O 3.55Å; V1409-Y1423 WeakPolarHBondContact CA-O 3.39Å; V1410-Y1423 PolarHBondContact N-O 3.36Å; V1410-Y1423 PolarHBondContact O-N 2.99Å; P1412-Y1423 HydrophobicContact CG-CE2 4.17Å; R1415-Y1423 PolarHBondContact NH2-OH 2.99Å; Q1421-Y1423 HydrophobicContact CB-CE2 3.84Å; Q1421-Y1423 WeakPolarHBondContact O-CD2 3.44Å; Q1421-Y1423 WeakPolarHBondContact O-CE2 3.32Å; Q1421-Y1423 PolarHBondContact OE1-OH 2.81Å; Q1421-Y1423 VanDerWaalsContact OE1-OH 3.06Å; Y1423-V1468 HydrophobicContact CD1-CB 4.46Å; Y1423-V1468 HydrophobicContact CD1-CG2 3.64Å; Y1423-V1468 HydrophobicContact CD2-CG2 4.45Å; Y1423-V1468 HydrophobicContact CE1-CG2 4.41Å; Y1423-V1468 HydrophobicContact CG-CB 4.29Å; Y1423-V1468 HydrophobicContact CG-CG2 3.68Å; Y1423-D1469 CarbonylContact C-O 3.57Å; Y1423-D1469 VanDerWaalsContact CA-O 3.23Å; Y1423-D1469 WeakPolarHBondContact CA-O 3.49Å; Y1423-L1470 HydrophobicContact CD1-CB 4.26Å; Y1423-L1470 HydrophobicContact CD1-CD1 4Å; Y1423-L1470 HydrophobicContact CE1-CB 4.28Å; Y1423-L1470 HydrophobicContact CE1-CD1 3.48Å; Y1423-L1470 VanDerWaalsContact CE1-CD1 3.48Å; Y1423-Q1532 PolarHBondContact OH-OE1 3.22Å; Y1423-L1534 HydrophobicContact CD2-CD1 4.35Å |
| 1424 | Y | 86.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.9 | 163.5 | -50.5 | -67.9 | 0 | 0 | 0 | 108.7 | V1409 A1426 V1468 D1469 T1471 A1546 W1549 R1550 | V1409-Y1424 HydrophobicContact CG2-CD1 4.14Å; Y1424-A1426 PolarHBondContact O-N 3.31Å; Y1424-V1468 CarbonylContact O-C 3.55Å; Y1424-V1468 VanDerWaalsContact O-CA 3.26Å; Y1424-V1468 WeakPolarHBondContact O-CA 3.39Å; Y1424-V1468 WeakPolarHBondContact O-CB 3.44Å; Y1424-D1469 HydrophobicContact CD2-CB 4.41Å; Y1424-D1469 PolarHBondContact N-O 2.93Å; Y1424-D1469 PolarHBondContact O-N 3.08Å; Y1424-T1471 HydrophobicContact CD1-CG2 3.99Å; Y1424-T1471 HydrophobicContact CD2-CG2 4.21Å; Y1424-T1471 HydrophobicContact CE1-CG2 3.81Å; Y1424-T1471 HydrophobicContact CE2-CG2 4.03Å; Y1424-T1471 HydrophobicContact CG-CG2 4.19Å; Y1424-A1546 HydrophobicContact CD1-CB 3.74Å; Y1424-W1549 HydrophobicContact CE1-CB 4.06Å; Y1424-W1549 AromaticContact CE1-CD1 3.56Å; Y1424-W1549 AromaticContact CE1-CG 3.95Å; Y1424-W1549 HydrophobicContact CE1-CG 3.95Å; Y1424-W1549 AromaticContact CZ-CD1 3.87Å; Y1424-R1550 HydrophobicContact CE1-CG 3.84Å |
| 1425 | V | 87.7 | Confident | 80.6 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 116.4 | 161.1 | -179 | 0 | 0 | 0 | 0 | 107.2 | F1405 A1408 V1410 I1428 L1466 | F1405-V1425 WeakPolarHBondContact O-CB 3.42Å; F1405-V1425 WeakPolarHBondContact O-CG1 3.39Å; A1408-V1425 HydrophobicContact CB-CG2 4.2Å; A1408-V1425 PolarHBondContact O-N 3.04Å; V1410-V1425 HydrophobicContact CG1-CG2 3.86Å; V1410-V1425 HydrophobicContact CG2-CG2 3.9Å; V1425-I1428 HydrophobicContact CG1-CG1 4.04Å; V1425-L1466 HydrophobicContact CG1-CD2 4.08Å; V1425-L1466 HydrophobicContact CG2-CD1 4.18Å |
| 1426 | A | 79.9 | Confident | 81.2 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -48.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1424 D1467 | Y1424-A1426 PolarHBondContact O-N 3.31Å; A1426-D1467 WeakPolarHBondContact CB-O 3.39Å; A1426-D1467 PolarHBondContact N-O 3.42Å |
| 1427 | I | 82.9 | Confident | 81.9 | Confident | 79 Ų | 79 | 53 Ų | 53 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.5 | 176.9 | -57.7 | 179.8 | 0 | 0 | 0 | 108.7 | D1467 | I1427-D1467 HydrophobicContact CB-CB 4.26Å; I1427-D1467 PolarHBondContact N-O 3.36Å; I1427-D1467 PolarHBondContact O-N 2.87Å |
| 1428 | I | 88.1 | Confident | 82.7 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.5 | 170.2 | -60.2 | 169.3 | 0 | 0 | 0 | 107.6 | F1400 M1402 F1405 V1406 V1425 N1430 P1464 L1466 | F1400-I1428 HydrophobicContact CE1-CG2 4.04Å; F1400-I1428 HydrophobicContact CZ-CD1 4.23Å; F1400-I1428 HydrophobicContact CZ-CG2 3.72Å; M1402-I1428 HydrophobicContact CE-CD1 4.32Å; M1402-I1428 HydrophobicContact CG-CD1 3.69Å; F1405-I1428 HydrophobicContact CB-CD1 4.1Å; V1406-I1428 HydrophobicContact CG2-CD1 3.71Å; V1425-I1428 HydrophobicContact CG1-CG1 4.04Å; I1428-N1430 PolarHBondContact O-N 3.32Å; I1428-P1464 HydrophobicContact CG2-CB 4.12Å; I1428-P1464 HydrophobicContact CG2-CG 3.98Å; I1428-L1466 HydrophobicContact CG1-CD2 4.01Å |
| 1429 | R | 86.7 | Confident | 83.4 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 88.4 | -176.1 | -75.6 | -156.7 | 69.4 | 145.9 | -10.5 | 111.3 | D1431 M1432 P1464 L1465 D1467 | R1429-D1431 WeakPolarHBondContact CB-OD1 3.37Å; R1429-D1431 IonicContact CZ-OD1 2.94Å; R1429-D1431 IonicContact CZ-OD2 2.63Å; R1429-D1431 IonicContact NE-OD1 2.78Å; R1429-D1431 PolarHBondContact NE-OD1 3.14Å; R1429-D1431 IonicContact NE-OD2 3.2Å; R1429-D1431 VanDerWaalsContact NH2-CG 3.34Å; R1429-D1431 IonicContact NH2-OD1 3.9Å; R1429-D1431 PolarHBondContact NH2-OD1 3.07Å; R1429-D1431 IonicContact NH2-OD2 3.22Å; R1429-D1431 PolarHBondContact NH2-OD2 3.34Å; R1429-D1431 PolarHBondContact O-N 2.93Å; R1429-M1432 HydrophobicContact CB-CB 4.48Å; R1429-M1432 PolarHBondContact O-N 3.3Å; R1429-P1464 WeakPolarHBondContact O-CB 3.31Å; R1429-L1465 PolarHBondContact N-O 3.12Å; R1429-L1465 PolarHBondContact O-N 3Å; R1429-D1467 HydrophobicContact CG-CB 4.44Å |
| 1430 | N | 85.1 | Confident | 83.7 | Confident | 113 Ų | 113 | 47.4 Ų | 47.4 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10.4 | 174.2 | -66.1 | -19.6 | 0 | 0 | 0 | 113.9 | I1428 P1464 | I1428-N1430 PolarHBondContact O-N 3.32Å; N1430-P1464 WeakPolarHBondContact OD1-CB 3.3Å |
| 1431 | D | 83.9 | Confident | 83.9 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.8 | 177.9 | 67.9 | -23.8 | 0 | 0 | 0 | 113.8 | R1429 | R1429-D1431 WeakPolarHBondContact CB-OD1 3.37Å; R1429-D1431 IonicContact CZ-OD1 2.94Å; R1429-D1431 IonicContact CZ-OD2 2.63Å; R1429-D1431 IonicContact NE-OD1 2.78Å; R1429-D1431 PolarHBondContact NE-OD1 3.14Å; R1429-D1431 IonicContact NE-OD2 3.2Å; R1429-D1431 VanDerWaalsContact NH2-CG 3.34Å; R1429-D1431 IonicContact NH2-OD1 3.9Å; R1429-D1431 PolarHBondContact NH2-OD1 3.07Å; R1429-D1431 IonicContact NH2-OD2 3.22Å; R1429-D1431 PolarHBondContact NH2-OD2 3.34Å; R1429-D1431 PolarHBondContact O-N 2.93Å |
| 1432 | M | 86.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 18% | 0.177 | 31% | 0.313 | C | S | . | . | trans | -131.8 | 143.2 | 176.9 | -61.5 | -175.4 | 72.1 | 0 | 0 | 111.1 | R1429 S1436 F1446 P1464 L1465 L1533 | R1429-M1432 HydrophobicContact CB-CB 4.48Å; R1429-M1432 PolarHBondContact O-N 3.3Å; M1432-S1436 WeakPolarHBondContact CA-OG 3.29Å; M1432-F1446 HydrophobicContact CE-CE2 3.96Å; M1432-P1464 CarbonylContact O-C 3.59Å; M1432-P1464 WeakPolarHBondContact O-CA 3.48Å; M1432-L1465 HydrophobicContact CB-CB 4.38Å; M1432-L1465 HydrophobicContact CB-CD1 3.84Å; M1432-L1465 HydrophobicContact CB-CG 4.11Å; M1432-L1465 HydrophobicContact CE-CD1 4.29Å; M1432-L1465 PolarHBondContact O-N 3.22Å; M1432-L1465 VanDerWaalsContact O-N 3.14Å; M1432-L1533 HydrophobicContact CE-CD1 3.76Å; M1432-L1533 HydrophobicContact SD-CD1 3.8Å | ||
| 1433 | S | 88.9 | Confident | 83.6 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | trans | -129.3 | 173.5 | 175.9 | 98.2 | 0 | 0 | 0 | 0 | 111.2 | L1435 S1436 N1461 Q1463 | S1433-L1435 PolarHBondContact O-N 2.85Å; S1433-L1435 PolarHBondContact OG-N 2.74Å; S1433-S1436 PolarHBondContact N-OG 2.77Å; S1433-S1436 VanDerWaalsContact O-CB 3.25Å; S1433-S1436 WeakPolarHBondContact O-CB 3.31Å; S1433-S1436 PolarHBondContact O-N 3.15Å; S1433-S1436 PolarHBondContact O-OG 3.41Å; S1433-N1461 WeakPolarHBondContact CB-O 3.42Å; S1433-N1461 PolarHBondContact OG-O 2.94Å; S1433-Q1463 WeakPolarHBondContact CA-O 3.01Å; S1433-Q1463 WeakPolarHBondContact CB-O 3.38Å | ||
| 1434 | P | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -22.7 | 168.2 | -31.7 | 35.8 | 0 | 0 | 0 | 115.6 | F1446 A1447 I1458 Q1463 L1465 V1535 | P1434-F1446 PolarHBondContact O-N 2.92Å; P1434-A1447 HydrophobicContact CB-CB 4.21Å; P1434-A1447 WeakPolarHBondContact O-CB 3.37Å; P1434-A1447 PolarHBondContact O-N 3.28Å; P1434-I1458 HydrophobicContact CB-CD1 3.86Å; P1434-I1458 HydrophobicContact CB-CG2 4.19Å; P1434-I1458 HydrophobicContact CG-CD1 4.21Å; P1434-I1458 HydrophobicContact CG-CG2 3.95Å; P1434-Q1463 WeakPolarHBondContact CD-O 3.32Å; P1434-Q1463 HydrophobicContact CG-CG 3.84Å; P1434-L1465 HydrophobicContact CG-CD2 4.46Å; P1434-V1535 HydrophobicContact CG-CG1 4.24Å; P1434-V1535 HydrophobicContact CG-CG2 4.27Å |
| 1435 | L | 87.1 | Confident | 83.5 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -11.8 | 178 | -62.6 | 178.6 | 0 | 0 | 0 | 114.3 | S1433 N1445 N1461 | S1433-L1435 PolarHBondContact O-N 2.85Å; S1433-L1435 PolarHBondContact OG-N 2.74Å; L1435-N1445 VanDerWaalsContact O-CB 3.25Å; L1435-N1445 WeakPolarHBondContact O-CB 3.42Å; L1435-N1445 PolarHBondContact O-ND2 3.34Å; L1435-N1461 HydrophobicContact CD1-CB 3.96Å; L1435-N1461 HydrophobicContact CD2-CB 4.31Å; L1435-N1461 HydrophobicContact CG-CB 3.95Å |
| 1436 | S | 87.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -64.2 | 149.2 | 175 | -62.5 | 0 | 0 | 0 | 0 | 112 | M1432 S1433 N1445 F1446 | M1432-S1436 WeakPolarHBondContact CA-OG 3.29Å; S1433-S1436 PolarHBondContact N-OG 2.77Å; S1433-S1436 VanDerWaalsContact O-CB 3.25Å; S1433-S1436 WeakPolarHBondContact O-CB 3.31Å; S1433-S1436 PolarHBondContact O-N 3.15Å; S1433-S1436 PolarHBondContact O-OG 3.41Å; S1436-N1445 WeakPolarHBondContact O-CA 3.36Å; S1436-N1445 WeakPolarHBondContact O-CB 3.49Å; S1436-F1446 WeakPolarHBondContact O-CD2 3.42Å; S1436-F1446 PolarHBondContact O-N 3.17Å |
| 1437 | P | 84.4 | Confident | 83.8 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 144.8 | -178.7 | 24.3 | -34.6 | 0 | 0 | 0 | 112.3 | R1444 F1446 | P1437-R1444 WeakPolarHBondContact CA-O 3.5Å; P1437-F1446 WeakPolarHBondContact O-CE2 3.45Å |
| 1438 | F | 84.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 150.5 | 178.1 | -167.5 | -107.4 | 0 | 0 | 0 | 110.1 | S1440 F1443 F1446 Y1449 | F1438-S1440 PolarHBondContact O-N 2.96Å; F1438-F1443 HydrophobicContact CB-CB 4.12Å; F1438-F1443 WeakPolarHBondContact CB-O 3.49Å; F1438-F1443 HydrophobicContact CD1-CB 4Å; F1438-F1443 HydrophobicContact CD1-CD2 4.04Å; F1438-F1443 HydrophobicContact CD1-CG 4.45Å; F1438-F1443 HydrophobicContact CE1-CD2 4.1Å; F1438-F1443 HydrophobicContact CG-CB 4.17Å; F1438-F1446 AromaticContact CD2-CD1 3.58Å; F1438-F1446 HydrophobicContact CD2-CD1 3.58Å; F1438-F1446 HydrophobicContact CD2-CD2 4.43Å; F1438-F1446 AromaticContact CD2-CE1 3.67Å; F1438-F1446 HydrophobicContact CD2-CE1 3.67Å; F1438-F1446 HydrophobicContact CD2-CE2 4.49Å; F1438-F1446 AromaticContact CD2-CG 3.99Å; F1438-F1446 HydrophobicContact CD2-CG 3.99Å; F1438-F1446 HydrophobicContact CD2-CZ 4.14Å; F1438-F1446 AromaticContact CE2-CD1 3.81Å; F1438-F1446 HydrophobicContact CE2-CD1 3.81Å; F1438-F1446 AromaticContact CE2-CE1 3.8Å; F1438-F1446 HydrophobicContact CE2-CE1 3.8Å; F1438-Y1449 HydrophobicContact CD1-CD2 4.49Å; F1438-Y1449 HydrophobicContact CD2-CD1 4.41Å; F1438-Y1449 HydrophobicContact CD2-CG 4.06Å; F1438-Y1449 AromaticContact CE1-CD2 3.81Å; F1438-Y1449 HydrophobicContact CE1-CD2 3.81Å; F1438-Y1449 HydrophobicContact CE1-CE2 4.1Å; F1438-Y1449 HydrophobicContact CE1-CG 4.24Å; F1438-Y1449 AromaticContact CE2-CD1 3.61Å; F1438-Y1449 HydrophobicContact CE2-CD1 3.61Å; F1438-Y1449 AromaticContact CE2-CD2 3.9Å; F1438-Y1449 HydrophobicContact CE2-CD2 3.9Å; F1438-Y1449 HydrophobicContact CE2-CE1 4.05Å; F1438-Y1449 HydrophobicContact CE2-CE2 4.3Å; F1438-Y1449 AromaticContact CE2-CG 3.51Å; F1438-Y1449 HydrophobicContact CE2-CG 3.51Å; F1438-Y1449 AromaticContact CZ-CD1 3.91Å; F1438-Y1449 HydrophobicContact CZ-CD1 3.91Å; F1438-Y1449 AromaticContact CZ-CD2 3.47Å; F1438-Y1449 HydrophobicContact CZ-CD2 3.47Å; F1438-Y1449 VanDerWaalsContact CZ-CD2 3.47Å; F1438-Y1449 HydrophobicContact CZ-CE1 4.04Å; F1438-Y1449 AromaticContact CZ-CE2 3.6Å; F1438-Y1449 HydrophobicContact CZ-CE2 3.6Å; F1438-Y1449 AromaticContact CZ-CG 3.62Å; F1438-Y1449 HydrophobicContact CZ-CG 3.62Å; F1438-Y1449 AromaticContact CZ-CZ 3.88Å |
| 1439 | P | 77.3 | Confident | 83.8 | Confident | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -67.7 | 11.3 | -179.3 | -22.1 | 35 | 0 | 0 | 0 | 116.4 | F1446 | P1439-F1446 HydrophobicContact CG-CZ 4.2Š|
| 1440 | S | 74.4 | Confident | 83.7 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -145.8 | 128.4 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | F1438 K1442 F1443 | F1438-S1440 PolarHBondContact O-N 2.96Å; S1440-K1442 PolarHBondContact O-N 2.73Å; S1440-F1443 PolarHBondContact O-N 3.17Å |
| 1441 | D | 75.3 | Confident | 83.6 | Confident | 172 Ų | 172 | 59.3 Ų | 59.3 | 92% | 0.92 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.2 | -175 | -60.4 | -33.5 | 0 | 0 | 0 | 114.3 | F1443 | D1441-F1443 PolarHBondContact O-N 3.46Š|
| 1442 | K | 75.8 | Confident | 83.5 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.9 | 173.2 | -64.7 | -174.7 | 178.4 | -177.5 | 0 | 113.1 | S1440 H1523 | S1440-K1442 PolarHBondContact O-N 2.73Å; K1442-H1523 PolarHBondContact NZ-CD2 2.89Å; K1442-H1523 PolarHBondContact NZ-NE2 2.84Å |
| 1443 | F | 81.2 | Confident | 83.2 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -134.2 | 127.1 | -179.5 | -57.8 | -84.1 | 0 | 0 | 0 | 112.1 | F1438 S1440 D1441 N1445 Y1449 N1452 | F1438-F1443 HydrophobicContact CB-CB 4.12Å; F1438-F1443 WeakPolarHBondContact CB-O 3.49Å; F1438-F1443 HydrophobicContact CD1-CB 4Å; F1438-F1443 HydrophobicContact CD1-CD2 4.04Å; F1438-F1443 HydrophobicContact CD1-CG 4.45Å; F1438-F1443 HydrophobicContact CE1-CD2 4.1Å; F1438-F1443 HydrophobicContact CG-CB 4.17Å; S1440-F1443 PolarHBondContact O-N 3.17Å; D1441-F1443 PolarHBondContact O-N 3.46Å; F1443-N1445 VanDerWaalsContact C-N 3.32Å; F1443-N1445 PolarHBondContact O-N 3.2Å; F1443-Y1449 HydrophobicContact CD1-CD2 4.26Å; F1443-Y1449 AromaticContact CD2-CD2 3.75Å; F1443-Y1449 HydrophobicContact CD2-CD2 3.75Å; F1443-Y1449 HydrophobicContact CE1-CD2 4.33Å; F1443-Y1449 AromaticContact CE2-CD2 3.83Å; F1443-Y1449 HydrophobicContact CE2-CD2 3.83Å; F1443-Y1449 HydrophobicContact CE2-CE2 4.3Å; F1443-Y1449 AromaticContact CG-CD2 3.98Å; F1443-Y1449 HydrophobicContact CG-CD2 3.98Å; F1443-Y1449 HydrophobicContact CZ-CD2 4.12Å; F1443-N1452 HydrophobicContact CD1-CB 4.39Å; F1443-N1452 HydrophobicContact CE1-CB 4.06Å |
| 1444 | R | 81.4 | Confident | 82.8 | Confident | 222 Ų | 222 | 64.6 Ų | 64.6 | 84% | 0.838 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -60.6 | -36.1 | -175.3 | -177.9 | 176.1 | 177.3 | -177.2 | 0.2 | 114.1 | P1437 | P1437-R1444 WeakPolarHBondContact CA-O 3.5Š|
| 1445 | N | 88.6 | Confident | 82.4 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -161.4 | 170.9 | 178.7 | 55.6 | 18.6 | 0 | 0 | 0 | 110.9 | L1435 S1436 F1443 A1447 A1448 Y1449 | L1435-N1445 VanDerWaalsContact O-CB 3.25Å; L1435-N1445 WeakPolarHBondContact O-CB 3.42Å; L1435-N1445 PolarHBondContact O-ND2 3.34Å; S1436-N1445 WeakPolarHBondContact O-CA 3.36Å; S1436-N1445 WeakPolarHBondContact O-CB 3.49Å; F1443-N1445 VanDerWaalsContact C-N 3.32Å; F1443-N1445 PolarHBondContact O-N 3.2Å; N1445-A1447 VanDerWaalsContact C-N 3.3Å; N1445-A1447 PolarHBondContact O-N 3.02Å; N1445-A1448 PolarHBondContact O-N 3.22Å; N1445-A1448 VanDerWaalsContact O-N 3.15Å; N1445-A1448 VanDerWaalsContact OD1-CB 3.23Å; N1445-A1448 WeakPolarHBondContact OD1-CB 3.43Å; N1445-A1448 PolarHBondContact OD1-N 3.44Å; N1445-Y1449 PolarHBondContact O-N 3.14Å |
| 1446 | F | 87.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.4 | -41.1 | 179.5 | -73.2 | -89.1 | 0 | 0 | 0 | 112.6 | M1432 P1434 S1436 P1437 F1438 P1439 A1448 Y1449 Y1450 L1465 L1533 | M1432-F1446 HydrophobicContact CE-CE2 3.96Å; P1434-F1446 PolarHBondContact O-N 2.92Å; S1436-F1446 WeakPolarHBondContact O-CD2 3.42Å; S1436-F1446 PolarHBondContact O-N 3.17Å; P1437-F1446 WeakPolarHBondContact O-CE2 3.45Å; F1438-F1446 AromaticContact CD2-CD1 3.58Å; F1438-F1446 HydrophobicContact CD2-CD1 3.58Å; F1438-F1446 HydrophobicContact CD2-CD2 4.43Å; F1438-F1446 AromaticContact CD2-CE1 3.67Å; F1438-F1446 HydrophobicContact CD2-CE1 3.67Å; F1438-F1446 HydrophobicContact CD2-CE2 4.49Å; F1438-F1446 AromaticContact CD2-CG 3.99Å; F1438-F1446 HydrophobicContact CD2-CG 3.99Å; F1438-F1446 HydrophobicContact CD2-CZ 4.14Å; F1438-F1446 AromaticContact CE2-CD1 3.81Å; F1438-F1446 HydrophobicContact CE2-CD1 3.81Å; F1438-F1446 AromaticContact CE2-CE1 3.8Å; F1438-F1446 HydrophobicContact CE2-CE1 3.8Å; P1439-F1446 HydrophobicContact CG-CZ 4.2Å; F1446-A1448 PolarHBondContact O-N 3.03Å; F1446-Y1449 WeakPolarHBondContact O-CB 3.28Å; F1446-Y1449 PolarHBondContact O-N 3.03Å; F1446-Y1449 VanDerWaalsContact O-N 3.15Å; F1446-Y1450 HydrophobicContact CB-CD2 4.36Å; F1446-Y1450 HydrophobicContact CB-CE2 4.22Å; F1446-Y1450 HydrophobicContact CD1-CE2 4.13Å; F1446-Y1450 WeakPolarHBondContact O-CD2 3.49Å; F1446-Y1450 PolarHBondContact O-N 3.37Å; F1446-L1465 HydrophobicContact CD1-CD1 4.41Å; F1446-L1465 HydrophobicContact CD2-CD1 3.65Å; F1446-L1465 HydrophobicContact CE1-CD1 4.37Å; F1446-L1465 HydrophobicContact CE2-CD1 3.6Å; F1446-L1465 HydrophobicContact CG-CD1 4.08Å; F1446-L1465 HydrophobicContact CZ-CD1 3.98Å; F1446-L1533 HydrophobicContact CE1-CB 3.83Å; F1446-L1533 HydrophobicContact CE2-CD1 4.46Å; F1446-L1533 HydrophobicContact CZ-CB 3.82Å; F1446-L1533 HydrophobicContact CZ-CD1 3.82Å; F1446-L1533 HydrophobicContact CZ-CG 4.48Å |
| 1447 | A | 85.2 | Confident | 81.6 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 7% | 0.066 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1434 N1445 Y1449 Y1450 I1451 I1458 | P1434-A1447 HydrophobicContact CB-CB 4.21Å; P1434-A1447 WeakPolarHBondContact O-CB 3.37Å; P1434-A1447 PolarHBondContact O-N 3.28Å; N1445-A1447 VanDerWaalsContact C-N 3.3Å; N1445-A1447 PolarHBondContact O-N 3.02Å; A1447-Y1449 VanDerWaalsContact C-N 3.33Å; A1447-Y1449 PolarHBondContact O-N 3.13Å; A1447-Y1450 PolarHBondContact O-N 2.97Å; A1447-I1451 WeakPolarHBondContact O-CB 3.38Å; A1447-I1451 VanDerWaalsContact O-CG1 3.25Å; A1447-I1451 WeakPolarHBondContact O-CG1 3.39Å; A1447-I1451 PolarHBondContact O-N 3.21Å; A1447-I1458 HydrophobicContact CB-CD1 4.29Å |
| 1448 | A | 84.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1445 F1446 N1452 | N1445-A1448 PolarHBondContact O-N 3.22Å; N1445-A1448 VanDerWaalsContact O-N 3.15Å; N1445-A1448 VanDerWaalsContact OD1-CB 3.23Å; N1445-A1448 WeakPolarHBondContact OD1-CB 3.43Å; N1445-A1448 PolarHBondContact OD1-N 3.44Å; F1446-A1448 PolarHBondContact O-N 3.03Å; A1448-N1452 WeakPolarHBondContact O-CB 3.3Å; A1448-N1452 PolarHBondContact O-N 2.79Å; A1448-N1452 PolarHBondContact O-ND2 3.36Å; A1448-N1452 PolarHBondContact O-OD1 2.85Å |
| 1449 | Y | 86.9 | Confident | 81.1 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 13% | 0.129 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -50.4 | 174.1 | 170.4 | -101.1 | 0 | 0 | 0 | 112.3 | F1438 F1443 N1445 F1446 A1447 N1452 K1453 Y1454 | F1438-Y1449 HydrophobicContact CD1-CD2 4.49Å; F1438-Y1449 HydrophobicContact CD2-CD1 4.41Å; F1438-Y1449 HydrophobicContact CD2-CG 4.06Å; F1438-Y1449 AromaticContact CE1-CD2 3.81Å; F1438-Y1449 HydrophobicContact CE1-CD2 3.81Å; F1438-Y1449 HydrophobicContact CE1-CE2 4.1Å; F1438-Y1449 HydrophobicContact CE1-CG 4.24Å; F1438-Y1449 AromaticContact CE2-CD1 3.61Å; F1438-Y1449 HydrophobicContact CE2-CD1 3.61Å; F1438-Y1449 AromaticContact CE2-CD2 3.9Å; F1438-Y1449 HydrophobicContact CE2-CD2 3.9Å; F1438-Y1449 HydrophobicContact CE2-CE1 4.05Å; F1438-Y1449 HydrophobicContact CE2-CE2 4.3Å; F1438-Y1449 AromaticContact CE2-CG 3.51Å; F1438-Y1449 HydrophobicContact CE2-CG 3.51Å; F1438-Y1449 AromaticContact CZ-CD1 3.91Å; F1438-Y1449 HydrophobicContact CZ-CD1 3.91Å; F1438-Y1449 AromaticContact CZ-CD2 3.47Å; F1438-Y1449 HydrophobicContact CZ-CD2 3.47Å; F1438-Y1449 VanDerWaalsContact CZ-CD2 3.47Å; F1438-Y1449 HydrophobicContact CZ-CE1 4.04Å; F1438-Y1449 AromaticContact CZ-CE2 3.6Å; F1438-Y1449 HydrophobicContact CZ-CE2 3.6Å; F1438-Y1449 AromaticContact CZ-CG 3.62Å; F1438-Y1449 HydrophobicContact CZ-CG 3.62Å; F1438-Y1449 AromaticContact CZ-CZ 3.88Å; F1443-Y1449 HydrophobicContact CD1-CD2 4.26Å; F1443-Y1449 AromaticContact CD2-CD2 3.75Å; F1443-Y1449 HydrophobicContact CD2-CD2 3.75Å; F1443-Y1449 HydrophobicContact CE1-CD2 4.33Å; F1443-Y1449 AromaticContact CE2-CD2 3.83Å; F1443-Y1449 HydrophobicContact CE2-CD2 3.83Å; F1443-Y1449 HydrophobicContact CE2-CE2 4.3Å; F1443-Y1449 AromaticContact CG-CD2 3.98Å; F1443-Y1449 HydrophobicContact CG-CD2 3.98Å; F1443-Y1449 HydrophobicContact CZ-CD2 4.12Å; N1445-Y1449 PolarHBondContact O-N 3.14Å; F1446-Y1449 WeakPolarHBondContact O-CB 3.28Å; F1446-Y1449 PolarHBondContact O-N 3.03Å; F1446-Y1449 VanDerWaalsContact O-N 3.15Å; A1447-Y1449 VanDerWaalsContact C-N 3.33Å; A1447-Y1449 PolarHBondContact O-N 3.13Å; Y1449-N1452 PolarHBondContact O-N 2.99Å; Y1449-K1453 HydrophobicContact CE2-CB 4.47Å; Y1449-K1453 HydrophobicContact CE2-CD 4.32Å; Y1449-K1453 PolarHBondContact O-N 2.69Å; Y1449-Y1454 HydrophobicContact CE1-CD2 4.4Å; Y1449-Y1454 AromaticContact CE1-CE2 3.85Å; Y1449-Y1454 HydrophobicContact CE1-CE2 3.85Å; Y1449-Y1454 AromaticContact CZ-CE2 3.78Å |
| 1450 | Y | 85.3 | Confident | 81.3 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | -177.9 | -72.9 | -62.7 | 0 | 0 | 0 | 112.8 | Y1414 F1446 A1447 Y1454 N1455 A1456 I1458 V1535 L1538 | Y1414-Y1450 HydrophobicContact CD1-CE1 4.36Å; Y1414-Y1450 HydrophobicContact CD2-CE1 4.44Å; Y1414-Y1450 HydrophobicContact CE1-CD1 4.44Å; Y1414-Y1450 AromaticContact CE1-CE1 3.76Å; Y1414-Y1450 HydrophobicContact CE1-CE1 3.76Å; Y1414-Y1450 HydrophobicContact CE2-CD1 4.43Å; Y1414-Y1450 AromaticContact CE2-CE1 3.85Å; Y1414-Y1450 HydrophobicContact CE2-CE1 3.85Å; Y1414-Y1450 AromaticContact CZ-CE1 3.49Å; Y1414-Y1450 VanDerWaalsContact CZ-CE1 3.49Å; F1446-Y1450 HydrophobicContact CB-CD2 4.36Å; F1446-Y1450 HydrophobicContact CB-CE2 4.22Å; F1446-Y1450 HydrophobicContact CD1-CE2 4.13Å; F1446-Y1450 WeakPolarHBondContact O-CD2 3.49Å; F1446-Y1450 PolarHBondContact O-N 3.37Å; A1447-Y1450 PolarHBondContact O-N 2.97Å; Y1450-Y1454 HydrophobicContact CD1-CD2 4.17Å; Y1450-Y1454 CarbonylContact O-C 3.52Å; Y1450-Y1454 WeakPolarHBondContact O-CA 3.48Å; Y1450-Y1454 PolarHBondContact O-N 2.86Å; Y1450-Y1454 VanDerWaalsContact O-N 3.17Å; Y1450-N1455 PolarHBondContact O-N 3.07Å; Y1450-A1456 PolarHBondContact O-N 3.2Å; Y1450-I1458 HydrophobicContact CD2-CD1 4.02Å; Y1450-V1535 HydrophobicContact CD2-CG2 3.87Å; Y1450-V1535 HydrophobicContact CE2-CB 4.34Å; Y1450-V1535 HydrophobicContact CE2-CG2 3.5Å; Y1450-V1535 VanDerWaalsContact CE2-CG2 3.5Å; Y1450-L1538 HydrophobicContact CD1-CD1 3.63Å; Y1450-L1538 HydrophobicContact CD2-CD1 3.94Å; Y1450-L1538 HydrophobicContact CE1-CD1 4.18Å; Y1450-L1538 HydrophobicContact CE2-CD1 4.47Å; Y1450-L1538 HydrophobicContact CG-CD1 3.51Å |
| 1451 | I | 82.2 | Confident | 81.7 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.2 | -48.1 | 173.3 | -66 | 168.6 | 0 | 0 | 0 | 110.7 | A1447 N1455 A1456 L1457 | A1447-I1451 WeakPolarHBondContact O-CB 3.38Å; A1447-I1451 VanDerWaalsContact O-CG1 3.25Å; A1447-I1451 WeakPolarHBondContact O-CG1 3.39Å; A1447-I1451 PolarHBondContact O-N 3.21Å; I1451-N1455 WeakPolarHBondContact O-CA 3.41Å; I1451-N1455 PolarHBondContact O-N 3.37Å; I1451-A1456 WeakPolarHBondContact CG1-O 3.48Å; I1451-L1457 HydrophobicContact CD1-CD2 3.98Å; I1451-L1457 HydrophobicContact CG1-CD2 4.14Å |
| 1452 | N | 81.6 | Confident | 82.1 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.3 | -37.3 | -172.9 | -65.4 | -0.8 | 0 | 0 | 0 | 113.8 | F1443 A1448 Y1449 | F1443-N1452 HydrophobicContact CD1-CB 4.39Å; F1443-N1452 HydrophobicContact CE1-CB 4.06Å; A1448-N1452 WeakPolarHBondContact O-CB 3.3Å; A1448-N1452 PolarHBondContact O-N 2.79Å; A1448-N1452 PolarHBondContact O-ND2 3.36Å; A1448-N1452 PolarHBondContact O-OD1 2.85Å; Y1449-N1452 PolarHBondContact O-N 2.99Å |
| 1453 | K | 81.7 | Confident | 82.7 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -93.2 | -27.3 | -178.3 | -173.5 | 155.2 | -177.6 | 149.1 | 0 | 114.1 | Y1449 | Y1449-K1453 HydrophobicContact CE2-CB 4.47Å; Y1449-K1453 HydrophobicContact CE2-CD 4.32Å; Y1449-K1453 PolarHBondContact O-N 2.69Å |
| 1454 | Y | 79.6 | Confident | 83.1 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -127.2 | 3.1 | -175.4 | -57.5 | -76.5 | 0 | 0 | 0 | 114.5 | Y1414 Y1449 Y1450 A1456 | Y1414-Y1454 AromaticContact CD2-CD1 3.87Å; Y1414-Y1454 HydrophobicContact CD2-CD1 3.87Å; Y1414-Y1454 AromaticContact CD2-CD2 3.74Å; Y1414-Y1454 HydrophobicContact CD2-CD2 3.74Å; Y1414-Y1454 AromaticContact CD2-CE1 3.96Å; Y1414-Y1454 HydrophobicContact CD2-CE1 3.96Å; Y1414-Y1454 AromaticContact CD2-CE2 3.82Å; Y1414-Y1454 HydrophobicContact CD2-CE2 3.82Å; Y1414-Y1454 AromaticContact CD2-CG 3.76Å; Y1414-Y1454 HydrophobicContact CD2-CG 3.76Å; Y1414-Y1454 AromaticContact CD2-CZ 3.94Å; Y1414-Y1454 HydrophobicContact CE2-CD2 4.08Å; Y1414-Y1454 HydrophobicContact CE2-CE1 4.42Å; Y1414-Y1454 AromaticContact CE2-CE2 3.77Å; Y1414-Y1454 HydrophobicContact CE2-CE2 3.77Å; Y1414-Y1454 AromaticContact CE2-CZ 3.96Å; Y1414-Y1454 HydrophobicContact CG-CG 4.49Å; Y1449-Y1454 HydrophobicContact CE1-CD2 4.4Å; Y1449-Y1454 AromaticContact CE1-CE2 3.85Å; Y1449-Y1454 HydrophobicContact CE1-CE2 3.85Å; Y1449-Y1454 AromaticContact CZ-CE2 3.78Å; Y1450-Y1454 HydrophobicContact CD1-CD2 4.17Å; Y1450-Y1454 CarbonylContact O-C 3.52Å; Y1450-Y1454 WeakPolarHBondContact O-CA 3.48Å; Y1450-Y1454 PolarHBondContact O-N 2.86Å; Y1450-Y1454 VanDerWaalsContact O-N 3.17Å; Y1454-A1456 PolarHBondContact O-N 3.49Å; Y1454-A1456 VanDerWaalsContact O-N 3.08Å |
| 1455 | N | 79.9 | Confident | 83.5 | Confident | 130 Ų | 130 | 50.2 Ų | 50.2 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | trans | 52.8 | 25.6 | -174.1 | -157 | 20.8 | 0 | 0 | 0 | 113.9 | Y1450 I1451 L1457 | Y1450-N1455 PolarHBondContact O-N 3.07Å; I1451-N1455 WeakPolarHBondContact O-CA 3.41Å; I1451-N1455 PolarHBondContact O-N 3.37Å; N1455-L1457 PolarHBondContact O-N 3.46Å | ||
| 1456 | A | 78.8 | Confident | 83.5 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | trans | -90.3 | 101.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y1450 I1451 Y1454 L1538 | Y1450-A1456 PolarHBondContact O-N 3.2Å; I1451-A1456 WeakPolarHBondContact CG1-O 3.48Å; Y1454-A1456 PolarHBondContact O-N 3.49Å; Y1454-A1456 VanDerWaalsContact O-N 3.08Å; A1456-L1538 HydrophobicContact CB-CD1 4.12Å; A1456-L1538 HydrophobicContact CB-CD2 4.15Å | ||
| 1457 | L | 77.2 | Confident | 83.5 | Confident | 130 Ų | 130 | 49.6 Ų | 49.6 | 68% | 0.681 | 26% | 0.263 | S | S | * | . | trans | -73.6 | 123.5 | 175 | -73.1 | 166.1 | 0 | 0 | 0 | 110.8 | I1451 N1455 | I1451-L1457 HydrophobicContact CD1-CD2 3.98Å; I1451-L1457 HydrophobicContact CG1-CD2 4.14Å; N1455-L1457 PolarHBondContact O-N 3.46Å | ||
| 1458 | I | 80.8 | Confident | 83.4 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | trans | -91.4 | 120.2 | 174.8 | -61.4 | 173.7 | 0 | 0 | 0 | 108.3 | P1434 A1447 Y1450 V1535 E1537 L1538 | P1434-I1458 HydrophobicContact CB-CD1 3.86Å; P1434-I1458 HydrophobicContact CB-CG2 4.19Å; P1434-I1458 HydrophobicContact CG-CD1 4.21Å; P1434-I1458 HydrophobicContact CG-CG2 3.95Å; A1447-I1458 HydrophobicContact CB-CD1 4.29Å; Y1450-I1458 HydrophobicContact CD2-CD1 4.02Å; I1458-V1535 HydrophobicContact CD1-CG1 4.08Å; I1458-V1535 HydrophobicContact CD1-CG2 3.98Å; I1458-V1535 HydrophobicContact CG1-CG1 4.44Å; I1458-V1535 HydrophobicContact CG2-CG1 4.44Å; I1458-E1537 WeakPolarHBondContact CG2-OE2 2.82Å; I1458-L1538 HydrophobicContact CD1-CD1 4.27Å; I1458-L1538 HydrophobicContact CG1-CD1 4.06Å; I1458-L1538 HydrophobicContact CG1-CG 4.45Å | ||
| 1459 | T | 77.3 | Confident | 83.1 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -74.8 | -34.1 | 178.4 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | E1537 | T1459-E1537 WeakPolarHBondContact CA-OE1 3.4Å; T1459-E1537 WeakPolarHBondContact CB-OE1 3.37Å; T1459-E1537 VanDerWaalsContact CG2-OE1 3.29Å; T1459-E1537 WeakPolarHBondContact CG2-OE1 3.44Å; T1459-E1537 PolarHBondContact N-OE1 3.25Å; T1459-E1537 PolarHBondContact N-OE2 3.01Å; T1459-E1537 VanDerWaalsContact OG1-CD 3.25Å; T1459-E1537 PolarHBondContact OG1-OE1 2.85Å; T1459-E1537 PolarHBondContact OG1-OE2 3.16Å |
| 1460 | T | 82.7 | Confident | 82.6 | Confident | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | trans | -118.2 | 81.2 | -168 | -52.9 | 0 | 0 | 0 | 0 | 112 | I1397 F1398 N1462 Q1463 E1537 | I1397-T1460 HydrophobicContact CG2-CG2 4.41Å; I1397-T1460 VanDerWaalsContact CG2-OG1 3.32Å; I1397-T1460 WeakPolarHBondContact CG2-OG1 3.46Å; F1398-T1460 PolarHBondContact N-OG1 3Å; F1398-T1460 WeakPolarHBondContact O-CG2 3.27Å; F1398-T1460 PolarHBondContact O-OG1 3.14Å; T1460-N1462 PolarHBondContact O-N 3.11Å; T1460-Q1463 HydrophobicContact CG2-CB 4.36Å; T1460-Q1463 WeakPolarHBondContact O-CG 3.42Å; T1460-Q1463 PolarHBondContact O-N 3.38Å; T1460-Q1463 VanDerWaalsContact O-N 3.12Å; T1460-Q1463 PolarHBondContact O-NE2 2.85Å; T1460-E1537 PolarHBondContact N-OE2 3.15Å; T1460-E1537 VanDerWaalsContact N-OE2 3.13Å | ||
| 1461 | N | 82.4 | Confident | 82 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.4 | -175.9 | -75.9 | -48.7 | 0 | 0 | 0 | 116.1 | S1433 L1435 | S1433-N1461 WeakPolarHBondContact CB-O 3.42Å; S1433-N1461 PolarHBondContact OG-O 2.94Å; L1435-N1461 HydrophobicContact CD1-CB 3.96Å; L1435-N1461 HydrophobicContact CD2-CB 4.31Å; L1435-N1461 HydrophobicContact CG-CB 3.95Å |
| 1462 | N | 83.8 | Confident | 81 | Confident | 144 Ų | 144 | 50.2 Ų | 50.2 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6 | 177.7 | -68.4 | 14.5 | 0 | 0 | 0 | 113.3 | T1460 | T1460-N1462 PolarHBondContact O-N 3.11Š|
| 1463 | Q | 88.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68 | 150.1 | 172.6 | 76.9 | -166.6 | -92.5 | 0 | 0 | 110.9 | F1400 S1433 P1434 T1460 V1535 P1536 E1537 | F1400-Q1463 HydrophobicContact CB-CB 4.2Å; S1433-Q1463 WeakPolarHBondContact CA-O 3.01Å; S1433-Q1463 WeakPolarHBondContact CB-O 3.38Å; P1434-Q1463 WeakPolarHBondContact CD-O 3.32Å; P1434-Q1463 HydrophobicContact CG-CG 3.84Å; T1460-Q1463 HydrophobicContact CG2-CB 4.36Å; T1460-Q1463 WeakPolarHBondContact O-CG 3.42Å; T1460-Q1463 PolarHBondContact O-N 3.38Å; T1460-Q1463 VanDerWaalsContact O-N 3.12Å; T1460-Q1463 PolarHBondContact O-NE2 2.85Å; Q1463-V1535 HydrophobicContact CG-CG1 4.38Å; Q1463-V1535 VanDerWaalsContact OE1-CG1 3.28Å; Q1463-P1536 VanDerWaalsContact OE1-CD 3.27Å; Q1463-E1537 PolarHBondContact NE2-OE2 3.33Å; Q1463-E1537 VanDerWaalsContact OE1-CB 3.24Å |
| 1464 | P | 89.5 | Confident | 79.6 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 164.5 | 174.4 | 32.3 | -36.4 | 0 | 0 | 0 | 112 | F1400 I1428 R1429 N1430 M1432 P1536 | F1400-P1464 VanDerWaalsContact CD1-CD 3.49Å; F1400-P1464 HydrophobicContact CD1-CG 3.37Å; F1400-P1464 HydrophobicContact CD2-CG 4.16Å; F1400-P1464 HydrophobicContact CE1-CG 3.26Å; F1400-P1464 HydrophobicContact CE2-CG 4.06Å; F1400-P1464 HydrophobicContact CG-CG 3.83Å; F1400-P1464 HydrophobicContact CZ-CG 3.62Å; I1428-P1464 HydrophobicContact CG2-CB 4.12Å; I1428-P1464 HydrophobicContact CG2-CG 3.98Å; R1429-P1464 WeakPolarHBondContact O-CB 3.31Å; N1430-P1464 WeakPolarHBondContact OD1-CB 3.3Å; M1432-P1464 CarbonylContact O-C 3.59Å; M1432-P1464 WeakPolarHBondContact O-CA 3.48Å; P1464-P1536 WeakPolarHBondContact O-CD 3.27Å; P1464-P1536 WeakPolarHBondContact O-CG 3.47Å |
| 1465 | L | 90.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 156.3 | 172.1 | -60.3 | -175.8 | 0 | 0 | 0 | 112.1 | R1429 M1432 P1434 F1446 L1533 V1535 | R1429-L1465 PolarHBondContact N-O 3.12Å; R1429-L1465 PolarHBondContact O-N 3Å; M1432-L1465 HydrophobicContact CB-CB 4.38Å; M1432-L1465 HydrophobicContact CB-CD1 3.84Å; M1432-L1465 HydrophobicContact CB-CG 4.11Å; M1432-L1465 HydrophobicContact CE-CD1 4.29Å; M1432-L1465 PolarHBondContact O-N 3.22Å; M1432-L1465 VanDerWaalsContact O-N 3.14Å; P1434-L1465 HydrophobicContact CG-CD2 4.46Å; F1446-L1465 HydrophobicContact CD1-CD1 4.41Å; F1446-L1465 HydrophobicContact CD2-CD1 3.65Å; F1446-L1465 HydrophobicContact CE1-CD1 4.37Å; F1446-L1465 HydrophobicContact CE2-CD1 3.6Å; F1446-L1465 HydrophobicContact CG-CD1 4.08Å; F1446-L1465 HydrophobicContact CZ-CD1 3.98Å; L1465-L1533 HydrophobicContact CB-CD2 4.36Å; L1465-L1533 HydrophobicContact CD1-CB 4.39Å; L1465-V1535 HydrophobicContact CD2-CG2 3.71Å |
| 1466 | L | 88.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121 | 175.1 | -53.2 | 177 | 0 | 0 | 0 | 109.8 | F1400 F1405 V1425 I1428 V1468 L1533 L1534 P1536 | F1400-L1466 HydrophobicContact CE2-CD2 4.37Å; F1405-L1466 HydrophobicContact CB-CD2 4.22Å; F1405-L1466 HydrophobicContact CD1-CD1 3.75Å; F1405-L1466 HydrophobicContact CD1-CD2 4.37Å; F1405-L1466 HydrophobicContact CE1-CD1 4.12Å; F1405-L1466 HydrophobicContact CG-CD2 4.43Å; V1425-L1466 HydrophobicContact CG1-CD2 4.08Å; V1425-L1466 HydrophobicContact CG2-CD1 4.18Å; I1428-L1466 HydrophobicContact CG1-CD2 4.01Å; L1466-V1468 HydrophobicContact CB-CG1 3.69Å; L1466-L1533 WeakPolarHBondContact O-CA 3.48Å; L1466-L1534 PolarHBondContact N-O 3.35Å; L1466-L1534 PolarHBondContact O-N 3.39Å; L1466-P1536 HydrophobicContact CD1-CB 4.3Å; L1466-P1536 HydrophobicContact CD1-CG 4.19Å; L1466-P1536 HydrophobicContact CD2-CG 4.05Å; L1466-P1536 HydrophobicContact CG-CB 4.5Å; L1466-P1536 HydrophobicContact CG-CG 3.86Å |
| 1467 | D | 86.9 | Confident | 79.8 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.6 | 164.9 | -170.9 | -1 | 0 | 0 | 0 | 107.4 | A1426 I1427 R1429 K1531 L1533 | A1426-D1467 WeakPolarHBondContact CB-O 3.39Å; A1426-D1467 PolarHBondContact N-O 3.42Å; I1427-D1467 HydrophobicContact CB-CB 4.26Å; I1427-D1467 PolarHBondContact N-O 3.36Å; I1427-D1467 PolarHBondContact O-N 2.87Å; R1429-D1467 HydrophobicContact CG-CB 4.44Å; D1467-K1531 WeakPolarHBondContact OD2-CD 3.48Å; D1467-K1531 IonicContact OD2-NZ 2.7Å; D1467-K1531 PolarHBondContact OD2-NZ 2.84Å; D1467-L1533 HydrophobicContact CB-CD2 4.03Å |
| 1468 | V | 83.7 | Confident | 80.1 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.6 | -168.6 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | V1410 Y1423 Y1424 L1466 Q1532 L1534 | V1410-V1468 HydrophobicContact CG2-CG1 4.22Å; Y1423-V1468 HydrophobicContact CD1-CB 4.46Å; Y1423-V1468 HydrophobicContact CD1-CG2 3.64Å; Y1423-V1468 HydrophobicContact CD2-CG2 4.45Å; Y1423-V1468 HydrophobicContact CE1-CG2 4.41Å; Y1423-V1468 HydrophobicContact CG-CB 4.29Å; Y1423-V1468 HydrophobicContact CG-CG2 3.68Å; Y1424-V1468 CarbonylContact O-C 3.55Å; Y1424-V1468 VanDerWaalsContact O-CA 3.26Å; Y1424-V1468 WeakPolarHBondContact O-CA 3.39Å; Y1424-V1468 WeakPolarHBondContact O-CB 3.44Å; L1466-V1468 HydrophobicContact CB-CG1 3.69Å; V1468-Q1532 WeakPolarHBondContact CG2-O 3.38Å; V1468-Q1532 PolarHBondContact N-O 2.95Å; V1468-L1534 HydrophobicContact CG1-CD1 4.25Å; V1468-L1534 HydrophobicContact CG1-CG 4.43Å; V1468-L1534 HydrophobicContact CG2-CD1 3.73Å; V1468-L1534 HydrophobicContact CG2-CG 3.9Å |
| 1469 | D | 78.3 | Confident | 80 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.2 | 178.2 | -172.9 | 23.8 | 0 | 0 | 0 | 112.4 | R1184 R1215 Y1423 Y1424 T1471 | R1184-D1469 IonicContact CZ-OD1 2.86Å; R1184-D1469 IonicContact CZ-OD2 3.85Å; R1184-D1469 IonicContact NH1-OD1 2.89Å; R1184-D1469 PolarHBondContact NH1-OD1 2.7Å; R1184-D1469 IonicContact NH1-OD2 3.75Å; R1184-D1469 PolarHBondContact NH1-OD2 2.92Å; R1184-D1469 VanDerWaalsContact NH2-CG 3.34Å; R1184-D1469 IonicContact NH2-OD1 3.26Å; R1184-D1469 PolarHBondContact NH2-OD1 3.41Å; R1184-D1469 IonicContact NH2-OD2 2.71Å; R1215-D1469 IonicContact CZ-OD2 3.71Å; R1215-D1469 IonicContact NH1-OD1 2.78Å; R1215-D1469 PolarHBondContact NH1-OD1 2.96Å; R1215-D1469 IonicContact NH1-OD2 3.41Å; R1215-D1469 PolarHBondContact NH1-OD2 3Å; Y1423-D1469 CarbonylContact C-O 3.57Å; Y1423-D1469 VanDerWaalsContact CA-O 3.23Å; Y1423-D1469 WeakPolarHBondContact CA-O 3.49Å; Y1424-D1469 HydrophobicContact CD2-CB 4.41Å; Y1424-D1469 PolarHBondContact N-O 2.93Å; Y1424-D1469 PolarHBondContact O-N 3.08Å; D1469-T1471 PolarHBondContact O-N 3.49Å |
| 1470 | L | 76.5 | Confident | 79.7 | Confident | 52 Ų | 52 | 32.2 Ų | 32.2 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 126.8 | -177 | -169.5 | 73.7 | 0 | 0 | 0 | 111 | R1215 Y1423 L1473 | R1215-L1470 VanDerWaalsContact CZ-O 3.23Å; R1215-L1470 PolarHBondContact NH1-O 3.11Å; R1215-L1470 PolarHBondContact NH2-O 3.4Å; Y1423-L1470 HydrophobicContact CD1-CB 4.26Å; Y1423-L1470 HydrophobicContact CD1-CD1 4Å; Y1423-L1470 HydrophobicContact CE1-CB 4.28Å; Y1423-L1470 HydrophobicContact CE1-CD1 3.48Å; Y1423-L1470 VanDerWaalsContact CE1-CD1 3.48Å; L1470-L1473 HydrophobicContact CD2-CD2 3.91Å; L1470-L1473 HydrophobicContact CD2-CG 4.16Å |
| 1471 | T | 72.4 | Confident | 78.8 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -66 | -49.8 | -174.9 | 50 | 0 | 0 | 0 | 0 | 113.7 | R1215 V1409 Y1422 Y1424 D1469 | R1215-T1471 PolarHBondContact NH2-O 2.89Å; V1409-T1471 HydrophobicContact CG1-CG2 4.24Å; Y1422-T1471 WeakPolarHBondContact O-CB 3.45Å; Y1422-T1471 VanDerWaalsContact O-CG2 3.28Å; Y1422-T1471 WeakPolarHBondContact O-CG2 3.44Å; Y1422-T1471 PolarHBondContact O-N 3.35Å; Y1422-T1471 PolarHBondContact O-OG1 3.03Å; Y1424-T1471 HydrophobicContact CD1-CG2 3.99Å; Y1424-T1471 HydrophobicContact CD2-CG2 4.21Å; Y1424-T1471 HydrophobicContact CE1-CG2 3.81Å; Y1424-T1471 HydrophobicContact CE2-CG2 4.03Å; Y1424-T1471 HydrophobicContact CG-CG2 4.19Å; D1469-T1471 PolarHBondContact O-N 3.49Å |
| 1472 | V | 61.4 | Low | 77.7 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 38% | 0.382 | 17% | 0.171 | S | C | . | . | trans | -105.2 | 130.6 | -171.4 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1473 | L | 61.8 | Low | 76.3 | Confident | 133 Ų | 133 | 31.6 Ų | 31.6 | 70% | 0.696 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -150.5 | -29.4 | 168.2 | -80.5 | 179.8 | 0 | 0 | 0 | 112.5 | L1470 | L1470-L1473 HydrophobicContact CD2-CD2 3.91Å; L1470-L1473 HydrophobicContact CD2-CG 4.16Å |
| 1474 | R | 71.3 | Confident | 74.1 | Confident | 78 Ų | 78 | 35.3 Ų | 35.3 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | trans | -157.7 | 125.2 | -175.3 | 179.3 | 177.1 | 177.6 | 153.8 | 7.7 | 109.9 | N1476 N1484 | R1474-N1476 WeakPolarHBondContact CG-O 3.35Å; R1474-N1476 PolarHBondContact NE-O 3.19Å; R1474-N1484 VanDerWaalsContact NH1-CG 3.33Å; R1474-N1484 PolarHBondContact NH1-OD1 3.38Å | ||
| 1475 | L | 77.5 | Confident | 71.8 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -103.9 | -19.7 | 177.3 | -68.3 | 177.7 | 0 | 0 | 0 | 113.9 | F1269 L1477 V1553 S1557 P2031 H2032 | F1269-L1475 HydrophobicContact CZ-CD1 4.45Å; L1475-L1477 PolarHBondContact O-N 2.84Å; L1475-V1553 HydrophobicContact CD2-CG1 4Å; L1475-S1557 PolarHBondContact O-OG 2.86Å; L1475-P2031 HydrophobicContact CB-CG 3.82Å; L1475-P2031 HydrophobicContact CD1-CB 4.42Å; L1475-H2032 WeakPolarHBondContact CD1-NE2 3.15Å | ||
| 1476 | N | 81.6 | Confident | 69.1 | Low | 17 Ų | 17 | 46.7 Ų | 46.7 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -80.2 | 103.8 | 168.5 | 175.3 | -19.6 | 0 | 0 | 0 | 109 | R1474 L1478 F2029 | R1474-N1476 WeakPolarHBondContact CG-O 3.35Å; R1474-N1476 PolarHBondContact NE-O 3.19Å; N1476-L1478 PolarHBondContact OD1-N 2.95Å; N1476-L1478 VanDerWaalsContact OD1-N 3.12Å; N1476-F2029 HydrophobicContact CB-CD1 3.89Å; N1476-F2029 HydrophobicContact CB-CE1 4.48Å; N1476-F2029 WeakPolarHBondContact CB-O 3.45Å; N1476-F2029 PolarHBondContact ND2-O 3.3Å | ||
| 1477 | L | 84 | Confident | 66.5 | Low | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | trans | -106.8 | 18.7 | -179.7 | -55 | -179.3 | 0 | 0 | 0 | 112.1 | I1212 F1213 L1475 C1554 S1557 | I1212-L1477 HydrophobicContact CB-CB 4.49Å; I1212-L1477 HydrophobicContact CD1-CD1 4.44Å; F1213-L1477 PolarHBondContact N-O 3.14Å; L1475-L1477 PolarHBondContact O-N 2.84Å; L1477-C1554 HydrophobicContact CD1-CB 4.08Å; L1477-C1554 VanDerWaalsContact CD1-SG 3.53Å; L1477-S1557 PolarHBondContact N-OG 3.39Å | ||
| 1478 | L | 83.6 | Confident | 63.8 | Low | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -85.6 | -17.8 | -177.9 | -60 | 174.8 | 0 | 0 | 0 | 112.8 | I1212 F1213 N1476 Y1560 R1561 F1964 F2029 | I1212-L1478 HydrophobicContact CG2-CD2 4.36Å; F1213-L1478 WeakPolarHBondContact CD2-O 3.38Å; F1213-L1478 VanDerWaalsContact CE2-O 3.31Å; F1213-L1478 WeakPolarHBondContact CE2-O 3.5Å; N1476-L1478 PolarHBondContact OD1-N 2.95Å; N1476-L1478 VanDerWaalsContact OD1-N 3.12Å; L1478-Y1560 HydrophobicContact CD1-CD1 3.77Å; L1478-Y1560 HydrophobicContact CD1-CE1 4.19Å; L1478-R1561 HydrophobicContact CD2-CB 4.16Å; L1478-F1964 WeakPolarHBondContact O-CD1 3.27Å; L1478-F2029 HydrophobicContact CD1-CD1 4.04Å |
| 1479 | I | 78.4 | Confident | 61.2 | Low | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -106.9 | 133.6 | -176.5 | -36.6 | 169.1 | 0 | 0 | 0 | 110.2 | N1962 | I1479-N1962 WeakPolarHBondContact CD1-O 3.48Å; I1479-N1962 VanDerWaalsContact CG1-O 3.26Å; I1479-N1962 WeakPolarHBondContact CG1-O 3.37Å |
| 1480 | P | 70.7 | Confident | 58.9 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | trans | -58.4 | 150.6 | 175.7 | -23.2 | 31.6 | 0 | 0 | 0 | 114.5 | F1213 Y1482 M1483 | F1213-P1480 HydrophobicContact CD1-CB 4.3Å; F1213-P1480 HydrophobicContact CD1-CG 4.28Å; F1213-P1480 HydrophobicContact CD2-CG 4.12Å; F1213-P1480 HydrophobicContact CE1-CB 4.4Å; F1213-P1480 HydrophobicContact CE1-CG 3.99Å; F1213-P1480 HydrophobicContact CE2-CG 3.82Å; F1213-P1480 HydrophobicContact CG-CB 4.4Å; F1213-P1480 HydrophobicContact CG-CG 4.34Å; F1213-P1480 HydrophobicContact CZ-CG 3.76Å; P1480-Y1482 HydrophobicContact CB-CD1 4.19Å; P1480-Y1482 HydrophobicContact CB-CD2 4.47Å; P1480-Y1482 HydrophobicContact CB-CE1 3.52Å; P1480-Y1482 HydrophobicContact CB-CE2 3.8Å; P1480-Y1482 VanDerWaalsContact CB-OH 3.3Å; P1480-Y1482 WeakPolarHBondContact CB-OH 3.28Å; P1480-Y1482 HydrophobicContact CG-CE1 4.45Å; P1480-Y1482 HydrophobicContact CG-CE2 4.4Å; P1480-Y1482 WeakPolarHBondContact CG-OH 3.07Å; P1480-M1483 HydrophobicContact CB-CG 4.47Å | ||
| 1481 | R | 62.8 | Low | 56.7 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -68.1 | -41 | -175.4 | -68.1 | -170.8 | -179.7 | -107.2 | -26.8 | 114.6 | F1175 S1214 M1483 N1484 I1485 | F1175-R1481 HydrophobicContact CE1-CB 4.13Å; F1175-R1481 HydrophobicContact CE1-CG 4.32Å; F1175-R1481 HydrophobicContact CE2-CG 4.32Å; F1175-R1481 HydrophobicContact CZ-CB 4.03Å; F1175-R1481 VanDerWaalsContact CZ-CD 3.42Å; F1175-R1481 HydrophobicContact CZ-CG 3.71Å; S1214-R1481 VanDerWaalsContact C-NH2 3.35Å; S1214-R1481 PolarHBondContact O-NE 2.86Å; S1214-R1481 PolarHBondContact O-NH2 2.8Å; R1481-M1483 PolarHBondContact O-N 2.82Å; R1481-N1484 WeakPolarHBondContact O-CB 3.36Å; R1481-N1484 PolarHBondContact O-N 2.99Å; R1481-I1485 PolarHBondContact O-N 3.14Å |
| 1482 | Y | 60 | Low | 54.5 | Low | 50 Ų | 50 | 70.3 Ų | 70.3 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -30.3 | -176.6 | 49.5 | -101.4 | 0 | 0 | 0 | 112.2 | P1480 N1484 I1485 Y1486 Y1604 N1605 | P1480-Y1482 HydrophobicContact CB-CD1 4.19Å; P1480-Y1482 HydrophobicContact CB-CD2 4.47Å; P1480-Y1482 HydrophobicContact CB-CE1 3.52Å; P1480-Y1482 HydrophobicContact CB-CE2 3.8Å; P1480-Y1482 VanDerWaalsContact CB-OH 3.3Å; P1480-Y1482 WeakPolarHBondContact CB-OH 3.28Å; P1480-Y1482 HydrophobicContact CG-CE1 4.45Å; P1480-Y1482 HydrophobicContact CG-CE2 4.4Å; P1480-Y1482 WeakPolarHBondContact CG-OH 3.07Å; Y1482-N1484 PolarHBondContact O-N 3.38Å; Y1482-I1485 PolarHBondContact O-N 3.26Å; Y1482-Y1486 PolarHBondContact O-N 3.31Å; Y1482-Y1604 HydrophobicContact CE2-CD1 4.42Å; Y1482-Y1604 HydrophobicContact CE2-CG 4.11Å; Y1482-Y1604 WeakPolarHBondContact OH-CB 3.29Å; Y1482-N1605 WeakPolarHBondContact CE1-OD1 3.47Å |
| 1483 | M | 55.1 | Low | 52.7 | Low | 82 Ų | 82 | 69.2 Ų | 69.2 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -19.4 | 174.9 | -58.2 | -157.5 | 77.7 | 0 | 0 | 113.2 | P1480 R1481 Y1604 | P1480-M1483 HydrophobicContact CB-CG 4.47Å; R1481-M1483 PolarHBondContact O-N 2.82Å; M1483-Y1604 HydrophobicContact CE-CD1 4.12Å; M1483-Y1604 HydrophobicContact CE-CE1 3.48Å; M1483-Y1604 VanDerWaalsContact CE-CE1 3.48Å; M1483-Y1604 HydrophobicContact SD-CD1 4.13Å; M1483-Y1604 HydrophobicContact SD-CE1 3.81Å; M1483-Y1604 HydrophobicContact SD-CE2 4.42Å |
| 1484 | N | 42.3 | Very low | 50.9 | Low | 82 Ų | 82 | 70.2 Ų | 70.2 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -88.3 | -22.6 | 169.6 | -87.6 | 89.1 | 0 | 0 | 0 | 113.5 | R1474 R1481 Y1482 G1487 | R1474-N1484 VanDerWaalsContact NH1-CG 3.33Å; R1474-N1484 PolarHBondContact NH1-OD1 3.38Å; R1481-N1484 WeakPolarHBondContact O-CB 3.36Å; R1481-N1484 PolarHBondContact O-N 2.99Å; Y1482-N1484 PolarHBondContact O-N 3.38Å; N1484-G1487 PolarHBondContact O-N 2.95Å |
| 1485 | I | 41.1 | Very low | 48.8 | Very low | 78 Ų | 78 | 74.2 Ų | 74.2 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.2 | -42.9 | -174.5 | -64.3 | 174.2 | 0 | 0 | 0 | 110.7 | R1481 Y1482 G1487 H1488 N1489 | R1481-I1485 PolarHBondContact O-N 3.14Å; Y1482-I1485 PolarHBondContact O-N 3.26Å; I1485-G1487 PolarHBondContact O-N 2.89Å; I1485-G1487 VanDerWaalsContact O-N 3.12Å; I1485-H1488 PolarHBondContact O-N 3.37Å; I1485-N1489 PolarHBondContact O-N 3.43Å |
| 1486 | Y | 34.5 | Very low | 46.3 | Very low | 175 Ų | 175 | 80.8 Ų | 80.8 | 69% | 0.686 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.7 | 170.5 | -75.8 | -78.1 | 0 | 0 | 0 | 113.2 | Y1482 | Y1482-Y1486 PolarHBondContact O-N 3.31Š|
| 1487 | G | 32.2 | Very low | 43.6 | Very low | 50 Ų | 50 | 87.6 Ų | 87.6 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 12.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1484 I1485 | N1484-G1487 PolarHBondContact O-N 2.95Å; I1485-G1487 PolarHBondContact O-N 2.89Å; I1485-G1487 VanDerWaalsContact O-N 3.12Å |
| 1488 | H | 31.3 | Very low | 40.8 | Very low | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | -26 | 179.7 | -118.7 | 39.9 | 0 | 0 | 0 | 114.6 | I1485 N1490 T1491 | I1485-H1488 PolarHBondContact O-N 3.37Å; H1488-N1490 VanDerWaalsContact C-N 3.35Å; H1488-T1491 PolarHBondContact O-OG1 3.07Å |
| 1489 | N | 29.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 97.7 Ų | 97.7 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -74.1 | -27.3 | -179.9 | -68.8 | 6.6 | 0 | 0 | 0 | 112.7 | I1485 N1885 | I1485-N1489 PolarHBondContact O-N 3.43Å; N1489-N1885 PolarHBondContact O-ND2 2.95Å |
| 1490 | N | 29.2 | Very low | 35.6 | Very low | 77 Ų | 77 | 104.5 Ų | 104.5 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -91.7 | -2.6 | -173.5 | -62.7 | 7.3 | 0 | 0 | 0 | 113.8 | H1488 D1887 | H1488-N1490 VanDerWaalsContact C-N 3.35Å; N1490-D1887 PolarHBondContact ND2-OD1 2.97Å; N1490-D1887 PolarHBondContact ND2-OD2 3.35Å |
| 1491 | T | 30.9 | Very low | 33.3 | Very low | 96 Ų | 96 | 110.5 Ų | 110.5 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -99.2 | 4.5 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 114 | H1488 | H1488-T1491 PolarHBondContact O-OG1 3.07Š|
| 1492 | N | 25.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -109 | 24 | -176.5 | -76.2 | 17.1 | 0 | 0 | 0 | 113.4 | ||
| 1493 | A | 24.9 | Very low | 29.6 | Very low | 39 Ų | 39 | 115.4 Ų | 115.4 | 32% | 0.322 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -127.1 | 130 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N1885 | A1493-N1885 HydrophobicContact CB-CB 4.02Š|
| 1494 | N | 23.6 | Very low | 28.1 | Very low | 155 Ų | 155 | 119.6 Ų | 119.6 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | trans | 63.7 | 91.1 | -178.1 | -56.3 | -28.7 | 0 | 0 | 0 | 116.2 | ||||
| 1495 | D | 27 | Very low | 27.3 | Very low | 161 Ų | 161 | 121.3 Ų | 121.3 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | trans | -136.9 | 114.8 | 146.1 | -114.8 | -27.5 | 0 | 0 | 0 | 108.4 | ||||
| 1496 | N | 24.6 | Very low | 26.4 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -159 | 128.4 | 175.1 | -123.2 | -19.4 | 0 | 0 | 0 | 109 | ||||
| 1497 | N | 25.8 | Very low | 25.9 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | trans | 69.2 | 139.4 | -165.9 | -47.6 | -33.1 | 0 | 0 | 0 | 114.3 | ||||
| 1498 | G | 24 | Very low | 25.5 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -158.3 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1499 | D | 27.6 | Very low | 25.2 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -161.9 | 141.5 | 160.6 | -110.5 | -30.4 | 0 | 0 | 0 | 114.7 | ||||
| 1500 | I | 25.8 | Very low | 25 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | -22.1 | 144.1 | 161.2 | -75.7 | 156.8 | 0 | 0 | 0 | 116.5 | ||||
| 1501 | N | 22.4 | Very low | 25.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | cis | -173.2 | 178.3 | -12.4 | -171.8 | 11.9 | 0 | 0 | 0 | 109.4 | ||||
| 1502 | N | 22.4 | Very low | 25.1 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 69.9 | 128.9 | 165 | -72.5 | -29.5 | 0 | 0 | 0 | 118.3 | ||||
| 1503 | S | 23.5 | Very low | 25.1 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | cis | -167.3 | 168.4 | 5 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1504 | K | 23.1 | Very low | 25.3 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | 66.6 | 70.8 | 165.5 | -63.4 | -176.3 | 179.6 | 178 | 0 | 118.4 | ||||
| 1505 | S | 24.4 | Very low | 25.7 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | -133.3 | 137.7 | 125.6 | 77.6 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1506 | N | 22.8 | Very low | 25.7 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -104.1 | 133.6 | -170.4 | -77.7 | 17.9 | 0 | 0 | 0 | 112 | ||||
| 1507 | N | 23 | Very low | 25.7 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 57% | 0.572 | 66% | 0.664 | S | S | * | * | trans | 55.7 | 81.6 | 149 | -58.1 | 8 | 0 | 0 | 0 | 117.8 | T1510 | N1507-T1510 HydrophobicContact CB-CG2 4.48Š| ||
| 1508 | V | 25.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.685 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -125.5 | 33.5 | 146.3 | -162.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1509 | Y | 24.7 | Very low | 25.8 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | trans | -137.6 | 13.5 | -177.2 | -84.8 | -73.1 | 0 | 0 | 0 | 115.1 | H1511 | Y1509-H1511 PolarHBondContact O-N 3.04Š| ||
| 1510 | T | 25.1 | Very low | 25.5 | Very low | 76 Ų | 76 | 128 Ų | 128 | 47% | 0.466 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 57.4 | -171.5 | 37.9 | 0 | 0 | 0 | 0 | 114.3 | N1507 | N1507-T1510 HydrophobicContact CB-CG2 4.48Š|
| 1511 | H | 33 | Very low | 25.4 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 52% | 0.523 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154.6 | -21.7 | 161.5 | -127.4 | -54.7 | 0 | 0 | 0 | 116.2 | Y1509 | Y1509-H1511 PolarHBondContact O-N 3.04Š|
| 1512 | K | 29.5 | Very low | 25.5 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -43.5 | 175 | -153.4 | 176.4 | -177.4 | -176.5 | 0 | 111.1 | Y1515 Q1516 | K1512-Y1515 PolarHBondContact O-N 3.09Å; K1512-Q1516 WeakPolarHBondContact O-CG 3.43Å; K1512-Q1516 PolarHBondContact O-N 2.71Å; K1512-Q1516 PolarHBondContact O-OE1 3.13Å |
| 1513 | Q | 25.1 | Very low | 25.8 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -66.2 | -37.4 | -179.4 | -72.5 | 179.7 | -19.4 | 0 | 0 | 113.9 | Y1515 Q1516 Q1517 | Q1513-Y1515 PolarHBondContact O-N 2.6Å; Q1513-Y1515 VanDerWaalsContact O-N 3.17Å; Q1513-Q1516 PolarHBondContact O-N 3.25Å; Q1513-Q1517 PolarHBondContact O-N 2.89Å |
| 1514 | Y | 29.6 | Very low | 25.9 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -63.6 | -24.4 | -179.1 | -147.9 | -80.1 | 0 | 0 | 0 | 112.9 | ||
| 1515 | Y | 30.9 | Very low | 26 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 31% | 0.31 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -91.9 | -6.3 | 172 | -83.4 | -61.3 | 0 | 0 | 0 | 114.6 | K1512 Q1513 | K1512-Y1515 PolarHBondContact O-N 3.09Å; Q1513-Y1515 PolarHBondContact O-N 2.6Å; Q1513-Y1515 VanDerWaalsContact O-N 3.17Å |
| 1516 | Q | 27.4 | Very low | 26 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -35.6 | 175.2 | -67.9 | 178.3 | -79.2 | 0 | 0 | 112 | K1512 Q1513 Q1518 N1519 | K1512-Q1516 WeakPolarHBondContact O-CG 3.43Å; K1512-Q1516 PolarHBondContact O-N 2.71Å; K1512-Q1516 PolarHBondContact O-OE1 3.13Å; Q1513-Q1516 PolarHBondContact O-N 3.25Å; Q1516-Q1518 PolarHBondContact O-N 3.49Å; Q1516-Q1518 VanDerWaalsContact O-N 3.16Å; Q1516-N1519 PolarHBondContact O-N 2.81Å; Q1516-N1519 VanDerWaalsContact O-N 3.16Å |
| 1517 | Q | 24.8 | Very low | 26.5 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -6.7 | -175.6 | -74.4 | 174.2 | -23.1 | 0 | 0 | 115.4 | Q1513 | Q1513-Q1517 PolarHBondContact O-N 2.89Š|
| 1518 | Q | 26 | Very low | 27.4 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 52% | 0.523 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | 14.2 | 171.2 | -68.4 | -165.8 | -25 | 0 | 0 | 114 | Q1516 | Q1516-Q1518 PolarHBondContact O-N 3.49Å; Q1516-Q1518 VanDerWaalsContact O-N 3.16Å |
| 1519 | N | 25.5 | Very low | 28.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | trans | -128.2 | 51.2 | 172.4 | -69.9 | -78.4 | 0 | 0 | 0 | 111.8 | Q1516 D1521 | Q1516-N1519 PolarHBondContact O-N 2.81Å; Q1516-N1519 VanDerWaalsContact O-N 3.16Å; N1519-D1521 PolarHBondContact O-N 2.86Å | ||
| 1520 | H | 22.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | trans | -72.5 | 86.5 | 154.3 | -95.1 | -87.5 | 0 | 0 | 0 | 108.3 | ||||
| 1521 | D | 23 | Very low | 30.7 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | S | Bend | 178.4 | 145.3 | 127.2 | -87.6 | -16.7 | 0 | 0 | 0 | 113.1 | N1519 | N1519-D1521 PolarHBondContact O-N 2.86Š| |
| 1522 | D | 24.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 61.8 | 96.6 | 177.8 | -79.7 | -35.1 | 0 | 0 | 0 | 119.6 | ||
| 1523 | H | 28.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 57% | 0.574 | 60% | 0.601 | S | S | * | * | trans | 101.6 | 115.9 | 136.2 | -58.2 | -19.6 | 0 | 0 | 0 | 119.4 | K1442 | K1442-H1523 PolarHBondContact NZ-CD2 2.89Å; K1442-H1523 PolarHBondContact NZ-NE2 2.84Å | ||
| 1524 | Q | 25.3 | Very low | 38.4 | Very low | 177 Ų | 177 | 114.2 Ų | 114.2 | 83% | 0.827 | 58% | 0.577 | S | S | * | * | trans | 18.8 | 123 | 145 | -70 | 170.9 | -43.4 | 0 | 0 | 118.5 | E1526 | Q1524-E1526 PolarHBondContact O-N 3Š| ||
| 1525 | G | 25.5 | Very low | 41.2 | Very low | 84 Ų | 84 | 107 Ų | 107 | 87% | 0.866 | 55% | 0.549 | S | S | * | . | trans | -77.2 | 119.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1526 | E | 24.5 | Very low | 43.9 | Very low | 188 Ų | 188 | 103.3 Ų | 103.3 | 88% | 0.879 | 54% | 0.535 | S | S | * | . | trans | -121.8 | 165.4 | 150.1 | -70 | -178.3 | 151.5 | 0 | 0 | 107.7 | Q1524 | Q1524-E1526 PolarHBondContact O-N 3Š| ||
| 1527 | D | 32.8 | Very low | 46.8 | Very low | 130 Ų | 130 | 99.7 Ų | 99.7 | 70% | 0.695 | 52% | 0.518 | S | S | * | . | trans | -67 | 155.1 | -154.2 | -77.2 | -70 | 0 | 0 | 0 | 118.4 | T1529 | D1527-T1529 HydrophobicContact CB-CG2 3.86Å; D1527-T1529 PolarHBondContact O-N 3.18Å; D1527-T1529 PolarHBondContact O-OG1 3.33Å | ||
| 1528 | L | 40.7 | Very low | 49.7 | Very low | 152 Ų | 152 | 94.7 Ų | 94.7 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 37.2 | 168.4 | -73.1 | 128.9 | 0 | 0 | 0 | 112.9 | R1182 | R1182-L1528 PolarHBondContact NH2-O 2.95Š|
| 1529 | T | 40.8 | Very low | 52.6 | Low | 107 Ų | 107 | 90 Ų | 90 | 66% | 0.656 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -32.2 | 172.1 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | D1527 | D1527-T1529 HydrophobicContact CB-CG2 3.86Å; D1527-T1529 PolarHBondContact O-N 3.18Å; D1527-T1529 PolarHBondContact O-OG1 3.33Å |
| 1530 | N | 46.7 | Very low | 55.4 | Low | 113 Ų | 113 | 91.4 Ų | 91.4 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -71.1 | 132.6 | -175.4 | -83.6 | -49.7 | 0 | 0 | 0 | 113.8 | ||
| 1531 | K | 57.9 | Low | 58.3 | Low | 101 Ų | 101 | 90 Ų | 90 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | trans | -64.1 | 130.5 | 173.5 | -68.9 | -179.8 | 159.4 | -144.5 | 0 | 110.4 | D1467 L1533 | D1467-K1531 WeakPolarHBondContact OD2-CD 3.48Å; D1467-K1531 IonicContact OD2-NZ 2.7Å; D1467-K1531 PolarHBondContact OD2-NZ 2.84Å; K1531-L1533 PolarHBondContact O-N 3.33Å | ||
| 1532 | Q | 75 | Confident | 61.2 | Low | 80 Ų | 80 | 84 Ų | 84 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 103.3 | -177.3 | -170.9 | 151.7 | 63.6 | 0 | 0 | 110.1 | Y1423 V1468 L1534 | Y1423-Q1532 PolarHBondContact OH-OE1 3.22Å; V1468-Q1532 WeakPolarHBondContact CG2-O 3.38Å; V1468-Q1532 PolarHBondContact N-O 2.95Å; Q1532-L1534 HydrophobicContact CG-CD2 4.46Å |
| 1533 | L | 86.5 | Confident | 64 | Low | 20 Ų | 20 | 79.8 Ų | 79.8 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.9 | 179 | -69.6 | 165.8 | 0 | 0 | 0 | 111.1 | M1432 F1446 L1465 L1466 D1467 K1531 | M1432-L1533 HydrophobicContact CE-CD1 3.76Å; M1432-L1533 HydrophobicContact SD-CD1 3.8Å; F1446-L1533 HydrophobicContact CE1-CB 3.83Å; F1446-L1533 HydrophobicContact CE2-CD1 4.46Å; F1446-L1533 HydrophobicContact CZ-CB 3.82Å; F1446-L1533 HydrophobicContact CZ-CD1 3.82Å; F1446-L1533 HydrophobicContact CZ-CG 4.48Å; L1465-L1533 HydrophobicContact CB-CD2 4.36Å; L1465-L1533 HydrophobicContact CD1-CB 4.39Å; L1466-L1533 WeakPolarHBondContact O-CA 3.48Å; D1467-L1533 HydrophobicContact CB-CD2 4.03Å; K1531-L1533 PolarHBondContact O-N 3.33Å |
| 1534 | L | 87.6 | Confident | 66.8 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.4 | 178.6 | -60.8 | -175.7 | 0 | 0 | 0 | 112.1 | Y1414 Y1423 L1466 V1468 Q1532 | Y1414-L1534 WeakPolarHBondContact OH-CD2 3.44Å; Y1423-L1534 HydrophobicContact CD2-CD1 4.35Å; L1466-L1534 PolarHBondContact N-O 3.35Å; L1466-L1534 PolarHBondContact O-N 3.39Å; V1468-L1534 HydrophobicContact CG1-CD1 4.25Å; V1468-L1534 HydrophobicContact CG1-CG 4.43Å; V1468-L1534 HydrophobicContact CG2-CD1 3.73Å; V1468-L1534 HydrophobicContact CG2-CG 3.9Å; Q1532-L1534 HydrophobicContact CG-CD2 4.46Å |
| 1535 | V | 88.9 | Confident | 69.8 | Low | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | trans | -92.8 | 124.3 | 174 | 175 | 0 | 0 | 0 | 0 | 108.8 | P1434 Y1450 I1458 Q1463 L1465 E1537 L1538 C1539 | P1434-V1535 HydrophobicContact CG-CG1 4.24Å; P1434-V1535 HydrophobicContact CG-CG2 4.27Å; Y1450-V1535 HydrophobicContact CD2-CG2 3.87Å; Y1450-V1535 HydrophobicContact CE2-CB 4.34Å; Y1450-V1535 HydrophobicContact CE2-CG2 3.5Å; Y1450-V1535 VanDerWaalsContact CE2-CG2 3.5Å; I1458-V1535 HydrophobicContact CD1-CG1 4.08Å; I1458-V1535 HydrophobicContact CD1-CG2 3.98Å; I1458-V1535 HydrophobicContact CG1-CG1 4.44Å; I1458-V1535 HydrophobicContact CG2-CG1 4.44Å; Q1463-V1535 HydrophobicContact CG-CG1 4.38Å; Q1463-V1535 VanDerWaalsContact OE1-CG1 3.28Å; L1465-V1535 HydrophobicContact CD2-CG2 3.71Å; V1535-E1537 VanDerWaalsContact C-N 3.33Å; V1535-E1537 HydrophobicContact CG1-CB 4.09Å; V1535-E1537 PolarHBondContact O-N 3.28Å; V1535-L1538 HydrophobicContact CB-CB 4.41Å; V1535-L1538 HydrophobicContact CB-CD1 4.29Å; V1535-L1538 HydrophobicContact CB-CG 4.27Å; V1535-L1538 HydrophobicContact CG1-CG 4.21Å; V1535-L1538 PolarHBondContact O-N 2.87Å; V1535-C1539 PolarHBondContact O-SG 3.34Å | ||
| 1536 | P | 87.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -53 | -44.1 | -179.2 | -22.8 | 25.8 | 0 | 0 | 0 | 114.2 | F1398 F1400 F1405 Q1463 P1464 L1466 L1538 C1539 | F1398-P1536 HydrophobicContact CE1-CB 3.78Å; F1398-P1536 HydrophobicContact CZ-CB 3.72Å; F1400-P1536 HydrophobicContact CD2-CB 3.6Å; F1400-P1536 HydrophobicContact CD2-CG 3.56Å; F1400-P1536 HydrophobicContact CE2-CB 3.74Å; F1400-P1536 HydrophobicContact CE2-CG 3.51Å; F1405-P1536 HydrophobicContact CE1-CB 4.04Å; F1405-P1536 HydrophobicContact CE2-CB 4.15Å; F1405-P1536 HydrophobicContact CZ-CB 3.81Å; Q1463-P1536 VanDerWaalsContact OE1-CD 3.27Å; P1464-P1536 WeakPolarHBondContact O-CD 3.27Å; P1464-P1536 WeakPolarHBondContact O-CG 3.47Å; L1466-P1536 HydrophobicContact CD1-CB 4.3Å; L1466-P1536 HydrophobicContact CD1-CG 4.19Å; L1466-P1536 HydrophobicContact CD2-CG 4.05Å; L1466-P1536 HydrophobicContact CG-CB 4.5Å; L1466-P1536 HydrophobicContact CG-CG 3.86Å; P1536-L1538 PolarHBondContact O-N 3.47Å; P1536-L1538 VanDerWaalsContact O-N 3.13Å; P1536-C1539 PolarHBondContact O-N 2.96Å |
| 1537 | E | 87.2 | Confident | 75.7 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.6 | 178.2 | -176 | 173.4 | 175.5 | 0 | 0 | 113.7 | F1398 I1458 T1459 T1460 Q1463 V1535 | F1398-E1537 HydrophobicContact CB-CB 4.29Å; F1398-E1537 HydrophobicContact CB-CG 3.87Å; F1398-E1537 HydrophobicContact CD1-CB 3.72Å; F1398-E1537 HydrophobicContact CD1-CG 4.26Å; F1398-E1537 HydrophobicContact CD2-CB 4.04Å; F1398-E1537 HydrophobicContact CD2-CG 4.08Å; F1398-E1537 HydrophobicContact CE1-CB 4.03Å; F1398-E1537 HydrophobicContact CE2-CB 4.32Å; F1398-E1537 HydrophobicContact CG-CB 3.73Å; F1398-E1537 HydrophobicContact CG-CG 3.8Å; F1398-E1537 HydrophobicContact CZ-CB 4.32Å; I1458-E1537 WeakPolarHBondContact CG2-OE2 2.82Å; T1459-E1537 WeakPolarHBondContact CA-OE1 3.4Å; T1459-E1537 WeakPolarHBondContact CB-OE1 3.37Å; T1459-E1537 VanDerWaalsContact CG2-OE1 3.29Å; T1459-E1537 WeakPolarHBondContact CG2-OE1 3.44Å; T1459-E1537 PolarHBondContact N-OE1 3.25Å; T1459-E1537 PolarHBondContact N-OE2 3.01Å; T1459-E1537 VanDerWaalsContact OG1-CD 3.25Å; T1459-E1537 PolarHBondContact OG1-OE1 2.85Å; T1459-E1537 PolarHBondContact OG1-OE2 3.16Å; T1460-E1537 PolarHBondContact N-OE2 3.15Å; T1460-E1537 VanDerWaalsContact N-OE2 3.13Å; Q1463-E1537 PolarHBondContact NE2-OE2 3.33Å; Q1463-E1537 VanDerWaalsContact OE1-CB 3.24Å; V1535-E1537 VanDerWaalsContact C-N 3.33Å; V1535-E1537 HydrophobicContact CG1-CB 4.09Å; V1535-E1537 PolarHBondContact O-N 3.28Å |
| 1538 | L | 86.5 | Confident | 78.3 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -101.9 | 13.3 | -179.5 | -56.5 | -177.7 | 0 | 0 | 0 | 112.9 | G1413 Y1414 Y1450 A1456 I1458 V1535 P1536 | G1413-L1538 PolarHBondContact N-O 3.07Å; Y1414-L1538 HydrophobicContact CD1-CB 3.99Å; Y1414-L1538 HydrophobicContact CE1-CB 4.27Å; Y1450-L1538 HydrophobicContact CD1-CD1 3.63Å; Y1450-L1538 HydrophobicContact CD2-CD1 3.94Å; Y1450-L1538 HydrophobicContact CE1-CD1 4.18Å; Y1450-L1538 HydrophobicContact CE2-CD1 4.47Å; Y1450-L1538 HydrophobicContact CG-CD1 3.51Å; A1456-L1538 HydrophobicContact CB-CD1 4.12Å; A1456-L1538 HydrophobicContact CB-CD2 4.15Å; I1458-L1538 HydrophobicContact CD1-CD1 4.27Å; I1458-L1538 HydrophobicContact CG1-CD1 4.06Å; I1458-L1538 HydrophobicContact CG1-CG 4.45Å; V1535-L1538 HydrophobicContact CB-CB 4.41Å; V1535-L1538 HydrophobicContact CB-CD1 4.29Å; V1535-L1538 HydrophobicContact CB-CG 4.27Å; V1535-L1538 HydrophobicContact CG1-CG 4.21Å; V1535-L1538 PolarHBondContact O-N 2.87Å; P1536-L1538 PolarHBondContact O-N 3.47Å; P1536-L1538 VanDerWaalsContact O-N 3.13Å |
| 1539 | C | 86.1 | Confident | 80.6 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 10% | 0.095 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.2 | -176.6 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | V1410 T1411 V1535 P1536 | V1410-C1539 HydrophobicContact CB-CB 4.17Å; V1410-C1539 HydrophobicContact CG1-CB 4.37Å; T1411-C1539 CarbonylContact O-C 3.46Å; T1411-C1539 WeakPolarHBondContact O-CA 3.28Å; V1535-C1539 PolarHBondContact O-SG 3.34Å; P1536-C1539 PolarHBondContact O-N 2.96Å |
| 1540 | F | 84.2 | Confident | 82.8 | Confident | 133 Ų | 133 | 39 Ų | 39 | 58% | 0.583 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.4 | 167.8 | -61.6 | -59.7 | 0 | 0 | 0 | 110.3 | V1410 T1411 | V1410-F1540 CarbonylContact C-O 3.4Å; V1410-F1540 WeakPolarHBondContact CA-O 3.48Å; T1411-F1540 HydrophobicContact CG2-CB 3.99Å; T1411-F1540 PolarHBondContact N-O 3.28Å; T1411-F1540 PolarHBondContact O-N 3.08Å |
| 1541 | R | 84 | Confident | 84.8 | Confident | 139 Ų | 139 | 34 Ų | 34 | 53% | 0.525 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.2 | 174.5 | -174.5 | 178.5 | 70.9 | -174 | -4.6 | 111 | E1404 A1408 | E1404-R1541 VanDerWaalsContact CB-NH1 3.27Å; E1404-R1541 WeakPolarHBondContact O-CD 3.23Å; E1404-R1541 PolarHBondContact O-NH1 3.42Å; E1404-R1541 IonicContact OE2-NH1 3.89Å; A1408-R1541 HydrophobicContact CB-CG 4.22Å |
| 1542 | H | 85 | Confident | 86.3 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 148.7 | 169.6 | -155.3 | -84.6 | 0 | 0 | 0 | 111.1 | K1313 V1409 Y1422 F1544 W1549 | K1313-H1542 PolarHBondContact NZ-NE2 3.24Å; V1409-H1542 HydrophobicContact CB-CB 4.11Å; V1409-H1542 HydrophobicContact CG1-CB 4.23Å; V1409-H1542 PolarHBondContact O-N 2.91Å; Y1422-H1542 AromaticContact CE1-CD2 3.75Å; Y1422-H1542 AromaticContact CZ-CD2 3.72Å; H1542-F1544 AromaticContact CE1-CD2 3.74Å; H1542-F1544 AromaticContact ND1-CD2 3.67Å; H1542-F1544 PolarHBondContact ND1-N 2.88Å; H1542-F1544 PolarHBondContact O-N 3.15Å; H1542-F1544 VanDerWaalsContact O-N 3.08Å; H1542-W1549 AromaticContact CG-CZ3 3.91Å; H1542-W1549 AromaticContact ND1-CZ3 3.75Å |
| 1543 | S | 83.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 18% | 0.175 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 9 | 177.8 | 44.6 | 0 | 0 | 0 | 0 | 115.2 | S1309 | S1309-S1543 WeakPolarHBondContact OG-CB 3.41Å; S1309-S1543 PolarHBondContact OG-OG 2.99Å |
| 1544 | F | 86.7 | Confident | 87 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.1 | 176.6 | -89.2 | -115 | 0 | 0 | 0 | 109.4 | F1196 F1258 L1262 V1266 F1302 V1306 H1542 V1548 W1549 | F1196-F1544 HydrophobicContact CZ-CE1 4.49Å; F1258-F1544 AromaticContact CE2-CZ 3.9Å; F1258-F1544 HydrophobicContact CE2-CZ 3.9Å; F1258-F1544 HydrophobicContact CZ-CE1 4.35Å; F1258-F1544 AromaticContact CZ-CZ 3.95Å; F1258-F1544 HydrophobicContact CZ-CZ 3.95Å; L1262-F1544 HydrophobicContact CD1-CE1 3.9Å; L1262-F1544 HydrophobicContact CD1-CZ 4.18Å; V1266-F1544 HydrophobicContact CG2-CD1 4.42Å; V1266-F1544 HydrophobicContact CG2-CD2 4.29Å; V1266-F1544 HydrophobicContact CG2-CE1 4.26Å; V1266-F1544 HydrophobicContact CG2-CE2 4.1Å; V1266-F1544 HydrophobicContact CG2-CG 4.43Å; V1266-F1544 HydrophobicContact CG2-CZ 4.09Å; F1302-F1544 HydrophobicContact CE1-CD1 4.5Å; F1302-F1544 HydrophobicContact CE1-CE1 4.16Å; F1302-F1544 HydrophobicContact CE1-CZ 4.33Å; F1302-F1544 AromaticContact CZ-CD1 3.86Å; F1302-F1544 HydrophobicContact CZ-CD1 3.86Å; F1302-F1544 HydrophobicContact CZ-CD2 4.2Å; F1302-F1544 AromaticContact CZ-CE1 3.94Å; F1302-F1544 HydrophobicContact CZ-CE1 3.94Å; F1302-F1544 HydrophobicContact CZ-CE2 4.29Å; F1302-F1544 AromaticContact CZ-CG 4Å; F1302-F1544 HydrophobicContact CZ-CG 4Å; F1302-F1544 HydrophobicContact CZ-CZ 4.16Å; V1306-F1544 HydrophobicContact CB-CE2 4.39Å; V1306-F1544 HydrophobicContact CG1-CE2 3.83Å; V1306-F1544 HydrophobicContact CG2-CD2 3.94Å; V1306-F1544 HydrophobicContact CG2-CE2 3.57Å; V1306-F1544 HydrophobicContact CG2-CZ 4.3Å; H1542-F1544 AromaticContact CE1-CD2 3.74Å; H1542-F1544 AromaticContact ND1-CD2 3.67Å; H1542-F1544 PolarHBondContact ND1-N 2.88Å; H1542-F1544 PolarHBondContact O-N 3.15Å; H1542-F1544 VanDerWaalsContact O-N 3.08Å; F1544-V1548 HydrophobicContact CD1-CG1 4.29Å; F1544-W1549 HydrophobicContact CB-CE3 3.76Å; F1544-W1549 HydrophobicContact CB-CZ3 4.31Å; F1544-W1549 HydrophobicContact CG-CE3 4.38Å |
| 1545 | P | 88.5 | Confident | 87.2 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 24% | 0.24 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 149.5 | 169.6 | -23.3 | 33.2 | 0 | 0 | 0 | 112.2 | N1407 S1547 V1548 W1549 | N1407-P1545 CarbonylContact O-C 3.59Å; N1407-P1545 WeakPolarHBondContact O-CA 3.35Å; P1545-S1547 VanDerWaalsContact C-N 3.35Å; P1545-S1547 PolarHBondContact O-N 2.7Å; P1545-V1548 HydrophobicContact CB-CB 4.33Å; P1545-V1548 HydrophobicContact CB-CG2 4.11Å; P1545-V1548 HydrophobicContact CG-CG2 4.15Å; P1545-V1548 PolarHBondContact O-N 3.42Å; P1545-W1549 WeakPolarHBondContact O-CB 3.19Å; P1545-W1549 PolarHBondContact O-N 3.49Å |
| 1546 | A | 86.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -35.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1407 V1409 Y1424 W1549 R1550 | N1407-A1546 PolarHBondContact O-N 3.22Å; N1407-A1546 WeakPolarHBondContact OD1-CB 3.47Å; N1407-A1546 PolarHBondContact OD1-N 3.48Å; V1409-A1546 HydrophobicContact CG2-CB 4.07Å; Y1424-A1546 HydrophobicContact CD1-CB 3.74Å; A1546-W1549 PolarHBondContact O-N 2.93Å; A1546-R1550 VanDerWaalsContact O-CG 3.29Å; A1546-R1550 WeakPolarHBondContact O-CG 3.45Å; A1546-R1550 PolarHBondContact O-N 3.13Å |
| 1547 | S | 86.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.1 | -51.1 | 171.3 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | H1187 E1192 N1407 P1545 R1550 K1551 | H1187-S1547 WeakPolarHBondContact NE2-CB 3.36Å; E1192-S1547 VanDerWaalsContact CD-OG 3.31Å; E1192-S1547 VanDerWaalsContact OE2-CB 3.25Å; E1192-S1547 WeakPolarHBondContact OE2-CB 3.26Å; E1192-S1547 PolarHBondContact OE2-OG 2.93Å; N1407-S1547 PolarHBondContact ND2-OG 2.76Å; N1407-S1547 PolarHBondContact OD1-N 2.89Å; N1407-S1547 PolarHBondContact OD1-OG 3.02Å; P1545-S1547 VanDerWaalsContact C-N 3.35Å; P1545-S1547 PolarHBondContact O-N 2.7Å; S1547-R1550 PolarHBondContact O-N 2.73Å; S1547-K1551 PolarHBondContact O-N 3.18Å |
| 1548 | V | 88.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.1 | -39.4 | 176.7 | 180 | 0 | 0 | 0 | 0 | 110.8 | E1192 I1194 F1196 F1302 F1544 P1545 R1550 K1551 A1552 | E1192-V1548 HydrophobicContact CG-CG2 4.04Å; I1194-V1548 HydrophobicContact CB-CG2 4.04Å; I1194-V1548 HydrophobicContact CG2-CG1 4.46Å; I1194-V1548 HydrophobicContact CG2-CG2 3.85Å; F1196-V1548 HydrophobicContact CE2-CG1 4.04Å; F1196-V1548 HydrophobicContact CZ-CG1 3.9Å; F1302-V1548 HydrophobicContact CE1-CG1 4.33Å; F1302-V1548 HydrophobicContact CZ-CG1 4.25Å; F1544-V1548 HydrophobicContact CD1-CG1 4.29Å; P1545-V1548 HydrophobicContact CB-CB 4.33Å; P1545-V1548 HydrophobicContact CB-CG2 4.11Å; P1545-V1548 HydrophobicContact CG-CG2 4.15Å; P1545-V1548 PolarHBondContact O-N 3.42Å; V1548-R1550 PolarHBondContact O-N 2.9Å; V1548-K1551 PolarHBondContact O-N 3.27Å; V1548-A1552 PolarHBondContact O-N 3.01Å |
| 1549 | W | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.1 | -169 | -62.6 | 0 | 0 | 0 | 112.1 | V1266 V1409 Y1422 Y1424 H1542 F1544 P1545 A1546 K1551 A1552 V1553 | V1266-W1549 HydrophobicContact CB-CH2 4.07Å; V1266-W1549 HydrophobicContact CB-CZ2 4.4Å; V1266-W1549 HydrophobicContact CB-CZ3 4.34Å; V1266-W1549 HydrophobicContact CG1-CD2 4.06Å; V1266-W1549 HydrophobicContact CG1-CE3 4.15Å; V1266-W1549 HydrophobicContact CG1-CH2 3.83Å; V1266-W1549 HydrophobicContact CG1-CZ2 3.76Å; V1266-W1549 HydrophobicContact CG1-CZ3 4.04Å; V1266-W1549 HydrophobicContact CG2-CE3 4.41Å; V1266-W1549 HydrophobicContact CG2-CH2 3.97Å; V1266-W1549 HydrophobicContact CG2-CZ3 3.82Å; V1409-W1549 HydrophobicContact CB-CE3 4.2Å; V1409-W1549 HydrophobicContact CG1-CD2 4.28Å; V1409-W1549 HydrophobicContact CG1-CE3 3.96Å; V1409-W1549 HydrophobicContact CG1-CZ3 4.11Å; V1409-W1549 HydrophobicContact CG2-CB 3.92Å; V1409-W1549 HydrophobicContact CG2-CD2 3.99Å; V1409-W1549 HydrophobicContact CG2-CE3 3.88Å; V1409-W1549 HydrophobicContact CG2-CG 4.02Å; Y1422-W1549 AromaticContact CD2-CH2 3.28Å; Y1422-W1549 HydrophobicContact CD2-CH2 3.28Å; Y1422-W1549 AromaticContact CD2-CZ2 3.61Å; Y1422-W1549 HydrophobicContact CD2-CZ2 3.61Å; Y1422-W1549 HydrophobicContact CD2-CZ3 4.31Å; Y1422-W1549 AromaticContact CE2-CH2 3.59Å; Y1422-W1549 HydrophobicContact CE2-CH2 3.59Å; Y1422-W1549 HydrophobicContact CE2-CZ2 4.3Å; Y1422-W1549 AromaticContact CG-CH2 3.89Å; Y1422-W1549 HydrophobicContact CG-CH2 3.89Å; Y1422-W1549 HydrophobicContact CG-CZ2 4.2Å; Y1424-W1549 HydrophobicContact CE1-CB 4.06Å; Y1424-W1549 AromaticContact CE1-CD1 3.56Å; Y1424-W1549 AromaticContact CE1-CG 3.95Å; Y1424-W1549 HydrophobicContact CE1-CG 3.95Å; Y1424-W1549 AromaticContact CZ-CD1 3.87Å; H1542-W1549 AromaticContact CG-CZ3 3.91Å; H1542-W1549 AromaticContact ND1-CZ3 3.75Å; F1544-W1549 HydrophobicContact CB-CE3 3.76Å; F1544-W1549 HydrophobicContact CB-CZ3 4.31Å; F1544-W1549 HydrophobicContact CG-CE3 4.38Å; P1545-W1549 WeakPolarHBondContact O-CB 3.19Å; P1545-W1549 PolarHBondContact O-N 3.49Å; A1546-W1549 PolarHBondContact O-N 2.93Å; W1549-K1551 VanDerWaalsContact C-N 3.32Å; W1549-K1551 PolarHBondContact O-N 2.97Å; W1549-A1552 WeakPolarHBondContact O-CB 3.28Å; W1549-A1552 PolarHBondContact O-N 2.9Å; W1549-A1552 VanDerWaalsContact O-N 3.15Å; W1549-V1553 WeakPolarHBondContact O-CG2 3.42Å; W1549-V1553 PolarHBondContact O-N 3.03Å |
| 1550 | R | 86.2 | Confident | 88 | Confident | 61 Ų | 61 | 22.5 Ų | 22.5 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 174.3 | -74.6 | 171.5 | -171.9 | -132.4 | 8.7 | 111.7 | H1187 Y1424 A1546 S1547 V1548 C1554 | H1187-R1550 VanDerWaalsContact CB-NH1 3.26Å; Y1424-R1550 HydrophobicContact CE1-CG 3.84Å; A1546-R1550 VanDerWaalsContact O-CG 3.29Å; A1546-R1550 WeakPolarHBondContact O-CG 3.45Å; A1546-R1550 PolarHBondContact O-N 3.13Å; S1547-R1550 PolarHBondContact O-N 2.73Å; V1548-R1550 PolarHBondContact O-N 2.9Å; R1550-C1554 PolarHBondContact O-SG 3.33Å |
| 1551 | K | 88.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 172.2 | -62.6 | -177.9 | -177.2 | -179.6 | 0 | 111.6 | M1169 P1189 E1192 I1194 F1196 S1547 V1548 W1549 V1553 C1554 | M1169-K1551 HydrophobicContact SD-CB 4.3Å; M1169-K1551 HydrophobicContact SD-CG 4.16Å; P1189-K1551 WeakPolarHBondContact O-CE 3.14Å; P1189-K1551 PolarHBondContact O-NZ 3.01Å; E1192-K1551 PolarHBondContact O-NZ 3.15Å; I1194-K1551 PolarHBondContact O-NZ 3.04Å; F1196-K1551 HydrophobicContact CD2-CB 4.1Å; F1196-K1551 HydrophobicContact CE2-CB 4.05Å; S1547-K1551 PolarHBondContact O-N 3.18Å; V1548-K1551 PolarHBondContact O-N 3.27Å; W1549-K1551 VanDerWaalsContact C-N 3.32Å; W1549-K1551 PolarHBondContact O-N 2.97Å; K1551-V1553 PolarHBondContact O-N 2.72Å; K1551-C1554 WeakPolarHBondContact O-CB 3.38Å; K1551-C1554 PolarHBondContact O-N 3.45Å; K1551-C1554 VanDerWaalsContact O-N 3.07Å |
| 1552 | A | 88.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1196 L1262 V1266 V1548 W1549 C1554 I1555 | F1196-A1552 HydrophobicContact CE2-CB 3.74Å; F1196-A1552 HydrophobicContact CZ-CB 3.73Å; L1262-A1552 HydrophobicContact CD1-CB 4.04Å; V1266-A1552 HydrophobicContact CG1-CB 4.32Å; V1548-A1552 PolarHBondContact O-N 3.01Å; W1549-A1552 WeakPolarHBondContact O-CB 3.28Å; W1549-A1552 PolarHBondContact O-N 2.9Å; W1549-A1552 VanDerWaalsContact O-N 3.15Å; A1552-C1554 PolarHBondContact O-N 3.08Å; A1552-C1554 VanDerWaalsContact O-N 3.16Å; A1552-I1555 WeakPolarHBondContact O-CB 3.38Å; A1552-I1555 WeakPolarHBondContact O-CG1 3.36Å; A1552-I1555 PolarHBondContact O-N 3.49Å; A1552-I1555 VanDerWaalsContact O-N 3.12Å |
| 1553 | V | 88.2 | Confident | 88.8 | Confident | 16 Ų | 16 | 9.4 Ų | 9.4 | 10% | 0.097 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.1 | -22.4 | 178.3 | 168.9 | 0 | 0 | 0 | 0 | 112.8 | L1475 W1549 K1551 | L1475-V1553 HydrophobicContact CD2-CG1 4Å; W1549-V1553 WeakPolarHBondContact O-CG2 3.42Å; W1549-V1553 PolarHBondContact O-N 3.03Å; K1551-V1553 PolarHBondContact O-N 2.72Å |
| 1554 | C | 89.2 | Confident | 89.1 | Confident | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.034 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -80.9 | -27.7 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | M1169 I1212 L1477 R1550 K1551 A1552 P1556 S1557 I1558 | M1169-C1554 HydrophobicContact CE-CB 4.1Å; I1212-C1554 HydrophobicContact CD1-CB 3.86Å; L1477-C1554 HydrophobicContact CD1-CB 4.08Å; L1477-C1554 VanDerWaalsContact CD1-SG 3.53Å; R1550-C1554 PolarHBondContact O-SG 3.33Å; K1551-C1554 WeakPolarHBondContact O-CB 3.38Å; K1551-C1554 PolarHBondContact O-N 3.45Å; K1551-C1554 VanDerWaalsContact O-N 3.07Å; A1552-C1554 PolarHBondContact O-N 3.08Å; A1552-C1554 VanDerWaalsContact O-N 3.16Å; C1554-P1556 VanDerWaalsContact C-CD 3.44Å; C1554-P1556 VanDerWaalsContact O-N 3.1Å; C1554-S1557 PolarHBondContact O-N 3.07Å; C1554-I1558 HydrophobicContact CB-CD1 3.75Å; C1554-I1558 HydrophobicContact CB-CG1 4.29Å; C1554-I1558 WeakPolarHBondContact O-CG1 3.49Å; C1554-I1558 PolarHBondContact O-N 2.84Å |
| 1555 | I | 91.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -46 | -44.1 | -170.9 | -64.8 | -69.3 | 0 | 0 | 0 | 114.5 | I1167 F1196 F1263 V1288 A1552 S1557 I1558 L1559 | I1167-I1555 HydrophobicContact CD1-CD1 3.73Å; F1196-I1555 HydrophobicContact CB-CD1 3.78Å; F1196-I1555 HydrophobicContact CD2-CD1 4.07Å; F1196-I1555 HydrophobicContact CD2-CG1 4.31Å; F1196-I1555 HydrophobicContact CG-CD1 3.97Å; F1196-I1555 HydrophobicContact CG-CG1 4.44Å; F1263-I1555 HydrophobicContact CZ-CG2 4.09Å; V1288-I1555 HydrophobicContact CG1-CD1 4.47Å; V1288-I1555 HydrophobicContact CG1-CG2 4.49Å; V1288-I1555 HydrophobicContact CG2-CG2 4.34Å; A1552-I1555 WeakPolarHBondContact O-CB 3.38Å; A1552-I1555 WeakPolarHBondContact O-CG1 3.36Å; A1552-I1555 PolarHBondContact O-N 3.49Å; A1552-I1555 VanDerWaalsContact O-N 3.12Å; I1555-S1557 PolarHBondContact O-N 2.87Å; I1555-I1558 PolarHBondContact O-N 3.11Å; I1555-L1559 HydrophobicContact CG2-CD1 3.55Å; I1555-L1559 HydrophobicContact CG2-CG 4.09Å; I1555-L1559 WeakPolarHBondContact O-CB 3.29Å; I1555-L1559 WeakPolarHBondContact O-CG 3.48Å; I1555-L1559 PolarHBondContact O-N 3.02Å |
| 1556 | P | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.1 | -26.5 | 36.7 | 0 | 0 | 0 | 113.9 | L1267 F1269 C1554 I1558 Y1560 F2029 P2031 W2035 | L1267-P1556 HydrophobicContact CD1-CG 4.2Å; F1269-P1556 HydrophobicContact CE2-CG 4.22Å; F1269-P1556 HydrophobicContact CZ-CB 4.42Å; F1269-P1556 HydrophobicContact CZ-CG 4.02Å; C1554-P1556 VanDerWaalsContact C-CD 3.44Å; C1554-P1556 VanDerWaalsContact O-N 3.1Å; P1556-I1558 VanDerWaalsContact C-N 3.33Å; P1556-I1558 PolarHBondContact O-N 3.04Å; P1556-Y1560 WeakPolarHBondContact O-CB 3.46Å; P1556-Y1560 PolarHBondContact O-N 3.35Å; P1556-F2029 HydrophobicContact CB-CZ 4.3Å; P1556-F2029 WeakPolarHBondContact O-CZ 3.47Å; P1556-P2031 HydrophobicContact CB-CB 4.49Å; P1556-P2031 HydrophobicContact CB-CG 4.4Å; P1556-W2035 HydrophobicContact CB-CE3 4.32Å; P1556-W2035 HydrophobicContact CB-CH2 4.14Å; P1556-W2035 HydrophobicContact CB-CZ3 3.75Å; P1556-W2035 HydrophobicContact CG-CZ3 4.29Å |
| 1557 | S | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 177.6 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | L1475 L1477 C1554 I1555 R1561 | L1475-S1557 PolarHBondContact O-OG 2.86Å; L1477-S1557 PolarHBondContact N-OG 3.39Å; C1554-S1557 PolarHBondContact O-N 3.07Å; I1555-S1557 PolarHBondContact O-N 2.87Å; S1557-R1561 WeakPolarHBondContact O-CB 3.43Å; S1557-R1561 PolarHBondContact O-N 3.27Å |
| 1558 | I | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.4 | -48 | -179.7 | -56.4 | 175.3 | 0 | 0 | 0 | 110.3 | I1167 M1169 F1210 I1221 F1223 C1554 I1555 P1556 R1561 L1562 | I1167-I1558 HydrophobicContact CD1-CG2 4.46Å; I1167-I1558 HydrophobicContact CG2-CD1 4.04Å; I1167-I1558 HydrophobicContact CG2-CG2 4.11Å; M1169-I1558 HydrophobicContact SD-CD1 4.26Å; F1210-I1558 HydrophobicContact CZ-CG2 4.22Å; I1221-I1558 HydrophobicContact CD1-CB 4.36Å; I1221-I1558 HydrophobicContact CD1-CD1 3.57Å; I1221-I1558 HydrophobicContact CD1-CG1 3.44Å; I1221-I1558 VanDerWaalsContact CD1-CG1 3.44Å; I1221-I1558 HydrophobicContact CD1-CG2 4.16Å; I1221-I1558 HydrophobicContact CG2-CG2 4.28Å; F1223-I1558 HydrophobicContact CZ-CG2 3.95Å; C1554-I1558 HydrophobicContact CB-CD1 3.75Å; C1554-I1558 HydrophobicContact CB-CG1 4.29Å; C1554-I1558 WeakPolarHBondContact O-CG1 3.49Å; C1554-I1558 PolarHBondContact O-N 2.84Å; I1555-I1558 PolarHBondContact O-N 3.11Å; P1556-I1558 VanDerWaalsContact C-N 3.33Å; P1556-I1558 PolarHBondContact O-N 3.04Å; I1558-R1561 PolarHBondContact O-N 3.17Å; I1558-L1562 WeakPolarHBondContact O-CB 3.2Å; I1558-L1562 PolarHBondContact O-N 3.06Å |
| 1559 | L | 90.9 | Very high | 89.7 | Confident | 16 Ų | 16 | 7.2 Ų | 7.2 | 8% | 0.084 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 178.2 | -71.9 | 171.9 | 0 | 0 | 0 | 111.9 | L1198 F1263 V1288 I1555 R1561 L1562 E1563 W2035 P2038 | L1198-L1559 HydrophobicContact CD1-CD2 4.21Å; L1198-L1559 HydrophobicContact CD2-CD2 3.87Å; F1263-L1559 HydrophobicContact CZ-CD1 4.23Å; V1288-L1559 HydrophobicContact CG2-CD1 4.14Å; I1555-L1559 HydrophobicContact CG2-CD1 3.55Å; I1555-L1559 HydrophobicContact CG2-CG 4.09Å; I1555-L1559 WeakPolarHBondContact O-CB 3.29Å; I1555-L1559 WeakPolarHBondContact O-CG 3.48Å; I1555-L1559 PolarHBondContact O-N 3.02Å; L1559-R1561 VanDerWaalsContact C-N 3.32Å; L1559-R1561 PolarHBondContact O-N 3.21Å; L1559-L1562 HydrophobicContact CD2-CD2 4.5Å; L1559-L1562 WeakPolarHBondContact O-CB 3.44Å; L1559-L1562 PolarHBondContact O-N 3.4Å; L1559-E1563 WeakPolarHBondContact O-CB 3.07Å; L1559-E1563 PolarHBondContact O-N 3.09Å; L1559-W2035 HydrophobicContact CB-CH2 4.27Å; L1559-W2035 HydrophobicContact CB-CZ2 3.79Å; L1559-W2035 HydrophobicContact CD1-CH2 4Å; L1559-W2035 HydrophobicContact CD1-CZ2 4.18Å; L1559-P2038 HydrophobicContact CD1-CG 3.78Å |
| 1560 | Y | 89.8 | Confident | 89.7 | Confident | 7 Ų | 7 | 8.1 Ų | 8.1 | 3% | 0.027 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 175.9 | -176.4 | -94.5 | 0 | 0 | 0 | 112.2 | L1478 P1556 H1564 I2025 F2029 W2035 | L1478-Y1560 HydrophobicContact CD1-CD1 3.77Å; L1478-Y1560 HydrophobicContact CD1-CE1 4.19Å; P1556-Y1560 WeakPolarHBondContact O-CB 3.46Å; P1556-Y1560 PolarHBondContact O-N 3.35Å; Y1560-H1564 AromaticContact CD2-CE1 3.73Å; Y1560-H1564 AromaticContact CE1-CE1 3.9Å; Y1560-H1564 AromaticContact CE1-ND1 3.95Å; Y1560-H1564 AromaticContact CE2-CE1 3.38Å; Y1560-H1564 WeakPolarHBondContact CE2-CE1 3.39Å; Y1560-H1564 AromaticContact CZ-CE1 3.48Å; Y1560-H1564 VanDerWaalsContact CZ-CE1 3.48Å; Y1560-H1564 PolarHBondContact O-N 3.29Å; Y1560-H1564 PolarHBondContact O-ND1 2.89Å; Y1560-I2025 WeakPolarHBondContact OH-CG2 3.49Å; Y1560-F2029 HydrophobicContact CD1-CB 4.33Å; Y1560-F2029 HydrophobicContact CD1-CD1 4.32Å; Y1560-F2029 AromaticContact CD1-CD2 3.87Å; Y1560-F2029 HydrophobicContact CD1-CD2 3.87Å; Y1560-F2029 HydrophobicContact CD1-CE2 4.19Å; Y1560-F2029 AromaticContact CD1-CG 3.92Å; Y1560-F2029 HydrophobicContact CD1-CG 3.92Å; Y1560-F2029 AromaticContact CD2-CD2 3.32Å; Y1560-F2029 HydrophobicContact CD2-CD2 3.32Å; Y1560-F2029 AromaticContact CD2-CE2 3.34Å; Y1560-F2029 HydrophobicContact CD2-CE2 3.34Å; Y1560-F2029 HydrophobicContact CD2-CG 4.2Å; Y1560-F2029 HydrophobicContact CD2-CZ 4.24Å; Y1560-F2029 HydrophobicContact CE1-CB 3.89Å; Y1560-F2029 AromaticContact CE1-CD2 3.99Å; Y1560-F2029 HydrophobicContact CE1-CD2 3.99Å; Y1560-F2029 AromaticContact CE1-CG 3.96Å; Y1560-F2029 HydrophobicContact CE1-CG 3.96Å; Y1560-F2029 HydrophobicContact CE2-CB 4.47Å; Y1560-F2029 AromaticContact CE2-CD2 3.44Å; Y1560-F2029 HydrophobicContact CE2-CD2 3.44Å; Y1560-F2029 VanDerWaalsContact CE2-CD2 3.44Å; Y1560-F2029 AromaticContact CE2-CE2 3.96Å; Y1560-F2029 HydrophobicContact CE2-CE2 3.96Å; Y1560-F2029 HydrophobicContact CE2-CG 4.22Å; Y1560-F2029 HydrophobicContact CG-CD1 4.44Å; Y1560-F2029 AromaticContact CG-CD2 3.51Å; Y1560-F2029 HydrophobicContact CG-CD2 3.51Å; Y1560-F2029 HydrophobicContact CG-CE1 4.4Å; Y1560-F2029 AromaticContact CG-CE2 3.45Å; Y1560-F2029 HydrophobicContact CG-CE2 3.45Å; Y1560-F2029 VanDerWaalsContact CG-CE2 3.45Å; Y1560-F2029 HydrophobicContact CG-CG 4.02Å; Y1560-F2029 AromaticContact CG-CZ 3.91Å; Y1560-F2029 HydrophobicContact CG-CZ 3.91Å; Y1560-F2029 AromaticContact CZ-CD2 3.77Å; Y1560-W2035 AromaticContact CD2-CD1 3.72Å; Y1560-W2035 HydrophobicContact CD2-CG 4.42Å |
| 1561 | R | 90.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.008 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -71.1 | -38.4 | 177 | -169 | 49.6 | 147.2 | -148.4 | -12 | 112.5 | F1210 L1478 S1557 I1558 L1559 L1565 D1963 I1965 | F1210-R1561 HydrophobicContact CD1-CG 4.21Å; F1210-R1561 HydrophobicContact CD2-CB 4.21Å; F1210-R1561 HydrophobicContact CD2-CG 3.64Å; F1210-R1561 HydrophobicContact CE1-CG 4.24Å; F1210-R1561 HydrophobicContact CE2-CB 3.74Å; F1210-R1561 HydrophobicContact CE2-CG 3.69Å; F1210-R1561 HydrophobicContact CG-CG 3.91Å; F1210-R1561 HydrophobicContact CZ-CB 3.93Å; F1210-R1561 HydrophobicContact CZ-CG 3.99Å; L1478-R1561 HydrophobicContact CD2-CB 4.16Å; S1557-R1561 WeakPolarHBondContact O-CB 3.43Å; S1557-R1561 PolarHBondContact O-N 3.27Å; I1558-R1561 PolarHBondContact O-N 3.17Å; L1559-R1561 VanDerWaalsContact C-N 3.32Å; L1559-R1561 PolarHBondContact O-N 3.21Å; R1561-L1565 HydrophobicContact CG-CD1 4.2Å; R1561-L1565 WeakPolarHBondContact O-CB 3.37Å; R1561-L1565 WeakPolarHBondContact O-CG 3.28Å; R1561-L1565 PolarHBondContact O-N 2.7Å; R1561-D1963 IonicContact CZ-OD2 3.81Å; R1561-D1963 IonicContact NH1-OD1 2.6Å; R1561-D1963 IonicContact NH1-OD2 2.89Å; R1561-D1963 PolarHBondContact NH1-OD2 3.28Å; R1561-D1963 IonicContact NH2-OD1 3.09Å; R1561-D1963 IonicContact NH2-OD2 3.88Å; R1561-D1963 PolarHBondContact NH2-OD2 2.97Å; R1561-I1965 VanDerWaalsContact NH2-CD1 3.28Å |
| 1562 | L | 90.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 5 Ų | 5 | 1% | 0.01 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 173.3 | 173.5 | 64.3 | 0 | 0 | 0 | 111.9 | L1198 I1207 F1223 I1558 L1559 H1564 L1565 L1566 | L1198-L1562 HydrophobicContact CD1-CD2 3.47Å; L1198-L1562 VanDerWaalsContact CD1-CD2 3.47Å; I1207-L1562 HydrophobicContact CD1-CD1 3.4Å; I1207-L1562 HydrophobicContact CG1-CD1 3.69Å; I1207-L1562 HydrophobicContact CG2-CD1 4.24Å; F1223-L1562 HydrophobicContact CE1-CD2 4.08Å; F1223-L1562 HydrophobicContact CE2-CD1 4.3Å; F1223-L1562 HydrophobicContact CZ-CB 4.39Å; F1223-L1562 HydrophobicContact CZ-CD1 4.24Å; F1223-L1562 HydrophobicContact CZ-CD2 3.95Å; F1223-L1562 HydrophobicContact CZ-CG 4.43Å; I1558-L1562 WeakPolarHBondContact O-CB 3.2Å; I1558-L1562 PolarHBondContact O-N 3.06Å; L1559-L1562 HydrophobicContact CD2-CD2 4.5Å; L1559-L1562 WeakPolarHBondContact O-CB 3.44Å; L1559-L1562 PolarHBondContact O-N 3.4Å; L1562-H1564 PolarHBondContact O-N 3.07Å; L1562-L1565 PolarHBondContact O-N 3.01Å; L1562-L1566 HydrophobicContact CD1-CD1 4.07Å; L1562-L1566 HydrophobicContact CD1-CG 4.17Å; L1562-L1566 HydrophobicContact CG-CD1 4.08Å; L1562-L1566 WeakPolarHBondContact O-CG 3.03Å; L1562-L1566 PolarHBondContact O-N 3.48Å |
| 1563 | E | 90.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 7.1 Ų | 7.1 | 4% | 0.037 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -52.8 | -50.6 | 178.7 | -175.9 | 178.2 | -173.6 | 0 | 0 | 111.5 | P1146 L1559 L1566 L1567 W2035 | P1146-E1563 HydrophobicContact CG-CG 3.88Å; P1146-E1563 WeakPolarHBondContact CG-O 3.43Å; L1559-E1563 WeakPolarHBondContact O-CB 3.07Å; L1559-E1563 PolarHBondContact O-N 3.09Å; E1563-L1566 PolarHBondContact O-N 2.96Å; E1563-L1567 WeakPolarHBondContact O-CG 3.32Å; E1563-L1567 PolarHBondContact O-N 3.04Å; E1563-W2035 PolarHBondContact OE2-NE1 3.25Å |
| 1564 | H | 89.6 | Confident | 89.6 | Confident | 9 Ų | 9 | 10.5 Ų | 10.5 | 4% | 0.042 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -74.7 | -30 | -178.8 | -64.9 | 85.7 | 0 | 0 | 0 | 113.5 | Y1560 L1562 L1566 L1567 A1568 L1953 I2025 | Y1560-H1564 AromaticContact CD2-CE1 3.73Å; Y1560-H1564 AromaticContact CE1-CE1 3.9Å; Y1560-H1564 AromaticContact CE1-ND1 3.95Å; Y1560-H1564 AromaticContact CE2-CE1 3.38Å; Y1560-H1564 WeakPolarHBondContact CE2-CE1 3.39Å; Y1560-H1564 AromaticContact CZ-CE1 3.48Å; Y1560-H1564 VanDerWaalsContact CZ-CE1 3.48Å; Y1560-H1564 PolarHBondContact O-N 3.29Å; Y1560-H1564 PolarHBondContact O-ND1 2.89Å; L1562-H1564 PolarHBondContact O-N 3.07Å; H1564-L1566 VanDerWaalsContact C-N 3.35Å; H1564-L1567 PolarHBondContact O-N 3.41Å; H1564-A1568 WeakPolarHBondContact O-CB 3.28Å; H1564-A1568 PolarHBondContact O-N 3.46Å; H1564-L1953 HydrophobicContact CB-CD1 3.72Å; H1564-L1953 HydrophobicContact CB-CD2 4.5Å; H1564-I2025 HydrophobicContact CB-CD1 4.04Å; H1564-I2025 WeakPolarHBondContact CD2-CD1 3.28Å; H1564-I2025 VanDerWaalsContact CD2-CG1 3.42Å; H1564-I2025 WeakPolarHBondContact CD2-CG1 3.39Å |
| 1565 | L | 90.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 170.4 | -76.8 | 168.9 | 0 | 0 | 0 | 111.9 | I1207 P1208 F1210 R1561 L1562 A1568 E1569 P1949 L1953 | I1207-L1565 HydrophobicContact CG2-CD1 4.35Å; P1208-L1565 HydrophobicContact CG-CD1 4.37Å; P1208-L1565 HydrophobicContact CG-CD2 3.96Å; F1210-L1565 HydrophobicContact CD1-CD1 3.37Å; F1210-L1565 HydrophobicContact CE1-CD1 3.69Å; F1210-L1565 HydrophobicContact CG-CD1 4.22Å; R1561-L1565 HydrophobicContact CG-CD1 4.2Å; R1561-L1565 WeakPolarHBondContact O-CB 3.37Å; R1561-L1565 WeakPolarHBondContact O-CG 3.28Å; R1561-L1565 PolarHBondContact O-N 2.7Å; L1562-L1565 PolarHBondContact O-N 3.01Å; L1565-A1568 PolarHBondContact O-N 2.62Å; L1565-E1569 WeakPolarHBondContact O-CB 3.41Å; L1565-E1569 PolarHBondContact O-N 2.7Å; L1565-P1949 HydrophobicContact CD2-CB 4.21Å; L1565-L1953 HydrophobicContact CD2-CD2 3.66Å; L1565-L1953 HydrophobicContact CG-CD2 3.89Å |
| 1566 | L | 90.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 173.5 | -68.1 | 169.5 | 0 | 0 | 0 | 111.7 | P1146 I1149 L1204 L1562 E1563 H1564 A1568 E1569 E1570 | P1146-L1566 HydrophobicContact CB-CB 3.77Å; P1146-L1566 HydrophobicContact CB-CD1 4.35Å; P1146-L1566 HydrophobicContact CG-CB 4.06Å; P1146-L1566 HydrophobicContact CG-CD1 4.49Å; I1149-L1566 HydrophobicContact CD1-CD1 4.1Å; I1149-L1566 HydrophobicContact CG1-CD1 4.24Å; I1149-L1566 HydrophobicContact CG2-CD1 3.96Å; L1204-L1566 HydrophobicContact CD2-CD1 4.24Å; L1204-L1566 HydrophobicContact CD2-CD2 4.49Å; L1562-L1566 HydrophobicContact CD1-CD1 4.07Å; L1562-L1566 HydrophobicContact CD1-CG 4.17Å; L1562-L1566 HydrophobicContact CG-CD1 4.08Å; L1562-L1566 WeakPolarHBondContact O-CG 3.03Å; L1562-L1566 PolarHBondContact O-N 3.48Å; E1563-L1566 PolarHBondContact O-N 2.96Å; H1564-L1566 VanDerWaalsContact C-N 3.35Å; L1566-A1568 VanDerWaalsContact C-N 3.32Å; L1566-A1568 PolarHBondContact O-N 3.37Å; L1566-E1569 PolarHBondContact O-N 2.78Å; L1566-E1570 PolarHBondContact O-N 3.16Å |
| 1567 | L | 90.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.6 | -34.4 | 173.8 | -69.1 | 172.6 | 0 | 0 | 0 | 113.2 | K1144 P1146 E1563 H1564 L1571 R2023 | K1144-L1567 HydrophobicContact CB-CD2 4.28Å; K1144-L1567 HydrophobicContact CD-CD2 4.34Å; K1144-L1567 HydrophobicContact CG-CD2 4.42Å; K1144-L1567 WeakPolarHBondContact O-CD1 3.49Å; P1146-L1567 HydrophobicContact CB-CD2 4.29Å; P1146-L1567 HydrophobicContact CG-CD2 4.2Å; P1146-L1567 HydrophobicContact CG-CG 4.08Å; E1563-L1567 WeakPolarHBondContact O-CG 3.32Å; E1563-L1567 PolarHBondContact O-N 3.04Å; H1564-L1567 PolarHBondContact O-N 3.41Å; L1567-L1571 WeakPolarHBondContact O-CB 3.22Å; L1567-L1571 PolarHBondContact O-N 3.18Å; L1567-R2023 PolarHBondContact O-NH1 3.5Å |
| 1568 | A | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.3 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | H1564 L1565 L1566 L1571 R1572 P1949 I1952 L1953 L1956 | H1564-A1568 WeakPolarHBondContact O-CB 3.28Å; H1564-A1568 PolarHBondContact O-N 3.46Å; L1565-A1568 PolarHBondContact O-N 2.62Å; L1566-A1568 VanDerWaalsContact C-N 3.32Å; L1566-A1568 PolarHBondContact O-N 3.37Å; A1568-L1571 PolarHBondContact O-N 3.09Å; A1568-R1572 PolarHBondContact O-N 3.42Å; A1568-P1949 WeakPolarHBondContact CB-O 3.41Å; A1568-I1952 HydrophobicContact CB-CB 4.37Å; A1568-I1952 HydrophobicContact CB-CG2 4.02Å; A1568-L1953 HydrophobicContact CB-CB 4.03Å; A1568-L1956 HydrophobicContact CB-CD1 4.26Å |
| 1569 | E | 88.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | 175.2 | 171 | 56.3 | -163.3 | 0 | 0 | 112.4 | H1205 L1565 L1566 L1571 R1572 H1573 P1949 | H1205-E1569 HydrophobicContact CB-CG 3.68Å; H1205-E1569 WeakPolarHBondContact ND1-CG 3.33Å; H1205-E1569 IonicContact ND1-OE1 2.85Å; H1205-E1569 PolarHBondContact ND1-OE1 2.75Å; H1205-E1569 VanDerWaalsContact ND1-OE1 3.09Å; L1565-E1569 WeakPolarHBondContact O-CB 3.41Å; L1565-E1569 PolarHBondContact O-N 2.7Å; L1566-E1569 PolarHBondContact O-N 2.78Å; E1569-L1571 VanDerWaalsContact C-N 3.32Å; E1569-L1571 PolarHBondContact O-N 3.44Å; E1569-R1572 PolarHBondContact O-N 3.43Å; E1569-R1572 IonicContact OE1-CZ 3.4Å; E1569-R1572 IonicContact OE1-NE 3.61Å; E1569-R1572 IonicContact OE1-NH2 2.83Å; E1569-R1572 PolarHBondContact OE1-NH2 3.49Å; E1569-R1572 IonicContact OE2-CZ 3.41Å; E1569-R1572 IonicContact OE2-NE 3.25Å; E1569-R1572 PolarHBondContact OE2-NE 3.01Å; E1569-R1572 IonicContact OE2-NH2 2.8Å; E1569-R1572 PolarHBondContact OE2-NH2 3.33Å; E1569-H1573 VanDerWaalsContact O-CB 3.28Å; E1569-H1573 WeakPolarHBondContact O-CB 3.38Å; E1569-H1573 PolarHBondContact O-N 3.05Å; E1569-P1949 HydrophobicContact CB-CB 4.38Å; E1569-P1949 HydrophobicContact CB-CG 4.33Å |
| 1570 | E | 88.4 | Confident | 86.8 | Confident | 19 Ų | 19 | 24.5 Ų | 24.5 | 9% | 0.089 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 167.6 | -82.4 | -172.1 | -176.1 | 0 | 0 | 111.8 | T1147 L1566 H1573 R1574 R2023 | T1147-E1570 WeakPolarHBondContact CB-OE1 3.3Å; T1147-E1570 WeakPolarHBondContact CG2-OE1 3.48Å; T1147-E1570 PolarHBondContact N-OE1 2.92Å; T1147-E1570 PolarHBondContact OG1-OE1 2.6Å; L1566-E1570 PolarHBondContact O-N 3.16Å; E1570-H1573 PolarHBondContact O-N 3.07Å; E1570-R1574 WeakPolarHBondContact O-CB 3.38Å; E1570-R1574 PolarHBondContact O-N 2.91Å; E1570-R2023 IonicContact OE2-CZ 3.73Å; E1570-R2023 VanDerWaalsContact OE2-CZ 3.27Å; E1570-R2023 IonicContact OE2-NH1 3.79Å; E1570-R2023 PolarHBondContact OE2-NH1 2.79Å; E1570-R2023 IonicContact OE2-NH2 2.75Å; E1570-R2023 PolarHBondContact OE2-NH2 3.1Å |
| 1571 | L | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 179.7 | -176.1 | 61.4 | 0 | 0 | 0 | 111 | L1567 A1568 E1569 R1574 I1575 I1952 L1956 L2020 L2135 W2154 | L1567-L1571 WeakPolarHBondContact O-CB 3.22Å; L1567-L1571 PolarHBondContact O-N 3.18Å; A1568-L1571 PolarHBondContact O-N 3.09Å; E1569-L1571 VanDerWaalsContact C-N 3.32Å; E1569-L1571 PolarHBondContact O-N 3.44Å; L1571-R1574 PolarHBondContact O-N 3.04Å; L1571-I1575 HydrophobicContact CD1-CD1 4.13Å; L1571-I1575 HydrophobicContact CD1-CG1 4.43Å; L1571-I1575 HydrophobicContact CG-CD1 3.96Å; L1571-I1575 VanDerWaalsContact O-CG1 3.3Å; L1571-I1575 WeakPolarHBondContact O-CG1 3.14Å; L1571-I1575 PolarHBondContact O-N 2.88Å; L1571-I1952 HydrophobicContact CD2-CG2 4.16Å; L1571-L1956 HydrophobicContact CD2-CD1 4.14Å; L1571-L1956 HydrophobicContact CD2-CD2 4.09Å; L1571-L1956 HydrophobicContact CD2-CG 4.5Å; L1571-L2020 HydrophobicContact CD1-CD2 4.17Å; L1571-L2020 HydrophobicContact CD2-CD2 3.95Å; L1571-L2135 HydrophobicContact CD2-CD1 4.48Å; L1571-W2154 HydrophobicContact CD1-CH2 4.49Å |
| 1572 | R | 88.2 | Confident | 84.2 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -49.6 | 171.9 | -167.2 | -167.2 | 66.9 | 71.1 | 15.6 | 111.1 | A1568 E1569 I1575 A1576 C1583 A1584 P1947 I1952 | A1568-R1572 PolarHBondContact O-N 3.42Å; E1569-R1572 PolarHBondContact O-N 3.43Å; E1569-R1572 IonicContact OE1-CZ 3.4Å; E1569-R1572 IonicContact OE1-NE 3.61Å; E1569-R1572 IonicContact OE1-NH2 2.83Å; E1569-R1572 PolarHBondContact OE1-NH2 3.49Å; E1569-R1572 IonicContact OE2-CZ 3.41Å; E1569-R1572 IonicContact OE2-NE 3.25Å; E1569-R1572 PolarHBondContact OE2-NE 3.01Å; E1569-R1572 IonicContact OE2-NH2 2.8Å; E1569-R1572 PolarHBondContact OE2-NH2 3.33Å; R1572-I1575 PolarHBondContact O-N 3.48Å; R1572-A1576 VanDerWaalsContact O-CB 3.29Å; R1572-A1576 WeakPolarHBondContact O-CB 3.41Å; R1572-A1576 PolarHBondContact O-N 3.19Å; R1572-C1583 PolarHBondContact NH1-O 2.97Å; R1572-A1584 PolarHBondContact NH2-O 2.99Å; R1572-P1947 VanDerWaalsContact CD-O 3.24Å; R1572-P1947 WeakPolarHBondContact CD-O 3.33Å; R1572-I1952 HydrophobicContact CB-CD1 3.53Å; R1572-I1952 HydrophobicContact CG-CD1 3.59Å |
| 1573 | H | 84.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 28.6 Ų | 28.6 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 179.5 | -175.2 | 84.6 | 0 | 0 | 0 | 111.4 | E1569 E1570 A1576 C1577 A1584 Y1585 | E1569-H1573 VanDerWaalsContact O-CB 3.28Å; E1569-H1573 WeakPolarHBondContact O-CB 3.38Å; E1569-H1573 PolarHBondContact O-N 3.05Å; E1570-H1573 PolarHBondContact O-N 3.07Å; H1573-A1576 PolarHBondContact O-N 3.03Å; H1573-C1577 WeakPolarHBondContact O-CB 3.45Å; H1573-C1577 PolarHBondContact O-N 3.12Å; H1573-C1577 PolarHBondContact O-SG 2.9Å; H1573-A1584 PolarHBondContact ND1-O 2.79Å; H1573-Y1585 AromaticContact CE1-CE1 3.83Å; H1573-Y1585 AromaticContact CE1-CZ 3.67Å |
| 1574 | R | 86.9 | Confident | 81 | Confident | 86 Ų | 86 | 29.6 Ų | 29.6 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 175.8 | -174.3 | 179.2 | -176.5 | -178.4 | 5.2 | 111.9 | E1570 L1571 C1577 E1578 K2018 | E1570-R1574 WeakPolarHBondContact O-CB 3.38Å; E1570-R1574 PolarHBondContact O-N 2.91Å; L1571-R1574 PolarHBondContact O-N 3.04Å; R1574-C1577 PolarHBondContact O-N 3.16Å; R1574-E1578 HydrophobicContact CG-CG 4.49Å; R1574-E1578 VanDerWaalsContact CG-OE1 3.3Å; R1574-E1578 WeakPolarHBondContact CG-OE1 3.31Å; R1574-E1578 IonicContact CZ-OE1 3.18Å; R1574-E1578 IonicContact NE-OE1 2.73Å; R1574-E1578 PolarHBondContact NE-OE1 3.33Å; R1574-E1578 IonicContact NH2-OE1 3.04Å; R1574-E1578 PolarHBondContact NH2-OE1 3.37Å; R1574-E1578 WeakPolarHBondContact O-CB 3.22Å; R1574-E1578 WeakPolarHBondContact O-CG 3.37Å; R1574-E1578 PolarHBondContact O-N 2.71Å; R1574-K2018 PolarHBondContact NH1-O 3.34Å |
| 1575 | I | 86.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 177.9 | -67.1 | 163.2 | 0 | 0 | 0 | 110.1 | L1571 R1572 C1577 E1578 T1579 Y2139 L2151 W2154 | L1571-I1575 HydrophobicContact CD1-CD1 4.13Å; L1571-I1575 HydrophobicContact CD1-CG1 4.43Å; L1571-I1575 HydrophobicContact CG-CD1 3.96Å; L1571-I1575 VanDerWaalsContact O-CG1 3.3Å; L1571-I1575 WeakPolarHBondContact O-CG1 3.14Å; L1571-I1575 PolarHBondContact O-N 2.88Å; R1572-I1575 PolarHBondContact O-N 3.48Å; I1575-C1577 VanDerWaalsContact C-N 3.33Å; I1575-C1577 PolarHBondContact O-N 3.33Å; I1575-E1578 PolarHBondContact O-N 2.79Å; I1575-T1579 HydrophobicContact CG2-CG2 4.27Å; I1575-T1579 WeakPolarHBondContact O-CB 3.46Å; I1575-T1579 WeakPolarHBondContact O-CG2 3.49Å; I1575-T1579 PolarHBondContact O-N 2.72Å; I1575-T1579 PolarHBondContact O-OG1 3.06Å; I1575-Y2139 HydrophobicContact CD1-CE2 4.21Å; I1575-Y2139 HydrophobicContact CG2-CE1 4.08Å; I1575-Y2139 WeakPolarHBondContact CG2-OH 3.32Å; I1575-L2151 HydrophobicContact CD1-CD1 4.08Å; I1575-L2151 HydrophobicContact CG1-CD1 4.37Å; I1575-L2151 HydrophobicContact CG2-CD1 3.65Å; I1575-W2154 HydrophobicContact CD1-CH2 4.46Å; I1575-W2154 HydrophobicContact CD1-CZ3 4.41Å; I1575-W2154 HydrophobicContact CG1-CE3 4.39Å; I1575-W2154 HydrophobicContact CG1-CH2 3.86Å; I1575-W2154 HydrophobicContact CG1-CZ2 3.99Å; I1575-W2154 HydrophobicContact CG1-CZ3 4.08Å |
| 1576 | A | 83.4 | Confident | 77.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1572 H1573 N1580 | R1572-A1576 VanDerWaalsContact O-CB 3.29Å; R1572-A1576 WeakPolarHBondContact O-CB 3.41Å; R1572-A1576 PolarHBondContact O-N 3.19Å; H1573-A1576 PolarHBondContact O-N 3.03Å; A1576-N1580 WeakPolarHBondContact O-CA 3.23Å; A1576-N1580 PolarHBondContact O-N 3.26Å |
| 1577 | C | 81 | Confident | 75.5 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 47% | 0.466 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 177.6 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | H1573 R1574 I1575 | H1573-C1577 WeakPolarHBondContact O-CB 3.45Å; H1573-C1577 PolarHBondContact O-N 3.12Å; H1573-C1577 PolarHBondContact O-SG 2.9Å; R1574-C1577 PolarHBondContact O-N 3.16Å; I1575-C1577 VanDerWaalsContact C-N 3.33Å; I1575-C1577 PolarHBondContact O-N 3.33Å |
| 1578 | E | 84.6 | Confident | 73.1 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -80.6 | -15.1 | 179.7 | -71.2 | -176.5 | -150.5 | 0 | 0 | 113.6 | R1574 I1575 K2018 W2154 | R1574-E1578 HydrophobicContact CG-CG 4.49Å; R1574-E1578 VanDerWaalsContact CG-OE1 3.3Å; R1574-E1578 WeakPolarHBondContact CG-OE1 3.31Å; R1574-E1578 IonicContact CZ-OE1 3.18Å; R1574-E1578 IonicContact NE-OE1 2.73Å; R1574-E1578 PolarHBondContact NE-OE1 3.33Å; R1574-E1578 IonicContact NH2-OE1 3.04Å; R1574-E1578 PolarHBondContact NH2-OE1 3.37Å; R1574-E1578 WeakPolarHBondContact O-CB 3.22Å; R1574-E1578 WeakPolarHBondContact O-CG 3.37Å; R1574-E1578 PolarHBondContact O-N 2.71Å; I1575-E1578 PolarHBondContact O-N 2.79Å; E1578-K2018 IonicContact OE2-NZ 3.49Å; E1578-W2154 PolarHBondContact OE2-NE1 2.76Å |
| 1579 | T | 77 | Confident | 70.3 | Confident | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -128.2 | -9 | -173.8 | 66.6 | 0 | 0 | 0 | 0 | 116 | I1575 L1581 W2154 | I1575-T1579 HydrophobicContact CG2-CG2 4.27Å; I1575-T1579 WeakPolarHBondContact O-CB 3.46Å; I1575-T1579 WeakPolarHBondContact O-CG2 3.49Å; I1575-T1579 PolarHBondContact O-N 2.72Å; I1575-T1579 PolarHBondContact O-OG1 3.06Å; T1579-L1581 PolarHBondContact O-N 3.38Å; T1579-L1581 VanDerWaalsContact OG1-CB 3.25Å; T1579-L1581 WeakPolarHBondContact OG1-CB 3.47Å; T1579-L1581 VanDerWaalsContact OG1-CG 3.29Å; T1579-L1581 WeakPolarHBondContact OG1-CG 3.5Å; T1579-L1581 PolarHBondContact OG1-N 3.02Å; T1579-L1581 VanDerWaalsContact OG1-N 3.15Å; T1579-W2154 HydrophobicContact CG2-CB 3.57Å; T1579-W2154 VanDerWaalsContact CG2-CD1 3.43Å; T1579-W2154 HydrophobicContact CG2-CG 3.59Å |
| 1580 | N | 72.5 | Confident | 67.4 | Low | 133 Ų | 133 | 56.5 Ų | 56.5 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | trans | 55.2 | 26.6 | -165.5 | -60.5 | -64.9 | 0 | 0 | 0 | 114.1 | A1576 G1582 | A1576-N1580 WeakPolarHBondContact O-CA 3.23Å; A1576-N1580 PolarHBondContact O-N 3.26Å; N1580-G1582 PolarHBondContact O-N 3.28Å | ||
| 1581 | L | 66.7 | Low | 64.6 | Low | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | trans | -84.8 | 91.6 | 171.7 | -71 | 175.4 | 0 | 0 | 0 | 111.6 | T1579 Y2139 S2147 R2150 L2151 | T1579-L1581 PolarHBondContact O-N 3.38Å; T1579-L1581 VanDerWaalsContact OG1-CB 3.25Å; T1579-L1581 WeakPolarHBondContact OG1-CB 3.47Å; T1579-L1581 VanDerWaalsContact OG1-CG 3.29Å; T1579-L1581 WeakPolarHBondContact OG1-CG 3.5Å; T1579-L1581 PolarHBondContact OG1-N 3.02Å; T1579-L1581 VanDerWaalsContact OG1-N 3.15Å; L1581-Y2139 HydrophobicContact CB-CE1 4.31Å; L1581-Y2139 HydrophobicContact CD1-CD1 4.05Å; L1581-Y2139 HydrophobicContact CD1-CE1 4.16Å; L1581-S2147 WeakPolarHBondContact CD1-O 3.44Å; L1581-R2150 HydrophobicContact CD1-CB 3.88Å; L1581-R2150 HydrophobicContact CD2-CB 4.06Å; L1581-R2150 HydrophobicContact CG-CB 4.13Å; L1581-L2151 HydrophobicContact CD1-CB 4.5Å | ||
| 1582 | G | 59.1 | Low | 61.7 | Low | 24 Ų | 24 | 69.8 Ų | 69.8 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 93.2 | -167.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1580 | N1580-G1582 PolarHBondContact O-N 3.28Š|
| 1583 | C | 56.6 | Low | 59.2 | Low | 58 Ų | 58 | 75.2 Ų | 75.2 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | -94.2 | 129.2 | -179.6 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | R1572 Y1585 Q1946 | R1572-C1583 PolarHBondContact NH1-O 2.97Å; C1583-Y1585 WeakPolarHBondContact CB-O 3.3Å; C1583-Y1585 PolarHBondContact O-N 2.75Å; C1583-Q1946 PolarHBondContact SG-NE2 2.86Å; C1583-Q1946 VanDerWaalsContact SG-NE2 3.38Å | ||
| 1584 | A | 56.8 | Low | 56.9 | Low | 28 Ų | 28 | 82 Ų | 82 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -51.9 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1572 H1573 | R1572-A1584 PolarHBondContact NH2-O 2.99Å; H1573-A1584 PolarHBondContact ND1-O 2.79Å |
| 1585 | Y | 55 | Low | 54.5 | Low | 163 Ų | 163 | 81.5 Ų | 81.5 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -108.6 | 132.6 | 172 | -57.4 | -77.8 | 0 | 0 | 0 | 110.3 | H1573 C1583 | H1573-Y1585 AromaticContact CE1-CE1 3.83Å; H1573-Y1585 AromaticContact CE1-CZ 3.67Å; C1583-Y1585 WeakPolarHBondContact CB-O 3.3Å; C1583-Y1585 PolarHBondContact O-N 2.75Å |
| 1586 | L | 55.4 | Low | 52.5 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 133.2 | 170.6 | -73.2 | 163.6 | 0 | 0 | 0 | 109.3 | ||
| 1587 | P | 43.8 | Very low | 50.6 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.9 | 174.4 | -17 | 30.3 | 0 | 0 | 0 | 111.2 | C1589 | P1587-C1589 PolarHBondContact O-N 2.98Å; P1587-C1589 VanDerWaalsContact O-N 3.09Å |
| 1588 | E | 40.9 | Very low | 48.5 | Very low | 152 Ų | 152 | 86.4 Ų | 86.4 | 71% | 0.71 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 116.4 | 172 | -68.5 | 173 | 145.3 | 0 | 0 | 110.1 | R1943 | E1588-R1943 PolarHBondContact O-NH1 3.29Š|
| 1589 | C | 32 | Very low | 46.3 | Very low | 56 Ų | 56 | 86.6 Ų | 86.6 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | trans | -100.5 | 69.4 | -179.3 | -74.9 | 0 | 0 | 0 | 0 | 110.6 | P1587 K1591 R1943 | P1587-C1589 PolarHBondContact O-N 2.98Å; P1587-C1589 VanDerWaalsContact O-N 3.09Å; C1589-K1591 PolarHBondContact O-N 3.14Å; C1589-R1943 PolarHBondContact SG-NH1 2.79Å | ||
| 1590 | N | 27 | Very low | 44.4 | Very low | 100 Ų | 100 | 87.6 Ų | 87.6 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -68.6 | 108.2 | 165.1 | -69.5 | 36 | 0 | 0 | 0 | 107.8 | D1237 | D1237-N1590 PolarHBondContact OD2-ND2 3.01Š|
| 1591 | K | 29.6 | Very low | 42.5 | Very low | 183 Ų | 183 | 82.2 Ų | 82.2 | 80% | 0.796 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 84.6 | 137.1 | -171.1 | -50.5 | 171.5 | -175.5 | -178.3 | 0 | 114.7 | C1589 | C1589-K1591 PolarHBondContact O-N 3.14Š|
| 1592 | I | 28.3 | Very low | 41 | Very low | 115 Ų | 115 | 84.5 Ų | 84.5 | 59% | 0.59 | 45% | 0.445 | S | S | * | . | trans | 76.2 | 136.2 | 169.7 | -53.1 | 174.4 | 0 | 0 | 0 | 114.2 | I1940 | I1592-I1940 HydrophobicContact CD1-CG2 3.41Å; I1592-I1940 VanDerWaalsContact CD1-CG2 3.41Å | ||
| 1593 | L | 35.3 | Very low | 39.8 | Very low | 119 Ų | 119 | 86.9 Ų | 86.9 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | cis | -104.9 | 174.4 | -5.1 | -68.2 | 88.8 | 0 | 0 | 0 | 112.1 | D1595 | L1593-D1595 HydrophobicContact CB-CB 4.25Å; L1593-D1595 HydrophobicContact CD2-CB 4.05Å | ||
| 1594 | K | 36.8 | Very low | 38.8 | Very low | 185 Ų | 185 | 89.6 Ų | 89.6 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -93.4 | -5.2 | 164.4 | -106.2 | -178.2 | 176 | -178.4 | 0 | 113 | V1598 | K1594-V1598 VanDerWaalsContact O-CG2 3.25Å; K1594-V1598 WeakPolarHBondContact O-CG2 3.19Å |
| 1595 | D | 37.3 | Very low | 37.5 | Very low | 76 Ų | 76 | 92.6 Ų | 92.6 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | trans | -105.2 | -25.2 | -139 | -55.1 | -10.8 | 0 | 0 | 0 | 114 | L1593 F1597 V1598 N1599 | L1593-D1595 HydrophobicContact CB-CB 4.25Å; L1593-D1595 HydrophobicContact CD2-CB 4.05Å; D1595-F1597 PolarHBondContact O-N 2.94Å; D1595-V1598 PolarHBondContact O-N 3.13Å; D1595-N1599 PolarHBondContact O-N 3.22Å; D1595-N1599 VanDerWaalsContact O-N 3.1Å | ||
| 1596 | D | 43.7 | Very low | 36.1 | Very low | 101 Ų | 101 | 93.9 Ų | 93.9 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -31.3 | -177.9 | -62.3 | 18.8 | 0 | 0 | 0 | 114 | ||
| 1597 | F | 42.1 | Very low | 34.5 | Very low | 9 Ų | 9 | 98 Ų | 98 | 4% | 0.039 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -14 | 173.6 | -91.6 | -71.8 | 0 | 0 | 0 | 115.1 | I1209 F1210 P1211 D1595 L1600 S1601 T1950 F1964 | I1209-F1597 WeakPolarHBondContact O-CD2 3.3Å; I1209-F1597 WeakPolarHBondContact O-CE2 3.09Å; F1210-F1597 HydrophobicContact CB-CE2 3.76Å; F1210-F1597 HydrophobicContact CB-CZ 3.86Å; P1211-F1597 HydrophobicContact CG-CD1 3.85Å; P1211-F1597 HydrophobicContact CG-CE1 4.12Å; P1211-F1597 HydrophobicContact CG-CG 4.45Å; D1595-F1597 PolarHBondContact O-N 2.94Å; F1597-L1600 HydrophobicContact CD1-CB 4.2Å; F1597-L1600 HydrophobicContact CD1-CD2 4.32Å; F1597-L1600 HydrophobicContact CE1-CD2 4.23Å; F1597-L1600 PolarHBondContact O-N 3.44Å; F1597-S1601 PolarHBondContact O-N 3.23Å; F1597-S1601 PolarHBondContact O-OG 3.02Å; F1597-T1950 HydrophobicContact CD2-CG2 4.35Å; F1597-T1950 HydrophobicContact CE1-CG2 3.96Å; F1597-T1950 HydrophobicContact CE2-CG2 3.56Å; F1597-T1950 HydrophobicContact CZ-CG2 3.33Å; F1597-F1964 HydrophobicContact CD1-CE2 4.25Å; F1597-F1964 HydrophobicContact CD1-CZ 4.36Å; F1597-F1964 AromaticContact CE1-CE2 3.85Å; F1597-F1964 HydrophobicContact CE1-CE2 3.85Å; F1597-F1964 AromaticContact CE1-CZ 3.69Å; F1597-F1964 HydrophobicContact CE1-CZ 3.69Å |
| 1598 | V | 38.6 | Very low | 33.7 | Very low | 65 Ų | 65 | 98.1 Ų | 98.1 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.9 | -39.3 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | K1220 K1594 D1595 S1602 | K1220-V1598 VanDerWaalsContact NZ-CG2 3.32Å; K1594-V1598 VanDerWaalsContact O-CG2 3.25Å; K1594-V1598 WeakPolarHBondContact O-CG2 3.19Å; D1595-V1598 PolarHBondContact O-N 3.13Å; V1598-S1602 WeakPolarHBondContact O-CB 3.14Å; V1598-S1602 PolarHBondContact O-N 3.24Å; V1598-S1602 VanDerWaalsContact O-N 3.16Å |
| 1599 | N | 36.9 | Very low | 33.1 | Very low | 98 Ų | 98 | 98.7 Ų | 98.7 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 169 | -75.5 | -18.8 | 0 | 0 | 0 | 110 | D1595 S1601 S1602 H1603 | D1595-N1599 PolarHBondContact O-N 3.22Å; D1595-N1599 VanDerWaalsContact O-N 3.1Å; N1599-S1601 PolarHBondContact O-N 3Å; N1599-S1602 PolarHBondContact O-N 3.46Å; N1599-S1602 PolarHBondContact O-OG 3.04Å; N1599-H1603 PolarHBondContact O-CD2 3.21Å |
| 1600 | L | 37.8 | Very low | 32.7 | Very low | 40 Ų | 40 | 102.1 Ų | 102.1 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | -179.8 | -100.4 | 68.3 | 0 | 0 | 0 | 114.5 | F1597 S1602 H1603 I1965 | F1597-L1600 HydrophobicContact CD1-CB 4.2Å; F1597-L1600 HydrophobicContact CD1-CD2 4.32Å; F1597-L1600 HydrophobicContact CE1-CD2 4.23Å; F1597-L1600 PolarHBondContact O-N 3.44Å; L1600-S1602 VanDerWaalsContact C-N 3.34Å; L1600-H1603 PolarHBondContact O-CD2 3.03Å; L1600-I1965 HydrophobicContact CD2-CG2 3.65Å |
| 1601 | S | 33.7 | Very low | 32.5 | Very low | 20 Ų | 20 | 104.6 Ų | 104.6 | 14% | 0.14 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -79.5 | -12.2 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | E1218 F1597 N1599 H1603 | E1218-S1601 PolarHBondContact OE1-OG 2.99Å; E1218-S1601 PolarHBondContact OE2-OG 2.82Å; F1597-S1601 PolarHBondContact O-N 3.23Å; F1597-S1601 PolarHBondContact O-OG 3.02Å; N1599-S1601 PolarHBondContact O-N 3Å; S1601-H1603 VanDerWaalsContact C-N 3.34Å |
| 1602 | S | 33.3 | Very low | 32.3 | Very low | 64 Ų | 64 | 103.2 Ų | 103.2 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.4 | -19.7 | 174.1 | 77.2 | 0 | 0 | 0 | 0 | 114.4 | V1598 N1599 L1600 Y1604 | V1598-S1602 WeakPolarHBondContact O-CB 3.14Å; V1598-S1602 PolarHBondContact O-N 3.24Å; V1598-S1602 VanDerWaalsContact O-N 3.16Å; N1599-S1602 PolarHBondContact O-N 3.46Å; N1599-S1602 PolarHBondContact O-OG 3.04Å; L1600-S1602 VanDerWaalsContact C-N 3.34Å; S1602-Y1604 PolarHBondContact O-N 3.14Å |
| 1603 | H | 35.2 | Very low | 32.1 | Very low | 74 Ų | 74 | 103.6 Ų | 103.6 | 34% | 0.343 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -17.6 | -171 | -86.3 | -90.9 | 0 | 0 | 0 | 116.6 | N1599 L1600 S1601 Q2278 | N1599-H1603 PolarHBondContact O-CD2 3.21Å; L1600-H1603 PolarHBondContact O-CD2 3.03Å; S1601-H1603 VanDerWaalsContact C-N 3.34Å; H1603-Q2278 PolarHBondContact CE1-OE1 3.49Å |
| 1604 | Y | 35 | Very low | 31.5 | Very low | 114 Ų | 114 | 104.6 Ų | 104.6 | 45% | 0.447 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.9 | -5.4 | -167.4 | -74.4 | -75.8 | 0 | 0 | 0 | 114.9 | Y1482 M1483 S1602 | Y1482-Y1604 HydrophobicContact CE2-CD1 4.42Å; Y1482-Y1604 HydrophobicContact CE2-CG 4.11Å; Y1482-Y1604 WeakPolarHBondContact OH-CB 3.29Å; M1483-Y1604 HydrophobicContact CE-CD1 4.12Å; M1483-Y1604 HydrophobicContact CE-CE1 3.48Å; M1483-Y1604 VanDerWaalsContact CE-CE1 3.48Å; M1483-Y1604 HydrophobicContact SD-CD1 4.13Å; M1483-Y1604 HydrophobicContact SD-CE1 3.81Å; M1483-Y1604 HydrophobicContact SD-CE2 4.42Å; S1602-Y1604 PolarHBondContact O-N 3.14Å |
| 1605 | N | 28.9 | Very low | 30.9 | Very low | 92 Ų | 92 | 102.4 Ų | 102.4 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | trans | -107.4 | 66.4 | 177.8 | -89.8 | 68.8 | 0 | 0 | 0 | 111 | Y1482 | Y1482-N1605 WeakPolarHBondContact CE1-OD1 3.47Š| ||
| 1606 | K | 25.7 | Very low | 30.2 | Very low | 190 Ų | 190 | 105.7 Ų | 105.7 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -135.1 | 85.8 | 162.8 | -78.4 | -169 | 176.2 | -178.1 | 0 | 110 | ||||
| 1607 | N | 23.6 | Very low | 29.2 | Very low | 139 Ų | 139 | 105 Ų | 105 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | trans | -179.9 | 129.1 | 154.5 | -89.4 | -12.1 | 0 | 0 | 0 | 105.6 | ||||
| 1608 | G | 26.2 | Very low | 28.2 | Very low | 69 Ų | 69 | 111.4 Ų | 111.4 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 137.5 | 62.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1609 | D | 27.4 | Very low | 27.4 | Very low | 164 Ų | 164 | 115.2 Ų | 115.2 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | 48.8 | 146.2 | 153.1 | -51 | -23.9 | 0 | 0 | 0 | 122.9 | ||||
| 1610 | V | 24 | Very low | 26.8 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -131.4 | 116.6 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1611 | N | 23.8 | Very low | 26.1 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | 150.5 | 87.5 | 149.3 | -80.7 | -33 | 0 | 0 | 0 | 110.8 | ||||
| 1612 | D | 24.7 | Very low | 25.6 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -137.9 | 97.3 | 153.7 | -156.1 | -3 | 0 | 0 | 0 | 107.1 | D1614 | D1612-D1614 VanDerWaalsContact C-N 3.32Å; D1612-D1614 PolarHBondContact O-N 3.39Å; D1612-D1614 VanDerWaalsContact O-N 3.11Å | ||
| 1613 | P | 24.6 | Very low | 25.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | -89.6 | 42.1 | -157.5 | 36.2 | -37.9 | 0 | 0 | 0 | 114.4 | ||||
| 1614 | D | 22.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -150.5 | 75 | 179.7 | -123.7 | -22.5 | 0 | 0 | 0 | 115.3 | D1612 | D1612-D1614 VanDerWaalsContact C-N 3.32Å; D1612-D1614 PolarHBondContact O-N 3.39Å; D1612-D1614 VanDerWaalsContact O-N 3.11Å | ||
| 1615 | T | 24.2 | Very low | 24.3 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | -160.8 | 80.5 | 152.4 | 0.5 | 0 | 0 | 0 | 0 | 113.7 | S1617 | T1615-S1617 PolarHBondContact O-N 3Š| ||
| 1616 | T | 21.8 | Very low | 24 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | trans | -90.4 | 72.7 | 175.6 | 41.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1617 | S | 23 | Very low | 24 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | -166 | 94.4 | 162.1 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | T1615 L1619 | T1615-S1617 PolarHBondContact O-N 3Å; S1617-L1619 VanDerWaalsContact C-N 3.32Å; S1617-L1619 PolarHBondContact O-N 2.87Å | ||
| 1618 | C | 22.6 | Very low | 24 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 97% | 0.966 | 74% | 0.744 | S | S | * | * | trans | -82.1 | 78.3 | 156.6 | -78 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1619 | L | 21.9 | Very low | 24 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -105.5 | 111.4 | 169.6 | -78.6 | 172.2 | 0 | 0 | 0 | 109.9 | S1617 | S1617-L1619 VanDerWaalsContact C-N 3.32Å; S1617-L1619 PolarHBondContact O-N 2.87Å | ||
| 1620 | F | 24.2 | Very low | 23.8 | Very low | 221 Ų | 221 | 131 Ų | 131 | 97% | 0.969 | 74% | 0.737 | S | S | * | * | trans | -135.9 | 61.9 | 167.6 | -97 | -69.8 | 0 | 0 | 0 | 111.5 | ||||
| 1621 | E | 21.3 | Very low | 24.3 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 64% | 0.64 | 73% | 0.732 | S | S | * | * | trans | -140.7 | 96.8 | 155 | -163.7 | 164.2 | -157.3 | 0 | 0 | 104.3 | L1843 | E1621-L1843 PolarHBondContact OE1-N 3.38Š| ||
| 1622 | S | 24 | Very low | 24.1 | Very low | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 73% | 0.728 | S | S | . | * | -160.8 | 144.9 | 74.6 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | N1845 | S1622-N1845 WeakPolarHBondContact CB-OD1 3.4Š| |||
| 1623 | L | 24.3 | Very low | 24.3 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -141.8 | 104.1 | 133.3 | -85.9 | -172.1 | 0 | 0 | 0 | 109 | N1845 | L1623-N1845 VanDerWaalsContact CD2-ND2 3.32Å; L1623-N1845 WeakPolarHBondContact CD2-ND2 3.48Å | ||
| 1624 | N | 25.2 | Very low | 24.3 | Very low | 26 Ų | 26 | 131.1 Ų | 131.1 | 14% | 0.139 | 73% | 0.73 | C | S | . | * | trans | -90.2 | 148.5 | 159.1 | -91.7 | 38 | 0 | 0 | 0 | 109.9 | H1626 L1843 S1844 N1845 | N1624-H1626 HydrophobicContact CB-CB 4.23Å; N1624-L1843 WeakPolarHBondContact OD1-CD2 3.33Å; N1624-S1844 PolarHBondContact ND2-OG 3.27Å; N1624-N1845 HydrophobicContact CB-CB 4.05Å; N1624-N1845 PolarHBondContact N-ND2 3.16Å; N1624-N1845 VanDerWaalsContact N-ND2 3.16Å; N1624-N1845 PolarHBondContact O-ND2 3.28Å | ||
| 1625 | I | 26.3 | Very low | 24.3 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 92% | 0.918 | 73% | 0.729 | S | S | * | * | trans | -107.2 | 122.4 | 132.5 | -61.8 | 177.6 | 0 | 0 | 0 | 105.8 | ||||
| 1626 | H | 24 | Very low | 24.2 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 47% | 0.468 | 72% | 0.724 | S | S | . | * | trans | -123.6 | 158.2 | -177.4 | -148.1 | 24.4 | 0 | 0 | 0 | 109 | N1624 S1844 | N1624-H1626 HydrophobicContact CB-CB 4.23Å; H1626-S1844 PolarHBondContact CD2-OG 3.37Å | ||
| 1627 | L | 23.9 | Very low | 24.3 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | 146.3 | 143.5 | 158.6 | -83.1 | 161.4 | 0 | 0 | 0 | 110.1 | ||||
| 1628 | P | 24.7 | Very low | 24.4 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | cis | -127.3 | 172.4 | -29.7 | 27.7 | -7.6 | 0 | 0 | 0 | 113.4 | ||||
| 1629 | I | 25.5 | Very low | 24.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | -112.1 | 170.3 | 178.8 | -65.6 | 164.5 | 0 | 0 | 0 | 109 | ||||
| 1630 | A | 23.6 | Very low | 24.5 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 104.2 | 156.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1631 | P | 34.4 | Very low | 24.5 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | cis | -136.7 | -161.5 | -43.7 | 38.2 | -21.9 | 0 | 0 | 0 | 112.6 | ||||
| 1632 | D | 20.7 | Very low | 24.7 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | 60.1 | 102.3 | 156.2 | -60 | -17.6 | 0 | 0 | 0 | 119.6 | ||||
| 1633 | H | 28 | Very low | 24.8 | Very low | 197 Ų | 197 | 124 Ų | 124 | 91% | 0.912 | 69% | 0.692 | S | S | * | * | -149.4 | 135.7 | 128.3 | -109.6 | -75.6 | 0 | 0 | 0 | 110.7 | |||||
| 1634 | V | 25 | Very low | 24.6 | Very low | 125 Ų | 125 | 121 Ų | 121 | 76% | 0.758 | 69% | 0.685 | S | S | * | * | trans | -120.3 | 171.1 | -176.5 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1635 | V | 22 | Very low | 24.6 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 94 | 90.9 | 161.6 | -172.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1636 | V | 22.6 | Very low | 24.4 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | 75.3 | 149.5 | 123.3 | 169.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1637 | N | 23 | Very low | 24.4 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | 86.3 | 112.4 | 163.6 | -77.9 | -10.2 | 0 | 0 | 0 | 120.7 | ||||
| 1638 | N | 24.3 | Very low | 24.4 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | 68.8 | 130.8 | 129.5 | -65.7 | 21.9 | 0 | 0 | 0 | 121.6 | |||||
| 1639 | E | 23.9 | Very low | 24.5 | Very low | 170 Ų | 170 | 116.1 Ų | 116.1 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | trans | 65 | 136.9 | 143.2 | -66.7 | 160.6 | -124.1 | 0 | 0 | 117.7 | ||||
| 1640 | S | 24.5 | Very low | 24.6 | Very low | 91 Ų | 91 | 115.2 Ų | 115.2 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | cis | -167.4 | 160.2 | -9.2 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1641 | T | 24.2 | Very low | 24.6 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 66% | 0.656 | S | S | * | * | trans | 54.8 | 127.6 | 165.4 | 56.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1642 | S | 23.9 | Very low | 24.1 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | cis | -165.4 | 146.1 | -2.3 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1643 | K | 26.6 | Very low | 24.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 44% | 0.443 | 68% | 0.676 | S | S | . | * | trans | 62 | 52.8 | 161.6 | -57.6 | -167.7 | 173.5 | -150.5 | 0 | 114.3 | Q1930 L1931 D1932 | K1643-Q1930 HydrophobicContact CD-CB 3.63Å; K1643-Q1930 HydrophobicContact CD-CG 4.36Å; K1643-Q1930 PolarHBondContact NZ-O 3.45Å; K1643-L1931 PolarHBondContact NZ-O 3.04Å; K1643-D1932 WeakPolarHBondContact CA-OD2 3.37Å; K1643-D1932 WeakPolarHBondContact CB-OD2 3.42Å; K1643-D1932 WeakPolarHBondContact CG-OD2 3.33Å | ||
| 1644 | S | 21.1 | Very low | 24 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 67% | 0.673 | S | S | * | * | trans | -75.6 | 153.7 | 130.4 | 65 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1645 | N | 23.7 | Very low | 24.1 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 58% | 0.578 | 67% | 0.669 | S | S | * | * | trans | -26.5 | 132.3 | 147.5 | -79.3 | -21.8 | 0 | 0 | 0 | 113.3 | D1932 | N1645-D1932 PolarHBondContact N-OD1 3.32Å; N1645-D1932 VanDerWaalsContact N-OD1 3.08Å | ||
| 1646 | T | 23.1 | Very low | 24.4 | Very low | 51 Ų | 51 | 127.1 Ų | 127.1 | 31% | 0.313 | 67% | 0.671 | S | S | . | * | cis | 160.9 | 134.3 | 49.7 | -48.5 | 0 | 0 | 0 | 0 | 112.4 | D1932 S1933 E1934 | T1646-D1932 HydrophobicContact CG2-CB 4.1Å; T1646-D1932 VanDerWaalsContact OG1-C 3.3Å; T1646-D1932 WeakPolarHBondContact OG1-CB 3.47Å; T1646-S1933 VanDerWaalsContact CB-C 3.46Å; T1646-S1933 WeakPolarHBondContact CG2-O 3.37Å; T1646-S1933 WeakPolarHBondContact OG1-CA 3.14Å; T1646-S1933 PolarHBondContact OG1-N 3.4Å; T1646-E1934 HydrophobicContact CG2-CB 3.57Å; T1646-E1934 HydrophobicContact CG2-CG 3.53Å; T1646-E1934 VanDerWaalsContact CG2-N 3.3Å | ||
| 1647 | Y | 23 | Very low | 24.5 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 42% | 0.424 | 68% | 0.679 | S | S | . | * | 134.3 | 157 | 115.7 | -156.1 | 17 | 0 | 0 | 0 | 116.6 | E1934 K1935 | Y1647-E1934 WeakPolarHBondContact CB-OE2 3.22Å; Y1647-E1934 HydrophobicContact CD1-CB 3.59Å; Y1647-E1934 WeakPolarHBondContact CD1-O 3.46Å; Y1647-E1934 HydrophobicContact CE1-CB 4.43Å; Y1647-E1934 WeakPolarHBondContact CE1-O 3.22Å; Y1647-E1934 HydrophobicContact CG-CB 3.65Å; Y1647-K1935 HydrophobicContact CD1-CG 4.39Å; Y1647-K1935 HydrophobicContact CD2-CD 4.12Å; Y1647-K1935 HydrophobicContact CD2-CG 4.05Å; Y1647-K1935 HydrophobicContact CE1-CB 4.09Å; Y1647-K1935 HydrophobicContact CE1-CG 4.13Å; Y1647-K1935 VanDerWaalsContact CE1-N 3.32Å; Y1647-K1935 HydrophobicContact CE2-CB 4.46Å; Y1647-K1935 HydrophobicContact CE2-CD 3.59Å; Y1647-K1935 HydrophobicContact CE2-CG 3.78Å; Y1647-K1935 HydrophobicContact CG-CG 4.38Å | |||
| 1648 | N | 25.7 | Very low | 24.7 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 47% | 0.471 | 68% | 0.676 | S | S | . | * | trans | 81 | 162.2 | 144.5 | -95.7 | -19.2 | 0 | 0 | 0 | 119.7 | ||||
| 1649 | N | 26 | Very low | 24.7 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | cis | -148.6 | 173.5 | 9.5 | -138.7 | -32.1 | 0 | 0 | 0 | 115.6 | ||||
| 1650 | N | 28.1 | Very low | 24.7 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | trans | -71.8 | 178.9 | -178.1 | -59.1 | -78.4 | 0 | 0 | 0 | 116.1 | ||||
| 1651 | N | 23.5 | Very low | 24.8 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | trans | 22.5 | 145 | 144.9 | -85.1 | -7.1 | 0 | 0 | 0 | 122.8 | ||||
| 1652 | E | 22.5 | Very low | 24.9 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | trans | 66.1 | 81.9 | 156.9 | -64.2 | -159.6 | 138.9 | 0 | 0 | 119.9 | ||||
| 1653 | R | 26.8 | Very low | 24.9 | Very low | 250 Ų | 250 | 138.3 Ų | 138.3 | 94% | 0.943 | 69% | 0.691 | S | S | * | * | -157.6 | 134.3 | 111.8 | -114 | 177.5 | -172.6 | -170.9 | 2.5 | 114.9 | |||||
| 1654 | K | 20.2 | Very low | 24.8 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -72.2 | 165 | 151.1 | -69.5 | 173 | 179.7 | 169.4 | 0 | 108.2 | ||||
| 1655 | P | 28.3 | Very low | 25 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | cis | -146 | -166.8 | 23.5 | 44.3 | -24 | 0 | 0 | 0 | 116.9 | ||||
| 1656 | T | 27 | Very low | 25 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | trans | 70.3 | 120.3 | 155.1 | 48.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1657 | R | 25.8 | Very low | 25.1 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | 66.2 | 125.2 | 158.5 | -78.2 | -164 | 162.1 | 168 | -3.3 | 119.5 | ||||
| 1658 | T | 26.7 | Very low | 25.2 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | cis | -166 | 148.7 | -23.9 | -0.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1659 | N | 23.1 | Very low | 25.1 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 37.9 | 116 | 143.9 | -63.5 | 3.3 | 0 | 0 | 0 | 120.2 | ||||
| 1660 | S | 24.5 | Very low | 25.1 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 105.3 | 121.3 | 120.9 | 76.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1661 | K | 26.7 | Very low | 25 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | 54.9 | 114.6 | 121.6 | -60.8 | -168.4 | 168.6 | -165.6 | 0 | 117.9 | |||||
| 1662 | F | 26.6 | Very low | 25.7 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | -145.2 | 112.2 | -10.5 | -82.1 | -69 | 0 | 0 | 0 | 106.6 | ||||
| 1663 | L | 24.7 | Very low | 25.9 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -145.9 | 149.6 | -166.3 | -63.1 | 110.6 | 0 | 0 | 0 | 109.5 | ||||
| 1664 | G | 24.7 | Very low | 25.8 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | -151.5 | 156.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1665 | S | 24.1 | Very low | 26 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | 54.5 | 122.8 | 51.2 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1666 | S | 24.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | cis | -165.8 | 175 | 2 | 52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1667 | G | 24.5 | Very low | 25.6 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -65.1 | -161.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1668 | G | 25.9 | Very low | 25.7 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -133.9 | -163.9 | 18.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1669 | K | 22.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 47% | 0.474 | 77% | 0.771 | S | S | . | * | cis | 47.8 | 115.4 | 48.2 | -61.9 | -153.7 | 174.4 | -146.7 | 0 | 113 | N1920 D1921 | K1669-N1920 VanDerWaalsContact CE-CG 3.49Å; K1669-N1920 WeakPolarHBondContact CE-OD1 3.45Å; K1669-N1920 PolarHBondContact NZ-OD1 2.88Å; K1669-D1921 HydrophobicContact CD-CB 4Å; K1669-D1921 WeakPolarHBondContact CD-OD2 3.46Å; K1669-D1921 WeakPolarHBondContact CE-OD2 3.39Å; K1669-D1921 HydrophobicContact CG-CB 3.88Å; K1669-D1921 IonicContact NZ-OD1 3.93Å; K1669-D1921 PolarHBondContact NZ-OD1 3.05Å; K1669-D1921 IonicContact NZ-OD2 2.79Å; K1669-D1921 PolarHBondContact NZ-OD2 3.31Å | ||
| 1670 | S | 26.1 | Very low | 26.2 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | -178.7 | 154.3 | 76.5 | -153.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1671 | R | 26.1 | Very low | 26.6 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | trans | -69.9 | 163.7 | 161 | -74.2 | 169.6 | 151.7 | 178.8 | -11.9 | 110.4 | S1923 | R1671-S1923 WeakPolarHBondContact CG-OG 3.11Å; R1671-S1923 PolarHBondContact NE-OG 3.25Å | ||
| 1672 | G | 38.3 | Very low | 26.6 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | 113.5 | 106.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1673 | G | 26.9 | Very low | 26.7 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 172 | 112.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1674 | G | 25.6 | Very low | 26.7 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -90.4 | 140 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1675 | R | 23.1 | Very low | 26.9 | Very low | 252 Ų | 252 | 143.9 Ų | 143.9 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -162.6 | 169.4 | 155.1 | -115 | 170.8 | -167.6 | -158 | 3.3 | 112.9 | ||||
| 1676 | R | 23.9 | Very low | 27 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -54.4 | 138.1 | 179.5 | -66.7 | 168.1 | 166.4 | 164.5 | -6.6 | 113.6 | ||||
| 1677 | K | 23.2 | Very low | 27 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 60.8 | 177.4 | 149.7 | -69.7 | -169 | 172.6 | -168.8 | 0 | 116.6 | ||
| 1678 | Q | 29 | Very low | 26.9 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -58.5 | 160.3 | 169.6 | -60 | 140.6 | -44.1 | 0 | 0 | 111.8 | ||
| 1679 | N | 25.1 | Very low | 26.9 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 79.3 | 154 | 169.6 | -57.8 | -34.1 | 0 | 0 | 0 | 117.6 | ||||
| 1680 | C | 35 | Very low | 26.9 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -179.2 | 148.8 | -36.7 | -110.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1681 | R | 32.2 | Very low | 26.8 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 67.5 | 128.1 | 150.3 | -65.7 | 171.5 | 178.9 | 166.4 | -0.9 | 122.5 | ||||
| 1682 | N | 27 | Very low | 26.7 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 80 | 134.4 | 131.5 | -69.1 | 6.6 | 0 | 0 | 0 | 125 | ||||
| 1683 | T | 27.7 | Very low | 25.9 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 81.6 | 125.7 | 146.7 | 49.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1684 | K | 25.5 | Very low | 25.7 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | 75.9 | 121.4 | 140.2 | -72.3 | 175.3 | 178.8 | 175.6 | 0 | 122.3 | ||||
| 1685 | R | 28.6 | Very low | 25.7 | Very low | 243 Ų | 243 | 153 Ų | 153 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | 94.5 | 92.5 | 133.1 | -156.4 | 179.5 | -161.3 | 175 | 4.8 | 121.2 | ||||
| 1686 | A | 26.5 | Very low | 26 | Very low | 89 Ų | 89 | 147.8 Ų | 147.8 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 45.7 | 120.7 | 131.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1687 | K | 23.7 | Very low | 26.1 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 68.1 | 136.4 | 136.8 | -72.7 | -166.2 | 176.3 | -171.7 | 0 | 122.4 | ||||
| 1688 | N | 23.5 | Very low | 26.5 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | trans | 83.5 | 107.7 | 151.1 | -70.9 | 23.8 | 0 | 0 | 0 | 121.6 | ||||
| 1689 | H | 24.5 | Very low | 26.2 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | 77.6 | 121.6 | 127.5 | -72.8 | -53.7 | 0 | 0 | 0 | 123.9 | |||||
| 1690 | N | 23.3 | Very low | 26.3 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 57% | 0.572 | 75% | 0.754 | S | S | * | * | 54.3 | 114.1 | 121.7 | -55.2 | 16.4 | 0 | 0 | 0 | 120.7 | I1692 | N1690-I1692 HydrophobicContact CB-CB 4.48Å; N1690-I1692 HydrophobicContact CB-CD1 3.87Å; N1690-I1692 HydrophobicContact CB-CG1 3.99Å; N1690-I1692 VanDerWaalsContact ND2-CD1 3.3Å; N1690-I1692 WeakPolarHBondContact ND2-CD1 3.28Å | |||
| 1691 | V | 23.8 | Very low | 25.7 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -134.2 | 115.1 | 133.2 | 176.4 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 1692 | I | 23.6 | Very low | 25.2 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 54% | 0.538 | 76% | 0.757 | S | S | . | * | cis | 52.4 | 66.2 | 22 | -49.3 | -171.4 | 0 | 0 | 0 | 111.9 | N1690 T1694 T1695 | N1690-I1692 HydrophobicContact CB-CB 4.48Å; N1690-I1692 HydrophobicContact CB-CD1 3.87Å; N1690-I1692 HydrophobicContact CB-CG1 3.99Å; N1690-I1692 VanDerWaalsContact ND2-CD1 3.3Å; N1690-I1692 WeakPolarHBondContact ND2-CD1 3.28Å; I1692-T1694 PolarHBondContact O-N 3.29Å; I1692-T1695 PolarHBondContact O-N 3.21Å; I1692-T1695 VanDerWaalsContact O-N 3.09Å | ||
| 1693 | G | 22.7 | Very low | 25.2 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 110.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||
| 1694 | T | 22.3 | Very low | 25 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -129.7 | 105.5 | 19.9 | 44.9 | 0 | 0 | 0 | 0 | 115.4 | I1692 | I1692-T1694 PolarHBondContact O-N 3.29Š|
| 1695 | T | 26 | Very low | 25 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | 56.4 | 131.6 | 121 | 57.3 | 0 | 0 | 0 | 0 | 122.8 | I1692 | I1692-T1695 PolarHBondContact O-N 3.21Å; I1692-T1695 VanDerWaalsContact O-N 3.09Å | |||
| 1696 | T | 28.4 | Very low | 24.9 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | 87.4 | 168.6 | 139.6 | 49.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1697 | K | 26.3 | Very low | 25.3 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 89% | 0.891 | 73% | 0.734 | S | S | * | * | trans | -109.3 | 172.8 | -157.9 | -56.8 | 170.5 | 179.1 | 172.5 | 0 | 112.2 | ||||
| 1698 | V | 32.4 | Very low | 25.6 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -112.5 | 130.4 | 171.2 | 176.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1699 | K | 22.6 | Very low | 25.8 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | trans | -163.6 | 145.3 | 148.1 | -151.4 | -176.7 | -176.3 | -172.4 | 0 | 110.6 | ||||
| 1700 | S | 26.8 | Very low | 26 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | 56.4 | 100.6 | 156 | 50.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1701 | T | 23 | Very low | 26.1 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | 48.9 | 132.3 | 117.6 | 54.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1702 | E | 21.8 | Very low | 26.4 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | 83.3 | 133.4 | 145.2 | -73.6 | 176.5 | -165.1 | 0 | 0 | 121.6 | ||||
| 1703 | N | 26 | Very low | 26.5 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 66 | 121.9 | -178.7 | -55.3 | -56.4 | 0 | 0 | 0 | 115.1 | ||||
| 1704 | V | 24.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | cis | 67.3 | 128.6 | 44.1 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1705 | P | 26 | Very low | 26.6 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -77.8 | 166.8 | 9.2 | 37.3 | -39.1 | 0 | 0 | 0 | 113.2 | ||||
| 1706 | N | 25.1 | Very low | 26.5 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 57 | 147 | 54 | -21.4 | -35.1 | 0 | 0 | 0 | 111.6 | |||||
| 1707 | T | 34.4 | Very low | 26.2 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -121 | 145.4 | 4.7 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1708 | C | 30.4 | Very low | 25.9 | Very low | 82 Ų | 82 | 137.9 Ų | 137.9 | 55% | 0.554 | 74% | 0.739 | S | S | * | * | 64.9 | 137.7 | 53.9 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1709 | E | 28.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | cis | -166.9 | 150 | 0.5 | -117.6 | 163.8 | -148.9 | 0 | 0 | 111.3 | ||||
| 1710 | L | 27.6 | Very low | 25.5 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | trans | 63.2 | 158.4 | 139.8 | -67.8 | 165.4 | 0 | 0 | 0 | 119.6 | ||||
| 1711 | N | 25.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | cis | -149.1 | 155.8 | 14.3 | -145.3 | -43 | 0 | 0 | 0 | 114.1 | ||||
| 1712 | K | 29.5 | Very low | 25.3 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | trans | 75.2 | 132.3 | 168.5 | -50.1 | 162.2 | -175 | 172.2 | 0 | 116.7 | ||||
| 1713 | K | 27.1 | Very low | 25.5 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | cis | -156.1 | 123.6 | -17 | -103.8 | -172.8 | 179.5 | -174.1 | 0 | 105.8 | ||||
| 1714 | M | 26 | Very low | 25.3 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | 73.1 | 118 | 91.7 | -154.8 | 80.7 | 89.5 | 0 | 0 | 112.8 | |||||
| 1715 | S | 21.7 | Very low | 25.2 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -161 | 166.7 | 3.5 | 40.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1716 | T | 22.2 | Very low | 25 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -151 | -176 | -173.3 | 41.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1717 | I | 22 | Very low | 24.8 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | trans | 112.2 | 155.6 | 157.3 | -61 | 175.4 | 0 | 0 | 0 | 117.5 | ||||
| 1718 | E | 21.9 | Very low | 24.2 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -124.1 | -175.2 | -154.7 | -40.5 | 143.7 | 114.2 | 0 | 0 | 113.7 | ||||
| 1719 | L | 22.7 | Very low | 24.1 | Very low | 142 Ų | 142 | 149 Ų | 149 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 129 | 131.3 | 137.8 | -65.3 | -174.9 | 0 | 0 | 0 | 118.6 | ||||
| 1720 | N | 23.1 | Very low | 24.2 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 22 | 135.6 | 151 | -66.4 | -8.6 | 0 | 0 | 0 | 122.2 | ||||
| 1721 | E | 23.1 | Very low | 23.9 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | -166.4 | -167.9 | 99.3 | -113.5 | -125.5 | -150.4 | 0 | 0 | 115.1 | |||||
| 1722 | N | 22 | Very low | 23.8 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | trans | -78.6 | 175.7 | -169.1 | -66.3 | -82.8 | 0 | 0 | 0 | 115.3 | ||||
| 1723 | N | 25.5 | Very low | 23.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 83 | 160 | 161 | -64.7 | -65.8 | 0 | 0 | 0 | 118.4 | ||||
| 1724 | K | 22 | Very low | 23.3 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 2.1 | 132.3 | 164.3 | -62.5 | 178.4 | 178.7 | 179.8 | 0 | 117.8 | ||||
| 1725 | K | 22 | Very low | 23.3 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | S | Bend | 13.3 | 115.3 | 119 | -84.4 | -162.9 | 165.2 | -149.1 | 0 | 115.9 | |||
| 1726 | D | 21.9 | Very low | 23.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | 72.6 | 76.5 | 132.5 | -42.2 | -28.3 | 0 | 0 | 0 | 117.5 | ||||
| 1727 | S | 21.6 | Very low | 23.5 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | 73 | 176.2 | 150 | 88.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1728 | S | 22.6 | Very low | 23.4 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | cis | -156.4 | 161.8 | -3.8 | 14.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1729 | Y | 28.4 | Very low | 23.5 | Very low | 208 Ų | 208 | 132.6 Ų | 132.6 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | 25.5 | 135.9 | 147.5 | -72.2 | -108.8 | 0 | 0 | 0 | 122.1 | ||||
| 1730 | Y | 29.7 | Very low | 23.5 | Very low | 219 Ų | 219 | 131 Ų | 131 | 86% | 0.859 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -132.9 | 153.6 | 130.6 | -82.3 | -66.5 | 0 | 0 | 0 | 109 | V1732 | Y1730-V1732 HydrophobicContact CE1-CG2 4.44Š|
| 1731 | S | 22 | Very low | 23.6 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | S | Bend | cis | -86.4 | 156.3 | 3.9 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | S1733 | S1731-S1733 PolarHBondContact O-N 2.94Å; S1731-S1733 VanDerWaalsContact O-N 3.11Å |
| 1732 | V | 23.7 | Very low | 24.4 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -58.5 | 111.6 | 157.2 | 172 | 0 | 0 | 0 | 0 | 108.6 | Y1730 | Y1730-V1732 HydrophobicContact CE1-CG2 4.44Š| ||
| 1733 | S | 23.4 | Very low | 24.4 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | -180 | 145 | 108 | 34 | 0 | 0 | 0 | 0 | 111 | S1731 | S1731-S1733 PolarHBondContact O-N 2.94Å; S1731-S1733 VanDerWaalsContact O-N 3.11Å | |||
| 1734 | N | 23 | Very low | 24.4 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | 55.4 | 113.1 | 150 | -60.2 | 25.9 | 0 | 0 | 0 | 117.2 | ||||
| 1735 | S | 24.2 | Very low | 24.7 | Very low | 54 Ų | 54 | 133.5 Ų | 133.5 | 38% | 0.378 | 70% | 0.702 | S | S | . | * | 58.6 | 117.8 | 55.3 | 95.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1736 | H | 23.1 | Very low | 25 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | S | Bend | -172.5 | 134.2 | 120.6 | -83.6 | -44.8 | 0 | 0 | 0 | 107.7 | S1738 | H1736-S1738 PolarHBondContact ND1-OG 3.36Š| |
| 1737 | T | 25 | Very low | 25.3 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -116 | 118.9 | -4.3 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1738 | S | 19.8 | Very low | 25.8 | Very low | 59 Ų | 59 | 134.6 Ų | 134.6 | 41% | 0.413 | 70% | 0.703 | S | S | . | * | cis | 65.9 | 157.6 | 29.7 | 102.6 | 0 | 0 | 0 | 0 | 113 | H1736 | H1736-S1738 PolarHBondContact ND1-OG 3.36Š| ||
| 1739 | T | 25.3 | Very low | 25.9 | Very low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.613 | 71% | 0.707 | S | S | * | * | cis | -142.9 | 150.9 | 21.7 | -26 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1740 | D | 22.4 | Very low | 25.6 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | trans | -33.9 | 137.1 | 155.4 | -48 | -97.7 | 0 | 0 | 0 | 115 | ||||
| 1741 | Q | 25 | Very low | 26.4 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 67 | 139.5 | 143.4 | -60.1 | 172.5 | 21.8 | 0 | 0 | 118.8 | ||
| 1742 | I | 38.7 | Very low | 26.5 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | trans | -79.7 | 128 | -160.4 | -62 | 162.9 | 0 | 0 | 0 | 113 | ||||
| 1743 | N | 23.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -178.1 | 140.3 | 134 | -110.8 | -80 | 0 | 0 | 0 | 115.3 | ||||
| 1744 | K | 25.1 | Very low | 27 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | 60.3 | 123.3 | 164.5 | -58.6 | -179.8 | -179.4 | -179.7 | 0 | 117.2 | ||||
| 1745 | E | 28.2 | Very low | 27.2 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | -154.4 | 158.6 | 52.6 | -90.7 | -155.9 | 100.9 | 0 | 0 | 114.5 | |||||
| 1746 | Q | 29.4 | Very low | 27.5 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | trans | 45.7 | 96.7 | 151.9 | -60.2 | -177.6 | 50 | 0 | 0 | 118.2 | ||||
| 1747 | N | 27.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | 95.2 | 124.2 | 89.1 | -75.6 | -22.8 | 0 | 0 | 0 | 112.4 | |||||
| 1748 | N | 32.7 | Very low | 28.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 136.5 | -154.8 | -45 | -63.8 | 0 | 0 | 0 | 111.3 | ||||
| 1749 | V | 23.8 | Very low | 30 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -122.8 | 172.4 | -7 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | I1751 | V1749-I1751 PolarHBondContact O-N 3.14Š| ||
| 1750 | S | 22.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -67.8 | 110.1 | 174.5 | 46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1751 | I | 45.5 | Very low | 31.4 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | -154.4 | 144.4 | 178.1 | -94.9 | 130.6 | 0 | 0 | 0 | 109.6 | V1749 | V1749-I1751 PolarHBondContact O-N 3.14Š| ||
| 1752 | S | 24.8 | Very low | 31.9 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 52% | 0.517 | 72% | 0.717 | S | S | . | * | trans | -78.5 | 160.5 | -171.8 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1753 | S | 31.1 | Very low | 31.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | cis | 88.1 | 154.8 | 13.6 | 89.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1754 | D | 27.1 | Very low | 32.1 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -69.6 | 148.8 | 177 | -68.5 | -68.8 | 0 | 0 | 0 | 113 | D1756 | D1754-D1756 PolarHBondContact O-N 3.3Š|
| 1755 | N | 26.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 49.4 | 43.8 | 163 | -150.8 | 97.6 | 0 | 0 | 0 | 117.1 | ||
| 1756 | D | 31.3 | Very low | 33.6 | Very low | 110 Ų | 110 | 135 Ų | 135 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | -148.6 | 134.5 | 123.3 | -89.6 | -42.2 | 0 | 0 | 0 | 106.1 | D1754 | D1754-D1756 PolarHBondContact O-N 3.3Š| |||
| 1757 | N | 34.3 | Very low | 33.7 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | 65 | 136.7 | 58.7 | -157.6 | 22.1 | 0 | 0 | 0 | 111.1 | |||||
| 1758 | I | 40.4 | Very low | 34 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 59% | 0.585 | 71% | 0.707 | S | S | * | * | trans | 64.9 | 100.3 | 175.3 | -68.6 | 168.8 | 0 | 0 | 0 | 112.3 | ||||
| 1759 | Y | 44.8 | Very low | 33.7 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | 75.6 | 156.2 | 88.7 | -80.4 | -143.9 | 0 | 0 | 0 | 110.9 | |||||
| 1760 | D | 31 | Very low | 33.8 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 49% | 0.492 | 71% | 0.707 | S | S | . | * | cis | -153.2 | -175.7 | 49.1 | -89.6 | -56.1 | 0 | 0 | 0 | 112.6 | E1762 H1764 | D1760-E1762 HydrophobicContact CB-CB 3.73Å; D1760-E1762 HydrophobicContact CB-CG 3.67Å; D1760-H1764 IonicContact OD2-CE1 2.9Å; D1760-H1764 PolarHBondContact OD2-CE1 2.72Å; D1760-H1764 IonicContact OD2-ND1 3.48Å | ||
| 1761 | D | 47.2 | Very low | 33.8 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -70.5 | -97.8 | 161.8 | -82.8 | -74.9 | 0 | 0 | 0 | 110.3 | ||||
| 1762 | E | 35.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 42% | 0.416 | 70% | 0.698 | S | S | . | * | trans | 54.6 | 107.5 | 140.5 | -58.8 | -53.5 | 92.7 | 0 | 0 | 119.9 | D1760 H1764 R1765 | D1760-E1762 HydrophobicContact CB-CB 3.73Å; D1760-E1762 HydrophobicContact CB-CG 3.67Å; E1762-H1764 VanDerWaalsContact C-N 3.29Å; E1762-H1764 HydrophobicContact CB-CB 3.98Å; E1762-H1764 VanDerWaalsContact CB-CG 3.47Å; E1762-H1764 VanDerWaalsContact CB-ND1 3.35Å; E1762-H1764 WeakPolarHBondContact CB-ND1 3.33Å; E1762-H1764 WeakPolarHBondContact OE2-CA 3.45Å; E1762-H1764 PolarHBondContact OE2-N 2.9Å; E1762-R1765 PolarHBondContact OE2-N 3.12Å | ||
| 1763 | D | 29.1 | Very low | 32.7 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | S | Bend | -66.5 | 73.5 | 80.6 | -125.8 | -17.7 | 0 | 0 | 0 | 113.5 | |||
| 1764 | H | 35.9 | Very low | 32.2 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 44% | 0.44 | 70% | 0.704 | S | S | . | * | 70.8 | 90.9 | 79.6 | -86.1 | -43.8 | 0 | 0 | 0 | 111.6 | D1760 E1762 | D1760-H1764 IonicContact OD2-CE1 2.9Å; D1760-H1764 PolarHBondContact OD2-CE1 2.72Å; D1760-H1764 IonicContact OD2-ND1 3.48Å; E1762-H1764 VanDerWaalsContact C-N 3.29Å; E1762-H1764 HydrophobicContact CB-CB 3.98Å; E1762-H1764 VanDerWaalsContact CB-CG 3.47Å; E1762-H1764 VanDerWaalsContact CB-ND1 3.35Å; E1762-H1764 WeakPolarHBondContact CB-ND1 3.33Å; E1762-H1764 WeakPolarHBondContact OE2-CA 3.45Å; E1762-H1764 PolarHBondContact OE2-N 2.9Å | |||
| 1765 | R | 43.1 | Very low | 32 | Very low | 205 Ų | 205 | 136.1 Ų | 136.1 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | trans | -152.2 | 104.3 | 133.4 | -86.3 | 112.9 | -153.2 | -111.2 | 2.5 | 113.4 | E1762 | E1762-R1765 PolarHBondContact OE2-N 3.12Š| ||
| 1766 | N | 42.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | 76.8 | 148.4 | 134.8 | -51.6 | -16.7 | 0 | 0 | 0 | 116.8 | ||||
| 1767 | S | 31.6 | Very low | 31.2 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | cis | 177.5 | 154.6 | -3.5 | 162.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1768 | I | 33.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 136 Ų | 136 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 81.9 | 119.4 | 159 | -74.6 | 155 | 0 | 0 | 0 | 120.9 | ||||
| 1769 | D | 26.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 70% | 0.704 | S | S | * | * | trans | 50.7 | 163.9 | 147.1 | -59 | 15 | 0 | 0 | 0 | 123.3 | ||||
| 1770 | A | 26.2 | Very low | 28.6 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | cis | -175.5 | 170.7 | -37.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1771 | E | 21.7 | Very low | 28.2 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | cis | -162.6 | 166.5 | -12.3 | -146.7 | -159.8 | 138.5 | 0 | 0 | 111.4 | ||||
| 1772 | T | 24 | Very low | 27.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 61% | 0.607 | 70% | 0.701 | S | S | * | * | trans | 67.7 | 126.2 | 157.4 | 50.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1773 | K | 23 | Very low | 26.6 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | trans | 68.2 | 162.6 | 132.5 | -71.4 | -172 | 175.8 | -174.5 | 0 | 122.1 | ||||
| 1774 | E | 21 | Very low | 26.3 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | cis | -167.3 | 147.5 | -33.3 | -114.4 | -178.8 | -122.9 | 0 | 0 | 110.7 | ||||
| 1775 | N | 21.7 | Very low | 25.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | 58.8 | 135.1 | 143.2 | -70.6 | -38.9 | 0 | 0 | 0 | 126.6 | ||||
| 1776 | H | 22.2 | Very low | 24.6 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 64.1 | 122.4 | 140.7 | -80.1 | -71.1 | 0 | 0 | 0 | 125.7 | ||||
| 1777 | D | 20.7 | Very low | 23.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | trans | 38.8 | 114.4 | 131.7 | -63.2 | -46.3 | 0 | 0 | 0 | 123.8 | ||||
| 1778 | S | 20.8 | Very low | 23.3 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 81.6 | 131.3 | 130.1 | 74.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1779 | S | 21.2 | Very low | 22.9 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 82.8 | 128.4 | 149.2 | 69.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1780 | N | 22.5 | Very low | 22.9 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | 71.5 | 108.6 | 147.7 | -71.2 | 58.8 | 0 | 0 | 0 | 122.9 | ||||
| 1781 | D | 22.5 | Very low | 23 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | 77.4 | 111.8 | 115.4 | -60.5 | -5.8 | 0 | 0 | 0 | 123.3 | |||||
| 1782 | N | 24.4 | Very low | 23.3 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | 72.8 | 96 | 127.5 | -61.4 | -35.8 | 0 | 0 | 0 | 121.7 | |||||
| 1783 | L | 24 | Very low | 23.4 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 72% | 0.718 | S | S | * | * | trans | -153.2 | 115 | 132.1 | -130.6 | 67.5 | 0 | 0 | 0 | 105.8 | ||||
| 1784 | V | 22.3 | Very low | 23.7 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | 69.7 | 96.6 | 61.7 | -177.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1785 | V | 22.4 | Very low | 23.8 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 43.7 | 124.1 | 139.9 | -172.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1786 | V | 22.4 | Very low | 24.1 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | -172.5 | 113.2 | 119.5 | 146.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1787 | N | 21.6 | Very low | 24.3 | Very low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | trans | 52.4 | 164.9 | 137.4 | -50.4 | 5.9 | 0 | 0 | 0 | 126.1 | ||||
| 1788 | E | 24 | Very low | 24.5 | Very low | 144 Ų | 144 | 128 Ų | 128 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | trans | 73.5 | 117.5 | 146.2 | -72.3 | 139.1 | -128.1 | 0 | 0 | 118.6 | ||||
| 1789 | D | 25.6 | Very low | 24.7 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | cis | -172.1 | 161.4 | 8.7 | -99.9 | -16 | 0 | 0 | 0 | 112.5 | ||||
| 1790 | D | 26.8 | Very low | 24.7 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | 56.5 | 140.2 | 148.2 | -58.1 | -10.1 | 0 | 0 | 0 | 124 | ||||
| 1791 | G | 28 | Very low | 24.6 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | 171.5 | -15.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1792 | D | 27.6 | Very low | 24.6 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 56.2 | 153.4 | 160.2 | -61.4 | -15.1 | 0 | 0 | 0 | 124.2 | ||||
| 1793 | D | 27.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 75.1 | 96.3 | 154.7 | -66.6 | -3.8 | 0 | 0 | 0 | 123.3 | ||||
| 1794 | D | 28 | Very low | 24.5 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | 93.9 | 108 | 115.6 | -91.4 | 2.5 | 0 | 0 | 0 | 124.1 | |||||
| 1795 | L | 25 | Very low | 24.6 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | 82.8 | 127.7 | 122.5 | -75.2 | 171.3 | 0 | 0 | 0 | 123.5 | |||||
| 1796 | L | 26.2 | Very low | 24.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 88.1 | 137.1 | 145.4 | -67.5 | 161.7 | 0 | 0 | 0 | 121.7 | ||||
| 1797 | S | 26.5 | Very low | 24.5 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 61.6 | 74.9 | 159.4 | 45.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1798 | E | 25.2 | Very low | 24.6 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 42.8 | 105.4 | 125.9 | -55.9 | -150.2 | 98.2 | 0 | 0 | 122.1 | |||||
| 1799 | K | 25 | Very low | 24.5 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 61.2 | 97.1 | 122.6 | -61.7 | 165.8 | -174.3 | 159 | 0 | 119.8 | |||||
| 1800 | P | 21.1 | Very low | 24.2 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -81.1 | 166.3 | 141.4 | 35 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 1801 | T | 21.7 | Very low | 24 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -53.9 | 129.9 | -178.8 | -44.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1802 | I | 22.5 | Very low | 23.7 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -177.9 | 135.9 | 162.3 | -105.4 | 149.7 | 0 | 0 | 0 | 107 | ||||
| 1803 | L | 23.8 | Very low | 23.4 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | cis | -141.5 | 150 | 7 | -101.9 | 158.5 | 0 | 0 | 0 | 112.8 | ||||
| 1804 | K | 22.3 | Very low | 23.2 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -19.8 | 137.6 | 144 | -60.1 | 166.4 | 175.7 | 174.5 | 0 | 117.4 | ||||
| 1805 | L | 24.1 | Very low | 23.1 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 94% | 0.937 | 73% | 0.733 | S | S | * | * | -155.1 | 163.1 | 120.4 | -108.7 | 172.9 | 0 | 0 | 0 | 110.1 | |||||
| 1806 | H | 21.7 | Very low | 23 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 83% | 0.833 | 72% | 0.721 | S | S | * | * | trans | -120.6 | 136 | -162 | -136.8 | -96.2 | 0 | 0 | 0 | 113.3 | ||||
| 1807 | A | 21.6 | Very low | 23 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | 27.2 | 126.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1808 | T | 22.9 | Very low | 23 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -154.6 | 128.8 | 134.6 | 25.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1809 | S | 21 | Very low | 23 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | 8.4 | 120.6 | 150.7 | 59.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1810 | A | 21.1 | Very low | 23.2 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 72% | 0.716 | S | S | * | * | 47.1 | 139.6 | 121.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1811 | S | 20.6 | Very low | 23.3 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | trans | 69.1 | 122.3 | 157.3 | -156.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1812 | M | 22.1 | Very low | 23.5 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 58% | 0.576 | 71% | 0.714 | S | S | * | * | -170.1 | 175.5 | 64 | -149 | 149.9 | 55.9 | 0 | 0 | 112.2 | N1938 | M1812-N1938 HydrophobicContact CE-CB 3.97Å; M1812-N1938 HydrophobicContact CG-CB 3.75Å; M1812-N1938 HydrophobicContact SD-CB 3.35Å; M1812-N1938 WeakPolarHBondContact SD-CB 3.36Å | |||
| 1813 | V | 22.4 | Very low | 23.5 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 42% | 0.418 | 71% | 0.706 | S | S | . | * | trans | -104.1 | 138.3 | 173.8 | 157.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1814 | H | 22.7 | Very low | 23.6 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 51% | 0.509 | 70% | 0.697 | S | S | . | * | trans | -140.8 | 121.7 | 140.9 | -107 | 35.9 | 0 | 0 | 0 | 110 | N1938 | H1814-N1938 PolarHBondContact CE1-ND2 3.19Å; H1814-N1938 PolarHBondContact CE1-OD1 2.96Å; H1814-N1938 VanDerWaalsContact CE1-OD1 3.23Å; H1814-N1938 PolarHBondContact ND1-ND2 3.19Å; H1814-N1938 PolarHBondContact ND1-OD1 2.86Å | ||
| 1815 | N | 25.1 | Very low | 23.9 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | trans | -103 | 135.8 | 164.8 | -98.7 | -8.2 | 0 | 0 | 0 | 107.3 | ||||
| 1816 | N | 24.4 | Very low | 24.2 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 44% | 0.444 | 68% | 0.68 | S | S | . | * | -164.5 | 162.4 | 117.6 | -106.6 | -21.3 | 0 | 0 | 0 | 113 | Y1838 D1839 | N1816-Y1838 WeakPolarHBondContact CB-O 3.22Å; N1816-D1839 PolarHBondContact ND2-OD1 2.9Å; N1816-D1839 VanDerWaalsContact ND2-OD1 3.17Å | |||
| 1817 | K | 24.5 | Very low | 24.9 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | -81.6 | 158.2 | -174 | -50.6 | 164.2 | -178.1 | 173.4 | 0 | 110.4 | ||||
| 1818 | H | 27 | Very low | 25.4 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | -169.4 | 136.9 | 108.4 | -107.3 | -72 | 0 | 0 | 0 | 115.4 | |||||
| 1819 | H | 25.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | trans | 46.3 | 143.9 | 145.7 | -83.4 | -33.1 | 0 | 0 | 0 | 125.4 | ||||
| 1820 | R | 29.8 | Very low | 25.8 | Very low | 215 Ų | 215 | 124.9 Ų | 124.9 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | 69.9 | 101.4 | 152.4 | -75.2 | 175.4 | 179.8 | 171.7 | 0.5 | 114.3 | ||||
| 1821 | H | 23.6 | Very low | 26 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | cis | 47.4 | 133.9 | 49.7 | -57.1 | -68.8 | 0 | 0 | 0 | 112.4 | ||||
| 1822 | Q | 24.6 | Very low | 26.1 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | cis | -154.4 | 132.1 | 32.7 | -143.2 | 160.3 | 9.1 | 0 | 0 | 113.7 | ||||
| 1823 | S | 23.3 | Very low | 26.1 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | trans | 46.1 | 126 | 142.3 | 63.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1824 | S | 25.9 | Very low | 26.1 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | trans | 74.1 | 159 | 141.8 | 81.8 | 0 | 0 | 0 | 0 | 117.5 | S1828 | S1824-S1828 WeakPolarHBondContact CA-OG 3.4Š| ||
| 1825 | A | 29.1 | Very low | 26 | Very low | 61 Ų | 61 | 130.3 Ų | 130.3 | 50% | 0.504 | 71% | 0.705 | S | S | . | * | S | Bend | cis | -142.6 | 171 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1827 | A1825-K1827 HydrophobicContact CB-CG 4.18Š|
| 1826 | Q | 29.6 | Very low | 25.9 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | S | Bend | cis | -130.7 | 88 | 13.3 | -67.9 | 178.7 | -8.3 | 0 | 0 | 112 | ||
| 1827 | K | 37.3 | Very low | 26.5 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -114.2 | 44.5 | -15.1 | -72.6 | -172.7 | 175.9 | -179.6 | 0 | 112.6 | A1825 | A1825-K1827 HydrophobicContact CB-CG 4.18Š|
| 1828 | S | 31.5 | Very low | 26.4 | Very low | 51 Ų | 51 | 130.6 Ų | 130.6 | 36% | 0.357 | 70% | 0.703 | S | S | . | * | trans | 63.1 | 88.1 | 142.9 | 63.5 | 0 | 0 | 0 | 0 | 119.8 | S1824 | S1824-S1828 WeakPolarHBondContact CA-OG 3.4Š| ||
| 1829 | T | 26.8 | Very low | 26.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | 59.5 | 119.7 | 111.9 | 57.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1830 | T | 25.3 | Very low | 26.1 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | 77.8 | 113.4 | 124.1 | 62.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1831 | T | 24.6 | Very low | 25.6 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | 62.3 | 121 | 124.8 | 66.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1832 | A | 23.4 | Very low | 25.4 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | 85.4 | 151.4 | 122.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1833 | L | 21.9 | Very low | 25.2 | Very low | 161 Ų | 161 | 119 Ų | 119 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | 71 | 104.9 | 152.3 | -73.6 | 160.8 | 0 | 0 | 0 | 122.2 | ||||
| 1834 | S | 21.9 | Very low | 25 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | 80 | 140.9 | 127.5 | 72.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 1835 | S | 22.1 | Very low | 24.9 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | trans | 79.6 | 148.3 | 159.7 | 71.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1836 | L | 21.5 | Very low | 24.8 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 70% | 0.702 | 66% | 0.658 | S | S | * | * | trans | -125.1 | -178.8 | -178.8 | -75.8 | 163.8 | 0 | 0 | 0 | 107.7 | ||||
| 1837 | P | 38.1 | Very low | 24.5 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 36% | 0.357 | 65% | 0.653 | S | S | . | * | -130.6 | 179.7 | -52.5 | 38.5 | -23.3 | 0 | 0 | 0 | 111.7 | |||||
| 1838 | Y | 23.2 | Very low | 23.8 | Very low | 204 Ų | 204 | 111.7 Ų | 111.7 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | -165.3 | -170.2 | 152.1 | -92.7 | -41.4 | 0 | 0 | 0 | 111.7 | N1816 | N1816-Y1838 WeakPolarHBondContact CB-O 3.22Š| ||
| 1839 | D | 21.4 | Very low | 23.3 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 54% | 0.535 | 66% | 0.659 | S | S | . | * | -162.3 | -171.4 | -113.9 | -141.8 | -38.5 | 0 | 0 | 0 | 112.1 | N1816 | N1816-D1839 PolarHBondContact ND2-OD1 2.9Å; N1816-D1839 VanDerWaalsContact ND2-OD1 3.17Å | |||
| 1840 | H | 22.5 | Very low | 23.6 | Very low | 148 Ų | 148 | 115.5 Ų | 115.5 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | trans | 70.4 | 127.9 | 179.2 | -82.1 | -93.3 | 0 | 0 | 0 | 115.3 | ||||
| 1841 | F | 19.6 | Very low | 23.4 | Very low | 175 Ų | 175 | 115.5 Ų | 115.5 | 77% | 0.768 | 66% | 0.657 | S | S | * | * | 104.5 | 106.9 | 53.1 | -109.2 | -88.9 | 0 | 0 | 0 | 112.7 | |||||
| 1842 | S | 20.1 | Very low | 23.4 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | trans | 63.2 | 134.8 | 137.9 | -67.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1843 | L | 19.9 | Very low | 23.4 | Very low | 106 Ų | 106 | 118 Ų | 118 | 56% | 0.555 | 65% | 0.648 | S | S | * | * | trans | 72.2 | 120.7 | 144.3 | -61.6 | 157 | 0 | 0 | 0 | 118.6 | E1621 N1624 | E1621-L1843 PolarHBondContact OE1-N 3.38Å; N1624-L1843 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 1844 | S | 20.4 | Very low | 23.5 | Very low | 48 Ų | 48 | 117.2 Ų | 117.2 | 34% | 0.336 | 64% | 0.64 | S | S | . | * | 156.8 | 131.1 | 112.3 | -68.5 | 0 | 0 | 0 | 0 | 116.5 | N1624 H1626 G1846 | N1624-S1844 PolarHBondContact ND2-OG 3.27Å; H1626-S1844 PolarHBondContact CD2-OG 3.37Å; S1844-G1846 PolarHBondContact O-N 2.93Å | |||
| 1845 | N | 23.3 | Very low | 23.7 | Very low | 65 Ų | 65 | 118.5 Ų | 118.5 | 35% | 0.348 | 64% | 0.644 | S | S | . | * | trans | -55.7 | 121.1 | 156.1 | -83.2 | -12.1 | 0 | 0 | 0 | 111.7 | S1622 L1623 N1624 | S1622-N1845 WeakPolarHBondContact CB-OD1 3.4Å; L1623-N1845 VanDerWaalsContact CD2-ND2 3.32Å; L1623-N1845 WeakPolarHBondContact CD2-ND2 3.48Å; N1624-N1845 HydrophobicContact CB-CB 4.05Å; N1624-N1845 PolarHBondContact N-ND2 3.16Å; N1624-N1845 VanDerWaalsContact N-ND2 3.16Å; N1624-N1845 PolarHBondContact O-ND2 3.28Å | ||
| 1846 | G | 26.4 | Very low | 23.8 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | 67.2 | 141.7 | 101.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | S1844 | S1844-G1846 PolarHBondContact O-N 2.93Š| |||
| 1847 | N | 24.5 | Very low | 23.8 | Very low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | -153.9 | 152.5 | 103.5 | -145.5 | 11.5 | 0 | 0 | 0 | 113.9 | |||||
| 1848 | L | 21.7 | Very low | 23.1 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | trans | 53.1 | 128.8 | 145.2 | -116.1 | 61.8 | 0 | 0 | 0 | 123.3 | S1850 | L1848-S1850 PolarHBondContact O-N 2.83Š| ||
| 1849 | E | 21.7 | Very low | 22.9 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | trans | 38.6 | 76.5 | 132.9 | -80.4 | 80.8 | 125.6 | 0 | 0 | 119 | L1851 | E1849-L1851 HydrophobicContact CB-CD1 3.81Å; E1849-L1851 HydrophobicContact CG-CD1 3.6Å; E1849-L1851 HydrophobicContact CG-CG 4.14Å | ||
| 1850 | S | 32 | Very low | 23 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | -126.4 | 89.1 | 105.7 | 63.2 | 0 | 0 | 0 | 0 | 107.7 | L1848 | L1848-S1850 PolarHBondContact O-N 2.83Š| |||
| 1851 | L | 22.5 | Very low | 22.9 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | 41.7 | 98.7 | 95 | -74.3 | 135.2 | 0 | 0 | 0 | 110.4 | E1849 | E1849-L1851 HydrophobicContact CB-CD1 3.81Å; E1849-L1851 HydrophobicContact CG-CD1 3.6Å; E1849-L1851 HydrophobicContact CG-CG 4.14Å | |||
| 1852 | L | 22.7 | Very low | 23 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | 71.4 | 149.7 | 81.6 | -85.3 | 164.5 | 0 | 0 | 0 | 112.7 | |||||
| 1853 | Q | 24 | Very low | 23.1 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | trans | 69 | 160.8 | 159.3 | -76.2 | 153.1 | -90.6 | 0 | 0 | 115.8 | ||||
| 1854 | E | 24.2 | Very low | 23.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | cis | -121.9 | 116.4 | 7.2 | -146.6 | 109.7 | -115.6 | 0 | 0 | 112.3 | K1856 | E1854-K1856 PolarHBondContact O-N 3.42Å; E1854-K1856 VanDerWaalsContact O-N 3.15Å | ||
| 1855 | T | 26.5 | Very low | 23.4 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -56.4 | 112.2 | 151.2 | 41.1 | 0 | 0 | 0 | 0 | 107.8 | V1857 | T1855-V1857 PolarHBondContact O-N 3.29Š| ||
| 1856 | K | 22.8 | Very low | 23.4 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -76.2 | 103.2 | -179.3 | -145.6 | -176.5 | -175.5 | -177.5 | 0 | 110.1 | E1854 | E1854-K1856 PolarHBondContact O-N 3.42Å; E1854-K1856 VanDerWaalsContact O-N 3.15Å | ||
| 1857 | V | 22.9 | Very low | 23.3 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | 53.5 | 117.3 | 133.8 | 177.4 | 0 | 0 | 0 | 0 | 114.7 | T1855 | T1855-V1857 PolarHBondContact O-N 3.29Š| ||
| 1858 | I | 22.9 | Very low | 23.2 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | -134.5 | 138.1 | 58.9 | -72.6 | 172.8 | 0 | 0 | 0 | 112.7 | |||||
| 1859 | E | 19.8 | Very low | 23.3 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | trans | -71 | 133.9 | 160.7 | -54.7 | 165.1 | 107.1 | 0 | 0 | 110.2 | ||||
| 1860 | L | 23.3 | Very low | 23.4 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -134.3 | 113.3 | 141.6 | -84.5 | -174.2 | 0 | 0 | 0 | 110.6 | ||||
| 1861 | N | 20.8 | Very low | 23.1 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -45.4 | 149.9 | 146.4 | -61 | -64.3 | 0 | 0 | 0 | 109.1 | ||||
| 1862 | S | 21.6 | Very low | 23.2 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | cis | -173.6 | 167.6 | 25.5 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1863 | N | 21.8 | Very low | 23.3 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | trans | 68.8 | 157.1 | 135.7 | -85 | 33.8 | 0 | 0 | 0 | 122.1 | ||||
| 1864 | D | 22.8 | Very low | 23.5 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | 57.3 | 110 | 143.4 | -58.1 | -31.3 | 0 | 0 | 0 | 120.9 | ||||
| 1865 | A | 23 | Very low | 23.6 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | 64.3 | 134.7 | 125 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1866 | N | 23.3 | Very low | 23.5 | Very low | 162 Ų | 162 | 122.7 Ų | 122.7 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | trans | -47.5 | 131.5 | 148.1 | -62.1 | -34.3 | 0 | 0 | 0 | 109 | ||||
| 1867 | P | 25 | Very low | 23.6 | Very low | 108 Ų | 108 | 121 Ų | 121 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | -146 | 146.8 | 87.6 | 36.7 | -20 | 0 | 0 | 0 | 116.7 | |||||
| 1868 | S | 21.8 | Very low | 23.6 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | -1.1 | 146.5 | 126.1 | 61.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1869 | N | 23.4 | Very low | 23.6 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 60% | 0.599 | 68% | 0.675 | S | S | * | * | cis | -178.7 | 167.4 | 15.5 | -120.9 | 23.7 | 0 | 0 | 0 | 112.3 | V2376 | N1869-V2376 WeakPolarHBondContact ND2-CG1 3.48Š| ||
| 1870 | N | 23.9 | Very low | 23.8 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 40% | 0.401 | 68% | 0.675 | S | S | . | * | trans | 68.5 | 157.1 | 145.1 | -58.5 | 0.9 | 0 | 0 | 0 | 119.4 | V2376 T2377 | N1870-V2376 PolarHBondContact ND2-O 3.33Å; N1870-V2376 WeakPolarHBondContact OD1-CB 3.48Å; N1870-V2376 WeakPolarHBondContact OD1-CG1 3.26Å; N1870-V2376 PolarHBondContact OD1-O 3.43Å; N1870-T2377 PolarHBondContact ND2-OG1 2.83Å | ||
| 1871 | S | 25.5 | Very low | 23.6 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | cis | -147.8 | 174.4 | -15.2 | 39.8 | 0 | 0 | 0 | 0 | 106.4 | P2375 | S1871-P2375 WeakPolarHBondContact CB-O 3.36Š| ||
| 1872 | E | 25.8 | Very low | 23.7 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | S | Bend | cis | -148.1 | 153.1 | 29.2 | -65.4 | 162.9 | 165.3 | 0 | 0 | 107.4 | ||
| 1873 | D | 25.2 | Very low | 23.7 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 57% | 0.572 | 68% | 0.678 | S | S | * | * | cis | -125.1 | 136.5 | 8.6 | -78.4 | -56.1 | 0 | 0 | 0 | 115.4 | Y2374 P2375 | D1873-Y2374 WeakPolarHBondContact O-CA 3.45Å; D1873-P2375 VanDerWaalsContact C-CD 3.48Å; D1873-P2375 WeakPolarHBondContact O-CD 3.22Å | ||
| 1874 | E | 26.6 | Very low | 23.8 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 36% | 0.364 | 68% | 0.682 | S | S | . | * | trans | 39.3 | 148.5 | 131.8 | -62 | -69.1 | 45 | 0 | 0 | 127.9 | Y2374 T2377 | E1874-Y2374 WeakPolarHBondContact O-CD1 3.45Å; E1874-Y2374 WeakPolarHBondContact O-CE1 3.08Å; E1874-T2377 PolarHBondContact OE1-N 3.11Å | ||
| 1875 | D | 27.3 | Very low | 23.8 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | trans | 95.9 | 60.7 | 151 | -66.6 | -1.9 | 0 | 0 | 0 | 123.5 | Y2374 | D1875-Y2374 WeakPolarHBondContact O-CE1 3.3Å; D1875-Y2374 PolarHBondContact O-OH 3.05Å | ||
| 1876 | E | 25.3 | Very low | 23.9 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | 66.5 | 104.4 | 128 | -62.4 | -149.7 | 137.6 | 0 | 0 | 122.3 | |||||
| 1877 | L | 23.2 | Very low | 23.8 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 82% | 0.817 | 65% | 0.647 | S | S | * | * | trans | -62.7 | 136.7 | 137.6 | -81 | 156.2 | 0 | 0 | 0 | 111.6 | ||||
| 1878 | R | 24.4 | Very low | 23.8 | Very low | 218 Ų | 218 | 126.9 Ų | 126.9 | 82% | 0.823 | 64% | 0.642 | S | S | * | * | trans | -160.4 | 123.4 | 135.5 | -116.2 | 162.8 | -165.6 | -123.4 | -4.6 | 115.2 | ||||
| 1879 | V | 22.5 | Very low | 23.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -74.9 | 133 | 156.4 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1880 | V | 23.1 | Very low | 23.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 76% | 0.758 | 66% | 0.659 | S | S | * | * | trans | -130.7 | 133.2 | 148.9 | 177.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1881 | E | 20.3 | Very low | 23.7 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | trans | -70.1 | 151.2 | -175.5 | -59.5 | 138.9 | 124.8 | 0 | 0 | 111.7 | ||||
| 1882 | N | 22.7 | Very low | 23.7 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | -168 | 132.5 | 123.2 | -94.3 | -43.3 | 0 | 0 | 0 | 112.7 | |||||
| 1883 | Y | 21.2 | Very low | 23.7 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | trans | -5.3 | 137.8 | 158.8 | -56 | -99.2 | 0 | 0 | 0 | 119.7 | ||||
| 1884 | I | 24.4 | Very low | 23.6 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | -173.3 | 146.7 | 101.4 | -94.2 | 159 | 0 | 0 | 0 | 110.7 | |||||
| 1885 | N | 21.9 | Very low | 23.5 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 42% | 0.417 | 70% | 0.695 | S | S | . | * | trans | -62.4 | 155.4 | 175.5 | -71.7 | -1.1 | 0 | 0 | 0 | 113.2 | N1489 A1493 | N1489-N1885 PolarHBondContact O-ND2 2.95Å; A1493-N1885 HydrophobicContact CB-CB 4.02Å | ||
| 1886 | M | 24.5 | Very low | 23.3 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -170.4 | 134.6 | 131.8 | -103.2 | -63.8 | -70.5 | 0 | 0 | 110.3 | ||||
| 1887 | D | 21.4 | Very low | 23.2 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 51% | 0.513 | 71% | 0.706 | S | S | . | * | trans | -63.5 | 133.4 | 169.4 | -52.4 | -100.3 | 0 | 0 | 0 | 111.1 | N1490 | N1490-D1887 PolarHBondContact ND2-OD1 2.97Å; N1490-D1887 PolarHBondContact ND2-OD2 3.35Å | ||
| 1888 | K | 25.2 | Very low | 23.3 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | trans | -139.6 | 154.7 | 151.9 | -73.2 | -155.7 | 173.9 | -174.1 | 0 | 112.7 | N2628 | K1888-N2628 PolarHBondContact NZ-O 3.27Š| ||
| 1889 | E | 22 | Very low | 23.2 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 170.8 | -168.5 | -65 | 154.7 | 110.2 | 0 | 0 | 113.3 | ||||
| 1890 | Y | 23.9 | Very low | 23.5 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -28 | 131.7 | 171.4 | -74.5 | -95.4 | 0 | 0 | 0 | 116 | ||||
| 1891 | L | 22.1 | Very low | 23.4 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -118.9 | 119.5 | 152.9 | -102.9 | 165.8 | 0 | 0 | 0 | 109.6 | ||||
| 1892 | V | 25.1 | Very low | 23.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | trans | -144.6 | 125.2 | 162.6 | -166.8 | 0 | 0 | 0 | 0 | 101.3 | ||||
| 1893 | T | 25 | Very low | 23.8 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | -145.5 | -167.3 | 64.7 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1894 | D | 23.2 | Very low | 23.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | cis | -141 | 139.3 | 11.5 | -88.1 | -66.9 | 0 | 0 | 0 | 108.9 | R2347 | D1894-R2347 IonicContact OD2-NH2 2.97Š| ||
| 1895 | S | 24.4 | Very low | 23.9 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | 73.6 | 147.9 | 99.1 | 98.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1896 | D | 23.2 | Very low | 24 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -147.4 | -170.5 | -1.2 | -142.6 | 20.9 | 0 | 0 | 0 | 107.8 | ||||
| 1897 | T | 24.3 | Very low | 24 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | cis | -138.1 | -172 | 12.9 | 7.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1898 | E | 23.7 | Very low | 24.1 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | cis | -147.9 | -164.5 | 12.3 | -147.2 | 170.6 | -103.7 | 0 | 0 | 110.8 | ||||
| 1899 | S | 22.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -97.5 | 139.3 | -170.4 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1900 | V | 28.1 | Very low | 24.5 | Very low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -148.5 | 112.1 | 138.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1901 | D | 21.8 | Very low | 24.5 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | trans | -86.1 | 121.9 | 162.9 | -89.7 | -53.8 | 0 | 0 | 0 | 110.3 | ||||
| 1902 | S | 22.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | trans | 175.2 | 98.5 | 147.5 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1903 | F | 28.3 | Very low | 24.7 | Very low | 212 Ų | 212 | 126.4 Ų | 126.4 | 93% | 0.93 | 70% | 0.701 | S | S | * | * | trans | -146.8 | 35.4 | 162.4 | -126.1 | -80.6 | 0 | 0 | 0 | 114 | G1905 | F1903-G1905 PolarHBondContact O-N 3.44Š| ||
| 1904 | E | 23.3 | Very low | 24.8 | Very low | 199 Ų | 199 | 128.2 Ų | 128.2 | 93% | 0.93 | 71% | 0.707 | S | S | * | * | trans | -73 | 109.9 | 162.9 | -67.5 | -162.7 | 138.3 | 0 | 0 | 109.5 | ||||
| 1905 | G | 24.6 | Very low | 24.9 | Very low | 62 Ų | 62 | 127.1 Ų | 127.1 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | trans | -161.4 | 66.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1903 V1907 | F1903-G1905 PolarHBondContact O-N 3.44Å; G1905-V1907 PolarHBondContact O-N 3.04Å | ||
| 1906 | N | 24 | Very low | 24.9 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | 35.8 | 76.3 | 165.9 | -72.7 | -5.5 | 0 | 0 | 0 | 116.8 | H1908 | N1906-H1908 PolarHBondContact O-N 2.89Š| ||
| 1907 | V | 25.6 | Very low | 25 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | trans | -70.5 | 94.5 | 161.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | G1905 F1909 | G1905-V1907 PolarHBondContact O-N 3.04Å; V1907-F1909 HydrophobicContact CB-CD2 4.18Å; V1907-F1909 HydrophobicContact CB-CE2 3.86Å; V1907-F1909 HydrophobicContact CG1-CD1 4.48Å; V1907-F1909 HydrophobicContact CG1-CD2 3.72Å; V1907-F1909 HydrophobicContact CG1-CE1 4.33Å; V1907-F1909 HydrophobicContact CG1-CE2 3.52Å; V1907-F1909 HydrophobicContact CG1-CG 4.2Å; V1907-F1909 HydrophobicContact CG1-CZ 3.85Å; V1907-F1909 WeakPolarHBondContact O-CD2 3.28Å; V1907-F1909 PolarHBondContact O-N 3.36Å; V1907-F1909 VanDerWaalsContact O-N 3.1Å | ||
| 1908 | H | 23.7 | Very low | 25.1 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | -69.1 | 100.4 | 163.7 | -89.6 | -84.2 | 0 | 0 | 0 | 108.8 | N1906 F1910 | N1906-H1908 PolarHBondContact O-N 2.89Å; H1908-F1910 PolarHBondContact O-N 2.94Å; H1908-F1910 VanDerWaalsContact O-N 3.13Å | ||
| 1909 | F | 27.8 | Very low | 25.2 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 44% | 0.439 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -66.1 | -9.8 | -176.3 | -88.3 | -88.1 | 0 | 0 | 0 | 115.1 | V1907 | V1907-F1909 HydrophobicContact CB-CD2 4.18Å; V1907-F1909 HydrophobicContact CB-CE2 3.86Å; V1907-F1909 HydrophobicContact CG1-CD1 4.48Å; V1907-F1909 HydrophobicContact CG1-CD2 3.72Å; V1907-F1909 HydrophobicContact CG1-CE1 4.33Å; V1907-F1909 HydrophobicContact CG1-CE2 3.52Å; V1907-F1909 HydrophobicContact CG1-CG 4.2Å; V1907-F1909 HydrophobicContact CG1-CZ 3.85Å; V1907-F1909 WeakPolarHBondContact O-CD2 3.28Å; V1907-F1909 PolarHBondContact O-N 3.36Å; V1907-F1909 VanDerWaalsContact O-N 3.1Å |
| 1910 | F | 27.1 | Very low | 25.2 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 43% | 0.434 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -139.7 | 145.7 | 163.1 | -70.8 | -79.9 | 0 | 0 | 0 | 110.4 | H1908 D2540 | H1908-F1910 PolarHBondContact O-N 2.94Å; H1908-F1910 VanDerWaalsContact O-N 3.13Å; F1910-D2540 VanDerWaalsContact CD2-OD2 3.3Å; F1910-D2540 WeakPolarHBondContact CD2-OD2 3.49Å; F1910-D2540 WeakPolarHBondContact CE2-OD1 3.28Å; F1910-D2540 WeakPolarHBondContact CE2-OD2 3.37Å |
| 1911 | P | 23.5 | Very low | 25.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | -65.9 | 148.7 | 152.8 | 32.6 | -33.1 | 0 | 0 | 0 | 108.8 | E1913 | P1911-E1913 PolarHBondContact O-N 3.11Š| ||
| 1912 | P | 24 | Very low | 25.1 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | trans | -60.2 | 134.1 | 176.3 | 25.8 | -33.7 | 0 | 0 | 0 | 110.7 | D1914 | P1912-D1914 PolarHBondContact O-N 3.45Š| ||
| 1913 | E | 26.9 | Very low | 25.1 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | trans | -70.4 | 83.9 | 158.6 | -72 | -168.2 | 143.5 | 0 | 0 | 107.8 | P1911 D1915 R2146 | P1911-E1913 PolarHBondContact O-N 3.11Å; E1913-D1915 PolarHBondContact O-N 3.26Å; E1913-R2146 IonicContact OE1-NH1 3.27Å; E1913-R2146 PolarHBondContact OE1-NH1 3.1Å; E1913-R2146 IonicContact OE2-CZ 2.71Å; E1913-R2146 IonicContact OE2-NH1 3.09Å; E1913-R2146 PolarHBondContact OE2-NH1 3Å; E1913-R2146 IonicContact OE2-NH2 3.79Å; E1913-R2146 PolarHBondContact OE2-NH2 2.94Å | ||
| 1914 | D | 27 | Very low | 24.9 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -63.8 | 106.5 | 173.3 | -79.8 | -35.2 | 0 | 0 | 0 | 109.4 | P1912 N1916 | P1912-D1914 PolarHBondContact O-N 3.45Å; D1914-N1916 PolarHBondContact O-N 3.22Å | ||
| 1915 | D | 25.7 | Very low | 24.8 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | trans | -47.3 | 120 | 169.1 | -94.5 | -58.6 | 0 | 0 | 0 | 110.3 | E1913 T2169 A2170 | E1913-D1915 PolarHBondContact O-N 3.26Å; D1915-T2169 WeakPolarHBondContact OD1-CA 3.45Å; D1915-A2170 WeakPolarHBondContact OD1-CB 3.38Å; D1915-A2170 PolarHBondContact OD1-N 3.14Å; D1915-A2170 WeakPolarHBondContact OD2-CB 3.43Å; D1915-A2170 PolarHBondContact OD2-N 2.74Å | ||
| 1916 | N | 23.7 | Very low | 24.8 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 81% | 0.807 | 63% | 0.627 | S | S | * | * | trans | 177 | 99 | 137.3 | -91.9 | -59.4 | 0 | 0 | 0 | 110.1 | D1914 | D1914-N1916 PolarHBondContact O-N 3.22Š| ||
| 1917 | D | 25.7 | Very low | 24.8 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | -167.6 | 123 | 115.4 | -106.8 | -19.7 | 0 | 0 | 0 | 110.5 | |||||
| 1918 | Y | 26.5 | Very low | 24.7 | Very low | 116 Ų | 116 | 120 Ų | 120 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | trans | -79.9 | 141.1 | 173.2 | -80.3 | -19.1 | 0 | 0 | 0 | 110.7 | Q2167 T2169 | Y1918-Q2167 HydrophobicContact CD1-CB 3.43Å; Y1918-Q2167 VanDerWaalsContact CD1-CB 3.43Å; Y1918-Q2167 HydrophobicContact CD1-CG 4.43Å; Y1918-Q2167 HydrophobicContact CD2-CB 4.03Å; Y1918-Q2167 HydrophobicContact CD2-CG 4.26Å; Y1918-Q2167 HydrophobicContact CE1-CB 3.39Å; Y1918-Q2167 HydrophobicContact CE2-CB 4.01Å; Y1918-Q2167 HydrophobicContact CE2-CG 4.38Å; Y1918-Q2167 VanDerWaalsContact CE2-OE1 3.24Å; Y1918-Q2167 HydrophobicContact CG-CB 3.69Å; Y1918-Q2167 HydrophobicContact CG-CG 4.21Å; Y1918-T2169 HydrophobicContact CE1-CG2 3.64Å; Y1918-T2169 WeakPolarHBondContact OH-CG2 3.43Å | ||
| 1919 | D | 25.9 | Very low | 24.7 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | trans | -46.4 | 156.2 | -178.7 | -59.5 | -81.6 | 0 | 0 | 0 | 114.8 | P2168 | D1919-P2168 WeakPolarHBondContact OD2-CD 3.32Š| ||
| 1920 | N | 23.4 | Very low | 24.5 | Very low | 107 Ų | 107 | 122 Ų | 122 | 57% | 0.572 | 63% | 0.626 | S | S | * | * | -178 | 126.5 | 112.5 | -104.1 | -71.4 | 0 | 0 | 0 | 118.3 | K1669 | K1669-N1920 VanDerWaalsContact CE-CG 3.49Å; K1669-N1920 WeakPolarHBondContact CE-OD1 3.45Å; K1669-N1920 PolarHBondContact NZ-OD1 2.88Å | |||
| 1921 | D | 25.4 | Very low | 24.4 | Very low | 80 Ų | 80 | 123.3 Ų | 123.3 | 43% | 0.428 | 64% | 0.637 | S | S | . | * | trans | 56.1 | 112.7 | 166.1 | -73.5 | 13.7 | 0 | 0 | 0 | 123.9 | K1669 | K1669-D1921 HydrophobicContact CD-CB 4Å; K1669-D1921 WeakPolarHBondContact CD-OD2 3.46Å; K1669-D1921 WeakPolarHBondContact CE-OD2 3.39Å; K1669-D1921 HydrophobicContact CG-CB 3.88Å; K1669-D1921 IonicContact NZ-OD1 3.93Å; K1669-D1921 PolarHBondContact NZ-OD1 3.05Å; K1669-D1921 IonicContact NZ-OD2 2.79Å; K1669-D1921 PolarHBondContact NZ-OD2 3.31Å | ||
| 1922 | L | 22.6 | Very low | 24.4 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | 40.3 | 113.5 | 103.6 | -72 | 170.1 | 0 | 0 | 0 | 121.9 | |||||
| 1923 | S | 22.3 | Very low | 24.4 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | 103.5 | 138.9 | 122.1 | 71.8 | 0 | 0 | 0 | 0 | 122.5 | R1671 | R1671-S1923 WeakPolarHBondContact CG-OG 3.11Å; R1671-S1923 PolarHBondContact NE-OG 3.25Å | |||
| 1924 | E | 23.7 | Very low | 24.3 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | trans | 77.7 | 94.4 | 163.2 | -65.4 | -168.9 | 153.1 | 0 | 0 | 122.5 | ||||
| 1925 | F | 22.5 | Very low | 24.2 | Very low | 182 Ų | 182 | 118.1 Ų | 118.1 | 80% | 0.798 | 60% | 0.602 | S | S | * | * | 65.2 | 101.7 | 120.9 | -90.3 | -96.1 | 0 | 0 | 0 | 122 | |||||
| 1926 | N | 24.3 | Very low | 24.2 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 62% | 0.618 | S | S | * | * | 90 | 132.4 | 119.3 | -101.5 | 0.9 | 0 | 0 | 0 | 123.7 | |||||
| 1927 | I | 24.1 | Very low | 24.1 | Very low | 132 Ų | 132 | 117 Ų | 117 | 68% | 0.677 | 61% | 0.61 | S | S | * | * | trans | 80.2 | 100.7 | 140.4 | -67.4 | 166.6 | 0 | 0 | 0 | 118.7 | ||||
| 1928 | S | 22.8 | Very low | 24.2 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | trans | 69.4 | 145.6 | 134.5 | -66.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1929 | R | 24.2 | Very low | 24.3 | Very low | 194 Ų | 194 | 112.2 Ų | 112.2 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | cis | -158.1 | 166.8 | 3 | -128.5 | 171.4 | -174.8 | 176.2 | 0.4 | 110.1 | ||||
| 1930 | Q | 23.5 | Very low | 24.6 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | trans | 60.1 | 91.1 | 157.3 | -76.1 | 167.2 | -39.5 | 0 | 0 | 115.1 | K1643 | K1643-Q1930 HydrophobicContact CD-CB 3.63Å; K1643-Q1930 HydrophobicContact CD-CG 4.36Å; K1643-Q1930 PolarHBondContact NZ-O 3.45Å | ||
| 1931 | L | 24.3 | Very low | 24.9 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | 72.7 | 150.9 | 88.7 | -68.6 | 164.7 | 0 | 0 | 0 | 113.1 | K1643 | K1643-L1931 PolarHBondContact NZ-O 3.04Š| |||
| 1932 | D | 24.7 | Very low | 25.4 | Very low | 48 Ų | 48 | 121 Ų | 121 | 26% | 0.257 | 62% | 0.616 | S | S | . | * | cis | -149.3 | 162.9 | 22.4 | -50.3 | -105.2 | 0 | 0 | 0 | 111.4 | K1643 N1645 T1646 | K1643-D1932 WeakPolarHBondContact CA-OD2 3.37Å; K1643-D1932 WeakPolarHBondContact CB-OD2 3.42Å; K1643-D1932 WeakPolarHBondContact CG-OD2 3.33Å; N1645-D1932 PolarHBondContact N-OD1 3.32Å; N1645-D1932 VanDerWaalsContact N-OD1 3.08Å; T1646-D1932 HydrophobicContact CG2-CB 4.1Å; T1646-D1932 VanDerWaalsContact OG1-C 3.3Å; T1646-D1932 WeakPolarHBondContact OG1-CB 3.47Å | ||
| 1933 | S | 24.1 | Very low | 26.3 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | trans | -163.2 | 137.7 | 169.2 | 60.8 | 0 | 0 | 0 | 0 | 116.1 | T1646 | T1646-S1933 VanDerWaalsContact CB-C 3.46Å; T1646-S1933 WeakPolarHBondContact CG2-O 3.37Å; T1646-S1933 WeakPolarHBondContact OG1-CA 3.14Å; T1646-S1933 PolarHBondContact OG1-N 3.4Å | ||
| 1934 | E | 24 | Very low | 27.2 | Very low | 81 Ų | 81 | 123 Ų | 123 | 38% | 0.379 | 62% | 0.619 | S | S | . | * | trans | -121.6 | 176 | -172.1 | -116.9 | -151.9 | 154.9 | 0 | 0 | 110.6 | T1646 Y1647 | T1646-E1934 HydrophobicContact CG2-CB 3.57Å; T1646-E1934 HydrophobicContact CG2-CG 3.53Å; T1646-E1934 VanDerWaalsContact CG2-N 3.3Å; Y1647-E1934 WeakPolarHBondContact CB-OE2 3.22Å; Y1647-E1934 HydrophobicContact CD1-CB 3.59Å; Y1647-E1934 WeakPolarHBondContact CD1-O 3.46Å; Y1647-E1934 HydrophobicContact CE1-CB 4.43Å; Y1647-E1934 WeakPolarHBondContact CE1-O 3.22Å; Y1647-E1934 HydrophobicContact CG-CB 3.65Å | ||
| 1935 | K | 23.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 54% | 0.543 | 61% | 0.613 | S | S | . | * | cis | -98.5 | 154.4 | -14 | -91.8 | -179.1 | -175.1 | -179.3 | 0 | 109.3 | Y1647 S1937 | Y1647-K1935 HydrophobicContact CD1-CG 4.39Å; Y1647-K1935 HydrophobicContact CD2-CD 4.12Å; Y1647-K1935 HydrophobicContact CD2-CG 4.05Å; Y1647-K1935 HydrophobicContact CE1-CB 4.09Å; Y1647-K1935 HydrophobicContact CE1-CG 4.13Å; Y1647-K1935 VanDerWaalsContact CE1-N 3.32Å; Y1647-K1935 HydrophobicContact CE2-CB 4.46Å; Y1647-K1935 HydrophobicContact CE2-CD 3.59Å; Y1647-K1935 HydrophobicContact CE2-CG 3.78Å; Y1647-K1935 HydrophobicContact CG-CG 4.38Å; K1935-S1937 PolarHBondContact O-N 2.87Å | ||
| 1936 | P | 26.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 117 Ų | 117 | 81% | 0.805 | 59% | 0.587 | S | S | * | * | trans | -73.7 | 123.2 | 176.7 | 30.1 | -33 | 0 | 0 | 0 | 111 | ||||
| 1937 | S | 22.4 | Very low | 32.9 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | trans | -136.7 | 103.2 | 165.4 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | K1935 D1939 | K1935-S1937 PolarHBondContact O-N 2.87Å; S1937-D1939 PolarHBondContact O-N 2.73Å | ||
| 1938 | N | 27.4 | Very low | 35.4 | Very low | 57 Ų | 57 | 105.8 Ų | 105.8 | 31% | 0.305 | 53% | 0.532 | S | S | . | . | S | Bend | trans | 67.1 | 8.2 | 151.5 | -61 | -35.4 | 0 | 0 | 0 | 121.8 | M1812 H1814 I1940 | M1812-N1938 HydrophobicContact CE-CB 3.97Å; M1812-N1938 HydrophobicContact CG-CB 3.75Å; M1812-N1938 HydrophobicContact SD-CB 3.35Å; M1812-N1938 WeakPolarHBondContact SD-CB 3.36Å; H1814-N1938 PolarHBondContact CE1-ND2 3.19Å; H1814-N1938 PolarHBondContact CE1-OD1 2.96Å; H1814-N1938 VanDerWaalsContact CE1-OD1 3.23Å; H1814-N1938 PolarHBondContact ND1-ND2 3.19Å; H1814-N1938 PolarHBondContact ND1-OD1 2.86Å; N1938-I1940 PolarHBondContact O-N 2.72Å |
| 1939 | D | 29.6 | Very low | 38.3 | Very low | 108 Ų | 108 | 101.4 Ų | 101.4 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -74.4 | 8.6 | 175.5 | -121.9 | -15 | 0 | 0 | 0 | 115.3 | S1937 R1941 K1942 | S1937-D1939 PolarHBondContact O-N 2.73Å; D1939-R1941 PolarHBondContact O-N 3.17Å; D1939-R1941 VanDerWaalsContact O-N 3.15Å; D1939-K1942 PolarHBondContact O-N 2.91Å; D1939-K1942 VanDerWaalsContact OD1-CD 3.25Å; D1939-K1942 WeakPolarHBondContact OD1-CD 3.27Å; D1939-K1942 WeakPolarHBondContact OD1-CE 3.44Å; D1939-K1942 IonicContact OD1-NZ 2.78Å; D1939-K1942 PolarHBondContact OD1-NZ 3.34Å; D1939-K1942 IonicContact OD2-NZ 3.16Å |
| 1940 | I | 31.9 | Very low | 41.3 | Very low | 128 Ų | 128 | 92.7 Ų | 92.7 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -66.3 | -15.8 | -176.1 | -67.6 | 177.3 | 0 | 0 | 0 | 113.1 | I1592 N1938 K1942 | I1592-I1940 HydrophobicContact CD1-CG2 3.41Å; I1592-I1940 VanDerWaalsContact CD1-CG2 3.41Å; N1938-I1940 PolarHBondContact O-N 2.72Å; I1940-K1942 PolarHBondContact O-N 3.01Å |
| 1941 | R | 29.8 | Very low | 44.4 | Very low | 187 Ų | 187 | 89.4 Ų | 89.4 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -82.5 | 0.2 | 179.4 | -76.6 | -175.2 | 164.6 | -166.3 | -8.3 | 115.6 | D1939 | D1939-R1941 PolarHBondContact O-N 3.17Å; D1939-R1941 VanDerWaalsContact O-N 3.15Å |
| 1942 | K | 36.2 | Very low | 47.5 | Very low | 154 Ų | 154 | 83.4 Ų | 83.4 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -99.1 | 10.3 | -173.9 | -72.4 | -173.4 | -171.3 | 143.3 | 0 | 117.3 | D1939 I1940 A1944 | D1939-K1942 PolarHBondContact O-N 2.91Å; D1939-K1942 VanDerWaalsContact OD1-CD 3.25Å; D1939-K1942 WeakPolarHBondContact OD1-CD 3.27Å; D1939-K1942 WeakPolarHBondContact OD1-CE 3.44Å; D1939-K1942 IonicContact OD1-NZ 2.78Å; D1939-K1942 PolarHBondContact OD1-NZ 3.34Å; D1939-K1942 IonicContact OD2-NZ 3.16Å; I1940-K1942 PolarHBondContact O-N 3.01Å; K1942-A1944 PolarHBondContact O-N 3.02Å |
| 1943 | R | 40 | Very low | 50.7 | Low | 168 Ų | 168 | 81.2 Ų | 81.2 | 63% | 0.634 | 41% | 0.414 | S | S | * | . | trans | -77.6 | 62.6 | 167.6 | -69.6 | -167.3 | -176 | -165.6 | 3.6 | 110.9 | E1588 C1589 Y1945 | E1588-R1943 PolarHBondContact O-NH1 3.29Å; C1589-R1943 PolarHBondContact SG-NH1 2.79Å; R1943-Y1945 PolarHBondContact O-N 3.09Å | ||
| 1944 | A | 41.7 | Very low | 53.8 | Low | 64 Ų | 64 | 77.6 Ų | 77.6 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | trans | -72 | 110 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1942 | K1942-A1944 PolarHBondContact O-N 3.02Š| ||
| 1945 | Y | 52.6 | Low | 57.1 | Low | 180 Ų | 180 | 73.8 Ų | 73.8 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | trans | 38.1 | 119.3 | 158.2 | -53.6 | -88.4 | 0 | 0 | 0 | 118.6 | R1943 T2142 R2143 | R1943-Y1945 PolarHBondContact O-N 3.09Å; Y1945-T2142 WeakPolarHBondContact CB-O 3.2Å; Y1945-R2143 PolarHBondContact O-NE 3.3Å; Y1945-R2143 PolarHBondContact O-NH2 2.93Å | ||
| 1946 | Q | 64.1 | Low | 60.3 | Low | 51 Ų | 51 | 67.9 Ų | 67.9 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | trans | -130.5 | 149.9 | 151.7 | -66.1 | 179.2 | 37.5 | 0 | 0 | 106.5 | C1583 G1948 | C1583-Q1946 PolarHBondContact SG-NE2 2.86Å; C1583-Q1946 VanDerWaalsContact SG-NE2 3.38Å; Q1946-G1948 PolarHBondContact O-N 2.84Å; Q1946-G1948 VanDerWaalsContact O-N 3.12Å | ||
| 1947 | P | 73.6 | Confident | 63.3 | Low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | trans | -58.9 | 120.1 | 173.3 | 22.1 | -30.9 | 0 | 0 | 0 | 109.7 | R1572 I1952 Y2139 T2142 | R1572-P1947 VanDerWaalsContact CD-O 3.24Å; R1572-P1947 WeakPolarHBondContact CD-O 3.33Å; P1947-I1952 HydrophobicContact CB-CD1 4.1Å; P1947-I1952 HydrophobicContact CB-CG1 4.15Å; P1947-I1952 HydrophobicContact CG-CD1 4.27Å; P1947-Y2139 HydrophobicContact CG-CD1 4.11Å; P1947-Y2139 HydrophobicContact CG-CD2 4.47Å; P1947-Y2139 HydrophobicContact CG-CE1 3.72Å; P1947-Y2139 HydrophobicContact CG-CE2 4.11Å; P1947-Y2139 HydrophobicContact CG-CG 4.47Å; P1947-T2142 HydrophobicContact CB-CG2 4.16Å; P1947-T2142 WeakPolarHBondContact CB-OG1 3.37Å | ||
| 1948 | G | 77.2 | Confident | 66.3 | Low | 15 Ų | 15 | 58.2 Ų | 58.2 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | trans | -72.7 | 160.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1946 T1950 T1951 I1952 | Q1946-G1948 PolarHBondContact O-N 2.84Å; Q1946-G1948 VanDerWaalsContact O-N 3.12Å; G1948-T1950 PolarHBondContact O-N 3.36Å; G1948-T1950 VanDerWaalsContact O-N 3.16Å; G1948-T1951 PolarHBondContact N-OG1 2.86Å; G1948-T1951 PolarHBondContact O-N 3.21Å; G1948-I1952 PolarHBondContact O-N 3.41Å; G1948-I1952 VanDerWaalsContact O-N 3.13Å | ||
| 1949 | P | 84 | Confident | 68.7 | Low | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.3 | -35.7 | 175.2 | -25.2 | 34.7 | 0 | 0 | 0 | 112.2 | P1208 L1565 A1568 E1569 I1952 L1953 | P1208-P1949 HydrophobicContact CG-CB 4.29Å; P1208-P1949 HydrophobicContact CG-CG 4.49Å; L1565-P1949 HydrophobicContact CD2-CB 4.21Å; A1568-P1949 WeakPolarHBondContact CB-O 3.41Å; E1569-P1949 HydrophobicContact CB-CB 4.38Å; E1569-P1949 HydrophobicContact CB-CG 4.33Å; P1949-I1952 PolarHBondContact O-N 3.29Å; P1949-L1953 WeakPolarHBondContact O-CB 3.43Å; P1949-L1953 PolarHBondContact O-N 3.05Å |
| 1950 | T | 86.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 173.9 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | P1208 F1597 G1948 L1953 Q1954 | P1208-T1950 WeakPolarHBondContact CG-OG1 3.44Å; F1597-T1950 HydrophobicContact CD2-CG2 4.35Å; F1597-T1950 HydrophobicContact CE1-CG2 3.96Å; F1597-T1950 HydrophobicContact CE2-CG2 3.56Å; F1597-T1950 HydrophobicContact CZ-CG2 3.33Å; G1948-T1950 PolarHBondContact O-N 3.36Å; G1948-T1950 VanDerWaalsContact O-N 3.16Å; T1950-L1953 PolarHBondContact O-N 3.24Å; T1950-Q1954 PolarHBondContact O-N 3.31Å |
| 1951 | T | 87.8 | Confident | 73 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74 | -32.6 | -176.4 | -26.2 | 0 | 0 | 0 | 0 | 111.6 | G1948 A1955 M1970 C2138 T2142 | G1948-T1951 PolarHBondContact N-OG1 2.86Å; G1948-T1951 PolarHBondContact O-N 3.21Å; T1951-A1955 PolarHBondContact O-N 3.04Å; T1951-M1970 HydrophobicContact CG2-CE 4Å; T1951-C2138 VanDerWaalsContact C-SG 3.58Å; T1951-C2138 PolarHBondContact O-SG 3.46Å; T1951-C2138 VanDerWaalsContact O-SG 3.32Å; T1951-T2142 HydrophobicContact CG2-CG2 4.15Å |
| 1952 | I | 90.6 | Very high | 75 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74 | -38.6 | 172.7 | -69.4 | 168.3 | 0 | 0 | 0 | 110.5 | A1568 L1571 R1572 P1947 G1948 P1949 Q1954 A1955 L1956 L2135 Y2139 | A1568-I1952 HydrophobicContact CB-CB 4.37Å; A1568-I1952 HydrophobicContact CB-CG2 4.02Å; L1571-I1952 HydrophobicContact CD2-CG2 4.16Å; R1572-I1952 HydrophobicContact CB-CD1 3.53Å; R1572-I1952 HydrophobicContact CG-CD1 3.59Å; P1947-I1952 HydrophobicContact CB-CD1 4.1Å; P1947-I1952 HydrophobicContact CB-CG1 4.15Å; P1947-I1952 HydrophobicContact CG-CD1 4.27Å; G1948-I1952 PolarHBondContact O-N 3.41Å; G1948-I1952 VanDerWaalsContact O-N 3.13Å; P1949-I1952 PolarHBondContact O-N 3.29Å; I1952-Q1954 VanDerWaalsContact C-N 3.32Å; I1952-Q1954 PolarHBondContact O-N 3.44Å; I1952-A1955 PolarHBondContact O-N 2.91Å; I1952-L1956 HydrophobicContact CG2-CD1 4.3Å; I1952-L1956 WeakPolarHBondContact O-CG 3.35Å; I1952-L1956 PolarHBondContact O-N 3.08Å; I1952-L2135 HydrophobicContact CG2-CD2 4.27Å; I1952-Y2139 HydrophobicContact CD1-CE2 4.43Å |
| 1953 | L | 91.3 | Very high | 77.1 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 172.5 | 178 | 57 | 0 | 0 | 0 | 111.5 | H1564 L1565 A1568 P1949 T1950 A1955 L1956 T1957 I1965 I2025 | H1564-L1953 HydrophobicContact CB-CD1 3.72Å; H1564-L1953 HydrophobicContact CB-CD2 4.5Å; L1565-L1953 HydrophobicContact CD2-CD2 3.66Å; L1565-L1953 HydrophobicContact CG-CD2 3.89Å; A1568-L1953 HydrophobicContact CB-CB 4.03Å; P1949-L1953 WeakPolarHBondContact O-CB 3.43Å; P1949-L1953 PolarHBondContact O-N 3.05Å; T1950-L1953 PolarHBondContact O-N 3.24Å; L1953-A1955 VanDerWaalsContact C-N 3.29Å; L1953-A1955 PolarHBondContact O-N 3.27Å; L1953-L1956 WeakPolarHBondContact O-CB 3.47Å; L1953-L1956 PolarHBondContact O-N 3.46Å; L1953-T1957 PolarHBondContact O-N 3.38Å; L1953-T1957 VanDerWaalsContact O-N 3.17Å; L1953-T1957 PolarHBondContact O-OG1 3.32Å; L1953-I1965 HydrophobicContact CD2-CD1 4.38Å; L1953-I1965 HydrophobicContact CG-CD1 4.02Å; L1953-I2025 HydrophobicContact CD1-CD1 3.92Å |
| 1954 | Q | 89.9 | Confident | 78.9 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 174.7 | -180 | 171.3 | -1 | 0 | 0 | 112.8 | T1950 I1952 L1956 T1957 I1965 N1966 L1967 M1970 | T1950-Q1954 PolarHBondContact O-N 3.31Å; I1952-Q1954 VanDerWaalsContact C-N 3.32Å; I1952-Q1954 PolarHBondContact O-N 3.44Å; Q1954-L1956 VanDerWaalsContact C-N 3.26Å; Q1954-L1956 PolarHBondContact O-N 2.91Å; Q1954-T1957 PolarHBondContact O-N 3.32Å; Q1954-I1965 HydrophobicContact CB-CB 4.45Å; Q1954-I1965 HydrophobicContact CB-CD1 4.42Å; Q1954-I1965 HydrophobicContact CG-CB 4.24Å; Q1954-N1966 WeakPolarHBondContact CG-O 3.31Å; Q1954-N1966 PolarHBondContact NE2-O 3.08Å; Q1954-N1966 VanDerWaalsContact NE2-O 3.1Å; Q1954-N1966 CarbonylContact O-C 3.57Å; Q1954-L1967 WeakPolarHBondContact O-CA 3.41Å; Q1954-L1967 PolarHBondContact O-N 2.84Å; Q1954-M1970 HydrophobicContact CB-SD 4.19Å; Q1954-M1970 HydrophobicContact CG-CG 4.49Å; Q1954-M1970 HydrophobicContact CG-SD 3.86Å |
| 1955 | A | 91.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.5 | -17.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | T1951 I1952 L1953 M1970 C2131 A2134 L2135 C2138 | T1951-A1955 PolarHBondContact O-N 3.04Å; I1952-A1955 PolarHBondContact O-N 2.91Å; L1953-A1955 VanDerWaalsContact C-N 3.29Å; L1953-A1955 PolarHBondContact O-N 3.27Å; A1955-M1970 HydrophobicContact CB-SD 4.36Å; A1955-C2131 PolarHBondContact O-SG 3.3Å; A1955-A2134 HydrophobicContact CB-CB 3.92Å; A1955-L2135 HydrophobicContact CB-CD2 3.84Å; A1955-L2135 HydrophobicContact CB-CG 4.07Å; A1955-C2138 HydrophobicContact CB-CB 4.47Å |
| 1956 | L | 91.5 | Very high | 82.5 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -91.9 | -13.9 | 176.8 | -68 | 169.2 | 0 | 0 | 0 | 113.5 | A1568 L1571 I1952 L1953 Q1954 R2023 M2024 I2025 | A1568-L1956 HydrophobicContact CB-CD1 4.26Å; L1571-L1956 HydrophobicContact CD2-CD1 4.14Å; L1571-L1956 HydrophobicContact CD2-CD2 4.09Å; L1571-L1956 HydrophobicContact CD2-CG 4.5Å; I1952-L1956 HydrophobicContact CG2-CD1 4.3Å; I1952-L1956 WeakPolarHBondContact O-CG 3.35Å; I1952-L1956 PolarHBondContact O-N 3.08Å; L1953-L1956 WeakPolarHBondContact O-CB 3.47Å; L1953-L1956 PolarHBondContact O-N 3.46Å; Q1954-L1956 VanDerWaalsContact C-N 3.26Å; Q1954-L1956 PolarHBondContact O-N 2.91Å; L1956-R2023 HydrophobicContact CD2-CB 4.44Å; L1956-M2024 HydrophobicContact CD2-CG 4.19Å; L1956-M2024 WeakPolarHBondContact O-CA 3.41Å; L1956-I2025 PolarHBondContact O-N 2.71Å |
| 1957 | T | 90.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 113.8 | -174.1 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | L1953 Q1954 S1961 D1963 I1965 L1967 | L1953-T1957 PolarHBondContact O-N 3.38Å; L1953-T1957 VanDerWaalsContact O-N 3.17Å; L1953-T1957 PolarHBondContact O-OG1 3.32Å; Q1954-T1957 PolarHBondContact O-N 3.32Å; T1957-S1961 VanDerWaalsContact CG2-OG 3.23Å; T1957-S1961 WeakPolarHBondContact CG2-OG 3.13Å; T1957-D1963 HydrophobicContact CG2-CB 3.86Å; T1957-I1965 HydrophobicContact CG2-CG1 4.41Å; T1957-I1965 WeakPolarHBondContact CG2-O 3.4Å; T1957-L1967 PolarHBondContact O-N 3.3Å |
| 1958 | M | 85.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 24.4 Ų | 24.4 | 6% | 0.059 | 14% | 0.142 | C | C | . | . | trans | -76.4 | 145.4 | 174.9 | -59.7 | -179 | 56.7 | 0 | 0 | 111.1 | C1960 S1961 L1967 M2024 I2025 I2123 P2124 S2127 | M1958-C1960 PolarHBondContact O-N 3.21Å; M1958-S1961 VanDerWaalsContact O-CB 3.29Å; M1958-S1961 WeakPolarHBondContact O-CB 3.45Å; M1958-S1961 PolarHBondContact O-N 3.17Å; M1958-S1961 PolarHBondContact O-OG 2.88Å; M1958-L1967 HydrophobicContact CG-CD2 4.22Å; M1958-M2024 HydrophobicContact CG-CE 3.67Å; M1958-M2024 HydrophobicContact SD-CE 3.74Å; M1958-I2025 VanDerWaalsContact CB-O 3.3Å; M1958-I2025 WeakPolarHBondContact CB-O 3.14Å; M1958-I2025 WeakPolarHBondContact CG-O 3.28Å; M1958-I2025 PolarHBondContact N-O 2.93Å; M1958-I2025 VanDerWaalsContact N-O 3.11Å; M1958-I2123 HydrophobicContact SD-CG1 4.42Å; M1958-I2123 HydrophobicContact SD-CG2 4.12Å; M1958-P2124 HydrophobicContact CE-CG 4.48Å; M1958-S2127 WeakPolarHBondContact CE-OG 3.44Å | ||
| 1959 | S | 78 | Confident | 84.9 | Confident | 60 Ų | 60 | 24.8 Ų | 24.8 | 42% | 0.42 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -59.6 | -29.3 | 178.3 | 46 | 0 | 0 | 0 | 0 | 114.1 | S1961 N1962 E1968 | S1959-S1961 PolarHBondContact O-N 3.24Å; S1959-N1962 PolarHBondContact O-N 3.47Å; S1959-E1968 WeakPolarHBondContact CB-OE1 3.48Å; S1959-E1968 PolarHBondContact OG-OE1 2.91Å |
| 1960 | C | 75.4 | Confident | 85.3 | Confident | 73 Ų | 73 | 24.5 Ų | 24.5 | 49% | 0.493 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -71.9 | -4.4 | 174.3 | 64.7 | 0 | 0 | 0 | 0 | 115.2 | M1958 G2026 | M1958-C1960 PolarHBondContact O-N 3.21Å; C1960-G2026 PolarHBondContact SG-O 3.43Å |
| 1961 | S | 75.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -73.6 | -17.7 | 166.1 | 69.7 | 0 | 0 | 0 | 0 | 112.9 | T1957 M1958 S1959 D1963 K2028 | T1957-S1961 VanDerWaalsContact CG2-OG 3.23Å; T1957-S1961 WeakPolarHBondContact CG2-OG 3.13Å; M1958-S1961 VanDerWaalsContact O-CB 3.29Å; M1958-S1961 WeakPolarHBondContact O-CB 3.45Å; M1958-S1961 PolarHBondContact O-N 3.17Å; M1958-S1961 PolarHBondContact O-OG 2.88Å; S1959-S1961 PolarHBondContact O-N 3.24Å; S1961-D1963 PolarHBondContact O-N 3.43Å; S1961-K2028 WeakPolarHBondContact O-CA 3.32Å |
| 1962 | N | 72.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 24.5 Ų | 24.5 | 49% | 0.492 | 13% | 0.134 | S | C | . | . | trans | 54.7 | 37.1 | -176 | -157 | 16 | 0 | 0 | 0 | 113.3 | I1479 S1959 | I1479-N1962 WeakPolarHBondContact CD1-O 3.48Å; I1479-N1962 VanDerWaalsContact CG1-O 3.26Å; I1479-N1962 WeakPolarHBondContact CG1-O 3.37Å; S1959-N1962 PolarHBondContact O-N 3.47Å | ||
| 1963 | D | 80 | Confident | 85.7 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | trans | -84 | 163.8 | 167.7 | -168.7 | 16 | 0 | 0 | 0 | 110.6 | R1561 T1957 S1961 I1965 | R1561-D1963 IonicContact CZ-OD2 3.81Å; R1561-D1963 IonicContact NH1-OD1 2.6Å; R1561-D1963 IonicContact NH1-OD2 2.89Å; R1561-D1963 PolarHBondContact NH1-OD2 3.28Å; R1561-D1963 IonicContact NH2-OD1 3.09Å; R1561-D1963 IonicContact NH2-OD2 3.88Å; R1561-D1963 PolarHBondContact NH2-OD2 2.97Å; T1957-D1963 HydrophobicContact CG2-CB 3.86Å; S1961-D1963 PolarHBondContact O-N 3.43Å; D1963-I1965 PolarHBondContact O-N 3.48Å; D1963-I1965 WeakPolarHBondContact OD2-CG1 3.37Å | ||
| 1964 | F | 78.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 24.6 Ų | 24.6 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -76.8 | 0.3 | 178.9 | 73.7 | -83.3 | 0 | 0 | 0 | 114.3 | P1211 F1213 L1478 F1597 | P1211-F1964 HydrophobicContact CG-CE2 4.27Å; P1211-F1964 HydrophobicContact CG-CZ 3.77Å; F1213-F1964 HydrophobicContact CE2-CD1 4.35Å; F1213-F1964 HydrophobicContact CE2-CE1 4.49Å; L1478-F1964 WeakPolarHBondContact O-CD1 3.27Å; F1597-F1964 HydrophobicContact CD1-CE2 4.25Å; F1597-F1964 HydrophobicContact CD1-CZ 4.36Å; F1597-F1964 AromaticContact CE1-CE2 3.85Å; F1597-F1964 HydrophobicContact CE1-CE2 3.85Å; F1597-F1964 AromaticContact CE1-CZ 3.69Å; F1597-F1964 HydrophobicContact CE1-CZ 3.69Å |
| 1965 | I | 83.2 | Confident | 85.9 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | trans | -124.8 | 141.2 | 174 | 53.2 | 169.9 | 0 | 0 | 0 | 109.7 | R1561 L1600 L1953 Q1954 T1957 D1963 | R1561-I1965 VanDerWaalsContact NH2-CD1 3.28Å; L1600-I1965 HydrophobicContact CD2-CG2 3.65Å; L1953-I1965 HydrophobicContact CD2-CD1 4.38Å; L1953-I1965 HydrophobicContact CG-CD1 4.02Å; Q1954-I1965 HydrophobicContact CB-CB 4.45Å; Q1954-I1965 HydrophobicContact CB-CD1 4.42Å; Q1954-I1965 HydrophobicContact CG-CB 4.24Å; T1957-I1965 HydrophobicContact CG2-CG1 4.41Å; T1957-I1965 WeakPolarHBondContact CG2-O 3.4Å; D1963-I1965 PolarHBondContact O-N 3.48Å; D1963-I1965 WeakPolarHBondContact OD2-CG1 3.37Å | ||
| 1966 | N | 85.7 | Confident | 86 | Confident | 38 Ų | 38 | 24 Ų | 24 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | trans | -141.8 | 158 | 175.8 | 72.1 | -4.8 | 0 | 0 | 0 | 112.5 | Q1954 E1968 | Q1954-N1966 WeakPolarHBondContact CG-O 3.31Å; Q1954-N1966 PolarHBondContact NE2-O 3.08Å; Q1954-N1966 VanDerWaalsContact NE2-O 3.1Å; Q1954-N1966 CarbonylContact O-C 3.57Å; N1966-E1968 PolarHBondContact ND2-OE2 2.81Å | ||
| 1967 | L | 91.1 | Very high | 86.1 | Confident | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -75.9 | -19.9 | -179.2 | 65.6 | 82.9 | 0 | 0 | 0 | 114.3 | Q1954 T1957 M1958 R1969 M1970 E1971 D2130 C2131 A2134 | Q1954-L1967 WeakPolarHBondContact O-CA 3.41Å; Q1954-L1967 PolarHBondContact O-N 2.84Å; T1957-L1967 PolarHBondContact O-N 3.3Å; M1958-L1967 HydrophobicContact CG-CD2 4.22Å; L1967-R1969 PolarHBondContact O-N 3.39Å; L1967-M1970 CarbonylContact O-C 3.56Å; L1967-M1970 WeakPolarHBondContact O-CA 3.44Å; L1967-M1970 WeakPolarHBondContact O-CB 3.25Å; L1967-M1970 PolarHBondContact O-N 2.83Å; L1967-E1971 HydrophobicContact CD1-CB 4.13Å; L1967-E1971 PolarHBondContact O-N 2.95Å; L1967-D2130 HydrophobicContact CD1-CB 4.09Å; L1967-C2131 HydrophobicContact CD2-CB 4.48Å; L1967-A2134 HydrophobicContact CB-CB 3.81Å; L1967-A2134 HydrophobicContact CD1-CB 4.43Å |
| 1968 | E | 86.8 | Confident | 86.3 | Confident | 59 Ų | 59 | 24 Ų | 24 | 28% | 0.276 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.3 | -36 | -165.6 | -58.7 | 175.7 | 166.8 | 0 | 0 | 114.7 | S1959 N1966 M1970 T1972 P2281 | S1959-E1968 WeakPolarHBondContact CB-OE1 3.48Å; S1959-E1968 PolarHBondContact OG-OE1 2.91Å; N1966-E1968 PolarHBondContact ND2-OE2 2.81Å; E1968-M1970 VanDerWaalsContact C-N 3.29Å; E1968-M1970 PolarHBondContact O-N 2.71Å; E1968-T1972 PolarHBondContact O-N 2.76Å; E1968-T1972 VanDerWaalsContact O-N 3.15Å; E1968-T1972 PolarHBondContact O-OG1 2.72Å; E1968-P2281 HydrophobicContact CB-CB 3.49Å; E1968-P2281 VanDerWaalsContact CB-CB 3.49Å; E1968-P2281 HydrophobicContact CB-CG 3.81Å; E1968-P2281 WeakPolarHBondContact OE2-CG 3.47Å |
| 1969 | R | 88.3 | Confident | 86.6 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 173.1 | -73.3 | -169.1 | 67.3 | -155.9 | -0 | 111.3 | L1967 Y2273 H2279 P2281 L2284 | L1967-R1969 PolarHBondContact O-N 3.39Å; R1969-Y2273 HydrophobicContact CB-CE2 4.09Å; R1969-Y2273 PolarHBondContact NH2-O 2.84Å; R1969-Y2273 VanDerWaalsContact O-CE2 3.3Å; R1969-Y2273 WeakPolarHBondContact O-CE2 3.37Å; R1969-H2279 PolarHBondContact NE-O 3.12Å; R1969-P2281 HydrophobicContact CG-CB 3.88Å; R1969-P2281 HydrophobicContact CG-CG 4.2Å; R1969-L2284 HydrophobicContact CG-CD1 4.04Å |
| 1970 | M | 90.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -78.9 | -37.3 | -178.7 | -46 | -161.7 | 85.9 | 0 | 0 | 111.7 | T1951 Q1954 A1955 L1967 E1968 T1972 I1973 G1974 A2134 C2138 | T1951-M1970 HydrophobicContact CG2-CE 4Å; Q1954-M1970 HydrophobicContact CB-SD 4.19Å; Q1954-M1970 HydrophobicContact CG-CG 4.49Å; Q1954-M1970 HydrophobicContact CG-SD 3.86Å; A1955-M1970 HydrophobicContact CB-SD 4.36Å; L1967-M1970 CarbonylContact O-C 3.56Å; L1967-M1970 WeakPolarHBondContact O-CA 3.44Å; L1967-M1970 WeakPolarHBondContact O-CB 3.25Å; L1967-M1970 PolarHBondContact O-N 2.83Å; E1968-M1970 VanDerWaalsContact C-N 3.29Å; E1968-M1970 PolarHBondContact O-N 2.71Å; M1970-T1972 VanDerWaalsContact C-N 3.31Å; M1970-T1972 PolarHBondContact O-N 2.74Å; M1970-I1973 WeakPolarHBondContact O-CG2 3.28Å; M1970-I1973 PolarHBondContact O-N 3.38Å; M1970-G1974 PolarHBondContact O-N 3.06Å; M1970-A2134 HydrophobicContact CB-CB 3.93Å; M1970-C2138 VanDerWaalsContact CE-CA 3.49Å; M1970-C2138 HydrophobicContact CE-CB 3.65Å; M1970-C2138 HydrophobicContact SD-CB 4.32Å |
| 1971 | E | 93.5 | Very high | 88.2 | Confident | 37 Ų | 37 | 20.3 Ų | 20.3 | 17% | 0.173 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51 | -50.9 | 167.5 | 178.4 | -172.3 | 174.7 | 0 | 0 | 109.8 | L1967 I1973 G1974 D1975 K2126 D2130 | L1967-E1971 HydrophobicContact CD1-CB 4.13Å; L1967-E1971 PolarHBondContact O-N 2.95Å; E1971-I1973 PolarHBondContact O-N 2.79Å; E1971-G1974 PolarHBondContact O-N 2.92Å; E1971-G1974 VanDerWaalsContact O-N 3.15Å; E1971-D1975 WeakPolarHBondContact O-CB 3.14Å; E1971-D1975 PolarHBondContact O-N 3.02Å; E1971-K2126 IonicContact OE1-NZ 2.99Å; E1971-K2126 PolarHBondContact OE1-NZ 2.81Å; E1971-D2130 HydrophobicContact CG-CB 4.27Å |
| 1972 | T | 89.7 | Confident | 89 | Confident | 13 Ų | 13 | 20 Ų | 20 | 8% | 0.08 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | -175 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | E1968 M1970 S1976 T2269 | E1968-T1972 PolarHBondContact O-N 2.76Å; E1968-T1972 VanDerWaalsContact O-N 3.15Å; E1968-T1972 PolarHBondContact O-OG1 2.72Å; M1970-T1972 VanDerWaalsContact C-N 3.31Å; M1970-T1972 PolarHBondContact O-N 2.74Å; T1972-S1976 PolarHBondContact O-OG 2.96Å; T1972-S1976 VanDerWaalsContact O-OG 3.09Å; T1972-T2269 HydrophobicContact CG2-CG2 3.96Å |
| 1973 | I | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -83 | -26.4 | 178 | -168.4 | 62.5 | 0 | 0 | 0 | 112.5 | M1970 E1971 S1976 F1977 L2140 T2141 Y2266 T2269 R2270 Y2273 | M1970-I1973 WeakPolarHBondContact O-CG2 3.28Å; M1970-I1973 PolarHBondContact O-N 3.38Å; E1971-I1973 PolarHBondContact O-N 2.79Å; I1973-S1976 PolarHBondContact O-OG 3.4Å; I1973-F1977 WeakPolarHBondContact O-CB 3.45Å; I1973-F1977 PolarHBondContact O-N 3.22Å; I1973-L2140 HydrophobicContact CG1-CD2 4.12Å; I1973-T2141 HydrophobicContact CG2-CG2 4.37Å; I1973-Y2266 HydrophobicContact CD1-CD2 4.25Å; I1973-Y2266 HydrophobicContact CD1-CE2 3.77Å; I1973-Y2266 HydrophobicContact CG1-CE2 4.48Å; I1973-T2269 HydrophobicContact CD1-CG2 4.06Å; I1973-R2270 HydrophobicContact CD1-CB 4.02Å; I1973-Y2273 HydrophobicContact CB-CD2 4Å; I1973-Y2273 HydrophobicContact CB-CE2 4.38Å; I1973-Y2273 HydrophobicContact CB-CG 4.36Å; I1973-Y2273 HydrophobicContact CG1-CG 4.49Å; I1973-Y2273 HydrophobicContact CG2-CD2 3.98Å; I1973-Y2273 HydrophobicContact CG2-CE2 3.84Å |
| 1974 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -71.1 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1970 E1971 F1977 L1978 E2133 | M1970-G1974 PolarHBondContact O-N 3.06Å; E1971-G1974 PolarHBondContact O-N 2.92Å; E1971-G1974 VanDerWaalsContact O-N 3.15Å; G1974-F1977 PolarHBondContact O-N 2.94Å; G1974-L1978 WeakPolarHBondContact O-CB 3.47Å; G1974-L1978 PolarHBondContact O-N 3.08Å; G1974-E2133 WeakPolarHBondContact CA-O 3.27Å |
| 1975 | D | 92.9 | Very high | 91 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 11% | 0.107 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 175.6 | 163.8 | 64.1 | 0 | 0 | 0 | 112.2 | E1971 L1978 K1979 R2288 | E1971-D1975 WeakPolarHBondContact O-CB 3.14Å; E1971-D1975 PolarHBondContact O-N 3.02Å; D1975-L1978 PolarHBondContact O-N 3.04Å; D1975-K1979 WeakPolarHBondContact O-CB 3.37Å; D1975-K1979 WeakPolarHBondContact O-CG 3.44Å; D1975-K1979 PolarHBondContact O-N 2.98Å; D1975-K1979 WeakPolarHBondContact OD1-CE 3.47Å; D1975-K1979 IonicContact OD1-NZ 3.83Å; D1975-K1979 PolarHBondContact OD1-NZ 2.67Å; D1975-K1979 IonicContact OD2-NZ 3.16Å; D1975-K1979 PolarHBondContact OD2-NZ 3.27Å; D1975-R2288 IonicContact OD2-CZ 3.44Å; D1975-R2288 VanDerWaalsContact OD2-CZ 3.27Å; D1975-R2288 IonicContact OD2-NH1 2.75Å; D1975-R2288 PolarHBondContact OD2-NH1 3.39Å; D1975-R2288 IonicContact OD2-NH2 2.89Å; D1975-R2288 PolarHBondContact OD2-NH2 3.09Å |
| 1976 | S | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | -179.8 | 48.7 | 0 | 0 | 0 | 0 | 112 | T1972 I1973 K1979 F1980 | T1972-S1976 PolarHBondContact O-OG 2.96Å; T1972-S1976 VanDerWaalsContact O-OG 3.09Å; I1973-S1976 PolarHBondContact O-OG 3.4Å; S1976-K1979 PolarHBondContact O-N 2.78Å; S1976-F1980 WeakPolarHBondContact O-CB 3.44Å; S1976-F1980 PolarHBondContact O-N 2.68Å |
| 1977 | F | 94 | Very high | 91.4 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.5 | -176 | -101.6 | 0 | 0 | 0 | 113 | I1973 G1974 F1980 V1981 I2136 L2140 E2145 A2148 L2149 M2152 Y2266 | I1973-F1977 WeakPolarHBondContact O-CB 3.45Å; I1973-F1977 PolarHBondContact O-N 3.22Å; G1974-F1977 PolarHBondContact O-N 2.94Å; F1977-F1980 HydrophobicContact CD2-CD1 4.09Å; F1977-F1980 HydrophobicContact CE2-CD1 4.21Å; F1977-F1980 HydrophobicContact CE2-CE1 4.41Å; F1977-F1980 PolarHBondContact O-N 2.94Å; F1977-V1981 HydrophobicContact CD1-CG2 4.04Å; F1977-V1981 HydrophobicContact CD2-CG2 4.34Å; F1977-V1981 HydrophobicContact CE1-CG2 3.54Å; F1977-V1981 HydrophobicContact CE2-CG2 3.88Å; F1977-V1981 HydrophobicContact CG-CG2 4.42Å; F1977-V1981 HydrophobicContact CZ-CG2 3.46Å; F1977-V1981 VanDerWaalsContact CZ-CG2 3.46Å; F1977-V1981 WeakPolarHBondContact O-CG2 3.32Å; F1977-V1981 PolarHBondContact O-N 3.21Å; F1977-I2136 HydrophobicContact CD1-CG2 3.91Å; F1977-L2140 HydrophobicContact CB-CD2 3.58Å; F1977-L2140 HydrophobicContact CD1-CD1 4.38Å; F1977-L2140 HydrophobicContact CD1-CD2 4.22Å; F1977-L2140 HydrophobicContact CD2-CD1 3.8Å; F1977-L2140 HydrophobicContact CD2-CD2 3.91Å; F1977-L2140 HydrophobicContact CE1-CD1 4.36Å; F1977-L2140 HydrophobicContact CE2-CD1 3.77Å; F1977-L2140 HydrophobicContact CG-CD1 4.11Å; F1977-L2140 HydrophobicContact CG-CD2 3.63Å; F1977-L2140 HydrophobicContact CG-CG 4.47Å; F1977-L2140 HydrophobicContact CZ-CD1 4.05Å; F1977-E2145 HydrophobicContact CE2-CB 3.94Å; F1977-E2145 HydrophobicContact CE2-CG 3.77Å; F1977-E2145 HydrophobicContact CZ-CB 3.9Å; F1977-E2145 HydrophobicContact CZ-CG 4.25Å; F1977-A2148 HydrophobicContact CD1-CB 4Å; F1977-A2148 HydrophobicContact CE1-CB 3.38Å; F1977-A2148 HydrophobicContact CZ-CB 4.02Å; F1977-L2149 HydrophobicContact CZ-CG 4.44Å; F1977-M2152 HydrophobicContact CD1-SD 4.44Å; F1977-M2152 HydrophobicContact CE1-SD 4.2Å; F1977-Y2266 HydrophobicContact CB-CD2 4.02Å; F1977-Y2266 HydrophobicContact CB-CE2 3.8Å; F1977-Y2266 HydrophobicContact CD2-CD2 4.47Å; F1977-Y2266 AromaticContact CD2-CE1 3.98Å; F1977-Y2266 HydrophobicContact CD2-CE1 3.98Å; F1977-Y2266 AromaticContact CD2-CE2 3.93Å; F1977-Y2266 HydrophobicContact CD2-CE2 3.93Å; F1977-Y2266 AromaticContact CD2-CZ 3.68Å; F1977-Y2266 HydrophobicContact CG-CE2 4.35Å |
| 1978 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.3 | 173.2 | 59.2 | 0 | 0 | 0 | 111.2 | G1974 D1975 V1982 V2006 L2011 E2133 I2136 M2152 I2157 | G1974-L1978 WeakPolarHBondContact O-CB 3.47Å; G1974-L1978 PolarHBondContact O-N 3.08Å; D1975-L1978 PolarHBondContact O-N 3.04Å; L1978-V1982 HydrophobicContact CD1-CG2 4.03Å; L1978-V1982 WeakPolarHBondContact O-CB 3.47Å; L1978-V1982 VanDerWaalsContact O-CG2 3.3Å; L1978-V1982 WeakPolarHBondContact O-CG2 3.21Å; L1978-V1982 PolarHBondContact O-N 2.94Å; L1978-V1982 VanDerWaalsContact O-N 3.07Å; L1978-V2006 HydrophobicContact CD2-CG1 4.11Å; L1978-V2006 HydrophobicContact CG-CG1 4.28Å; L1978-V2006 HydrophobicContact CG-CG2 4.24Å; L1978-L2011 HydrophobicContact CD2-CD1 3.8Å; L1978-L2011 HydrophobicContact CD2-CD2 4.09Å; L1978-E2133 HydrophobicContact CD2-CG 4.15Å; L1978-I2136 HydrophobicContact CD1-CD1 4.44Å; L1978-I2136 HydrophobicContact CD2-CD1 4.45Å; L1978-M2152 HydrophobicContact CD1-CE 3.5Å; L1978-M2152 VanDerWaalsContact CD1-CE 3.5Å; L1978-M2152 HydrophobicContact CD1-SD 4.21Å; L1978-I2157 HydrophobicContact CD1-CD1 4.1Å |
| 1979 | K | 92.8 | Very high | 91 | Very high | 65 Ų | 65 | 15.8 Ų | 15.8 | 28% | 0.283 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 173.6 | -76.5 | 165.2 | 174.6 | 158.6 | 0 | 111.7 | D1975 S1976 T1983 V2006 | D1975-K1979 WeakPolarHBondContact O-CB 3.37Å; D1975-K1979 WeakPolarHBondContact O-CG 3.44Å; D1975-K1979 PolarHBondContact O-N 2.98Å; D1975-K1979 WeakPolarHBondContact OD1-CE 3.47Å; D1975-K1979 IonicContact OD1-NZ 3.83Å; D1975-K1979 PolarHBondContact OD1-NZ 2.67Å; D1975-K1979 IonicContact OD2-NZ 3.16Å; D1975-K1979 PolarHBondContact OD2-NZ 3.27Å; S1976-K1979 PolarHBondContact O-N 2.78Å; K1979-T1983 WeakPolarHBondContact O-CB 3.36Å; K1979-T1983 PolarHBondContact O-N 3.18Å; K1979-T1983 PolarHBondContact O-OG1 3.18Å; K1979-V2006 HydrophobicContact CG-CG1 4.17Å |
| 1980 | F | 93.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.7 | -57.1 | 176.8 | 164.9 | -115.5 | 0 | 0 | 0 | 112 | S1976 F1977 V1982 T1983 V1984 W2174 A2262 V2263 Y2266 F2532 L2539 | S1976-F1980 WeakPolarHBondContact O-CB 3.44Å; S1976-F1980 PolarHBondContact O-N 2.68Å; F1977-F1980 HydrophobicContact CD2-CD1 4.09Å; F1977-F1980 HydrophobicContact CE2-CD1 4.21Å; F1977-F1980 HydrophobicContact CE2-CE1 4.41Å; F1977-F1980 PolarHBondContact O-N 2.94Å; F1980-V1982 PolarHBondContact O-N 3.4Å; F1980-T1983 WeakPolarHBondContact O-CB 3.43Å; F1980-T1983 PolarHBondContact O-N 2.85Å; F1980-T1983 VanDerWaalsContact O-N 3.12Å; F1980-V1984 HydrophobicContact CD2-CG2 3.92Å; F1980-V1984 HydrophobicContact CE2-CG2 3.59Å; F1980-V1984 HydrophobicContact CZ-CG2 4.18Å; F1980-V1984 WeakPolarHBondContact O-CG2 3.34Å; F1980-V1984 PolarHBondContact O-N 3.43Å; F1980-W2174 HydrophobicContact CE1-CH2 4.14Å; F1980-W2174 HydrophobicContact CE1-CZ3 4.37Å; F1980-W2174 HydrophobicContact CZ-CH2 4.21Å; F1980-W2174 HydrophobicContact CZ-CZ3 4.07Å; F1980-A2262 HydrophobicContact CB-CB 4.49Å; F1980-V2263 HydrophobicContact CD2-CG2 4.03Å; F1980-V2263 HydrophobicContact CE2-CG2 3.83Å; F1980-Y2266 HydrophobicContact CB-CG 4.36Å; F1980-Y2266 AromaticContact CD1-CD1 3.96Å; F1980-Y2266 HydrophobicContact CD1-CD1 3.96Å; F1980-Y2266 HydrophobicContact CD1-CE1 4.42Å; F1980-Y2266 HydrophobicContact CE1-CD1 4.37Å; F1980-Y2266 HydrophobicContact CG-CD1 4.25Å; F1980-F2532 AromaticContact CE2-CE1 3.89Å; F1980-F2532 HydrophobicContact CE2-CE1 3.89Å; F1980-F2532 HydrophobicContact CE2-CE2 4.26Å; F1980-F2532 AromaticContact CE2-CZ 3.57Å; F1980-F2532 HydrophobicContact CE2-CZ 3.57Å; F1980-F2532 HydrophobicContact CZ-CE1 4.35Å; F1980-F2532 HydrophobicContact CZ-CE2 4.19Å; F1980-F2532 AromaticContact CZ-CZ 3.6Å; F1980-F2532 HydrophobicContact CZ-CZ 3.6Å; F1980-L2539 HydrophobicContact CE1-CD1 4.05Å; F1980-L2539 HydrophobicContact CE2-CD2 3.96Å; F1980-L2539 HydrophobicContact CZ-CD1 3.97Å; F1980-L2539 HydrophobicContact CZ-CD2 3.89Å; F1980-L2539 HydrophobicContact CZ-CG 4.22Å |
| 1981 | V | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | -179.1 | 167.7 | 0 | 0 | 0 | 0 | 112.3 | F1977 T1983 V1984 H1985 L2149 M2152 C2159 W2174 | F1977-V1981 HydrophobicContact CD1-CG2 4.04Å; F1977-V1981 HydrophobicContact CD2-CG2 4.34Å; F1977-V1981 HydrophobicContact CE1-CG2 3.54Å; F1977-V1981 HydrophobicContact CE2-CG2 3.88Å; F1977-V1981 HydrophobicContact CG-CG2 4.42Å; F1977-V1981 HydrophobicContact CZ-CG2 3.46Å; F1977-V1981 VanDerWaalsContact CZ-CG2 3.46Å; F1977-V1981 WeakPolarHBondContact O-CG2 3.32Å; F1977-V1981 PolarHBondContact O-N 3.21Å; V1981-T1983 VanDerWaalsContact C-N 3.33Å; V1981-T1983 PolarHBondContact O-N 3.35Å; V1981-V1984 PolarHBondContact O-N 3.33Å; V1981-H1985 WeakPolarHBondContact O-CB 3.46Å; V1981-H1985 PolarHBondContact O-N 3.27Å; V1981-L2149 HydrophobicContact CB-CD2 4.2Å; V1981-L2149 HydrophobicContact CG1-CD2 3.41Å; V1981-L2149 VanDerWaalsContact CG1-CD2 3.41Å; V1981-L2149 HydrophobicContact CG2-CD2 3.65Å; V1981-M2152 HydrophobicContact CB-CE 3.96Å; V1981-M2152 HydrophobicContact CB-SD 4.24Å; V1981-M2152 HydrophobicContact CG1-CE 3.48Å; V1981-M2152 VanDerWaalsContact CG1-CE 3.48Å; V1981-M2152 HydrophobicContact CG1-SD 4.02Å; V1981-M2152 HydrophobicContact CG2-SD 4.42Å; V1981-C2159 HydrophobicContact CG1-CB 3.68Å; V1981-W2174 HydrophobicContact CG1-CZ2 4.37Å; V1981-W2174 HydrophobicContact CG2-CH2 4.38Å; V1981-W2174 HydrophobicContact CG2-CZ2 4.48Å |
| 1982 | V | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L1978 F1980 L1986 R2002 I2005 V2006 M2152 I2157 | L1978-V1982 HydrophobicContact CD1-CG2 4.03Å; L1978-V1982 WeakPolarHBondContact O-CB 3.47Å; L1978-V1982 VanDerWaalsContact O-CG2 3.3Å; L1978-V1982 WeakPolarHBondContact O-CG2 3.21Å; L1978-V1982 PolarHBondContact O-N 2.94Å; L1978-V1982 VanDerWaalsContact O-N 3.07Å; F1980-V1982 PolarHBondContact O-N 3.4Å; V1982-L1986 HydrophobicContact CG1-CD1 3.76Å; V1982-L1986 HydrophobicContact CG1-CG 4.24Å; V1982-L1986 WeakPolarHBondContact O-CB 3.29Å; V1982-L1986 WeakPolarHBondContact O-CG 3.34Å; V1982-L1986 PolarHBondContact O-N 2.95Å; V1982-R2002 HydrophobicContact CG1-CG 4.39Å; V1982-I2005 HydrophobicContact CG1-CB 4.17Å; V1982-I2005 HydrophobicContact CG1-CD1 4.05Å; V1982-I2005 HydrophobicContact CG1-CG2 4.07Å; V1982-I2005 HydrophobicContact CG2-CG2 3.94Å; V1982-V2006 HydrophobicContact CB-CG2 4.2Å; V1982-V2006 HydrophobicContact CG1-CG2 4.16Å; V1982-V2006 HydrophobicContact CG2-CG2 4.12Å; V1982-M2152 HydrophobicContact CG2-CE 4.28Å; V1982-I2157 HydrophobicContact CG2-CG2 4.35Å |
| 1983 | T | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -51.2 | 175.1 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | K1979 F1980 V1981 L1986 Y1987 R2002 F2258 L2259 A2262 | K1979-T1983 WeakPolarHBondContact O-CB 3.36Å; K1979-T1983 PolarHBondContact O-N 3.18Å; K1979-T1983 PolarHBondContact O-OG1 3.18Å; F1980-T1983 WeakPolarHBondContact O-CB 3.43Å; F1980-T1983 PolarHBondContact O-N 2.85Å; F1980-T1983 VanDerWaalsContact O-N 3.12Å; V1981-T1983 VanDerWaalsContact C-N 3.33Å; V1981-T1983 PolarHBondContact O-N 3.35Å; T1983-L1986 PolarHBondContact O-N 2.95Å; T1983-Y1987 WeakPolarHBondContact O-CB 3.4Å; T1983-Y1987 PolarHBondContact O-N 3.19Å; T1983-R2002 WeakPolarHBondContact OG1-CD 3.49Å; T1983-R2002 PolarHBondContact OG1-NH1 3.2Å; T1983-R2002 VanDerWaalsContact OG1-NH1 3.14Å; T1983-F2258 HydrophobicContact CG2-CD1 3.7Å; T1983-F2258 HydrophobicContact CG2-CE1 3.45Å; T1983-F2258 VanDerWaalsContact CG2-CE1 3.45Å; T1983-F2258 HydrophobicContact CG2-CE2 4.42Å; T1983-F2258 HydrophobicContact CG2-CG 4.3Å; T1983-F2258 HydrophobicContact CG2-CZ 3.84Å; T1983-F2258 WeakPolarHBondContact CG2-O 3.4Å; T1983-L2259 HydrophobicContact CG2-CD1 4.43Å; T1983-A2262 HydrophobicContact CG2-CB 3.86Å; T1983-A2262 WeakPolarHBondContact OG1-CB 3.34Å |
| 1984 | V | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 111 | F1980 V1981 L1986 Y1987 L1988 W2174 L2259 F2532 F2537 | F1980-V1984 HydrophobicContact CD2-CG2 3.92Å; F1980-V1984 HydrophobicContact CE2-CG2 3.59Å; F1980-V1984 HydrophobicContact CZ-CG2 4.18Å; F1980-V1984 WeakPolarHBondContact O-CG2 3.34Å; F1980-V1984 PolarHBondContact O-N 3.43Å; V1981-V1984 PolarHBondContact O-N 3.33Å; V1984-L1986 PolarHBondContact O-N 3.16Å; V1984-Y1987 PolarHBondContact O-N 3.37Å; V1984-L1988 HydrophobicContact CG1-CD1 3.78Å; V1984-L1988 HydrophobicContact CG1-CG 4.39Å; V1984-L1988 WeakPolarHBondContact O-CG 3.28Å; V1984-L1988 PolarHBondContact O-N 3.27Å; V1984-L1988 VanDerWaalsContact O-N 3.09Å; V1984-W2174 HydrophobicContact CB-CD2 4.44Å; V1984-W2174 HydrophobicContact CB-CE3 4.4Å; V1984-W2174 HydrophobicContact CB-CH2 4.03Å; V1984-W2174 HydrophobicContact CB-CZ2 4.08Å; V1984-W2174 HydrophobicContact CB-CZ3 4.2Å; V1984-W2174 HydrophobicContact CG1-CD2 3.57Å; V1984-W2174 HydrophobicContact CG1-CE3 3.57Å; V1984-W2174 HydrophobicContact CG1-CG 4.14Å; V1984-W2174 HydrophobicContact CG1-CH2 4.1Å; V1984-W2174 HydrophobicContact CG1-CZ2 4.11Å; V1984-W2174 HydrophobicContact CG1-CZ3 3.84Å; V1984-W2174 HydrophobicContact CG2-CH2 4.18Å; V1984-W2174 HydrophobicContact CG2-CZ3 4.18Å; V1984-L2259 HydrophobicContact CG2-CD1 3.8Å; V1984-F2532 HydrophobicContact CG2-CE1 3.95Å; V1984-F2532 HydrophobicContact CG2-CZ 4.45Å; V1984-F2537 HydrophobicContact CG1-CE1 4.22Å |
| 1985 | H | 89.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 178.8 | 178.1 | 86.3 | 0 | 0 | 0 | 112.4 | V1981 T1989 C2159 | V1981-H1985 WeakPolarHBondContact O-CB 3.46Å; V1981-H1985 PolarHBondContact O-N 3.27Å; H1985-T1989 WeakPolarHBondContact O-CB 3.44Å; H1985-T1989 PolarHBondContact O-N 3.38Å; H1985-T1989 PolarHBondContact O-OG1 2.88Å; H1985-C2159 HydrophobicContact CB-CB 4.13Å; H1985-C2159 WeakPolarHBondContact ND1-CA 3.44Å; H1985-C2159 PolarHBondContact ND1-O 3.43Å; H1985-C2159 VanDerWaalsContact ND1-O 3.07Å |
| 1986 | L | 89.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 177.2 | -72.1 | 173.3 | 0 | 0 | 0 | 112.4 | V1982 T1983 V1984 L1988 T1989 Y1990 L1998 L2001 R2002 I2005 | V1982-L1986 HydrophobicContact CG1-CD1 3.76Å; V1982-L1986 HydrophobicContact CG1-CG 4.24Å; V1982-L1986 WeakPolarHBondContact O-CB 3.29Å; V1982-L1986 WeakPolarHBondContact O-CG 3.34Å; V1982-L1986 PolarHBondContact O-N 2.95Å; T1983-L1986 PolarHBondContact O-N 2.95Å; V1984-L1986 PolarHBondContact O-N 3.16Å; L1986-L1988 VanDerWaalsContact C-N 3.31Å; L1986-L1988 PolarHBondContact O-N 3.41Å; L1986-T1989 PolarHBondContact O-N 3.49Å; L1986-Y1990 HydrophobicContact CD2-CD2 4.02Å; L1986-Y1990 HydrophobicContact CD2-CE2 3.8Å; L1986-Y1990 PolarHBondContact O-N 3.5Å; L1986-Y1990 VanDerWaalsContact O-N 3.1Å; L1986-L1998 HydrophobicContact CB-CD2 4.05Å; L1986-L1998 WeakPolarHBondContact O-CD2 3.46Å; L1986-L2001 HydrophobicContact CD1-CB 3.88Å; L1986-L2001 HydrophobicContact CD2-CB 3.97Å; L1986-L2001 HydrophobicContact CD2-CD1 4.29Å; L1986-R2002 HydrophobicContact CD1-CB 3.94Å; L1986-I2005 HydrophobicContact CD1-CD1 4.4Å; L1986-I2005 HydrophobicContact CD2-CD1 4.21Å |
| 1987 | Y | 88.1 | Confident | 84.8 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 177.8 | 177.4 | -80.7 | 0 | 0 | 0 | 111.9 | T1983 V1984 R2255 L2256 L2259 L2533 | T1983-Y1987 WeakPolarHBondContact O-CB 3.4Å; T1983-Y1987 PolarHBondContact O-N 3.19Å; V1984-Y1987 PolarHBondContact O-N 3.37Å; Y1987-R2255 HydrophobicContact CD2-CB 4.37Å; Y1987-R2255 VanDerWaalsContact CD2-O 3.3Å; Y1987-R2255 WeakPolarHBondContact CD2-O 3.28Å; Y1987-R2255 HydrophobicContact CE2-CB 3.88Å; Y1987-R2255 WeakPolarHBondContact CE2-O 3.41Å; Y1987-R2255 PolarHBondContact O-NH2 2.82Å; Y1987-L2256 HydrophobicContact CE2-CD2 4.29Å; Y1987-L2256 WeakPolarHBondContact OH-CD2 3.34Å; Y1987-L2259 HydrophobicContact CD2-CB 4.22Å; Y1987-L2259 HydrophobicContact CD2-CD2 4.35Å; Y1987-L2259 HydrophobicContact CE2-CB 4.49Å; Y1987-L2259 HydrophobicContact CE2-CD2 4.25Å; Y1987-L2533 HydrophobicContact CE1-CD1 4.19Å |
| 1988 | L | 86.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 41 Ų | 41 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.6 | -39.7 | -179.3 | -64.7 | 171.8 | 0 | 0 | 0 | 112.8 | V1984 L1986 W2174 P2177 F2537 | V1984-L1988 HydrophobicContact CG1-CD1 3.78Å; V1984-L1988 HydrophobicContact CG1-CG 4.39Å; V1984-L1988 WeakPolarHBondContact O-CG 3.28Å; V1984-L1988 PolarHBondContact O-N 3.27Å; V1984-L1988 VanDerWaalsContact O-N 3.09Å; L1986-L1988 VanDerWaalsContact C-N 3.31Å; L1986-L1988 PolarHBondContact O-N 3.41Å; L1988-W2174 HydrophobicContact CD1-CB 3.63Å; L1988-W2174 HydrophobicContact CD1-CG 3.77Å; L1988-P2177 HydrophobicContact CD2-CG 4.45Å; L1988-F2537 HydrophobicContact CD1-CE1 4.4Å; L1988-F2537 HydrophobicContact CD1-CZ 4.2Å; L1988-F2537 HydrophobicContact CD2-CZ 4.22Å |
| 1989 | T | 84.1 | Confident | 83.8 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.7 | -27.8 | -176.7 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | H1985 L1986 P1991 | H1985-T1989 WeakPolarHBondContact O-CB 3.44Å; H1985-T1989 PolarHBondContact O-N 3.38Å; H1985-T1989 PolarHBondContact O-OG1 2.88Å; L1986-T1989 PolarHBondContact O-N 3.49Å; T1989-P1991 VanDerWaalsContact C-CD 3.46Å; T1989-P1991 VanDerWaalsContact O-CD 3.31Å; T1989-P1991 WeakPolarHBondContact O-CD 3.32Å |
| 1990 | Y | 82.6 | Confident | 83.4 | Confident | 101 Ų | 101 | 42.6 Ų | 42.6 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | trans | -121.5 | 71.4 | -177.3 | -61.5 | -77.3 | 0 | 0 | 0 | 112.3 | L1986 E1992 A1993 L2001 | L1986-Y1990 HydrophobicContact CD2-CD2 4.02Å; L1986-Y1990 HydrophobicContact CD2-CE2 3.8Å; L1986-Y1990 PolarHBondContact O-N 3.5Å; L1986-Y1990 VanDerWaalsContact O-N 3.1Å; Y1990-E1992 PolarHBondContact O-N 3.49Å; Y1990-E1992 VanDerWaalsContact O-N 3.09Å; Y1990-A1993 WeakPolarHBondContact O-CB 3.42Å; Y1990-A1993 PolarHBondContact O-N 3.25Å; Y1990-L2001 HydrophobicContact CD2-CD1 4.33Å; Y1990-L2001 HydrophobicContact CE2-CD1 4.18Å | ||
| 1991 | P | 76.2 | Confident | 83 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 55% | 0.545 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.4 | -172.9 | 25.6 | -35.4 | 0 | 0 | 0 | 115.6 | T1989 R2255 | T1989-P1991 VanDerWaalsContact C-CD 3.46Å; T1989-P1991 VanDerWaalsContact O-CD 3.31Å; T1989-P1991 WeakPolarHBondContact O-CD 3.32Å; P1991-R2255 VanDerWaalsContact O-CZ 3.26Å; P1991-R2255 PolarHBondContact O-NH1 3.09Å; P1991-R2255 PolarHBondContact O-NH2 3.09Å |
| 1992 | E | 71.6 | Confident | 82.9 | Confident | 188 Ų | 188 | 46 Ų | 46 | 88% | 0.879 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108 | 7.4 | 173.1 | -61.9 | -165.9 | 166.7 | 0 | 0 | 113.6 | Y1990 | Y1990-E1992 PolarHBondContact O-N 3.49Å; Y1990-E1992 VanDerWaalsContact O-N 3.09Å |
| 1993 | A | 70.1 | Confident | 82.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | trans | -82.2 | 130.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y1990 K1997 L1998 R2255 | Y1990-A1993 WeakPolarHBondContact O-CB 3.42Å; Y1990-A1993 PolarHBondContact O-N 3.25Å; A1993-K1997 HydrophobicContact CB-CD 4.14Å; A1993-L1998 HydrophobicContact CB-CD2 3.8Å; A1993-L1998 HydrophobicContact CB-CG 3.94Å; A1993-R2255 WeakPolarHBondContact O-CD 3.35Å; A1993-R2255 PolarHBondContact O-NE 2.89Å | ||
| 1994 | H | 72.2 | Confident | 82.4 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | trans | -72.9 | 153.9 | 170.3 | 60.7 | -88.6 | 0 | 0 | 0 | 111.3 | G1996 K1997 L1998 | H1994-G1996 PolarHBondContact O-N 2.94Å; H1994-K1997 WeakPolarHBondContact O-CB 3.26Å; H1994-K1997 PolarHBondContact O-N 3.4Å; H1994-L1998 PolarHBondContact O-N 3.1Å | ||
| 1995 | E | 78.4 | Confident | 82.3 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -44.4 | -58.2 | -177.6 | 165.2 | -72.9 | 122.5 | 0 | 0 | 112.3 | K1997 L1998 S1999 Q2254 F2258 | E1995-K1997 PolarHBondContact O-N 3.23Å; E1995-L1998 CarbonylContact O-C 3.58Å; E1995-L1998 WeakPolarHBondContact O-CA 3.49Å; E1995-L1998 WeakPolarHBondContact O-CB 3.48Å; E1995-L1998 PolarHBondContact O-N 3.36Å; E1995-S1999 PolarHBondContact O-N 3.13Å; E1995-S1999 PolarHBondContact O-OG 3.33Å; E1995-S1999 PolarHBondContact OE1-OG 3.27Å; E1995-Q2254 HydrophobicContact CB-CB 3.94Å; E1995-Q2254 HydrophobicContact CG-CB 4.38Å; E1995-F2258 HydrophobicContact CG-CB 4.16Å |
| 1996 | G | 72.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.5 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | H1994 H2000 | H1994-G1996 PolarHBondContact O-N 2.94Å; G1996-H2000 WeakPolarHBondContact O-CB 3.39Å; G1996-H2000 PolarHBondContact O-N 2.82Å; G1996-H2000 VanDerWaalsContact O-N 3.12Å |
| 1997 | K | 77.9 | Confident | 82.3 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.5 | -38.5 | 171.8 | -179.5 | 179 | 177.2 | -177.4 | 0 | 111.5 | A1993 H1994 E1995 L2001 | A1993-K1997 HydrophobicContact CB-CD 4.14Å; H1994-K1997 WeakPolarHBondContact O-CB 3.26Å; H1994-K1997 PolarHBondContact O-N 3.4Å; E1995-K1997 PolarHBondContact O-N 3.23Å; K1997-L2001 HydrophobicContact CG-CD1 4.33Å; K1997-L2001 WeakPolarHBondContact O-CB 3.44Å; K1997-L2001 VanDerWaalsContact O-CG 3.3Å; K1997-L2001 WeakPolarHBondContact O-CG 3.39Å; K1997-L2001 PolarHBondContact O-N 3.39Å |
| 1998 | L | 83.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 173.3 | -62.7 | 169.2 | 0 | 0 | 0 | 110.6 | L1986 A1993 H1994 E1995 L2001 R2002 R2255 F2258 | L1986-L1998 HydrophobicContact CB-CD2 4.05Å; L1986-L1998 WeakPolarHBondContact O-CD2 3.46Å; A1993-L1998 HydrophobicContact CB-CD2 3.8Å; A1993-L1998 HydrophobicContact CB-CG 3.94Å; H1994-L1998 PolarHBondContact O-N 3.1Å; E1995-L1998 CarbonylContact O-C 3.58Å; E1995-L1998 WeakPolarHBondContact O-CA 3.49Å; E1995-L1998 WeakPolarHBondContact O-CB 3.48Å; E1995-L1998 PolarHBondContact O-N 3.36Å; L1998-L2001 PolarHBondContact O-N 2.92Å; L1998-R2002 WeakPolarHBondContact O-CB 3.4Å; L1998-R2002 PolarHBondContact O-N 3.22Å; L1998-R2255 HydrophobicContact CD1-CG 4.46Å; L1998-F2258 HydrophobicContact CB-CD1 4.05Å; L1998-F2258 HydrophobicContact CB-CD2 4.28Å; L1998-F2258 HydrophobicContact CB-CE1 3.66Å; L1998-F2258 HydrophobicContact CB-CE2 3.91Å; L1998-F2258 HydrophobicContact CB-CG 4.35Å; L1998-F2258 HydrophobicContact CB-CZ 3.59Å; L1998-F2258 HydrophobicContact CD1-CD1 3.98Å; L1998-F2258 HydrophobicContact CD1-CE1 4.13Å; L1998-F2258 HydrophobicContact CG-CE1 4.36Å |
| 1999 | S | 83.3 | Confident | 82.3 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | E1995 L2001 R2002 S2003 | E1995-S1999 PolarHBondContact O-N 3.13Å; E1995-S1999 PolarHBondContact O-OG 3.33Å; E1995-S1999 PolarHBondContact OE1-OG 3.27Å; S1999-L2001 PolarHBondContact O-N 2.98Å; S1999-R2002 PolarHBondContact O-N 3.33Å; S1999-S2003 PolarHBondContact O-N 3.4Å; S1999-S2003 PolarHBondContact O-OG 2.78Å |
| 2000 | H | 82.8 | Confident | 82.6 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174 | -176.8 | 100.4 | 0 | 0 | 0 | 112.4 | S1120 G1996 R2004 | S1120-H2000 PolarHBondContact OG-ND1 3.2Å; G1996-H2000 WeakPolarHBondContact O-CB 3.39Å; G1996-H2000 PolarHBondContact O-N 2.82Å; G1996-H2000 VanDerWaalsContact O-N 3.12Å; H2000-R2004 WeakPolarHBondContact O-CB 3.41Å; H2000-R2004 PolarHBondContact O-N 3.41Å |
| 2001 | L | 85.9 | Confident | 83 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.9 | -73.4 | 170 | 0 | 0 | 0 | 112.3 | L1986 Y1990 K1997 L1998 S1999 R2004 I2005 | L1986-L2001 HydrophobicContact CD1-CB 3.88Å; L1986-L2001 HydrophobicContact CD2-CB 3.97Å; L1986-L2001 HydrophobicContact CD2-CD1 4.29Å; Y1990-L2001 HydrophobicContact CD2-CD1 4.33Å; Y1990-L2001 HydrophobicContact CE2-CD1 4.18Å; K1997-L2001 HydrophobicContact CG-CD1 4.33Å; K1997-L2001 WeakPolarHBondContact O-CB 3.44Å; K1997-L2001 VanDerWaalsContact O-CG 3.3Å; K1997-L2001 WeakPolarHBondContact O-CG 3.39Å; K1997-L2001 PolarHBondContact O-N 3.39Å; L1998-L2001 PolarHBondContact O-N 2.92Å; S1999-L2001 PolarHBondContact O-N 2.98Å; L2001-R2004 PolarHBondContact O-N 3.26Å; L2001-I2005 WeakPolarHBondContact O-CG1 3.16Å; L2001-I2005 PolarHBondContact O-N 3.25Å; L2001-I2005 VanDerWaalsContact O-N 3.08Å |
| 2002 | R | 90.5 | Very high | 83.8 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -54.1 | 174.2 | -178.6 | 168.5 | 78.2 | 168.6 | 7.1 | 110.1 | V1982 T1983 L1986 L1998 S1999 R2004 I2005 V2006 F2258 D2261 | V1982-R2002 HydrophobicContact CG1-CG 4.39Å; T1983-R2002 WeakPolarHBondContact OG1-CD 3.49Å; T1983-R2002 PolarHBondContact OG1-NH1 3.2Å; T1983-R2002 VanDerWaalsContact OG1-NH1 3.14Å; L1986-R2002 HydrophobicContact CD1-CB 3.94Å; L1998-R2002 WeakPolarHBondContact O-CB 3.4Å; L1998-R2002 PolarHBondContact O-N 3.22Å; S1999-R2002 PolarHBondContact O-N 3.33Å; R2002-R2004 VanDerWaalsContact C-N 3.3Å; R2002-R2004 PolarHBondContact O-N 3.14Å; R2002-I2005 PolarHBondContact O-N 2.97Å; R2002-V2006 WeakPolarHBondContact O-CB 3.38Å; R2002-V2006 WeakPolarHBondContact O-CG2 3.46Å; R2002-V2006 PolarHBondContact O-N 2.99Å; R2002-F2258 HydrophobicContact CB-CE2 4.18Å; R2002-F2258 HydrophobicContact CB-CZ 4.19Å; R2002-D2261 IonicContact CZ-OD2 3.8Å; R2002-D2261 IonicContact NH1-OD2 3.73Å; R2002-D2261 PolarHBondContact NH1-OD2 3.11Å; R2002-D2261 IonicContact NH2-OD2 2.72Å; R2002-D2261 PolarHBondContact NH2-OD2 2.91Å |
| 2003 | S | 86.7 | Confident | 84.6 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 177.4 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | S1999 C2007 | S1999-S2003 PolarHBondContact O-N 3.4Å; S1999-S2003 PolarHBondContact O-OG 2.78Å; S2003-C2007 WeakPolarHBondContact O-CB 3.44Å; S2003-C2007 PolarHBondContact O-N 3.38Å |
| 2004 | R | 87.7 | Confident | 85.6 | Confident | 168 Ų | 168 | 56.3 Ų | 56.3 | 63% | 0.634 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.5 | -29.2 | 177.8 | -161.3 | -176.7 | 73.4 | 158.3 | 4.3 | 113.5 | H2000 L2001 R2002 | H2000-R2004 WeakPolarHBondContact O-CB 3.41Å; H2000-R2004 PolarHBondContact O-N 3.41Å; L2001-R2004 PolarHBondContact O-N 3.26Å; R2002-R2004 VanDerWaalsContact C-N 3.3Å; R2002-R2004 PolarHBondContact O-N 3.14Å |
| 2005 | I | 89.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.4 | -43 | 176.9 | -67.2 | 167.4 | 0 | 0 | 0 | 110.8 | V1982 L1986 L2001 R2002 N2010 I2157 | V1982-I2005 HydrophobicContact CG1-CB 4.17Å; V1982-I2005 HydrophobicContact CG1-CD1 4.05Å; V1982-I2005 HydrophobicContact CG1-CG2 4.07Å; V1982-I2005 HydrophobicContact CG2-CG2 3.94Å; L1986-I2005 HydrophobicContact CD1-CD1 4.4Å; L1986-I2005 HydrophobicContact CD2-CD1 4.21Å; L2001-I2005 WeakPolarHBondContact O-CG1 3.16Å; L2001-I2005 PolarHBondContact O-N 3.25Å; L2001-I2005 VanDerWaalsContact O-N 3.08Å; R2002-I2005 PolarHBondContact O-N 2.97Å; I2005-N2010 PolarHBondContact O-ND2 3.37Å; I2005-I2157 HydrophobicContact CG2-CG2 4.27Å |
| 2006 | V | 89.7 | Confident | 86.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -89.4 | -7.6 | -171.5 | -177.6 | 0 | 0 | 0 | 0 | 113.1 | L1978 K1979 V1982 R2002 N2008 L2011 | L1978-V2006 HydrophobicContact CD2-CG1 4.11Å; L1978-V2006 HydrophobicContact CG-CG1 4.28Å; L1978-V2006 HydrophobicContact CG-CG2 4.24Å; K1979-V2006 HydrophobicContact CG-CG1 4.17Å; V1982-V2006 HydrophobicContact CB-CG2 4.2Å; V1982-V2006 HydrophobicContact CG1-CG2 4.16Å; V1982-V2006 HydrophobicContact CG2-CG2 4.12Å; R2002-V2006 WeakPolarHBondContact O-CB 3.38Å; R2002-V2006 WeakPolarHBondContact O-CG2 3.46Å; R2002-V2006 PolarHBondContact O-N 2.99Å; V2006-N2008 PolarHBondContact O-N 3.38Å; V2006-L2011 WeakPolarHBondContact O-CD1 3.33Å |
| 2007 | C | 87.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 57 Ų | 57 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -61.2 | 141.1 | -179 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | S2003 S2009 N2010 L2011 | S2003-C2007 WeakPolarHBondContact O-CB 3.44Å; S2003-C2007 PolarHBondContact O-N 3.38Å; C2007-S2009 PolarHBondContact O-N 2.96Å; C2007-N2010 WeakPolarHBondContact O-CB 3.47Å; C2007-N2010 PolarHBondContact O-N 3.34Å; C2007-L2011 PolarHBondContact O-N 3.47Å; C2007-L2011 VanDerWaalsContact O-N 3.09Å |
| 2008 | N | 88.6 | Confident | 88.2 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -22.3 | -177.6 | -49.5 | 78.3 | 0 | 0 | 0 | 112.8 | V2006 Y2012 K2126 A2129 | V2006-N2008 PolarHBondContact O-N 3.38Å; N2008-Y2012 WeakPolarHBondContact O-CB 3.49Å; N2008-Y2012 PolarHBondContact O-N 3.47Å; N2008-K2126 HydrophobicContact CB-CG 4.41Å; N2008-A2129 HydrophobicContact CB-CB 3.82Å |
| 2009 | S | 86.2 | Confident | 88.4 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | C2007 R2013 | C2007-S2009 PolarHBondContact O-N 2.96Å; S2009-R2013 WeakPolarHBondContact O-CG 3.44Å; S2009-R2013 PolarHBondContact O-N 3.27Å |
| 2010 | N | 91 | Very high | 88.7 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.3 | -50.1 | 172.5 | -172 | 49.9 | 0 | 0 | 0 | 110.1 | I2005 C2007 Y2012 R2013 L2014 | I2005-N2010 PolarHBondContact O-ND2 3.37Å; C2007-N2010 WeakPolarHBondContact O-CB 3.47Å; C2007-N2010 PolarHBondContact O-N 3.34Å; N2010-Y2012 VanDerWaalsContact C-N 3.31Å; N2010-Y2012 PolarHBondContact O-N 2.98Å; N2010-R2013 WeakPolarHBondContact O-CA 3.35Å; N2010-R2013 WeakPolarHBondContact O-CB 3.37Å; N2010-R2013 PolarHBondContact O-N 3.47Å; N2010-L2014 WeakPolarHBondContact O-CG 3.45Å; N2010-L2014 PolarHBondContact O-N 3.18Å |
| 2011 | L | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 179.3 | -60.7 | 178.5 | 0 | 0 | 0 | 112.7 | L1978 V2006 C2007 R2013 L2014 G2015 A2129 E2133 I2157 | L1978-L2011 HydrophobicContact CD2-CD1 3.8Å; L1978-L2011 HydrophobicContact CD2-CD2 4.09Å; V2006-L2011 WeakPolarHBondContact O-CD1 3.33Å; C2007-L2011 PolarHBondContact O-N 3.47Å; C2007-L2011 VanDerWaalsContact O-N 3.09Å; L2011-R2013 PolarHBondContact O-N 2.99Å; L2011-L2014 PolarHBondContact O-N 3.27Å; L2011-G2015 PolarHBondContact O-N 3.18Å; L2011-A2129 HydrophobicContact CB-CB 3.61Å; L2011-E2133 HydrophobicContact CD1-CG 4.11Å; L2011-E2133 WeakPolarHBondContact CD1-OE1 3.35Å; L2011-I2157 HydrophobicContact CD2-CD1 3.99Å |
| 2012 | Y | 91.3 | Very high | 88.9 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -47.2 | 169 | 166.1 | -99.5 | 0 | 0 | 0 | 112.2 | Q1139 Y1141 N2008 N2010 L2014 G2015 K2016 D2125 I2128 | Q1139-Y2012 PolarHBondContact NE2-OH 2.89Å; Q1139-Y2012 VanDerWaalsContact NE2-OH 3.11Å; Q1139-Y2012 PolarHBondContact OE1-OH 3.18Å; Y1141-Y2012 WeakPolarHBondContact OH-CE2 3.34Å; Y1141-Y2012 PolarHBondContact OH-OH 3.21Å; N2008-Y2012 WeakPolarHBondContact O-CB 3.49Å; N2008-Y2012 PolarHBondContact O-N 3.47Å; N2010-Y2012 VanDerWaalsContact C-N 3.31Å; N2010-Y2012 PolarHBondContact O-N 2.98Å; Y2012-L2014 PolarHBondContact O-N 3.24Å; Y2012-G2015 PolarHBondContact O-N 3.42Å; Y2012-K2016 HydrophobicContact CE1-CD 3.97Å; Y2012-K2016 HydrophobicContact CE2-CD 4.48Å; Y2012-K2016 WeakPolarHBondContact O-CB 3.25Å; Y2012-K2016 PolarHBondContact O-N 3.37Å; Y2012-K2016 PolarHBondContact OH-NZ 3.42Å; Y2012-D2125 HydrophobicContact CD2-CB 3.61Å; Y2012-D2125 WeakPolarHBondContact CD2-O 3Å; Y2012-D2125 HydrophobicContact CE2-CB 3.58Å; Y2012-D2125 VanDerWaalsContact CE2-CG 3.48Å; Y2012-D2125 WeakPolarHBondContact CE2-OD1 3.44Å; Y2012-D2125 HydrophobicContact CG-CB 4.21Å; Y2012-D2125 PolarHBondContact OH-OD1 2.93Å; Y2012-I2128 HydrophobicContact CD2-CB 4.07Å; Y2012-I2128 HydrophobicContact CD2-CD1 3.96Å; Y2012-I2128 HydrophobicContact CD2-CG2 4.24Å; Y2012-I2128 HydrophobicContact CE2-CD1 3.72Å |
| 2013 | R | 89.6 | Confident | 88.8 | Confident | 161 Ų | 161 | 50.3 Ų | 50.3 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 178.8 | -73.3 | 169.6 | 170.7 | -177 | -5.1 | 111.5 | S2009 N2010 L2011 K2016 A2017 | S2009-R2013 WeakPolarHBondContact O-CG 3.44Å; S2009-R2013 PolarHBondContact O-N 3.27Å; N2010-R2013 WeakPolarHBondContact O-CA 3.35Å; N2010-R2013 WeakPolarHBondContact O-CB 3.37Å; N2010-R2013 PolarHBondContact O-N 3.47Å; L2011-R2013 PolarHBondContact O-N 2.99Å; R2013-K2016 PolarHBondContact O-N 3.49Å; R2013-A2017 WeakPolarHBondContact O-CB 3.19Å; R2013-A2017 PolarHBondContact O-N 3.12Å |
| 2014 | L | 91.2 | Very high | 88.9 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.1 | -56.7 | -175.4 | 0 | 0 | 0 | 112 | N2010 L2011 Y2012 A2017 K2018 F2155 I2157 | N2010-L2014 WeakPolarHBondContact O-CG 3.45Å; N2010-L2014 PolarHBondContact O-N 3.18Å; L2011-L2014 PolarHBondContact O-N 3.27Å; Y2012-L2014 PolarHBondContact O-N 3.24Å; L2014-A2017 PolarHBondContact O-N 2.81Å; L2014-K2018 PolarHBondContact O-N 2.99Å; L2014-F2155 WeakPolarHBondContact CD2-O 3.41Å; L2014-I2157 HydrophobicContact CD1-CD1 3.91Å; L2014-I2157 HydrophobicContact CD1-CG1 3.66Å |
| 2015 | G | 89.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L2011 Y2012 A2017 K2018 D2019 L2020 | L2011-G2015 PolarHBondContact O-N 3.18Å; Y2012-G2015 PolarHBondContact O-N 3.42Å; G2015-A2017 PolarHBondContact O-N 3.17Å; G2015-K2018 PolarHBondContact O-N 2.87Å; G2015-K2018 VanDerWaalsContact O-N 3.08Å; G2015-D2019 PolarHBondContact O-N 2.75Å; G2015-L2020 PolarHBondContact O-N 3.44Å |
| 2016 | K | 87.1 | Confident | 88.4 | Confident | 83 Ų | 83 | 37.1 Ų | 37.1 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.4 | -169 | 173.7 | -169.5 | 168.9 | 0 | 112.1 | Y2012 R2013 K2018 D2019 Q2021 | Y2012-K2016 HydrophobicContact CE1-CD 3.97Å; Y2012-K2016 HydrophobicContact CE2-CD 4.48Å; Y2012-K2016 WeakPolarHBondContact O-CB 3.25Å; Y2012-K2016 PolarHBondContact O-N 3.37Å; Y2012-K2016 PolarHBondContact OH-NZ 3.42Å; R2013-K2016 PolarHBondContact O-N 3.49Å; K2016-K2018 PolarHBondContact O-N 3.31Å; K2016-D2019 PolarHBondContact O-N 3.4Å; K2016-Q2021 PolarHBondContact O-NE2 3Å |
| 2017 | A | 88.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 38 Ų | 38 | 69% | 0.686 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.6 | -15.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2013 L2014 G2015 | R2013-A2017 WeakPolarHBondContact O-CB 3.19Å; R2013-A2017 PolarHBondContact O-N 3.12Å; L2014-A2017 PolarHBondContact O-N 2.81Å; G2015-A2017 PolarHBondContact O-N 3.17Å |
| 2018 | K | 90 | Very high | 87.5 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 5.3 | 178.4 | -67.1 | -60.6 | -165.2 | 168.9 | 0 | 114.9 | R1574 E1578 L2014 G2015 K2016 L2020 W2154 F2155 | R1574-K2018 PolarHBondContact NH1-O 3.34Å; E1578-K2018 IonicContact OE2-NZ 3.49Å; L2014-K2018 PolarHBondContact O-N 2.99Å; G2015-K2018 PolarHBondContact O-N 2.87Å; G2015-K2018 VanDerWaalsContact O-N 3.08Å; K2016-K2018 PolarHBondContact O-N 3.31Å; K2018-L2020 HydrophobicContact CB-CG 4.44Å; K2018-W2154 HydrophobicContact CB-CH2 3.92Å; K2018-W2154 HydrophobicContact CB-CZ3 4.19Å; K2018-W2154 HydrophobicContact CD-CD2 4.35Å; K2018-W2154 HydrophobicContact CD-CE3 4.33Å; K2018-W2154 HydrophobicContact CD-CH2 3.66Å; K2018-W2154 HydrophobicContact CD-CZ2 3.64Å; K2018-W2154 HydrophobicContact CD-CZ3 4Å; K2018-W2154 WeakPolarHBondContact CE-O 3.12Å; K2018-W2154 HydrophobicContact CG-CE3 4.39Å; K2018-W2154 HydrophobicContact CG-CH2 3.84Å; K2018-W2154 HydrophobicContact CG-CZ2 4.35Å; K2018-W2154 HydrophobicContact CG-CZ3 3.85Å; K2018-W2154 VanDerWaalsContact NZ-NE1 3.14Å; K2018-W2154 PolarHBondContact NZ-O 2.87Å; K2018-F2155 HydrophobicContact CB-CE1 4.26Å; K2018-F2155 HydrophobicContact CG-CD1 3.88Å; K2018-F2155 HydrophobicContact CG-CE1 4.01Å |
| 2019 | D | 87.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 37.7 | 178.4 | -173.5 | 46.8 | 0 | 0 | 0 | 113.4 | K1144 G2015 K2016 N2022 | K1144-D2019 IonicContact NZ-OD2 2.74Å; K1144-D2019 PolarHBondContact NZ-OD2 2.88Å; G2015-D2019 PolarHBondContact O-N 2.75Å; K2016-D2019 PolarHBondContact O-N 3.4Å; D2019-N2022 PolarHBondContact OD1-ND2 2.7Å |
| 2020 | L | 89.5 | Confident | 87 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -76.5 | -39.1 | 176.7 | -65.6 | -175.6 | 0 | 0 | 0 | 112.9 | L1571 G2015 K2018 N2022 R2023 M2024 V2132 L2135 F2155 | L1571-L2020 HydrophobicContact CD1-CD2 4.17Å; L1571-L2020 HydrophobicContact CD2-CD2 3.95Å; G2015-L2020 PolarHBondContact O-N 3.44Å; K2018-L2020 HydrophobicContact CB-CG 4.44Å; L2020-N2022 PolarHBondContact O-N 2.84Å; L2020-N2022 VanDerWaalsContact O-N 3.11Å; L2020-R2023 WeakPolarHBondContact O-CA 3.43Å; L2020-R2023 PolarHBondContact O-N 3.21Å; L2020-M2024 WeakPolarHBondContact O-CG 3.36Å; L2020-M2024 PolarHBondContact O-N 2.66Å; L2020-V2132 HydrophobicContact CD1-CG2 3.68Å; L2020-L2135 HydrophobicContact CD1-CD1 3.91Å; L2020-L2135 HydrophobicContact CD2-CD1 3.92Å; L2020-F2155 HydrophobicContact CD1-CE1 3.98Å; L2020-F2155 HydrophobicContact CD1-CZ 4.17Å | ||
| 2021 | Q | 86.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.5 | -175.6 | 65.5 | -76.8 | 1.8 | 0 | 0 | 114.2 | Y1141 K2016 Q2121 I2128 | Y1141-Q2021 HydrophobicContact CD1-CB 3.9Å; Y1141-Q2021 HydrophobicContact CD1-CG 3.49Å; Y1141-Q2021 VanDerWaalsContact CD1-CG 3.49Å; Y1141-Q2021 HydrophobicContact CD2-CB 4.23Å; Y1141-Q2021 HydrophobicContact CE1-CB 4.06Å; Y1141-Q2021 HydrophobicContact CE1-CG 3.77Å; Y1141-Q2021 HydrophobicContact CE2-CB 4.38Å; Y1141-Q2021 HydrophobicContact CG-CB 3.97Å; Y1141-Q2021 HydrophobicContact CG-CG 4Å; K2016-Q2021 PolarHBondContact O-NE2 3Å; Q2021-Q2121 PolarHBondContact O-NE2 3.03Å; Q2021-I2128 HydrophobicContact CB-CD1 3.72Å; Q2021-I2128 HydrophobicContact CB-CG1 4.2Å |
| 2022 | N | 85.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8 | 178.9 | -59 | -32.8 | 0 | 0 | 0 | 112.7 | Y1142 K1144 D2019 L2020 | Y1142-N2022 WeakPolarHBondContact O-CA 3.38Å; Y1142-N2022 VanDerWaalsContact O-CB 3.3Å; Y1142-N2022 WeakPolarHBondContact O-CB 3.29Å; Y1142-N2022 PolarHBondContact O-OD1 3.41Å; K1144-N2022 HydrophobicContact CB-CB 4.14Å; K1144-N2022 VanDerWaalsContact CB-O 3.32Å; K1144-N2022 WeakPolarHBondContact CB-O 3.15Å; K1144-N2022 PolarHBondContact N-O 2.7Å; D2019-N2022 PolarHBondContact OD1-ND2 2.7Å; L2020-N2022 PolarHBondContact O-N 2.84Å; L2020-N2022 VanDerWaalsContact O-N 3.11Å |
| 2023 | R | 89.2 | Confident | 84.7 | Confident | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -20.3 | 179.8 | -64.4 | -179.2 | 178.4 | -85.4 | -7.7 | 114.3 | K1144 L1567 E1570 L1956 L2020 | K1144-R2023 HydrophobicContact CD-CG 4.25Å; L1567-R2023 PolarHBondContact O-NH1 3.5Å; E1570-R2023 IonicContact OE2-CZ 3.73Å; E1570-R2023 VanDerWaalsContact OE2-CZ 3.27Å; E1570-R2023 IonicContact OE2-NH1 3.79Å; E1570-R2023 PolarHBondContact OE2-NH1 2.79Å; E1570-R2023 IonicContact OE2-NH2 2.75Å; E1570-R2023 PolarHBondContact OE2-NH2 3.1Å; L1956-R2023 HydrophobicContact CD2-CB 4.44Å; L2020-R2023 WeakPolarHBondContact O-CA 3.43Å; L2020-R2023 PolarHBondContact O-N 3.21Å |
| 2024 | M | 89 | Confident | 84.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -67.9 | 157.9 | 178.8 | -74.8 | 178.1 | 68.5 | 0 | 0 | 113.1 | L1956 M1958 L2020 Q2121 I2123 S2127 I2128 C2131 | L1956-M2024 HydrophobicContact CD2-CG 4.19Å; L1956-M2024 WeakPolarHBondContact O-CA 3.41Å; M1958-M2024 HydrophobicContact CG-CE 3.67Å; M1958-M2024 HydrophobicContact SD-CE 3.74Å; L2020-M2024 WeakPolarHBondContact O-CG 3.36Å; L2020-M2024 PolarHBondContact O-N 2.66Å; M2024-Q2121 PolarHBondContact O-NE2 3.32Å; M2024-Q2121 PolarHBondContact O-OE1 3.45Å; M2024-I2123 HydrophobicContact CB-CD1 3.89Å; M2024-S2127 VanDerWaalsContact CE-O 3.27Å; M2024-S2127 WeakPolarHBondContact CE-O 3.44Å; M2024-I2128 HydrophobicContact SD-CB 4.44Å; M2024-I2128 HydrophobicContact SD-CG1 3.81Å; M2024-C2131 HydrophobicContact CE-CB 3.78Å; M2024-C2131 HydrophobicContact CG-CB 4.43Å; M2024-C2131 HydrophobicContact SD-CB 3.75Å |
| 2025 | I | 86.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -106.9 | 99 | 174.5 | -48.7 | -177 | 0 | 0 | 0 | 110 | Y1560 H1564 L1953 L1956 M1958 | Y1560-I2025 WeakPolarHBondContact OH-CG2 3.49Å; H1564-I2025 HydrophobicContact CB-CD1 4.04Å; H1564-I2025 WeakPolarHBondContact CD2-CD1 3.28Å; H1564-I2025 VanDerWaalsContact CD2-CG1 3.42Å; H1564-I2025 WeakPolarHBondContact CD2-CG1 3.39Å; L1953-I2025 HydrophobicContact CD1-CD1 3.92Å; L1956-I2025 PolarHBondContact O-N 2.71Å; M1958-I2025 VanDerWaalsContact CB-O 3.3Å; M1958-I2025 WeakPolarHBondContact CB-O 3.14Å; M1958-I2025 WeakPolarHBondContact CG-O 3.28Å; M1958-I2025 PolarHBondContact N-O 2.93Å; M1958-I2025 VanDerWaalsContact N-O 3.11Å |
| 2026 | G | 79.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | trans | -97.1 | -12.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | C1960 | C1960-G2026 PolarHBondContact SG-O 3.43Š| ||
| 2027 | C | 78.7 | Confident | 83.2 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -125.4 | 148 | -168.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 2028 | K | 80.4 | Confident | 83.1 | Confident | 77 Ų | 77 | 25.6 Ų | 25.6 | 34% | 0.335 | 13% | 0.127 | S | C | . | . | trans | -63.8 | 135.3 | 174.4 | -177.7 | -177.4 | 169.7 | -155.9 | 0 | 110.7 | S1961 E2030 | S1961-K2028 WeakPolarHBondContact O-CA 3.32Å; K2028-E2030 HydrophobicContact CD-CG 4.23Å; K2028-E2030 VanDerWaalsContact CD-OE1 3.22Å; K2028-E2030 WeakPolarHBondContact CD-OE1 3.35Å; K2028-E2030 WeakPolarHBondContact CE-OE1 3.19Å; K2028-E2030 HydrophobicContact CG-CG 4.1Å; K2028-E2030 IonicContact NZ-OE1 2.73Å; K2028-E2030 PolarHBondContact NZ-OE1 3.25Å; K2028-E2030 PolarHBondContact O-N 3Å; K2028-E2030 VanDerWaalsContact O-N 3.12Å | ||
| 2029 | F | 83.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | trans | -73.8 | 103.9 | 178 | 179 | -124 | 0 | 0 | 0 | 110.9 | N1476 L1478 P1556 Y1560 P2031 W2035 | N1476-F2029 HydrophobicContact CB-CD1 3.89Å; N1476-F2029 HydrophobicContact CB-CE1 4.48Å; N1476-F2029 WeakPolarHBondContact CB-O 3.45Å; N1476-F2029 PolarHBondContact ND2-O 3.3Å; L1478-F2029 HydrophobicContact CD1-CD1 4.04Å; P1556-F2029 HydrophobicContact CB-CZ 4.3Å; P1556-F2029 WeakPolarHBondContact O-CZ 3.47Å; Y1560-F2029 HydrophobicContact CD1-CB 4.33Å; Y1560-F2029 HydrophobicContact CD1-CD1 4.32Å; Y1560-F2029 AromaticContact CD1-CD2 3.87Å; Y1560-F2029 HydrophobicContact CD1-CD2 3.87Å; Y1560-F2029 HydrophobicContact CD1-CE2 4.19Å; Y1560-F2029 AromaticContact CD1-CG 3.92Å; Y1560-F2029 HydrophobicContact CD1-CG 3.92Å; Y1560-F2029 AromaticContact CD2-CD2 3.32Å; Y1560-F2029 HydrophobicContact CD2-CD2 3.32Å; Y1560-F2029 AromaticContact CD2-CE2 3.34Å; Y1560-F2029 HydrophobicContact CD2-CE2 3.34Å; Y1560-F2029 HydrophobicContact CD2-CG 4.2Å; Y1560-F2029 HydrophobicContact CD2-CZ 4.24Å; Y1560-F2029 HydrophobicContact CE1-CB 3.89Å; Y1560-F2029 AromaticContact CE1-CD2 3.99Å; Y1560-F2029 HydrophobicContact CE1-CD2 3.99Å; Y1560-F2029 AromaticContact CE1-CG 3.96Å; Y1560-F2029 HydrophobicContact CE1-CG 3.96Å; Y1560-F2029 HydrophobicContact CE2-CB 4.47Å; Y1560-F2029 AromaticContact CE2-CD2 3.44Å; Y1560-F2029 HydrophobicContact CE2-CD2 3.44Å; Y1560-F2029 VanDerWaalsContact CE2-CD2 3.44Å; Y1560-F2029 AromaticContact CE2-CE2 3.96Å; Y1560-F2029 HydrophobicContact CE2-CE2 3.96Å; Y1560-F2029 HydrophobicContact CE2-CG 4.22Å; Y1560-F2029 HydrophobicContact CG-CD1 4.44Å; Y1560-F2029 AromaticContact CG-CD2 3.51Å; Y1560-F2029 HydrophobicContact CG-CD2 3.51Å; Y1560-F2029 HydrophobicContact CG-CE1 4.4Å; Y1560-F2029 AromaticContact CG-CE2 3.45Å; Y1560-F2029 HydrophobicContact CG-CE2 3.45Å; Y1560-F2029 VanDerWaalsContact CG-CE2 3.45Å; Y1560-F2029 HydrophobicContact CG-CG 4.02Å; Y1560-F2029 AromaticContact CG-CZ 3.91Å; Y1560-F2029 HydrophobicContact CG-CZ 3.91Å; Y1560-F2029 AromaticContact CZ-CD2 3.77Å; F2029-P2031 HydrophobicContact CD1-CG 4.48Å; F2029-P2031 HydrophobicContact CE1-CG 3.85Å; F2029-P2031 HydrophobicContact CE2-CG 4.06Å; F2029-P2031 HydrophobicContact CZ-CB 4.4Å; F2029-P2031 HydrophobicContact CZ-CG 3.63Å; F2029-W2035 HydrophobicContact CE2-CB 3.94Å; F2029-W2035 HydrophobicContact CE2-CD2 4.19Å; F2029-W2035 AromaticContact CE2-CG 3.84Å; F2029-W2035 HydrophobicContact CE2-CG 3.84Å | ||
| 2030 | E | 79.7 | Confident | 82.5 | Confident | 65 Ų | 65 | 22.6 Ų | 22.6 | 30% | 0.304 | 11% | 0.112 | S | C | . | . | trans | -127.1 | 102.8 | 174.8 | -59.9 | -142.9 | -160.9 | 0 | 0 | 108.4 | K2028 H2032 E2033 N2034 | K2028-E2030 HydrophobicContact CD-CG 4.23Å; K2028-E2030 VanDerWaalsContact CD-OE1 3.22Å; K2028-E2030 WeakPolarHBondContact CD-OE1 3.35Å; K2028-E2030 WeakPolarHBondContact CE-OE1 3.19Å; K2028-E2030 HydrophobicContact CG-CG 4.1Å; K2028-E2030 IonicContact NZ-OE1 2.73Å; K2028-E2030 PolarHBondContact NZ-OE1 3.25Å; K2028-E2030 PolarHBondContact O-N 3Å; K2028-E2030 VanDerWaalsContact O-N 3.12Å; E2030-H2032 VanDerWaalsContact C-N 3.3Å; E2030-H2032 PolarHBondContact O-N 3.18Å; E2030-E2033 PolarHBondContact O-N 3.39Å; E2030-E2033 VanDerWaalsContact O-N 3.16Å; E2030-N2034 PolarHBondContact O-N 3.13Å | ||
| 2031 | P | 77.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.5 | -163.3 | -30.2 | 37.6 | 0 | 0 | 0 | 116.3 | F1269 L1475 P1556 F2029 W2035 | F1269-P2031 HydrophobicContact CE1-CB 3.67Å; F1269-P2031 WeakPolarHBondContact CE1-O 3.32Å; F1269-P2031 HydrophobicContact CZ-CB 3.89Å; L1475-P2031 HydrophobicContact CB-CG 3.82Å; L1475-P2031 HydrophobicContact CD1-CB 4.42Å; P1556-P2031 HydrophobicContact CB-CB 4.49Å; P1556-P2031 HydrophobicContact CB-CG 4.4Å; F2029-P2031 HydrophobicContact CD1-CG 4.48Å; F2029-P2031 HydrophobicContact CE1-CG 3.85Å; F2029-P2031 HydrophobicContact CE2-CG 4.06Å; F2029-P2031 HydrophobicContact CZ-CB 4.4Å; F2029-P2031 HydrophobicContact CZ-CG 3.63Å; P2031-W2035 HydrophobicContact CB-CE3 4.33Å |
| 2032 | H | 76.1 | Confident | 81.4 | Confident | 71 Ų | 71 | 23.7 Ų | 23.7 | 33% | 0.329 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.9 | -178.8 | -62.3 | -68.5 | 0 | 0 | 0 | 113.3 | F1269 L1475 E2030 | F1269-H2032 AromaticContact CD1-ND1 3.65Å; F1269-H2032 AromaticContact CE1-CE1 3.98Å; F1269-H2032 AromaticContact CE1-ND1 3.79Å; L1475-H2032 WeakPolarHBondContact CD1-NE2 3.15Å; E2030-H2032 VanDerWaalsContact C-N 3.3Å; E2030-H2032 PolarHBondContact O-N 3.18Å |
| 2033 | E | 73.8 | Confident | 80.5 | Confident | 93 Ų | 93 | 26.9 Ų | 26.9 | 44% | 0.435 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -45 | -178.1 | -61 | -172.5 | 169.6 | 0 | 0 | 112.5 | E2030 | E2030-E2033 PolarHBondContact O-N 3.39Å; E2030-E2033 VanDerWaalsContact O-N 3.16Å |
| 2034 | N | 75.9 | Confident | 78.9 | Confident | 24 Ų | 24 | 30.6 Ų | 30.6 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -125.7 | 25.5 | -156.3 | -59.5 | -46.5 | 0 | 0 | 0 | 113.2 | R1143 E2030 I2117 | R1143-N2034 PolarHBondContact NH1-O 2.88Å; E2030-N2034 PolarHBondContact O-N 3.13Å; N2034-I2117 VanDerWaalsContact OD1-CG2 3.25Å; N2034-I2117 WeakPolarHBondContact OD1-CG2 3.48Å |
| 2035 | W | 82.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | trans | -149.1 | 155 | 178.9 | -174.8 | 59.2 | 0 | 0 | 0 | 111.8 | F1263 F1269 P1556 L1559 Y1560 E1563 F2029 P2031 P2037 T2118 | F1263-W2035 HydrophobicContact CE1-CH2 4.36Å; F1263-W2035 HydrophobicContact CE1-CZ3 4.49Å; F1269-W2035 HydrophobicContact CE1-CE3 4.39Å; F1269-W2035 HydrophobicContact CE2-CZ3 4.39Å; F1269-W2035 HydrophobicContact CZ-CE3 4.26Å; F1269-W2035 AromaticContact CZ-CZ3 3.98Å; F1269-W2035 HydrophobicContact CZ-CZ3 3.98Å; P1556-W2035 HydrophobicContact CB-CE3 4.32Å; P1556-W2035 HydrophobicContact CB-CH2 4.14Å; P1556-W2035 HydrophobicContact CB-CZ3 3.75Å; P1556-W2035 HydrophobicContact CG-CZ3 4.29Å; L1559-W2035 HydrophobicContact CB-CH2 4.27Å; L1559-W2035 HydrophobicContact CB-CZ2 3.79Å; L1559-W2035 HydrophobicContact CD1-CH2 4Å; L1559-W2035 HydrophobicContact CD1-CZ2 4.18Å; Y1560-W2035 AromaticContact CD2-CD1 3.72Å; Y1560-W2035 HydrophobicContact CD2-CG 4.42Å; E1563-W2035 PolarHBondContact OE2-NE1 3.25Å; F2029-W2035 HydrophobicContact CE2-CB 3.94Å; F2029-W2035 HydrophobicContact CE2-CD2 4.19Å; F2029-W2035 AromaticContact CE2-CG 3.84Å; F2029-W2035 HydrophobicContact CE2-CG 3.84Å; P2031-W2035 HydrophobicContact CB-CE3 4.33Å; W2035-P2037 HydrophobicContact CE3-CG 4.13Å; W2035-P2037 HydrophobicContact CH2-CB 4.17Å; W2035-P2037 HydrophobicContact CZ3-CB 3.93Å; W2035-P2037 HydrophobicContact CZ3-CG 3.89Å; W2035-T2118 VanDerWaalsContact O-CG2 3.28Å; W2035-T2118 WeakPolarHBondContact O-CG2 3.42Å | ||
| 2036 | I | 82.8 | Confident | 75.2 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | trans | -118.7 | 117.6 | 176.6 | -61.2 | -175.6 | 0 | 0 | 0 | 108.7 | L1275 Y1283 V2042 T2118 I2119 | L1275-I2036 HydrophobicContact CD2-CG1 4.38Å; Y1283-I2036 HydrophobicContact CD2-CD1 3.81Å; Y1283-I2036 HydrophobicContact CD2-CG2 4.37Å; Y1283-I2036 HydrophobicContact CE2-CD1 3.78Å; I2036-V2042 HydrophobicContact CD1-CG2 3.82Å; I2036-T2118 HydrophobicContact CD1-CG2 4.37Å; I2036-T2118 HydrophobicContact CG1-CG2 3.68Å; I2036-I2119 HydrophobicContact CD1-CG2 3.47Å; I2036-I2119 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 2037 | P | 83.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -67 | 153.2 | 175.1 | -16.4 | 29.2 | 0 | 0 | 0 | 112.3 | F1263 F1269 W2035 Y2040 | F1263-P2037 HydrophobicContact CD1-CB 3.59Å; F1263-P2037 HydrophobicContact CD1-CG 4.25Å; F1263-P2037 HydrophobicContact CE1-CB 3.77Å; F1263-P2037 HydrophobicContact CG-CB 4.28Å; F1269-P2037 HydrophobicContact CB-CG 4.17Å; F1269-P2037 HydrophobicContact CD1-CG 3.97Å; F1269-P2037 HydrophobicContact CD2-CG 3.96Å; F1269-P2037 HydrophobicContact CE1-CG 4.35Å; F1269-P2037 HydrophobicContact CE2-CG 4.3Å; F1269-P2037 HydrophobicContact CG-CG 3.76Å; F1269-P2037 HydrophobicContact CZ-CG 4.5Å; W2035-P2037 HydrophobicContact CE3-CG 4.13Å; W2035-P2037 HydrophobicContact CH2-CB 4.17Å; W2035-P2037 HydrophobicContact CZ3-CB 3.93Å; W2035-P2037 HydrophobicContact CZ3-CG 3.89Å; P2037-Y2040 HydrophobicContact CB-CD2 3.86Å; P2037-Y2040 HydrophobicContact CB-CE2 4.46Å; P2037-Y2040 HydrophobicContact CG-CD2 4.31Å; P2037-Y2040 WeakPolarHBondContact O-CB 3.48Å; P2037-Y2040 PolarHBondContact O-N 3.33Å | ||
| 2038 | P | 85.9 | Confident | 72 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 145.7 | 174.4 | -23.4 | 33.6 | 0 | 0 | 0 | 112.4 | H1259 L1284 V1286 L1559 Y2040 | H1259-P2038 WeakPolarHBondContact NE2-CB 3.45Å; L1284-P2038 HydrophobicContact CB-CB 4.39Å; L1284-P2038 WeakPolarHBondContact O-CA 3.45Å; V1286-P2038 WeakPolarHBondContact O-CB 3.4Å; L1559-P2038 HydrophobicContact CD1-CG 3.78Å; P2038-Y2040 WeakPolarHBondContact O-CD2 3.25Å; P2038-Y2040 PolarHBondContact O-N 3.2Å |
| 2039 | G | 82 | Confident | 70.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -7.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1277 N1278 A1282 L1284 | F1277-G2039 WeakPolarHBondContact CD2-O 3.12Å; N1278-G2039 CarbonylContact C-O 3.34Å; N1278-G2039 VanDerWaalsContact C-O 3.29Å; N1278-G2039 PolarHBondContact N-O 3.47Å; A1282-G2039 VanDerWaalsContact CB-C 3.41Å; A1282-G2039 VanDerWaalsContact CB-CA 3.46Å; L1284-G2039 PolarHBondContact O-N 3.06Å |
| 2040 | Y | 84.5 | Confident | 68.4 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 151.9 | 174.2 | -72.6 | -95.6 | 0 | 0 | 0 | 112.6 | F1263 E1270 L1275 E1276 F1277 A1282 P2037 P2038 | F1263-Y2040 HydrophobicContact CB-CE2 3.7Å; F1263-Y2040 HydrophobicContact CG-CE2 4.34Å; E1270-Y2040 HydrophobicContact CB-CE1 4.45Å; E1270-Y2040 HydrophobicContact CG-CE1 4.12Å; E1270-Y2040 VanDerWaalsContact OE1-CE1 3.26Å; E1270-Y2040 WeakPolarHBondContact OE1-CE1 3.31Å; E1270-Y2040 PolarHBondContact OE1-OH 2.93Å; L1275-Y2040 HydrophobicContact CB-CD1 4.26Å; E1276-Y2040 WeakPolarHBondContact O-CA 3.48Å; F1277-Y2040 HydrophobicContact CB-CD1 4.16Å; F1277-Y2040 HydrophobicContact CB-CE1 3.7Å; F1277-Y2040 AromaticContact CD2-CD2 3.95Å; F1277-Y2040 HydrophobicContact CD2-CD2 3.95Å; F1277-Y2040 HydrophobicContact CD2-CE1 4.21Å; F1277-Y2040 AromaticContact CD2-CE2 3.61Å; F1277-Y2040 HydrophobicContact CD2-CE2 3.61Å; F1277-Y2040 HydrophobicContact CD2-CG 4.38Å; F1277-Y2040 AromaticContact CD2-CZ 3.73Å; F1277-Y2040 HydrophobicContact CE2-CE2 4.3Å; F1277-Y2040 HydrophobicContact CG-CE1 4.45Å; A1282-Y2040 WeakPolarHBondContact CA-O 3.3Å; A1282-Y2040 WeakPolarHBondContact CB-O 3.34Å; P2037-Y2040 HydrophobicContact CB-CD2 3.86Å; P2037-Y2040 HydrophobicContact CB-CE2 4.46Å; P2037-Y2040 HydrophobicContact CG-CD2 4.31Å; P2037-Y2040 WeakPolarHBondContact O-CB 3.48Å; P2037-Y2040 PolarHBondContact O-N 3.33Å; P2038-Y2040 WeakPolarHBondContact O-CD2 3.25Å; P2038-Y2040 PolarHBondContact O-N 3.2Å |
| 2041 | Y | 80 | Confident | 66.6 | Low | 36 Ų | 36 | 55.7 Ų | 55.7 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.6 | 169.9 | 84 | -66.5 | 0 | 0 | 0 | 110.3 | E1276 N1278 K1281 | E1276-Y2041 HydrophobicContact CB-CD1 4.25Å; E1276-Y2041 HydrophobicContact CB-CE1 3.74Å; E1276-Y2041 HydrophobicContact CG-CE1 3.99Å; E1276-Y2041 PolarHBondContact N-O 2.73Å; E1276-Y2041 WeakPolarHBondContact O-CD1 3.45Å; E1276-Y2041 PolarHBondContact O-N 2.76Å; E1276-Y2041 WeakPolarHBondContact OE2-CE1 2.99Å; E1276-Y2041 PolarHBondContact OE2-OH 2.81Å; N1278-Y2041 HydrophobicContact CB-CD1 3.63Å; N1278-Y2041 HydrophobicContact CB-CE1 3.49Å; N1278-Y2041 VanDerWaalsContact CB-CE1 3.49Å; K1281-Y2041 HydrophobicContact CB-CD1 4.18Å; K1281-Y2041 HydrophobicContact CB-CD2 3.99Å; K1281-Y2041 HydrophobicContact CB-CE2 4.34Å; K1281-Y2041 HydrophobicContact CB-CG 3.9Å; K1281-Y2041 HydrophobicContact CD-CD2 4.29Å; K1281-Y2041 HydrophobicContact CD-CE2 3.83Å; K1281-Y2041 VanDerWaalsContact O-CB 3.24Å; K1281-Y2041 WeakPolarHBondContact O-CB 3.3Å |
| 2042 | V | 73.5 | Confident | 65.1 | Low | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.7 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | V1274 L1275 Y1283 I2036 L2116 I2119 | V1274-V2042 HydrophobicContact CG1-CG1 4.15Å; L1275-V2042 HydrophobicContact CD2-CG2 4.13Å; Y1283-V2042 HydrophobicContact CE2-CG2 4.43Å; I2036-V2042 HydrophobicContact CD1-CG2 3.82Å; V2042-L2116 HydrophobicContact CG1-CD1 3.57Å; V2042-L2116 HydrophobicContact CG1-CD2 3.47Å; V2042-L2116 VanDerWaalsContact CG1-CD2 3.47Å; V2042-L2116 HydrophobicContact CG1-CG 4.14Å; V2042-I2119 HydrophobicContact CG2-CG2 4.37Å |
| 2043 | R | 65.9 | Low | 63.8 | Low | 102 Ų | 102 | 59.3 Ų | 59.3 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | trans | -79.2 | 131.1 | -175.3 | -177.7 | 174.6 | 161.9 | 138.1 | -15.3 | 112.3 | V1274 E1276 D2045 | V1274-R2043 PolarHBondContact O-N 3.45Å; E1276-R2043 HydrophobicContact CB-CB 4.27Å; E1276-R2043 IonicContact OE1-CZ 2.69Å; E1276-R2043 IonicContact OE1-NE 3.48Å; E1276-R2043 IonicContact OE1-NH1 3.49Å; E1276-R2043 PolarHBondContact OE1-NH1 2.89Å; R2043-D2045 IonicContact CZ-OD1 3.73Å; R2043-D2045 IonicContact NE-OD1 3.71Å; R2043-D2045 PolarHBondContact NE-OD1 2.85Å; R2043-D2045 IonicContact NH2-OD1 3.62Å; R2043-D2045 PolarHBondContact NH2-OD1 2.89Å; R2043-D2045 PolarHBondContact O-N 3Å | ||
| 2044 | Q | 57 | Low | 62.3 | Low | 94 Ų | 94 | 62.1 Ų | 62.1 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | trans | -89.1 | 84.1 | 171.5 | -70.6 | -175.7 | -23.2 | 0 | 0 | 110.5 | K2046 | Q2044-K2046 PolarHBondContact O-N 2.82Å; Q2044-K2046 VanDerWaalsContact O-N 3.17Å | ||
| 2045 | D | 51.2 | Low | 60.6 | Low | 46 Ų | 46 | 67.4 Ų | 67.4 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | trans | -81.3 | 99.8 | -174.7 | -151 | 70.6 | 0 | 0 | 0 | 112.1 | R2043 R2047 L2048 | R2043-D2045 IonicContact CZ-OD1 3.73Å; R2043-D2045 IonicContact NE-OD1 3.71Å; R2043-D2045 PolarHBondContact NE-OD1 2.85Å; R2043-D2045 IonicContact NH2-OD1 3.62Å; R2043-D2045 PolarHBondContact NH2-OD1 2.89Å; R2043-D2045 PolarHBondContact O-N 3Å; D2045-R2047 PolarHBondContact O-N 2.82Å; D2045-L2048 PolarHBondContact O-N 2.93Å | ||
| 2046 | K | 46.5 | Very low | 58.6 | Low | 142 Ų | 142 | 74 Ų | 74 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.2 | -13.2 | -177.6 | -65.4 | -176.3 | 178.2 | -179.1 | 0 | 114.1 | Q2044 N2050 E2091 | Q2044-K2046 PolarHBondContact O-N 2.82Å; Q2044-K2046 VanDerWaalsContact O-N 3.17Å; K2046-N2050 PolarHBondContact O-ND2 3.42Å; K2046-E2091 IonicContact NZ-OE1 3.67Å; K2046-E2091 PolarHBondContact NZ-OE1 3.07Å |
| 2047 | R | 44.3 | Very low | 56.4 | Low | 195 Ų | 195 | 80.6 Ų | 80.6 | 74% | 0.736 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -77.4 | -39.6 | 172.7 | -71 | -177.2 | 172.6 | 178.1 | -2.8 | 113.1 | D2045 N2049 N2050 E2051 | D2045-R2047 PolarHBondContact O-N 2.82Å; R2047-N2049 VanDerWaalsContact C-N 3.3Å; R2047-N2049 PolarHBondContact O-N 2.89Å; R2047-N2050 PolarHBondContact O-N 3.05Å; R2047-N2050 VanDerWaalsContact O-N 3.14Å; R2047-E2051 PolarHBondContact O-N 2.91Å |
| 2048 | L | 45.2 | Very low | 54.2 | Low | 96 Ų | 96 | 84.5 Ų | 84.5 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 179.3 | -129.2 | 77.6 | 0 | 0 | 0 | 110.4 | D2045 N2050 E2051 I2052 | D2045-L2048 PolarHBondContact O-N 2.93Å; L2048-N2050 PolarHBondContact O-N 3.16Å; L2048-E2051 PolarHBondContact O-N 3.12Å; L2048-I2052 HydrophobicContact CD2-CD1 4.46Å; L2048-I2052 HydrophobicContact CG-CD1 4.35Å; L2048-I2052 VanDerWaalsContact O-CB 3.31Å; L2048-I2052 WeakPolarHBondContact O-CB 3.35Å; L2048-I2052 WeakPolarHBondContact O-CD1 3.25Å; L2048-I2052 WeakPolarHBondContact O-CG1 3.5Å; L2048-I2052 PolarHBondContact O-N 3.41Å |
| 2049 | N | 45.2 | Very low | 51.5 | Low | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.134 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 177.3 | -66 | -10.5 | 0 | 0 | 0 | 112.3 | R2047 I2052 I2053 N2112 | R2047-N2049 VanDerWaalsContact C-N 3.3Å; R2047-N2049 PolarHBondContact O-N 2.89Å; N2049-I2052 PolarHBondContact O-N 3.06Å; N2049-I2053 WeakPolarHBondContact O-CB 3.41Å; N2049-I2053 WeakPolarHBondContact O-CD1 3.46Å; N2049-I2053 WeakPolarHBondContact O-CG1 3.46Å; N2049-I2053 PolarHBondContact O-N 2.84Å; N2049-N2112 PolarHBondContact ND2-O 2.77Å; N2049-N2112 PolarHBondContact ND2-OD1 3.03Å; N2049-N2112 PolarHBondContact OD1-O 2.98Å |
| 2050 | N | 42.9 | Very low | 49.1 | Very low | 101 Ų | 101 | 98.8 Ų | 98.8 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 178 | -73.9 | -11 | 0 | 0 | 0 | 113.2 | K2046 R2047 L2048 K2054 | K2046-N2050 PolarHBondContact O-ND2 3.42Å; R2047-N2050 PolarHBondContact O-N 3.05Å; R2047-N2050 VanDerWaalsContact O-N 3.14Å; L2048-N2050 PolarHBondContact O-N 3.16Å; N2050-K2054 WeakPolarHBondContact O-CB 3.35Å; N2050-K2054 WeakPolarHBondContact O-CG 3.47Å; N2050-K2054 PolarHBondContact O-N 3.47Å; N2050-K2054 VanDerWaalsContact O-N 3.12Å |
| 2051 | E | 42.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 106.4 Ų | 106.4 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.3 | -36.7 | 172.3 | -76.2 | -169 | -162.4 | 0 | 0 | 112.7 | R2047 L2048 K2054 K2055 | R2047-E2051 PolarHBondContact O-N 2.91Å; L2048-E2051 PolarHBondContact O-N 3.12Å; E2051-K2054 PolarHBondContact O-N 3.16Å; E2051-K2055 WeakPolarHBondContact O-CB 3.34Å; E2051-K2055 WeakPolarHBondContact O-CG 3.37Å; E2051-K2055 PolarHBondContact O-N 3.09Å |
| 2052 | I | 46.1 | Very low | 43.8 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 31% | 0.313 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174 | -71 | 165.9 | 0 | 0 | 0 | 109.6 | L2048 N2049 K2054 K2055 F2056 | L2048-I2052 HydrophobicContact CD2-CD1 4.46Å; L2048-I2052 HydrophobicContact CG-CD1 4.35Å; L2048-I2052 VanDerWaalsContact O-CB 3.31Å; L2048-I2052 WeakPolarHBondContact O-CB 3.35Å; L2048-I2052 WeakPolarHBondContact O-CD1 3.25Å; L2048-I2052 WeakPolarHBondContact O-CG1 3.5Å; L2048-I2052 PolarHBondContact O-N 3.41Å; N2049-I2052 PolarHBondContact O-N 3.06Å; I2052-K2054 PolarHBondContact O-N 3.37Å; I2052-K2055 CarbonylContact O-C 3.29Å; I2052-K2055 PolarHBondContact O-N 2.83Å; I2052-F2056 HydrophobicContact CG2-CD2 3.72Å; I2052-F2056 HydrophobicContact CG2-CE2 3.9Å; I2052-F2056 WeakPolarHBondContact O-CB 3.34Å; I2052-F2056 WeakPolarHBondContact O-CD2 3.39Å; I2052-F2056 PolarHBondContact O-N 3.21Å |
| 2053 | I | 47.9 | Very low | 41.6 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 48% | 0.482 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57 | -48.8 | 175.1 | -71.5 | 163.4 | 0 | 0 | 0 | 110.6 | N2049 K2055 F2056 E2057 | N2049-I2053 WeakPolarHBondContact O-CB 3.41Å; N2049-I2053 WeakPolarHBondContact O-CD1 3.46Å; N2049-I2053 WeakPolarHBondContact O-CG1 3.46Å; N2049-I2053 PolarHBondContact O-N 2.84Å; I2053-K2055 VanDerWaalsContact C-N 3.34Å; I2053-K2055 PolarHBondContact O-N 3.16Å; I2053-F2056 PolarHBondContact O-N 2.96Å; I2053-F2056 VanDerWaalsContact O-N 3.13Å; I2053-E2057 PolarHBondContact O-N 2.71Å |
| 2054 | K | 44 | Very low | 39.7 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -35.5 | 176.8 | -78.2 | -175.5 | 171.1 | -167.7 | 0 | 113.9 | N2050 E2051 I2052 S2058 | N2050-K2054 WeakPolarHBondContact O-CB 3.35Å; N2050-K2054 WeakPolarHBondContact O-CG 3.47Å; N2050-K2054 PolarHBondContact O-N 3.47Å; N2050-K2054 VanDerWaalsContact O-N 3.12Å; E2051-K2054 PolarHBondContact O-N 3.16Å; I2052-K2054 PolarHBondContact O-N 3.37Å; K2054-S2058 PolarHBondContact O-N 2.9Å; K2054-S2058 PolarHBondContact O-OG 3Å |
| 2055 | K | 40.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.6 | -28.9 | 174.2 | -79.5 | 176.2 | 173.6 | 166.9 | 0 | 112.9 | E2051 I2052 I2053 S2058 N2059 | E2051-K2055 WeakPolarHBondContact O-CB 3.34Å; E2051-K2055 WeakPolarHBondContact O-CG 3.37Å; E2051-K2055 PolarHBondContact O-N 3.09Å; I2052-K2055 CarbonylContact O-C 3.29Å; I2052-K2055 PolarHBondContact O-N 2.83Å; I2053-K2055 VanDerWaalsContact C-N 3.34Å; I2053-K2055 PolarHBondContact O-N 3.16Å; K2055-S2058 WeakPolarHBondContact CA-OG 3.34Å; K2055-S2058 PolarHBondContact O-OG 3.08Å; K2055-N2059 PolarHBondContact O-N 3.2Å |
| 2056 | F | 39.7 | Very low | 37 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 64% | 0.64 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.3 | -36.8 | 173.4 | -97.9 | -86.7 | 0 | 0 | 0 | 112.7 | I2052 I2053 S2058 | I2052-F2056 HydrophobicContact CG2-CD2 3.72Å; I2052-F2056 HydrophobicContact CG2-CE2 3.9Å; I2052-F2056 WeakPolarHBondContact O-CB 3.34Å; I2052-F2056 WeakPolarHBondContact O-CD2 3.39Å; I2052-F2056 PolarHBondContact O-N 3.21Å; I2053-F2056 PolarHBondContact O-N 2.96Å; I2053-F2056 VanDerWaalsContact O-N 3.13Å; F2056-S2058 PolarHBondContact O-N 3.37Å |
| 2057 | E | 37.3 | Very low | 36 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.9 | -28.4 | 175.3 | -72.1 | -174.5 | 131.8 | 0 | 0 | 112.8 | I2053 | I2053-E2057 PolarHBondContact O-N 2.71Å |
| 2058 | S | 35.9 | Very low | 35 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 57% | 0.573 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -4.9 | -176.3 | 46.4 | 0 | 0 | 0 | 0 | 115.4 | K2054 K2055 F2056 | K2054-S2058 PolarHBondContact O-N 2.9Å; K2054-S2058 PolarHBondContact O-OG 3Å; K2055-S2058 WeakPolarHBondContact CA-OG 3.34Å; K2055-S2058 PolarHBondContact O-OG 3.08Å; F2056-S2058 PolarHBondContact O-N 3.37Å |
| 2059 | N | 30.7 | Very low | 34.2 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | trans | -130.8 | 63.4 | -179.5 | -94.5 | -72.2 | 0 | 0 | 0 | 113.4 | K2055 N2061 | K2055-N2059 PolarHBondContact O-N 3.2Å; N2059-N2061 PolarHBondContact O-N 3.35Å | ||
| 2060 | R | 30.5 | Very low | 33.4 | Very low | 205 Ų | 205 | 128 Ų | 128 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -11.3 | 177.6 | -71.4 | -172.4 | 175.3 | -172.2 | -1.8 | 115.2 | ||
| 2061 | N | 28.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 130 Ų | 130 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 6.8 | -177.2 | -71.3 | -7.6 | 0 | 0 | 0 | 114.8 | N2059 | N2059-N2061 PolarHBondContact O-N 3.35Š|
| 2062 | L | 26.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | trans | -101.7 | 31.7 | 177.3 | -136.3 | 80.4 | 0 | 0 | 0 | 114.2 | I2064 | L2062-I2064 PolarHBondContact O-N 3.17Š| ||
| 2063 | V | 26.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 56% | 0.564 | 67% | 0.665 | S | S | * | * | trans | -80.7 | 58.9 | -177.8 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2064 | I | 26.3 | Very low | 30.6 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -139.4 | 84.4 | 169.5 | -52.6 | 179.7 | 0 | 0 | 0 | 108.8 | L2062 | L2062-I2064 PolarHBondContact O-N 3.17Š|
| 2065 | W | 25.9 | Very low | 30.1 | Very low | 231 Ų | 231 | 131.3 Ų | 131.3 | 88% | 0.875 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 160.9 | 30.7 | 154.4 | -81.7 | 3.2 | 0 | 0 | 0 | 114.1 | ||
| 2066 | S | 24.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -137 | 11.8 | -177.1 | 56.7 | 0 | 0 | 0 | 0 | 116.4 | ||
| 2067 | T | 24.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -129.1 | 42.1 | -170.4 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2068 | D | 24.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | trans | -133.9 | 14.2 | -176.1 | -153.8 | 28.9 | 0 | 0 | 0 | 114.5 | R1137 L2070 | R1137-D2068 IonicContact CZ-OD1 2.77Å; R1137-D2068 IonicContact CZ-OD2 2.72Å; R1137-D2068 IonicContact NE-OD2 2.85Å; R1137-D2068 IonicContact NH2-OD1 3.96Å; R1137-D2068 PolarHBondContact NH2-OD1 2.65Å; R1137-D2068 IonicContact NH2-OD2 3.17Å; R1137-D2068 PolarHBondContact NH2-OD2 2.83Å; D2068-L2070 PolarHBondContact O-N 3.21Å | ||
| 2069 | T | 28.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | -95.6 | 67.4 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | M2071 | T2069-M2071 PolarHBondContact O-N 3.35Š| ||
| 2070 | L | 27.9 | Very low | 28.7 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -66.4 | 102.1 | 159.3 | -83.1 | 167.5 | 0 | 0 | 0 | 108.4 | D2068 | D2068-L2070 PolarHBondContact O-N 3.21Š| ||
| 2071 | M | 29.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 153.6 | 157.1 | -59.1 | -167.8 | 74.4 | 0 | 0 | 108.5 | T2069 D2073 | T2069-M2071 PolarHBondContact O-N 3.35Å; M2071-D2073 PolarHBondContact O-N 2.73Å; M2071-D2073 VanDerWaalsContact O-N 3.17Å | ||
| 2072 | D | 28.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | trans | -61.8 | 119.5 | 177 | -60.9 | -70.9 | 0 | 0 | 0 | 110.4 | E2074 V2075 | D2072-E2074 PolarHBondContact O-N 2.97Å; D2072-V2075 PolarHBondContact O-N 3.2Å; D2072-V2075 VanDerWaalsContact O-N 3.11Å | ||
| 2073 | D | 30.1 | Very low | 28.8 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | 8.7 | -179.9 | -73.5 | -48.3 | 0 | 0 | 0 | 114.4 | M2071 R2077 | M2071-D2073 PolarHBondContact O-N 2.73Å; M2071-D2073 VanDerWaalsContact O-N 3.17Å; D2073-R2077 VanDerWaalsContact CB-NH2 3.33Å; D2073-R2077 VanDerWaalsContact O-CZ 3.27Å; D2073-R2077 PolarHBondContact O-NE 2.73Å; D2073-R2077 PolarHBondContact O-NH2 3.06Å |
| 2074 | E | 31.5 | Very low | 29 | Very low | 149 Ų | 149 | 134 Ų | 134 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -24.2 | 178.2 | -161.1 | 161.8 | -128.2 | 0 | 0 | 111.6 | D2072 N2078 | D2072-E2074 PolarHBondContact O-N 2.97Å; E2074-N2078 PolarHBondContact O-ND2 3.47Å |
| 2075 | V | 34.4 | Very low | 29.4 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -42.6 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | D2072 R2077 N2078 | D2072-V2075 PolarHBondContact O-N 3.2Å; D2072-V2075 VanDerWaalsContact O-N 3.11Å; V2075-R2077 VanDerWaalsContact C-N 3.27Å; V2075-R2077 PolarHBondContact O-N 3.48Å; V2075-N2078 PolarHBondContact O-N 2.83Å |
| 2076 | L | 32 | Very low | 29.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -65.6 | -26.7 | -179.9 | -81.4 | 164.1 | 0 | 0 | 0 | 113.5 | N2078 | L2076-N2078 VanDerWaalsContact C-N 3.29Å; L2076-N2078 PolarHBondContact O-N 3.07Å |
| 2077 | R | 31.8 | Very low | 30 | Very low | 178 Ų | 178 | 134 Ų | 134 | 67% | 0.672 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -81 | -0.4 | 176.1 | -85.9 | -179.9 | -75.1 | -155.6 | -4.6 | 115 | D2073 V2075 | D2073-R2077 VanDerWaalsContact CB-NH2 3.33Å; D2073-R2077 VanDerWaalsContact O-CZ 3.27Å; D2073-R2077 PolarHBondContact O-NE 2.73Å; D2073-R2077 PolarHBondContact O-NH2 3.06Å; V2075-R2077 VanDerWaalsContact C-N 3.27Å; V2075-R2077 PolarHBondContact O-N 3.48Å |
| 2078 | N | 32.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -110 | 18 | 177.4 | -76.9 | -66.6 | 0 | 0 | 0 | 113 | E2074 V2075 L2076 | E2074-N2078 PolarHBondContact O-ND2 3.47Å; V2075-N2078 PolarHBondContact O-N 2.83Å; L2076-N2078 VanDerWaalsContact C-N 3.29Å; L2076-N2078 PolarHBondContact O-N 3.07Å |
| 2079 | I | 31.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | trans | -125.3 | 35.1 | 177.9 | -36.7 | -177.1 | 0 | 0 | 0 | 111.7 | F2081 I2082 | I2079-F2081 PolarHBondContact O-N 3.26Å; I2079-I2082 HydrophobicContact CG2-CD1 4.05Å; I2079-I2082 HydrophobicContact CG2-CG1 4.29Å | ||
| 2080 | D | 25.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | -71.3 | 57.8 | 170 | -83.8 | -14.4 | 0 | 0 | 0 | 111.9 | ||||
| 2081 | F | 29.1 | Very low | 31.2 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 91% | 0.908 | 67% | 0.674 | S | S | * | * | trans | -164.9 | 47.1 | 166.1 | -101.3 | -55 | 0 | 0 | 0 | 114.8 | I2079 | I2079-F2081 PolarHBondContact O-N 3.26Š| ||
| 2082 | I | 29 | Very low | 31.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 68% | 0.677 | 68% | 0.679 | S | S | * | * | trans | -122.6 | 108.5 | 164.5 | -57 | -177.4 | 0 | 0 | 0 | 110.5 | I2079 E2084 | I2079-I2082 HydrophobicContact CG2-CD1 4.05Å; I2079-I2082 HydrophobicContact CG2-CG1 4.29Å; I2082-E2084 PolarHBondContact O-N 2.87Å | ||
| 2083 | D | 30 | Very low | 32.1 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 46% | 0.46 | 67% | 0.673 | S | S | . | * | trans | -69 | 117.8 | 174.3 | 171 | 13.3 | 0 | 0 | 0 | 110.8 | N2085 K2086 | D2083-N2085 PolarHBondContact O-N 2.94Å; D2083-N2085 WeakPolarHBondContact OD1-CB 3.39Å; D2083-N2085 PolarHBondContact OD1-N 2.95Å; D2083-N2085 VanDerWaalsContact OD1-N 3.15Å; D2083-N2085 PolarHBondContact OD1-ND2 3.39Å; D2083-K2086 PolarHBondContact O-N 2.65Å | ||
| 2084 | E | 30.6 | Very low | 32.7 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -56.2 | -24.4 | -176.4 | -61.8 | -173.3 | 127.4 | 0 | 0 | 113.2 | I2082 K2086 | I2082-E2084 PolarHBondContact O-N 2.87Å; E2084-K2086 PolarHBondContact O-N 3.29Å |
| 2085 | N | 34 | Very low | 33.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -70.5 | 3.1 | -179 | -62.1 | -82.1 | 0 | 0 | 0 | 114.5 | D2083 | D2083-N2085 PolarHBondContact O-N 2.94Å; D2083-N2085 WeakPolarHBondContact OD1-CB 3.39Å; D2083-N2085 PolarHBondContact OD1-N 2.95Å; D2083-N2085 VanDerWaalsContact OD1-N 3.15Å; D2083-N2085 PolarHBondContact OD1-ND2 3.39Å |
| 2086 | K | 32.4 | Very low | 33.9 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -105.7 | -1.5 | -179.1 | -79.8 | 178.5 | 178.3 | 168.3 | 0 | 116.2 | D2083 E2084 K2088 | D2083-K2086 PolarHBondContact O-N 2.65Å; E2084-K2086 PolarHBondContact O-N 3.29Å; K2086-K2088 VanDerWaalsContact C-N 3.29Å; K2086-K2088 PolarHBondContact O-N 2.67Å |
| 2087 | I | 30.6 | Very low | 34.7 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -77.9 | 79.3 | 175.7 | -50.7 | -178.8 | 0 | 0 | 0 | 110.5 | ||||
| 2088 | K | 27.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 73% | 0.726 | 66% | 0.664 | S | S | * | * | trans | -85.5 | 146.2 | 159.1 | -72.7 | -174.3 | 177.1 | -178.7 | 0 | 109.4 | K2086 I2090 | K2086-K2088 VanDerWaalsContact C-N 3.29Å; K2086-K2088 PolarHBondContact O-N 2.67Å; K2088-I2090 WeakPolarHBondContact O-CG1 3.18Å; K2088-I2090 PolarHBondContact O-N 3.48Å | ||
| 2089 | P | 32 | Very low | 37.2 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | trans | -61.7 | 119.8 | 173.3 | 26.2 | -33.7 | 0 | 0 | 0 | 109.7 | E2091 | P2089-E2091 VanDerWaalsContact C-N 3.25Å; P2089-E2091 PolarHBondContact O-N 2.77Å | ||
| 2090 | I | 36.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 59% | 0.585 | 63% | 0.625 | S | S | * | * | trans | -84.1 | 68.7 | -173.4 | -43.7 | 178.1 | 0 | 0 | 0 | 110.2 | K2088 N2092 F2093 | K2088-I2090 WeakPolarHBondContact O-CG1 3.18Å; K2088-I2090 PolarHBondContact O-N 3.48Å; I2090-N2092 PolarHBondContact O-N 3.3Å; I2090-F2093 HydrophobicContact CD1-CE2 4.27Å; I2090-F2093 HydrophobicContact CG2-CD2 3.51Å; I2090-F2093 HydrophobicContact CG2-CE2 3.79Å; I2090-F2093 HydrophobicContact CG2-CG 4.41Å | ||
| 2091 | E | 36.4 | Very low | 40.6 | Very low | 138 Ų | 138 | 118.3 Ų | 118.3 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | trans | -79.9 | 3.5 | 169.8 | -66.3 | -168.2 | 150.6 | 0 | 0 | 112.5 | K2046 P2089 | K2046-E2091 IonicContact NZ-OE1 3.67Å; K2046-E2091 PolarHBondContact NZ-OE1 3.07Å; P2089-E2091 VanDerWaalsContact C-N 3.25Å; P2089-E2091 PolarHBondContact O-N 2.77Å | ||
| 2092 | N | 36.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 111 Ų | 111 | 81% | 0.807 | 57% | 0.567 | S | S | * | * | trans | -136.1 | 82.4 | 176.9 | -73.3 | -68.3 | 0 | 0 | 0 | 112.4 | I2090 | I2090-N2092 PolarHBondContact O-N 3.3Š| ||
| 2093 | F | 41.3 | Very low | 43.8 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | trans | -88.3 | 137.5 | 151.9 | -103.6 | -82.1 | 0 | 0 | 0 | 108.6 | I2090 I2095 | I2090-F2093 HydrophobicContact CD1-CE2 4.27Å; I2090-F2093 HydrophobicContact CG2-CD2 3.51Å; I2090-F2093 HydrophobicContact CG2-CE2 3.79Å; I2090-F2093 HydrophobicContact CG2-CG 4.41Å; F2093-I2095 PolarHBondContact O-N 3.07Å | ||
| 2094 | P | 42.3 | Very low | 45.1 | Very low | 70 Ų | 70 | 112.6 Ų | 112.6 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | trans | -65.1 | 131.2 | 169.1 | 28.5 | -33.7 | 0 | 0 | 0 | 109.8 | S2096 E2097 | P2094-S2096 PolarHBondContact O-N 3.29Å; P2094-E2097 PolarHBondContact O-N 2.86Å | ||
| 2095 | I | 46.3 | Very low | 46.4 | Very low | 144 Ų | 144 | 105.2 Ų | 105.2 | 74% | 0.738 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -59.6 | -19.4 | -173.2 | -62.5 | 169.4 | 0 | 0 | 0 | 112.5 | F2093 E2097 | F2093-I2095 PolarHBondContact O-N 3.07Å; I2095-E2097 VanDerWaalsContact C-N 3.35Å; I2095-E2097 PolarHBondContact O-N 2.98Å |
| 2096 | S | 44.6 | Very low | 47.5 | Very low | 108 Ų | 108 | 99.5 Ų | 99.5 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -71.4 | -15.3 | 179.2 | 52.6 | 0 | 0 | 0 | 0 | 116.1 | P2094 | P2094-S2096 PolarHBondContact O-N 3.29Š|
| 2097 | E | 48.6 | Very low | 48.4 | Very low | 146 Ų | 146 | 97.9 Ų | 97.9 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -118.5 | 20.6 | -176.4 | -66.9 | -171.1 | 140.9 | 0 | 0 | 113.5 | P2094 I2095 D2099 | P2094-E2097 PolarHBondContact O-N 2.86Å; I2095-E2097 VanDerWaalsContact C-N 3.35Å; I2095-E2097 PolarHBondContact O-N 2.98Å; E2097-D2099 PolarHBondContact O-N 3.33Å |
| 2098 | W | 55.9 | Low | 49.4 | Very low | 53 Ų | 53 | 93.2 Ų | 93.2 | 20% | 0.201 | 49% | 0.49 | C | S | . | . | trans | -81.4 | 95.8 | 179.2 | -166 | 79.1 | 0 | 0 | 0 | 111.8 | N1151 K1281 A1282 P2100 | N1151-W2098 PolarHBondContact ND2-O 2.86Å; K1281-W2098 WeakPolarHBondContact O-CH2 3.45Å; K1281-W2098 WeakPolarHBondContact O-CZ2 3.23Å; A1282-W2098 VanDerWaalsContact O-CZ3 3.3Å; A1282-W2098 WeakPolarHBondContact O-CZ3 3.4Å; W2098-P2100 HydrophobicContact CH2-CB 3.9Å; W2098-P2100 HydrophobicContact CZ3-CB 3.94Å; W2098-P2100 HydrophobicContact CZ3-CG 4.05Å | ||
| 2099 | D | 61.3 | Low | 50.5 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | trans | -95.9 | 116.3 | 166.2 | -172.4 | -14.2 | 0 | 0 | 0 | 110 | E2097 N2101 D2102 | E2097-D2099 PolarHBondContact O-N 3.33Å; D2099-N2101 PolarHBondContact O-N 3.49Å; D2099-N2101 VanDerWaalsContact O-N 3.15Å; D2099-N2101 WeakPolarHBondContact OD1-CB 3.25Å; D2099-N2101 PolarHBondContact OD1-N 3.48Å; D2099-D2102 HydrophobicContact CB-CB 4.39Å; D2099-D2102 PolarHBondContact O-N 2.91Å | ||
| 2100 | P | 62 | Low | 51 | Low | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.006 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14 | 176.5 | 24.2 | -32.5 | 0 | 0 | 0 | 114.4 | Y1283 W2098 | Y1283-P2100 HydrophobicContact CD1-CB 3.8Å; W2098-P2100 HydrophobicContact CH2-CB 3.9Å; W2098-P2100 HydrophobicContact CZ3-CB 3.94Å; W2098-P2100 HydrophobicContact CZ3-CG 4.05Å |
| 2101 | N | 66.1 | Low | 51.5 | Low | 27 Ų | 27 | 86.8 Ų | 86.8 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.7 | 178.2 | -67.9 | -68.8 | 0 | 0 | 0 | 114.2 | K1144 F1145 D2099 P2103 | K1144-N2101 WeakPolarHBondContact CG-OD1 3.23Å; F1145-N2101 PolarHBondContact N-OD1 3.49Å; F1145-N2101 PolarHBondContact O-ND2 3.2Å; F1145-N2101 PolarHBondContact O-OD1 2.99Å; D2099-N2101 PolarHBondContact O-N 3.49Å; D2099-N2101 VanDerWaalsContact O-N 3.15Å; D2099-N2101 WeakPolarHBondContact OD1-CB 3.25Å; D2099-N2101 PolarHBondContact OD1-N 3.48Å; N2101-P2103 WeakPolarHBondContact O-CD 3.45Å |
| 2102 | D | 67.4 | Low | 51.8 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | trans | -68 | 123 | 175.6 | -177.2 | -16.7 | 0 | 0 | 0 | 109.6 | D2099 K2104 V2105 L2106 | D2099-D2102 HydrophobicContact CB-CB 4.39Å; D2099-D2102 PolarHBondContact O-N 2.91Å; D2102-K2104 PolarHBondContact O-N 2.84Å; D2102-K2104 VanDerWaalsContact O-N 3.11Å; D2102-K2104 WeakPolarHBondContact OD1-CB 3.28Å; D2102-K2104 WeakPolarHBondContact OD1-CG 3.49Å; D2102-K2104 PolarHBondContact OD1-N 2.86Å; D2102-V2105 HydrophobicContact CB-CB 4.37Å; D2102-V2105 HydrophobicContact CB-CG2 4.01Å; D2102-V2105 PolarHBondContact O-N 3.35Å; D2102-L2106 PolarHBondContact O-N 3.34Å; D2102-L2106 VanDerWaalsContact O-N 3.13Å | ||
| 2103 | P | 58.4 | Low | 52.2 | Low | 95 Ų | 95 | 78 Ų | 78 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -54.9 | -28.8 | 176.1 | 22.8 | -34.6 | 0 | 0 | 0 | 113.4 | N2101 H2107 | N2101-P2103 WeakPolarHBondContact O-CD 3.45Å; P2103-H2107 WeakPolarHBondContact O-CB 3.03Å; P2103-H2107 PolarHBondContact O-N 2.84Å |
| 2104 | K | 56.7 | Low | 52.3 | Low | 156 Ų | 156 | 79 Ų | 79 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 174.5 | -64.6 | 171.1 | -177.4 | 166.9 | 0 | 112.3 | D2102 A2108 | D2102-K2104 PolarHBondContact O-N 2.84Å; D2102-K2104 VanDerWaalsContact O-N 3.11Å; D2102-K2104 WeakPolarHBondContact OD1-CB 3.28Å; D2102-K2104 WeakPolarHBondContact OD1-CG 3.49Å; D2102-K2104 PolarHBondContact OD1-N 2.86Å; K2104-A2108 WeakPolarHBondContact O-CB 3.42Å; K2104-A2108 PolarHBondContact O-N 3.36Å |
| 2105 | V | 58.6 | Low | 52.5 | Low | 19 Ų | 19 | 84.6 Ų | 84.6 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | D2102 H2107 A2108 Q2109 | D2102-V2105 HydrophobicContact CB-CB 4.37Å; D2102-V2105 HydrophobicContact CB-CG2 4.01Å; D2102-V2105 PolarHBondContact O-N 3.35Å; V2105-H2107 PolarHBondContact O-N 2.99Å; V2105-A2108 PolarHBondContact O-N 3.16Å; V2105-Q2109 WeakPolarHBondContact O-CG 3.5Å; V2105-Q2109 PolarHBondContact O-N 2.92Å |
| 2106 | L | 56.5 | Low | 52.9 | Low | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 175 | -69.5 | 167.5 | 0 | 0 | 0 | 112 | Y1142 D2102 H2110 | Y1142-L2106 HydrophobicContact CD1-CD2 4.27Å; Y1142-L2106 HydrophobicContact CD2-CD1 4.46Å; Y1142-L2106 HydrophobicContact CG-CD1 4.3Å; Y1142-L2106 HydrophobicContact CG-CD2 4.44Å; D2102-L2106 PolarHBondContact O-N 3.34Å; D2102-L2106 VanDerWaalsContact O-N 3.13Å; L2106-H2110 PolarHBondContact O-N 2.7Å |
| 2107 | H | 52.8 | Low | 53.5 | Low | 131 Ų | 131 | 79.3 Ų | 79.3 | 61% | 0.606 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -75.4 | -34.7 | -177.5 | -148.2 | 32.7 | 0 | 0 | 0 | 112.9 | P2103 V2105 Q2109 H2110 | P2103-H2107 WeakPolarHBondContact O-CB 3.03Å; P2103-H2107 PolarHBondContact O-N 2.84Å; V2105-H2107 PolarHBondContact O-N 2.99Å; H2107-Q2109 VanDerWaalsContact C-N 3.29Å; H2107-Q2109 PolarHBondContact O-N 3.05Å; H2107-H2110 WeakPolarHBondContact O-CB 3.35Å; H2107-H2110 PolarHBondContact O-N 2.86Å |
| 2108 | A | 51 | Low | 54.2 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -29.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K2104 V2105 H2110 | K2104-A2108 WeakPolarHBondContact O-CB 3.42Å; K2104-A2108 PolarHBondContact O-N 3.36Å; V2105-A2108 PolarHBondContact O-N 3.16Å; A2108-H2110 VanDerWaalsContact C-N 3.3Å |
| 2109 | Q | 49.5 | Very low | 54.8 | Low | 43 Ų | 43 | 71.3 Ų | 71.3 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.7 | -23.9 | 170.1 | -65.4 | -173.9 | 19.8 | 0 | 0 | 112.7 | Y1283 V2105 H2107 N2112 | Y1283-Q2109 PolarHBondContact OH-OE1 3.25Å; V2105-Q2109 WeakPolarHBondContact O-CG 3.5Å; V2105-Q2109 PolarHBondContact O-N 2.92Å; H2107-Q2109 VanDerWaalsContact C-N 3.29Å; H2107-Q2109 PolarHBondContact O-N 3.05Å; Q2109-N2112 PolarHBondContact O-N 3.09Å |
| 2110 | H | 43.8 | Very low | 55.2 | Low | 55 Ų | 55 | 69.1 Ų | 69.1 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -79.6 | -25.5 | -169.5 | -135.7 | 52.2 | 0 | 0 | 0 | 114.6 | Y1142 L2106 H2107 A2108 N2112 Q2120 | Y1142-H2110 PolarHBondContact OH-CD2 3.41Å; Y1142-H2110 VanDerWaalsContact OH-CD2 3.23Å; Y1142-H2110 PolarHBondContact OH-CE1 3.12Å; Y1142-H2110 VanDerWaalsContact OH-CG 3.24Å; Y1142-H2110 PolarHBondContact OH-ND1 3.48Å; Y1142-H2110 PolarHBondContact OH-NE2 2.82Å; L2106-H2110 PolarHBondContact O-N 2.7Å; H2107-H2110 WeakPolarHBondContact O-CB 3.35Å; H2107-H2110 PolarHBondContact O-N 2.86Å; A2108-H2110 VanDerWaalsContact C-N 3.3Å; H2110-N2112 PolarHBondContact O-N 2.87Å; H2110-Q2120 PolarHBondContact CE1-NE2 3.22Å; H2110-Q2120 PolarHBondContact NE2-NE2 3.12Å |
| 2111 | L | 45.5 | Very low | 55.9 | Low | 160 Ų | 160 | 69.1 Ų | 69.1 | 84% | 0.838 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7 | 170.7 | -84.1 | 163.1 | 0 | 0 | 0 | 114 | ||
| 2112 | N | 43.5 | Very low | 56.5 | Low | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 11.3 | -172.1 | -98 | -46.7 | 0 | 0 | 0 | 114.6 | N2049 Q2109 H2110 | N2049-N2112 PolarHBondContact ND2-O 2.77Å; N2049-N2112 PolarHBondContact ND2-OD1 3.03Å; N2049-N2112 PolarHBondContact OD1-O 2.98Å; Q2109-N2112 PolarHBondContact O-N 3.09Å; H2110-N2112 PolarHBondContact O-N 2.87Å |
| 2113 | N | 43.8 | Very low | 57.1 | Low | 20 Ų | 20 | 66.4 Ų | 66.4 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | trans | -167.5 | 111.1 | 172 | -100.7 | -28.2 | 0 | 0 | 0 | 111.4 | L2116 | N2113-L2116 HydrophobicContact CB-CD1 3.76Å; N2113-L2116 HydrophobicContact CB-CG 4.46Å | ||
| 2114 | Q | 43 | Very low | 58.2 | Low | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -90.9 | -3.5 | -175.6 | -96.6 | -177 | -15.1 | 0 | 0 | 116.1 | ||
| 2115 | Y | 47.4 | Very low | 59.4 | Low | 187 Ų | 187 | 57.6 Ų | 57.6 | 73% | 0.733 | 29% | 0.294 | S | S | * | . | trans | -135.1 | 67.4 | -169.2 | -62.9 | -75.6 | 0 | 0 | 0 | 113.2 | ||||
| 2116 | L | 55 | Low | 60.7 | Low | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | trans | -122.9 | 78.8 | -178.6 | -76.2 | 169.8 | 0 | 0 | 0 | 113 | V1274 V2042 N2113 T2118 I2119 Q2120 | V1274-L2116 HydrophobicContact CG1-CD2 3.75Å; V2042-L2116 HydrophobicContact CG1-CD1 3.57Å; V2042-L2116 HydrophobicContact CG1-CD2 3.47Å; V2042-L2116 VanDerWaalsContact CG1-CD2 3.47Å; V2042-L2116 HydrophobicContact CG1-CG 4.14Å; N2113-L2116 HydrophobicContact CB-CD1 3.76Å; N2113-L2116 HydrophobicContact CB-CG 4.46Å; L2116-T2118 PolarHBondContact O-N 3.04Å; L2116-T2118 VanDerWaalsContact O-N 3.14Å; L2116-I2119 HydrophobicContact CB-CD1 4.36Å; L2116-I2119 HydrophobicContact CB-CG1 4.05Å; L2116-I2119 PolarHBondContact O-N 3.22Å; L2116-Q2120 PolarHBondContact O-N 3Å | ||
| 2117 | I | 57.4 | Low | 62.3 | Low | 122 Ų | 122 | 61.3 Ų | 61.3 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.8 | 176.9 | -47.1 | 178.7 | 0 | 0 | 0 | 111.6 | N2034 I2119 Q2120 | N2034-I2117 VanDerWaalsContact OD1-CG2 3.25Å; N2034-I2117 WeakPolarHBondContact OD1-CG2 3.48Å; I2117-I2119 VanDerWaalsContact C-N 3.28Å; I2117-I2119 PolarHBondContact O-N 3.36Å; I2117-Q2120 VanDerWaalsContact O-O 3.1Å |
| 2118 | T | 61.6 | Low | 64.1 | Low | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.8 | -177.2 | -23 | 0 | 0 | 0 | 0 | 114.5 | W2035 I2036 L2116 | W2035-T2118 VanDerWaalsContact O-CG2 3.28Å; W2035-T2118 WeakPolarHBondContact O-CG2 3.42Å; I2036-T2118 HydrophobicContact CD1-CG2 4.37Å; I2036-T2118 HydrophobicContact CG1-CG2 3.68Å; L2116-T2118 PolarHBondContact O-N 3.04Å; L2116-T2118 VanDerWaalsContact O-N 3.14Å |
| 2119 | I | 69 | Low | 66 | Low | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -13.7 | 179.5 | 56.9 | 172.6 | 0 | 0 | 0 | 114.3 | R1143 Y1283 I2036 V2042 L2116 I2117 | R1143-I2119 PolarHBondContact N-O 3.38Å; R1143-I2119 VanDerWaalsContact N-O 3.1Å; Y1283-I2119 HydrophobicContact CE2-CG2 4.41Å; I2036-I2119 HydrophobicContact CD1-CG2 3.47Å; I2036-I2119 VanDerWaalsContact CD1-CG2 3.47Å; V2042-I2119 HydrophobicContact CG2-CG2 4.37Å; L2116-I2119 HydrophobicContact CB-CD1 4.36Å; L2116-I2119 HydrophobicContact CB-CG1 4.05Å; L2116-I2119 PolarHBondContact O-N 3.22Å; I2117-I2119 VanDerWaalsContact C-N 3.28Å; I2117-I2119 PolarHBondContact O-N 3.36Å |
| 2120 | Q | 70.2 | Confident | 68.1 | Low | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.9 | -178.1 | -68.5 | -174.3 | -50 | 0 | 0 | 111.9 | Y1140 Y1141 Y1142 H2110 L2116 I2117 | Y1140-Q2120 HydrophobicContact CD1-CB 4.35Å; Y1141-Q2120 WeakPolarHBondContact O-CA 3.44Å; Y1142-Q2120 HydrophobicContact CD1-CG 4.03Å; Y1142-Q2120 HydrophobicContact CE1-CG 4.05Å; H2110-Q2120 PolarHBondContact CE1-NE2 3.22Å; H2110-Q2120 PolarHBondContact NE2-NE2 3.12Å; L2116-Q2120 PolarHBondContact O-N 3Å; I2117-Q2120 VanDerWaalsContact O-O 3.1Å |
| 2121 | Q | 76.4 | Confident | 70.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.9 | 172.8 | 60 | -177.2 | 7.1 | 0 | 0 | 111.9 | Y1141 R1143 Q2021 M2024 I2123 | Y1141-Q2121 PolarHBondContact N-O 3.14Å; Y1141-Q2121 PolarHBondContact O-N 3.34Å; R1143-Q2121 HydrophobicContact CG-CG 4.11Å; R1143-Q2121 VanDerWaalsContact NE-OE1 3.15Å; Q2021-Q2121 PolarHBondContact O-NE2 3.03Å; M2024-Q2121 PolarHBondContact O-NE2 3.32Å; M2024-Q2121 PolarHBondContact O-OE1 3.45Å; Q2121-I2123 HydrophobicContact CG-CD1 4.06Å; Q2121-I2123 HydrophobicContact CG-CG1 4.24Å; Q2121-I2123 PolarHBondContact O-N 3.05Å |
| 2122 | A | 78 | Confident | 72.7 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 84 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1138 Y1140 | R1138-A2122 HydrophobicContact CB-CB 4.16Å; Y1140-A2122 HydrophobicContact CD1-CB 4.06Å; Y1140-A2122 HydrophobicContact CE1-CB 3.84Å |
| 2123 | I | 81.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.2 | -173.6 | -62.1 | 178.9 | 0 | 0 | 0 | 110.4 | Q1139 Y1141 M1958 M2024 Q2121 I2128 | Q1139-I2123 PolarHBondContact N-O 3.45Å; Q1139-I2123 PolarHBondContact O-N 3.27Å; Q1139-I2123 VanDerWaalsContact O-N 3.11Å; Y1141-I2123 HydrophobicContact CD2-CB 3.89Å; Y1141-I2123 HydrophobicContact CD2-CG1 4.46Å; Y1141-I2123 HydrophobicContact CE2-CB 4.03Å; M1958-I2123 HydrophobicContact SD-CG1 4.42Å; M1958-I2123 HydrophobicContact SD-CG2 4.12Å; M2024-I2123 HydrophobicContact CB-CD1 3.89Å; Q2121-I2123 HydrophobicContact CG-CD1 4.06Å; Q2121-I2123 HydrophobicContact CG-CG1 4.24Å; Q2121-I2123 PolarHBondContact O-N 3.05Å; I2123-I2128 HydrophobicContact CG2-CD1 4.13Å; I2123-I2128 HydrophobicContact CG2-CG1 4Å |
| 2124 | P | 81.3 | Confident | 77.6 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 139.4 | 170.3 | -5.4 | 22.9 | 0 | 0 | 0 | 110.9 | M1958 K2126 S2127 | M1958-P2124 HydrophobicContact CE-CG 4.48Å; P2124-K2126 PolarHBondContact O-N 3.08Å; P2124-K2126 VanDerWaalsContact O-N 3.12Å; P2124-S2127 WeakPolarHBondContact O-CB 3.49Å; P2124-S2127 PolarHBondContact O-N 2.89Å |
| 2125 | D | 81.1 | Confident | 80 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 23% | 0.225 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58 | -30.8 | -177.5 | -61.3 | -32.1 | 0 | 0 | 0 | 114.1 | Q1139 Y1141 Y2012 S2127 I2128 | Q1139-D2125 VanDerWaalsContact CD-OD1 3.31Å; Q1139-D2125 PolarHBondContact NE2-OD1 3.15Å; Q1139-D2125 PolarHBondContact NE2-OD2 3.43Å; Y1141-D2125 PolarHBondContact OH-OD1 3.14Å; Y2012-D2125 HydrophobicContact CD2-CB 3.61Å; Y2012-D2125 WeakPolarHBondContact CD2-O 3Å; Y2012-D2125 HydrophobicContact CE2-CB 3.58Å; Y2012-D2125 VanDerWaalsContact CE2-CG 3.48Å; Y2012-D2125 WeakPolarHBondContact CE2-OD1 3.44Å; Y2012-D2125 HydrophobicContact CG-CB 4.21Å; Y2012-D2125 PolarHBondContact OH-OD1 2.93Å; D2125-S2127 VanDerWaalsContact C-N 3.31Å; D2125-S2127 PolarHBondContact O-N 2.88Å; D2125-I2128 PolarHBondContact O-N 3.14Å |
| 2126 | K | 86.2 | Confident | 82.1 | Confident | 105 Ų | 105 | 20.6 Ų | 20.6 | 46% | 0.457 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 172.7 | -164.6 | -144.8 | 173 | -109.1 | 0 | 111 | E1971 N2008 P2124 I2128 A2129 D2130 | E1971-K2126 IonicContact OE1-NZ 2.99Å; E1971-K2126 PolarHBondContact OE1-NZ 2.81Å; N2008-K2126 HydrophobicContact CB-CG 4.41Å; P2124-K2126 PolarHBondContact O-N 3.08Å; P2124-K2126 VanDerWaalsContact O-N 3.12Å; K2126-I2128 PolarHBondContact O-N 3.27Å; K2126-I2128 VanDerWaalsContact O-N 3.12Å; K2126-A2129 WeakPolarHBondContact O-CA 3.4Å; K2126-A2129 VanDerWaalsContact O-CB 3.27Å; K2126-A2129 WeakPolarHBondContact O-CB 3.38Å; K2126-A2129 PolarHBondContact O-N 3.09Å; K2126-D2130 WeakPolarHBondContact CD-OD1 3.45Å; K2126-D2130 WeakPolarHBondContact CD-OD2 3.01Å; K2126-D2130 WeakPolarHBondContact CE-OD1 3.39Å; K2126-D2130 WeakPolarHBondContact CG-OD1 3.34Å; K2126-D2130 IonicContact NZ-OD1 3.92Å; K2126-D2130 PolarHBondContact NZ-OD1 3.47Å; K2126-D2130 IonicContact NZ-OD2 3.73Å; K2126-D2130 PolarHBondContact NZ-OD2 2.87Å; K2126-D2130 PolarHBondContact O-N 3.23Å |
| 2127 | S | 89.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 19.7 Ų | 19.7 | 12% | 0.119 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.5 | -20.6 | -171.6 | -56.6 | 0 | 0 | 0 | 0 | 114.2 | M1958 M2024 P2124 D2125 D2130 C2131 | M1958-S2127 WeakPolarHBondContact CE-OG 3.44Å; M2024-S2127 VanDerWaalsContact CE-O 3.27Å; M2024-S2127 WeakPolarHBondContact CE-O 3.44Å; P2124-S2127 WeakPolarHBondContact O-CB 3.49Å; P2124-S2127 PolarHBondContact O-N 2.89Å; D2125-S2127 VanDerWaalsContact C-N 3.31Å; D2125-S2127 PolarHBondContact O-N 2.88Å; S2127-D2130 WeakPolarHBondContact CA-OD2 3.46Å; S2127-C2131 VanDerWaalsContact O-CB 3.3Å; S2127-C2131 WeakPolarHBondContact O-CB 3.26Å; S2127-C2131 PolarHBondContact O-N 2.91Å |
| 2128 | I | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -74 | -34.3 | 171 | -66.7 | 155.5 | 0 | 0 | 0 | 110.8 | Y1141 Y2012 Q2021 M2024 I2123 D2125 K2126 V2132 | Y1141-I2128 HydrophobicContact CE2-CD1 3.93Å; Y2012-I2128 HydrophobicContact CD2-CB 4.07Å; Y2012-I2128 HydrophobicContact CD2-CD1 3.96Å; Y2012-I2128 HydrophobicContact CD2-CG2 4.24Å; Y2012-I2128 HydrophobicContact CE2-CD1 3.72Å; Q2021-I2128 HydrophobicContact CB-CD1 3.72Å; Q2021-I2128 HydrophobicContact CB-CG1 4.2Å; M2024-I2128 HydrophobicContact SD-CB 4.44Å; M2024-I2128 HydrophobicContact SD-CG1 3.81Å; I2123-I2128 HydrophobicContact CG2-CD1 4.13Å; I2123-I2128 HydrophobicContact CG2-CG1 4Å; D2125-I2128 PolarHBondContact O-N 3.14Å; K2126-I2128 PolarHBondContact O-N 3.27Å; K2126-I2128 VanDerWaalsContact O-N 3.12Å; I2128-V2132 WeakPolarHBondContact O-CG2 3.34Å; I2128-V2132 PolarHBondContact O-N 3.29Å |
| 2129 | A | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.1 | -45.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N2008 L2011 K2126 C2131 V2132 E2133 | N2008-A2129 HydrophobicContact CB-CB 3.82Å; L2011-A2129 HydrophobicContact CB-CB 3.61Å; K2126-A2129 WeakPolarHBondContact O-CA 3.4Å; K2126-A2129 VanDerWaalsContact O-CB 3.27Å; K2126-A2129 WeakPolarHBondContact O-CB 3.38Å; K2126-A2129 PolarHBondContact O-N 3.09Å; A2129-C2131 PolarHBondContact O-N 3.5Å; A2129-V2132 WeakPolarHBondContact O-CA 3.22Å; A2129-V2132 WeakPolarHBondContact O-CB 3.35Å; A2129-V2132 PolarHBondContact O-N 2.9Å; A2129-E2133 PolarHBondContact O-N 2.93Å |
| 2130 | D | 93.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.064 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.2 | -35.6 | 176.7 | -49.6 | -13.6 | 0 | 0 | 0 | 111.3 | L1967 E1971 K2126 S2127 A2134 | L1967-D2130 HydrophobicContact CD1-CB 4.09Å; E1971-D2130 HydrophobicContact CG-CB 4.27Å; K2126-D2130 WeakPolarHBondContact CD-OD1 3.45Å; K2126-D2130 WeakPolarHBondContact CD-OD2 3.01Å; K2126-D2130 WeakPolarHBondContact CE-OD1 3.39Å; K2126-D2130 WeakPolarHBondContact CG-OD1 3.34Å; K2126-D2130 IonicContact NZ-OD1 3.92Å; K2126-D2130 PolarHBondContact NZ-OD1 3.47Å; K2126-D2130 IonicContact NZ-OD2 3.73Å; K2126-D2130 PolarHBondContact NZ-OD2 2.87Å; K2126-D2130 PolarHBondContact O-N 3.23Å; S2127-D2130 WeakPolarHBondContact CA-OD2 3.46Å; D2130-A2134 WeakPolarHBondContact O-CB 3.45Å; D2130-A2134 PolarHBondContact O-N 3.01Å |
| 2131 | C | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -71 | -36.7 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 113.6 | A1955 L1967 M2024 S2127 A2129 A2134 L2135 | A1955-C2131 PolarHBondContact O-SG 3.3Å; L1967-C2131 HydrophobicContact CD2-CB 4.48Å; M2024-C2131 HydrophobicContact CE-CB 3.78Å; M2024-C2131 HydrophobicContact CG-CB 4.43Å; M2024-C2131 HydrophobicContact SD-CB 3.75Å; S2127-C2131 VanDerWaalsContact O-CB 3.3Å; S2127-C2131 WeakPolarHBondContact O-CB 3.26Å; S2127-C2131 PolarHBondContact O-N 2.91Å; A2129-C2131 PolarHBondContact O-N 3.5Å; C2131-A2134 PolarHBondContact O-N 3.35Å; C2131-L2135 WeakPolarHBondContact O-CB 3.32Å; C2131-L2135 WeakPolarHBondContact O-CG 3.26Å; C2131-L2135 PolarHBondContact O-N 2.89Å |
| 2132 | V | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 172.7 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L2020 I2128 A2129 L2135 I2136 F2155 | L2020-V2132 HydrophobicContact CD1-CG2 3.68Å; I2128-V2132 WeakPolarHBondContact O-CG2 3.34Å; I2128-V2132 PolarHBondContact O-N 3.29Å; A2129-V2132 WeakPolarHBondContact O-CA 3.22Å; A2129-V2132 WeakPolarHBondContact O-CB 3.35Å; A2129-V2132 PolarHBondContact O-N 2.9Å; V2132-L2135 PolarHBondContact O-N 2.68Å; V2132-I2136 HydrophobicContact CG1-CD1 4.24Å; V2132-I2136 WeakPolarHBondContact O-CG1 3.17Å; V2132-I2136 PolarHBondContact O-N 3.1Å; V2132-F2155 HydrophobicContact CB-CZ 4.44Å; V2132-F2155 HydrophobicContact CG1-CD1 4.35Å; V2132-F2155 HydrophobicContact CG1-CD2 4.1Å; V2132-F2155 HydrophobicContact CG1-CE1 4.25Å; V2132-F2155 HydrophobicContact CG1-CE2 3.98Å; V2132-F2155 HydrophobicContact CG1-CG 4.29Å; V2132-F2155 HydrophobicContact CG1-CZ 4.06Å; V2132-F2155 HydrophobicContact CG2-CD1 4.41Å; V2132-F2155 HydrophobicContact CG2-CE1 3.86Å; V2132-F2155 HydrophobicContact CG2-CZ 4.06Å |
| 2133 | E | 94.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.1 | -69.2 | 165 | -164.9 | 0 | 0 | 110.8 | G1974 L1978 L2011 A2129 L2135 I2136 G2137 | G1974-E2133 WeakPolarHBondContact CA-O 3.27Å; L1978-E2133 HydrophobicContact CD2-CG 4.15Å; L2011-E2133 HydrophobicContact CD1-CG 4.11Å; L2011-E2133 WeakPolarHBondContact CD1-OE1 3.35Å; A2129-E2133 PolarHBondContact O-N 2.93Å; E2133-L2135 VanDerWaalsContact C-N 3.34Å; E2133-L2135 PolarHBondContact O-N 2.96Å; E2133-I2136 WeakPolarHBondContact O-CB 3.27Å; E2133-I2136 PolarHBondContact O-N 3.42Å; E2133-I2136 VanDerWaalsContact O-N 3.13Å; E2133-G2137 PolarHBondContact O-N 2.96Å |
| 2134 | A | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.6 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | A1955 L1967 M1970 D2130 C2131 G2137 C2138 | A1955-A2134 HydrophobicContact CB-CB 3.92Å; L1967-A2134 HydrophobicContact CB-CB 3.81Å; L1967-A2134 HydrophobicContact CD1-CB 4.43Å; M1970-A2134 HydrophobicContact CB-CB 3.93Å; D2130-A2134 WeakPolarHBondContact O-CB 3.45Å; D2130-A2134 PolarHBondContact O-N 3.01Å; C2131-A2134 PolarHBondContact O-N 3.35Å; A2134-G2137 PolarHBondContact O-N 3.2Å; A2134-C2138 WeakPolarHBondContact O-CB 3.35Å; A2134-C2138 PolarHBondContact O-N 3.39Å |
| 2135 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.2 | -37.8 | 174 | -75.6 | 168.3 | 0 | 0 | 0 | 112 | L1571 I1952 A1955 L2020 C2131 V2132 E2133 C2138 Y2139 L2151 F2155 | L1571-L2135 HydrophobicContact CD2-CD1 4.48Å; I1952-L2135 HydrophobicContact CG2-CD2 4.27Å; A1955-L2135 HydrophobicContact CB-CD2 3.84Å; A1955-L2135 HydrophobicContact CB-CG 4.07Å; L2020-L2135 HydrophobicContact CD1-CD1 3.91Å; L2020-L2135 HydrophobicContact CD2-CD1 3.92Å; C2131-L2135 WeakPolarHBondContact O-CB 3.32Å; C2131-L2135 WeakPolarHBondContact O-CG 3.26Å; C2131-L2135 PolarHBondContact O-N 2.89Å; V2132-L2135 PolarHBondContact O-N 2.68Å; E2133-L2135 VanDerWaalsContact C-N 3.34Å; E2133-L2135 PolarHBondContact O-N 2.96Å; L2135-C2138 WeakPolarHBondContact O-CB 3.42Å; L2135-C2138 PolarHBondContact O-N 3.34Å; L2135-Y2139 WeakPolarHBondContact O-CD2 3.46Å; L2135-Y2139 PolarHBondContact O-N 3.12Å; L2135-Y2139 VanDerWaalsContact O-N 3.11Å; L2135-L2151 HydrophobicContact CB-CD2 4.29Å; L2135-L2151 WeakPolarHBondContact O-CD2 3.29Å; L2135-F2155 HydrophobicContact CD1-CZ 4.19Å |
| 2136 | I | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 171.8 | -67.7 | 165.2 | 0 | 0 | 0 | 109.9 | F1977 L1978 V2132 E2133 C2138 Y2139 L2140 A2148 L2151 M2152 | F1977-I2136 HydrophobicContact CD1-CG2 3.91Å; L1978-I2136 HydrophobicContact CD1-CD1 4.44Å; L1978-I2136 HydrophobicContact CD2-CD1 4.45Å; V2132-I2136 HydrophobicContact CG1-CD1 4.24Å; V2132-I2136 WeakPolarHBondContact O-CG1 3.17Å; V2132-I2136 PolarHBondContact O-N 3.1Å; E2133-I2136 WeakPolarHBondContact O-CB 3.27Å; E2133-I2136 PolarHBondContact O-N 3.42Å; E2133-I2136 VanDerWaalsContact O-N 3.13Å; I2136-C2138 VanDerWaalsContact C-N 3.28Å; I2136-C2138 PolarHBondContact O-N 3.5Å; I2136-Y2139 PolarHBondContact O-N 2.99Å; I2136-L2140 VanDerWaalsContact O-CB 3.27Å; I2136-L2140 WeakPolarHBondContact O-CB 3.34Å; I2136-L2140 PolarHBondContact O-N 3.45Å; I2136-A2148 HydrophobicContact CG2-CB 4.29Å; I2136-L2151 HydrophobicContact CG1-CD2 4.17Å; I2136-M2152 HydrophobicContact CD1-CG 3.84Å; I2136-M2152 HydrophobicContact CG1-CG 4.14Å |
| 2137 | G | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.3 | -36.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2133 A2134 T2141 | E2133-G2137 PolarHBondContact O-N 2.96Å; A2134-G2137 PolarHBondContact O-N 3.2Å; G2137-T2141 WeakPolarHBondContact O-CB 3.45Å; G2137-T2141 WeakPolarHBondContact O-CG2 3.37Å; G2137-T2141 PolarHBondContact O-N 2.97Å; G2137-T2141 PolarHBondContact O-OG1 3.49Å |
| 2138 | C | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | T1951 A1955 M1970 A2134 L2135 I2136 T2141 T2142 | T1951-C2138 VanDerWaalsContact C-SG 3.58Å; T1951-C2138 PolarHBondContact O-SG 3.46Å; T1951-C2138 VanDerWaalsContact O-SG 3.32Å; A1955-C2138 HydrophobicContact CB-CB 4.47Å; M1970-C2138 VanDerWaalsContact CE-CA 3.49Å; M1970-C2138 HydrophobicContact CE-CB 3.65Å; M1970-C2138 HydrophobicContact SD-CB 4.32Å; A2134-C2138 WeakPolarHBondContact O-CB 3.35Å; A2134-C2138 PolarHBondContact O-N 3.39Å; L2135-C2138 WeakPolarHBondContact O-CB 3.42Å; L2135-C2138 PolarHBondContact O-N 3.34Å; I2136-C2138 VanDerWaalsContact C-N 3.28Å; I2136-C2138 PolarHBondContact O-N 3.5Å; C2138-T2141 PolarHBondContact O-OG1 3.01Å; C2138-T2142 WeakPolarHBondContact O-CB 3.49Å; C2138-T2142 VanDerWaalsContact O-CG2 3.32Å; C2138-T2142 WeakPolarHBondContact O-CG2 3.43Å; C2138-T2142 PolarHBondContact O-N 2.92Å; C2138-T2142 PolarHBondContact O-OG1 3.04Å |
| 2139 | Y | 90.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74 | -29.4 | 175.8 | -81.5 | -102.9 | 0 | 0 | 0 | 112.7 | I1575 L1581 P1947 I1952 L2135 I2136 R2143 S2147 L2151 | I1575-Y2139 HydrophobicContact CD1-CE2 4.21Å; I1575-Y2139 HydrophobicContact CG2-CE1 4.08Å; I1575-Y2139 WeakPolarHBondContact CG2-OH 3.32Å; L1581-Y2139 HydrophobicContact CB-CE1 4.31Å; L1581-Y2139 HydrophobicContact CD1-CD1 4.05Å; L1581-Y2139 HydrophobicContact CD1-CE1 4.16Å; P1947-Y2139 HydrophobicContact CG-CD1 4.11Å; P1947-Y2139 HydrophobicContact CG-CD2 4.47Å; P1947-Y2139 HydrophobicContact CG-CE1 3.72Å; P1947-Y2139 HydrophobicContact CG-CE2 4.11Å; P1947-Y2139 HydrophobicContact CG-CG 4.47Å; I1952-Y2139 HydrophobicContact CD1-CE2 4.43Å; L2135-Y2139 WeakPolarHBondContact O-CD2 3.46Å; L2135-Y2139 PolarHBondContact O-N 3.12Å; L2135-Y2139 VanDerWaalsContact O-N 3.11Å; I2136-Y2139 PolarHBondContact O-N 2.99Å; Y2139-R2143 PolarHBondContact O-N 3.32Å; Y2139-S2147 PolarHBondContact O-OG 3.48Å; Y2139-L2151 HydrophobicContact CD2-CD1 4.18Å; Y2139-L2151 HydrophobicContact CD2-CD2 3.69Å; Y2139-L2151 HydrophobicContact CD2-CG 4.48Å; Y2139-L2151 HydrophobicContact CE2-CD1 4.14Å; Y2139-L2151 HydrophobicContact CE2-CD2 4.35Å; Y2139-L2151 HydrophobicContact CG-CD1 4.44Å; Y2139-L2151 HydrophobicContact CG-CD2 4.03Å |
| 2140 | L | 89.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -53.6 | 173.1 | -178.6 | 64.5 | 0 | 0 | 0 | 111.8 | I1973 F1977 I2136 T2142 G2144 E2145 A2148 Y2266 | I1973-L2140 HydrophobicContact CG1-CD2 4.12Å; F1977-L2140 HydrophobicContact CB-CD2 3.58Å; F1977-L2140 HydrophobicContact CD1-CD1 4.38Å; F1977-L2140 HydrophobicContact CD1-CD2 4.22Å; F1977-L2140 HydrophobicContact CD2-CD1 3.8Å; F1977-L2140 HydrophobicContact CD2-CD2 3.91Å; F1977-L2140 HydrophobicContact CE1-CD1 4.36Å; F1977-L2140 HydrophobicContact CE2-CD1 3.77Å; F1977-L2140 HydrophobicContact CG-CD1 4.11Å; F1977-L2140 HydrophobicContact CG-CD2 3.63Å; F1977-L2140 HydrophobicContact CG-CG 4.47Å; F1977-L2140 HydrophobicContact CZ-CD1 4.05Å; I2136-L2140 VanDerWaalsContact O-CB 3.27Å; I2136-L2140 WeakPolarHBondContact O-CB 3.34Å; I2136-L2140 PolarHBondContact O-N 3.45Å; L2140-T2142 VanDerWaalsContact C-N 3.3Å; L2140-T2142 PolarHBondContact O-N 3.2Å; L2140-G2144 WeakPolarHBondContact O-CA 3.48Å; L2140-G2144 PolarHBondContact O-N 3.26Å; L2140-E2145 HydrophobicContact CD1-CB 4.49Å; L2140-E2145 HydrophobicContact CD1-CG 4.05Å; L2140-A2148 HydrophobicContact CB-CB 4.01Å; L2140-A2148 HydrophobicContact CD1-CB 4.26Å; L2140-Y2266 HydrophobicContact CD2-CE2 4.03Å |
| 2141 | T | 87.3 | Confident | 88.6 | Confident | 58 Ų | 58 | 25.1 Ų | 25.1 | 36% | 0.356 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -68.6 | -23.8 | -178.1 | 48.8 | 0 | 0 | 0 | 0 | 114 | I1973 G2137 C2138 Y2273 | I1973-T2141 HydrophobicContact CG2-CG2 4.37Å; G2137-T2141 WeakPolarHBondContact O-CB 3.45Å; G2137-T2141 WeakPolarHBondContact O-CG2 3.37Å; G2137-T2141 PolarHBondContact O-N 2.97Å; G2137-T2141 PolarHBondContact O-OG1 3.49Å; C2138-T2141 PolarHBondContact O-OG1 3.01Å; T2141-Y2273 HydrophobicContact CG2-CD1 4.38Å; T2141-Y2273 HydrophobicContact CG2-CE1 3.61Å |
| 2142 | T | 83.1 | Confident | 88.5 | Confident | 23 Ų | 23 | 25.1 Ų | 25.1 | 14% | 0.141 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -100.5 | -22.2 | -178 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | Y1945 P1947 T1951 C2138 L2140 | Y1945-T2142 WeakPolarHBondContact CB-O 3.2Å; P1947-T2142 HydrophobicContact CB-CG2 4.16Å; P1947-T2142 WeakPolarHBondContact CB-OG1 3.37Å; T1951-T2142 HydrophobicContact CG2-CG2 4.15Å; C2138-T2142 WeakPolarHBondContact O-CB 3.49Å; C2138-T2142 VanDerWaalsContact O-CG2 3.32Å; C2138-T2142 WeakPolarHBondContact O-CG2 3.43Å; C2138-T2142 PolarHBondContact O-N 2.92Å; C2138-T2142 PolarHBondContact O-OG1 3.04Å; L2140-T2142 VanDerWaalsContact C-N 3.3Å; L2140-T2142 PolarHBondContact O-N 3.2Å |
| 2143 | R | 77.2 | Confident | 88.2 | Confident | 106 Ų | 106 | 29.2 Ų | 29.2 | 40% | 0.4 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -140.9 | 2.6 | -178.7 | -80.2 | -165.6 | 157.2 | -127.2 | -24.3 | 115.5 | Y1945 Y2139 S2147 | Y1945-R2143 PolarHBondContact O-NE 3.3Å; Y1945-R2143 PolarHBondContact O-NH2 2.93Å; Y2139-R2143 PolarHBondContact O-N 3.32Å; R2143-S2147 WeakPolarHBondContact CB-OG 3.31Å; R2143-S2147 PolarHBondContact O-OG 3.27Å; R2143-S2147 VanDerWaalsContact O-OG 3.07Å |
| 2144 | G | 84.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 30% | 0.299 | 14% | 0.139 | S | C | . | . | trans | 82.4 | -170.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L2140 S2147 A2148 | L2140-G2144 WeakPolarHBondContact O-CA 3.48Å; L2140-G2144 PolarHBondContact O-N 3.26Å; G2144-S2147 PolarHBondContact O-N 2.69Å; G2144-S2147 PolarHBondContact O-OG 2.96Å; G2144-A2148 PolarHBondContact O-N 3.24Å | ||
| 2145 | E | 85.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 30.2 Ų | 30.2 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.2 | -43.3 | -166.8 | -55.6 | -173.7 | 174.2 | 0 | 0 | 113.2 | F1977 L2140 S2147 A2148 L2149 | F1977-E2145 HydrophobicContact CE2-CB 3.94Å; F1977-E2145 HydrophobicContact CE2-CG 3.77Å; F1977-E2145 HydrophobicContact CZ-CB 3.9Å; F1977-E2145 HydrophobicContact CZ-CG 4.25Å; L2140-E2145 HydrophobicContact CD1-CB 4.49Å; L2140-E2145 HydrophobicContact CD1-CG 4.05Å; E2145-S2147 PolarHBondContact O-N 2.83Å; E2145-A2148 PolarHBondContact O-N 3.14Å; E2145-A2148 VanDerWaalsContact O-N 3.07Å; E2145-L2149 WeakPolarHBondContact O-CG 3.12Å; E2145-L2149 PolarHBondContact O-N 3.22Å |
| 2146 | R | 82.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 33 Ų | 33 | 38% | 0.377 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.5 | -30.4 | -176.7 | -64.6 | -165.2 | -174.3 | 102.4 | -1.4 | 113 | E1913 R2150 A2170 R2171 | E1913-R2146 IonicContact OE1-NH1 3.27Å; E1913-R2146 PolarHBondContact OE1-NH1 3.1Å; E1913-R2146 IonicContact OE2-CZ 2.71Å; E1913-R2146 IonicContact OE2-NH1 3.09Å; E1913-R2146 PolarHBondContact OE2-NH1 3Å; E1913-R2146 IonicContact OE2-NH2 3.79Å; E1913-R2146 PolarHBondContact OE2-NH2 2.94Å; R2146-R2150 PolarHBondContact O-N 3.12Å; R2146-A2170 PolarHBondContact NH2-O 3.02Å; R2146-R2171 PolarHBondContact NH2-O 2.71Å |
| 2147 | S | 84.4 | Confident | 86.8 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.9 | -43 | 172.6 | 22.3 | 0 | 0 | 0 | 0 | 113 | L1581 Y2139 R2143 G2144 E2145 L2149 R2150 L2151 | L1581-S2147 WeakPolarHBondContact CD1-O 3.44Å; Y2139-S2147 PolarHBondContact O-OG 3.48Å; R2143-S2147 WeakPolarHBondContact CB-OG 3.31Å; R2143-S2147 PolarHBondContact O-OG 3.27Å; R2143-S2147 VanDerWaalsContact O-OG 3.07Å; G2144-S2147 PolarHBondContact O-N 2.69Å; G2144-S2147 PolarHBondContact O-OG 2.96Å; E2145-S2147 PolarHBondContact O-N 2.83Å; S2147-L2149 VanDerWaalsContact C-N 3.31Å; S2147-L2149 PolarHBondContact O-N 2.96Å; S2147-R2150 PolarHBondContact O-N 3.38Å; S2147-L2151 PolarHBondContact O-N 2.79Å |
| 2148 | A | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1977 I2136 L2140 G2144 E2145 L2151 M2152 | F1977-A2148 HydrophobicContact CD1-CB 4Å; F1977-A2148 HydrophobicContact CE1-CB 3.38Å; F1977-A2148 HydrophobicContact CZ-CB 4.02Å; I2136-A2148 HydrophobicContact CG2-CB 4.29Å; L2140-A2148 HydrophobicContact CB-CB 4.01Å; L2140-A2148 HydrophobicContact CD1-CB 4.26Å; G2144-A2148 PolarHBondContact O-N 3.24Å; E2145-A2148 PolarHBondContact O-N 3.14Å; E2145-A2148 VanDerWaalsContact O-N 3.07Å; A2148-L2151 WeakPolarHBondContact O-CB 3.41Å; A2148-L2151 PolarHBondContact O-N 2.97Å; A2148-M2152 WeakPolarHBondContact O-CG 3.32Å; A2148-M2152 PolarHBondContact O-N 2.93Å |
| 2149 | L | 87.7 | Confident | 85.2 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 173.1 | -70.3 | 175.1 | 0 | 0 | 0 | 113.2 | F1977 V1981 E2145 S2147 L2151 M2152 Q2153 L2160 P2173 | F1977-L2149 HydrophobicContact CZ-CG 4.44Å; V1981-L2149 HydrophobicContact CB-CD2 4.2Å; V1981-L2149 HydrophobicContact CG1-CD2 3.41Å; V1981-L2149 VanDerWaalsContact CG1-CD2 3.41Å; V1981-L2149 HydrophobicContact CG2-CD2 3.65Å; E2145-L2149 WeakPolarHBondContact O-CG 3.12Å; E2145-L2149 PolarHBondContact O-N 3.22Å; S2147-L2149 VanDerWaalsContact C-N 3.31Å; S2147-L2149 PolarHBondContact O-N 2.96Å; L2149-L2151 VanDerWaalsContact C-N 3.33Å; L2149-M2152 PolarHBondContact O-N 2.87Å; L2149-Q2153 PolarHBondContact O-N 3.41Å; L2149-L2160 HydrophobicContact CB-CD2 4.29Å; L2149-L2160 HydrophobicContact CB-CG 4.44Å; L2149-L2160 HydrophobicContact CD1-CD2 4.14Å; L2149-P2173 HydrophobicContact CD1-CB 3.75Å; L2149-P2173 HydrophobicContact CD1-CG 3.84Å |
| 2150 | R | 84.7 | Confident | 84.1 | Confident | 125 Ų | 125 | 38.9 Ų | 38.9 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.6 | -31.8 | 175.1 | -75 | -172.5 | -173.1 | 175.1 | 4.8 | 112.6 | L1581 R2146 S2147 W2154 L2160 | L1581-R2150 HydrophobicContact CD1-CB 3.88Å; L1581-R2150 HydrophobicContact CD2-CB 4.06Å; L1581-R2150 HydrophobicContact CG-CB 4.13Å; R2146-R2150 PolarHBondContact O-N 3.12Å; S2147-R2150 PolarHBondContact O-N 3.38Å; R2150-W2154 PolarHBondContact O-N 2.98Å; R2150-L2160 HydrophobicContact CG-CD1 4.42Å |
| 2151 | L | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 173 | -168 | 78.9 | 0 | 0 | 0 | 111.8 | I1575 L1581 L2135 I2136 Y2139 S2147 A2148 L2149 Q2153 W2154 F2155 | I1575-L2151 HydrophobicContact CD1-CD1 4.08Å; I1575-L2151 HydrophobicContact CG1-CD1 4.37Å; I1575-L2151 HydrophobicContact CG2-CD1 3.65Å; L1581-L2151 HydrophobicContact CD1-CB 4.5Å; L2135-L2151 HydrophobicContact CB-CD2 4.29Å; L2135-L2151 WeakPolarHBondContact O-CD2 3.29Å; I2136-L2151 HydrophobicContact CG1-CD2 4.17Å; Y2139-L2151 HydrophobicContact CD2-CD1 4.18Å; Y2139-L2151 HydrophobicContact CD2-CD2 3.69Å; Y2139-L2151 HydrophobicContact CD2-CG 4.48Å; Y2139-L2151 HydrophobicContact CE2-CD1 4.14Å; Y2139-L2151 HydrophobicContact CE2-CD2 4.35Å; Y2139-L2151 HydrophobicContact CG-CD1 4.44Å; Y2139-L2151 HydrophobicContact CG-CD2 4.03Å; S2147-L2151 PolarHBondContact O-N 2.79Å; A2148-L2151 WeakPolarHBondContact O-CB 3.41Å; A2148-L2151 PolarHBondContact O-N 2.97Å; L2149-L2151 VanDerWaalsContact C-N 3.33Å; L2151-Q2153 VanDerWaalsContact C-N 3.34Å; L2151-Q2153 PolarHBondContact O-N 3.15Å; L2151-W2154 HydrophobicContact CD1-CE3 4.23Å; L2151-W2154 WeakPolarHBondContact O-CB 3.37Å; L2151-W2154 PolarHBondContact O-N 2.96Å; L2151-W2154 VanDerWaalsContact O-N 3.15Å; L2151-F2155 HydrophobicContact CD1-CE2 4.47Å; L2151-F2155 HydrophobicContact CD2-CE2 4.04Å; L2151-F2155 HydrophobicContact CG-CD2 4.19Å; L2151-F2155 HydrophobicContact CG-CE2 3.92Å; L2151-F2155 VanDerWaalsContact O-CD2 3.29Å; L2151-F2155 WeakPolarHBondContact O-CD2 3.49Å; L2151-F2155 PolarHBondContact O-N 3.01Å |
| 2152 | M | 90.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 172.8 | -74.4 | 175.1 | 59.3 | 0 | 0 | 111.2 | F1977 L1978 V1981 V1982 I2136 A2148 L2149 W2154 F2155 G2156 I2157 | F1977-M2152 HydrophobicContact CD1-SD 4.44Å; F1977-M2152 HydrophobicContact CE1-SD 4.2Å; L1978-M2152 HydrophobicContact CD1-CE 3.5Å; L1978-M2152 VanDerWaalsContact CD1-CE 3.5Å; L1978-M2152 HydrophobicContact CD1-SD 4.21Å; V1981-M2152 HydrophobicContact CB-CE 3.96Å; V1981-M2152 HydrophobicContact CB-SD 4.24Å; V1981-M2152 HydrophobicContact CG1-CE 3.48Å; V1981-M2152 VanDerWaalsContact CG1-CE 3.48Å; V1981-M2152 HydrophobicContact CG1-SD 4.02Å; V1981-M2152 HydrophobicContact CG2-SD 4.42Å; V1982-M2152 HydrophobicContact CG2-CE 4.28Å; I2136-M2152 HydrophobicContact CD1-CG 3.84Å; I2136-M2152 HydrophobicContact CG1-CG 4.14Å; A2148-M2152 WeakPolarHBondContact O-CG 3.32Å; A2148-M2152 PolarHBondContact O-N 2.93Å; L2149-M2152 PolarHBondContact O-N 2.87Å; M2152-W2154 VanDerWaalsContact C-N 3.31Å; M2152-W2154 PolarHBondContact O-N 2.93Å; M2152-F2155 PolarHBondContact O-N 3.38Å; M2152-G2156 PolarHBondContact O-N 2.97Å; M2152-I2157 CarbonylContact C-O 3.59Å; M2152-I2157 HydrophobicContact CB-CB 4.25Å; M2152-I2157 HydrophobicContact CE-CB 4.48Å; M2152-I2157 HydrophobicContact CE-CG2 3.86Å; M2152-I2157 WeakPolarHBondContact O-CA 3.45Å; M2152-I2157 PolarHBondContact O-N 3.48Å |
| 2153 | Q | 88.2 | Confident | 78.3 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 173.3 | -173.5 | 176.7 | 52.4 | 0 | 0 | 111.9 | L2149 L2151 F2155 G2156 I2157 D2158 | L2149-Q2153 PolarHBondContact O-N 3.41Å; L2151-Q2153 VanDerWaalsContact C-N 3.34Å; L2151-Q2153 PolarHBondContact O-N 3.15Å; Q2153-F2155 VanDerWaalsContact C-N 3.33Å; Q2153-F2155 PolarHBondContact O-N 3.08Å; Q2153-G2156 WeakPolarHBondContact O-CA 3.37Å; Q2153-G2156 PolarHBondContact O-N 3.47Å; Q2153-I2157 WeakPolarHBondContact CA-O 3.21Å; Q2153-I2157 PolarHBondContact N-O 3Å; Q2153-D2158 PolarHBondContact NE2-OD1 3.45Å |
| 2154 | W | 88.7 | Confident | 76.1 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 175.3 | -179.3 | 75.3 | 0 | 0 | 0 | 113.5 | L1571 I1575 E1578 T1579 K2018 R2150 L2151 M2152 G2156 | L1571-W2154 HydrophobicContact CD1-CH2 4.49Å; I1575-W2154 HydrophobicContact CD1-CH2 4.46Å; I1575-W2154 HydrophobicContact CD1-CZ3 4.41Å; I1575-W2154 HydrophobicContact CG1-CE3 4.39Å; I1575-W2154 HydrophobicContact CG1-CH2 3.86Å; I1575-W2154 HydrophobicContact CG1-CZ2 3.99Å; I1575-W2154 HydrophobicContact CG1-CZ3 4.08Å; E1578-W2154 PolarHBondContact OE2-NE1 2.76Å; T1579-W2154 HydrophobicContact CG2-CB 3.57Å; T1579-W2154 VanDerWaalsContact CG2-CD1 3.43Å; T1579-W2154 HydrophobicContact CG2-CG 3.59Å; K2018-W2154 HydrophobicContact CB-CH2 3.92Å; K2018-W2154 HydrophobicContact CB-CZ3 4.19Å; K2018-W2154 HydrophobicContact CD-CD2 4.35Å; K2018-W2154 HydrophobicContact CD-CE3 4.33Å; K2018-W2154 HydrophobicContact CD-CH2 3.66Å; K2018-W2154 HydrophobicContact CD-CZ2 3.64Å; K2018-W2154 HydrophobicContact CD-CZ3 4Å; K2018-W2154 WeakPolarHBondContact CE-O 3.12Å; K2018-W2154 HydrophobicContact CG-CE3 4.39Å; K2018-W2154 HydrophobicContact CG-CH2 3.84Å; K2018-W2154 HydrophobicContact CG-CZ2 4.35Å; K2018-W2154 HydrophobicContact CG-CZ3 3.85Å; K2018-W2154 VanDerWaalsContact NZ-NE1 3.14Å; K2018-W2154 PolarHBondContact NZ-O 2.87Å; R2150-W2154 PolarHBondContact O-N 2.98Å; L2151-W2154 HydrophobicContact CD1-CE3 4.23Å; L2151-W2154 WeakPolarHBondContact O-CB 3.37Å; L2151-W2154 PolarHBondContact O-N 2.96Å; L2151-W2154 VanDerWaalsContact O-N 3.15Å; M2152-W2154 VanDerWaalsContact C-N 3.31Å; M2152-W2154 PolarHBondContact O-N 2.93Å; W2154-G2156 PolarHBondContact O-N 3.49Å |
| 2155 | F | 88.7 | Confident | 73.7 | Confident | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72 | -12.1 | 171.5 | -78 | -66.9 | 0 | 0 | 0 | 113.7 | L2014 K2018 L2020 V2132 L2135 L2151 M2152 Q2153 | L2014-F2155 WeakPolarHBondContact CD2-O 3.41Å; K2018-F2155 HydrophobicContact CB-CE1 4.26Å; K2018-F2155 HydrophobicContact CG-CD1 3.88Å; K2018-F2155 HydrophobicContact CG-CE1 4.01Å; L2020-F2155 HydrophobicContact CD1-CE1 3.98Å; L2020-F2155 HydrophobicContact CD1-CZ 4.17Å; V2132-F2155 HydrophobicContact CB-CZ 4.44Å; V2132-F2155 HydrophobicContact CG1-CD1 4.35Å; V2132-F2155 HydrophobicContact CG1-CD2 4.1Å; V2132-F2155 HydrophobicContact CG1-CE1 4.25Å; V2132-F2155 HydrophobicContact CG1-CE2 3.98Å; V2132-F2155 HydrophobicContact CG1-CG 4.29Å; V2132-F2155 HydrophobicContact CG1-CZ 4.06Å; V2132-F2155 HydrophobicContact CG2-CD1 4.41Å; V2132-F2155 HydrophobicContact CG2-CE1 3.86Å; V2132-F2155 HydrophobicContact CG2-CZ 4.06Å; L2135-F2155 HydrophobicContact CD1-CZ 4.19Å; L2151-F2155 HydrophobicContact CD1-CE2 4.47Å; L2151-F2155 HydrophobicContact CD2-CE2 4.04Å; L2151-F2155 HydrophobicContact CG-CD2 4.19Å; L2151-F2155 HydrophobicContact CG-CE2 3.92Å; L2151-F2155 VanDerWaalsContact O-CD2 3.29Å; L2151-F2155 WeakPolarHBondContact O-CD2 3.49Å; L2151-F2155 PolarHBondContact O-N 3.01Å; M2152-F2155 PolarHBondContact O-N 3.38Å; Q2153-F2155 VanDerWaalsContact C-N 3.33Å; Q2153-F2155 PolarHBondContact O-N 3.08Å |
| 2156 | G | 82.8 | Confident | 71 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | 8.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | M2152 Q2153 W2154 D2158 | M2152-G2156 PolarHBondContact O-N 2.97Å; Q2153-G2156 WeakPolarHBondContact O-CA 3.37Å; Q2153-G2156 PolarHBondContact O-N 3.47Å; W2154-G2156 PolarHBondContact O-N 3.49Å; G2156-D2158 PolarHBondContact O-N 3.06Å |
| 2157 | I | 85.5 | Confident | 68.6 | Low | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | trans | -97.2 | 85.9 | 177.5 | -50.9 | -179.7 | 0 | 0 | 0 | 108.7 | L1978 V1982 I2005 L2011 L2014 M2152 Q2153 C2159 | L1978-I2157 HydrophobicContact CD1-CD1 4.1Å; V1982-I2157 HydrophobicContact CG2-CG2 4.35Å; I2005-I2157 HydrophobicContact CG2-CG2 4.27Å; L2011-I2157 HydrophobicContact CD2-CD1 3.99Å; L2014-I2157 HydrophobicContact CD1-CD1 3.91Å; L2014-I2157 HydrophobicContact CD1-CG1 3.66Å; M2152-I2157 CarbonylContact C-O 3.59Å; M2152-I2157 HydrophobicContact CB-CB 4.25Å; M2152-I2157 HydrophobicContact CE-CB 4.48Å; M2152-I2157 HydrophobicContact CE-CG2 3.86Å; M2152-I2157 WeakPolarHBondContact O-CA 3.45Å; M2152-I2157 PolarHBondContact O-N 3.48Å; Q2153-I2157 WeakPolarHBondContact CA-O 3.21Å; Q2153-I2157 PolarHBondContact N-O 3Å; I2157-C2159 VanDerWaalsContact C-N 3.32Å; I2157-C2159 PolarHBondContact O-N 3.31Å | ||
| 2158 | D | 78.2 | Confident | 66.2 | Low | 58 Ų | 58 | 63.9 Ų | 63.9 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | trans | -82.3 | 64.8 | -167.5 | -162 | 23 | 0 | 0 | 0 | 113.2 | Q2153 G2156 L2160 K2162 | Q2153-D2158 PolarHBondContact NE2-OD1 3.45Å; G2156-D2158 PolarHBondContact O-N 3.06Å; D2158-L2160 PolarHBondContact O-N 3.17Å; D2158-K2162 WeakPolarHBondContact OD2-CE 3.19Å; D2158-K2162 IonicContact OD2-NZ 2.7Å; D2158-K2162 PolarHBondContact OD2-NZ 3.25Å | ||
| 2159 | C | 72.4 | Confident | 63.5 | Low | 7 Ų | 7 | 67.3 Ų | 67.3 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | trans | -82.5 | -3.6 | -173.9 | -74.1 | 0 | 0 | 0 | 0 | 115.9 | V1981 H1985 I2157 | V1981-C2159 HydrophobicContact CG1-CB 3.68Å; H1985-C2159 HydrophobicContact CB-CB 4.13Å; H1985-C2159 WeakPolarHBondContact ND1-CA 3.44Å; H1985-C2159 PolarHBondContact ND1-O 3.43Å; H1985-C2159 VanDerWaalsContact ND1-O 3.07Å; I2157-C2159 VanDerWaalsContact C-N 3.32Å; I2157-C2159 PolarHBondContact O-N 3.31Å | ||
| 2160 | L | 65.7 | Low | 61.2 | Low | 49 Ų | 49 | 68.6 Ų | 68.6 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81.6 | 139.4 | -179.9 | -74.9 | 163.5 | 0 | 0 | 0 | 111.6 | L2149 R2150 D2158 | L2149-L2160 HydrophobicContact CB-CD2 4.29Å; L2149-L2160 HydrophobicContact CB-CG 4.44Å; L2149-L2160 HydrophobicContact CD1-CD2 4.14Å; R2150-L2160 HydrophobicContact CG-CD1 4.42Å; D2158-L2160 PolarHBondContact O-N 3.17Å |
| 2161 | H | 55.6 | Low | 59.1 | Low | 111 Ų | 111 | 72.1 Ų | 72.1 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | trans | -75.4 | 129.9 | -177 | -153.4 | -102.2 | 0 | 0 | 0 | 111.2 | S2163 | H2161-S2163 PolarHBondContact ND1-OG 3.39Å; H2161-S2163 PolarHBondContact O-N 3.17Å | ||
| 2162 | K | 46.5 | Very low | 57.3 | Low | 172 Ų | 172 | 73.6 Ų | 73.6 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | trans | -82.3 | 25.6 | -171.4 | -69.2 | -178.9 | 176.7 | 170.7 | 0 | 114.8 | D2158 | D2158-K2162 WeakPolarHBondContact OD2-CE 3.19Å; D2158-K2162 IonicContact OD2-NZ 2.7Å; D2158-K2162 PolarHBondContact OD2-NZ 3.25Å | ||
| 2163 | S | 37.5 | Very low | 55.6 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 44% | 0.441 | 41% | 0.41 | S | S | . | . | trans | -95.3 | 121.5 | 177.4 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | H2161 | H2161-S2163 PolarHBondContact ND1-OG 3.39Å; H2161-S2163 PolarHBondContact O-N 3.17Å | ||
| 2164 | D | 31.1 | Very low | 54.2 | Low | 137 Ų | 137 | 71.8 Ų | 71.8 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | trans | 70.2 | 96.4 | 162 | -57.5 | -21.1 | 0 | 0 | 0 | 118.7 | S2166 | D2164-S2166 PolarHBondContact O-N 3.46Š| ||
| 2165 | N | 32.9 | Very low | 52.5 | Low | 188 Ų | 188 | 74.6 Ų | 74.6 | 100% | 1.005 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -69.3 | 37.2 | 158.3 | -74.9 | -36.9 | 0 | 0 | 0 | 112.3 | ||
| 2166 | S | 29.7 | Very low | 50.9 | Low | 72 Ų | 72 | 77.3 Ų | 77.3 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -129.4 | 80 | -179.3 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | D2164 | D2164-S2166 PolarHBondContact O-N 3.46Š|
| 2167 | Q | 32.2 | Very low | 49.4 | Very low | 93 Ų | 93 | 78.9 Ų | 78.9 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | 75.3 | 128.2 | 158.6 | -37.3 | -177 | -78.9 | 0 | 0 | 116.5 | Y1918 T2169 | Y1918-Q2167 HydrophobicContact CD1-CB 3.43Å; Y1918-Q2167 VanDerWaalsContact CD1-CB 3.43Å; Y1918-Q2167 HydrophobicContact CD1-CG 4.43Å; Y1918-Q2167 HydrophobicContact CD2-CB 4.03Å; Y1918-Q2167 HydrophobicContact CD2-CG 4.26Å; Y1918-Q2167 HydrophobicContact CE1-CB 3.39Å; Y1918-Q2167 HydrophobicContact CE2-CB 4.01Å; Y1918-Q2167 HydrophobicContact CE2-CG 4.38Å; Y1918-Q2167 VanDerWaalsContact CE2-OE1 3.24Å; Y1918-Q2167 HydrophobicContact CG-CB 3.69Å; Y1918-Q2167 HydrophobicContact CG-CG 4.21Å; Q2167-T2169 PolarHBondContact O-N 3.21Å | ||
| 2168 | P | 33.1 | Very low | 47.6 | Very low | 78 Ų | 78 | 86.7 Ų | 86.7 | 51% | 0.506 | 46% | 0.464 | S | S | . | . | trans | -84.9 | 112.2 | 180 | 32.3 | -34.2 | 0 | 0 | 0 | 112.5 | D1919 | D1919-P2168 WeakPolarHBondContact OD2-CD 3.32Š| ||
| 2169 | T | 33.7 | Very low | 46.2 | Very low | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | trans | -94.3 | 146 | 157 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | D1915 Y1918 Q2167 R2171 | D1915-T2169 WeakPolarHBondContact OD1-CA 3.45Å; Y1918-T2169 HydrophobicContact CE1-CG2 3.64Å; Y1918-T2169 WeakPolarHBondContact OH-CG2 3.43Å; Q2167-T2169 PolarHBondContact O-N 3.21Å; T2169-R2171 PolarHBondContact O-N 2.93Å | ||
| 2170 | A | 39.5 | Very low | 45 | Very low | 33 Ų | 33 | 91.6 Ų | 91.6 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -68.5 | 21.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117 | D1915 R2146 | D1915-A2170 WeakPolarHBondContact OD1-CB 3.38Å; D1915-A2170 PolarHBondContact OD1-N 3.14Å; D1915-A2170 WeakPolarHBondContact OD2-CB 3.43Å; D1915-A2170 PolarHBondContact OD2-N 2.74Å; R2146-A2170 PolarHBondContact NH2-O 3.02Å |
| 2171 | R | 40.5 | Very low | 44.3 | Very low | 198 Ų | 198 | 92.4 Ų | 92.4 | 75% | 0.747 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -66 | 165.1 | 171.2 | -77.9 | -177.5 | 167.7 | 157.3 | -0.5 | 112.3 | R2146 T2169 | R2146-R2171 PolarHBondContact NH2-O 2.71Å; T2169-R2171 PolarHBondContact O-N 2.93Å |
| 2172 | A | 50.6 | Low | 44.2 | Very low | 32 Ų | 32 | 89 Ų | 89 | 26% | 0.264 | 48% | 0.478 | S | S | . | . | trans | -54.1 | 151.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W2174 F2537 | A2172-W2174 PolarHBondContact O-N 3.19Å; A2172-F2537 HydrophobicContact CB-CB 3.9Å; A2172-F2537 HydrophobicContact CB-CD2 4.12Å; A2172-F2537 HydrophobicContact CB-CG 4.43Å | ||
| 2173 | P | 54.5 | Low | 44.6 | Very low | 34 Ų | 34 | 86.5 Ų | 86.5 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -66.2 | -1.1 | -178.8 | 27.7 | -35.3 | 0 | 0 | 0 | 114.6 | L2149 | L2149-P2173 HydrophobicContact CD1-CB 3.75Å; L2149-P2173 HydrophobicContact CD1-CG 3.84Å |
| 2174 | W | 58.7 | Low | 45.5 | Very low | 13 Ų | 13 | 86.2 Ų | 86.2 | 5% | 0.049 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -132.8 | 137.4 | 178.2 | -51.4 | -64.2 | 0 | 0 | 0 | 110.4 | F1980 V1981 V1984 L1988 A2172 F2537 | F1980-W2174 HydrophobicContact CE1-CH2 4.14Å; F1980-W2174 HydrophobicContact CE1-CZ3 4.37Å; F1980-W2174 HydrophobicContact CZ-CH2 4.21Å; F1980-W2174 HydrophobicContact CZ-CZ3 4.07Å; V1981-W2174 HydrophobicContact CG1-CZ2 4.37Å; V1981-W2174 HydrophobicContact CG2-CH2 4.38Å; V1981-W2174 HydrophobicContact CG2-CZ2 4.48Å; V1984-W2174 HydrophobicContact CB-CD2 4.44Å; V1984-W2174 HydrophobicContact CB-CE3 4.4Å; V1984-W2174 HydrophobicContact CB-CH2 4.03Å; V1984-W2174 HydrophobicContact CB-CZ2 4.08Å; V1984-W2174 HydrophobicContact CB-CZ3 4.2Å; V1984-W2174 HydrophobicContact CG1-CD2 3.57Å; V1984-W2174 HydrophobicContact CG1-CE3 3.57Å; V1984-W2174 HydrophobicContact CG1-CG 4.14Å; V1984-W2174 HydrophobicContact CG1-CH2 4.1Å; V1984-W2174 HydrophobicContact CG1-CZ2 4.11Å; V1984-W2174 HydrophobicContact CG1-CZ3 3.84Å; V1984-W2174 HydrophobicContact CG2-CH2 4.18Å; V1984-W2174 HydrophobicContact CG2-CZ3 4.18Å; L1988-W2174 HydrophobicContact CD1-CB 3.63Å; L1988-W2174 HydrophobicContact CD1-CG 3.77Å; A2172-W2174 PolarHBondContact O-N 3.19Å; W2174-F2537 HydrophobicContact CB-CD2 4.32Å; W2174-F2537 HydrophobicContact CB-CE1 4.42Å; W2174-F2537 HydrophobicContact CB-CE2 3.92Å; W2174-F2537 HydrophobicContact CB-CZ 3.98Å; W2174-F2537 HydrophobicContact CE3-CD1 4.22Å; W2174-F2537 HydrophobicContact CE3-CG 4.38Å; W2174-F2537 WeakPolarHBondContact O-CD2 3.32Å; W2174-F2537 WeakPolarHBondContact O-CE2 3.46Å |
| 2175 | S | 52.8 | Low | 46.8 | Very low | 80 Ų | 80 | 85.3 Ų | 85.3 | 56% | 0.559 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 135 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 2176 | L | 55.7 | Low | 47.9 | Very low | 64 Ų | 64 | 82.9 Ų | 82.9 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60 | 134 | 170.9 | -85.3 | 97 | 0 | 0 | 0 | 109.9 | K2178 L2533 N2536 F2537 | L2176-K2178 PolarHBondContact O-N 3.45Å; L2176-L2533 HydrophobicContact CD2-CB 4.43Å; L2176-N2536 HydrophobicContact CD1-CB 4.35Å; L2176-F2537 HydrophobicContact CD1-CD2 3.98Å; L2176-F2537 HydrophobicContact CD1-CE2 3.48Å; L2176-F2537 VanDerWaalsContact CD1-CE2 3.48Å; L2176-F2537 HydrophobicContact CD1-CZ 4.04Å; L2176-F2537 HydrophobicContact CG-CE2 3.91Å; L2176-F2537 HydrophobicContact CG-CZ 4.01Å |
| 2177 | P | 51.9 | Low | 49.4 | Very low | 90 Ų | 90 | 80.8 Ų | 80.8 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 135.9 | 159.8 | 27.9 | -33.3 | 0 | 0 | 0 | 107.8 | L1988 S2179 | L1988-P2177 HydrophobicContact CD2-CG 4.45Å; P2177-S2179 PolarHBondContact O-N 2.99Å |
| 2178 | K | 46 | Very low | 50.9 | Low | 177 Ų | 177 | 81.5 Ų | 81.5 | 77% | 0.77 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 131.8 | -177.9 | -72.2 | -172.7 | 175.3 | -173.8 | 0 | 110.4 | L2176 N2180 | L2176-K2178 PolarHBondContact O-N 3.45Å; K2178-N2180 PolarHBondContact O-N 3.13Å; K2178-N2180 PolarHBondContact O-OD1 3Å |
| 2179 | S | 48.8 | Very low | 52.1 | Low | 40 Ų | 40 | 80.4 Ų | 80.4 | 28% | 0.28 | 43% | 0.426 | S | S | . | . | trans | -68.5 | 94.7 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | P2177 Y2181 L2182 D2213 | P2177-S2179 PolarHBondContact O-N 2.99Å; S2179-Y2181 PolarHBondContact O-N 3.06Å; S2179-L2182 PolarHBondContact O-N 2.95Å; S2179-D2213 VanDerWaalsContact CB-OD2 3.24Å; S2179-D2213 WeakPolarHBondContact CB-OD2 3.48Å; S2179-D2213 PolarHBondContact OG-OD2 3.4Å | ||
| 2180 | N | 48.3 | Very low | 53.5 | Low | 127 Ų | 127 | 79.4 Ų | 79.4 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -8.7 | 176.6 | -67.5 | -18.1 | 0 | 0 | 0 | 113.4 | K2178 | K2178-N2180 PolarHBondContact O-N 3.13Å; K2178-N2180 PolarHBondContact O-OD1 3Å |
| 2181 | Y | 51.1 | Low | 54.9 | Low | 67 Ų | 67 | 78.9 Ų | 78.9 | 26% | 0.263 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.1 | 177.2 | -56.3 | -70.3 | 0 | 0 | 0 | 113.2 | S2179 N2187 D2249 L2250 | S2179-Y2181 PolarHBondContact O-N 3.06Å; Y2181-N2187 VanDerWaalsContact O-CB 3.23Å; Y2181-N2187 WeakPolarHBondContact O-CB 3.44Å; Y2181-D2249 PolarHBondContact OH-O 3.02Å; Y2181-L2250 HydrophobicContact CD1-CD1 4.05Å; Y2181-L2250 HydrophobicContact CE1-CD1 3.68Å |
| 2182 | L | 53.2 | Low | 56.1 | Low | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -98.6 | -0.4 | -171.1 | -70.8 | 177.8 | 0 | 0 | 0 | 115.5 | S2179 T2184 R2188 L2191 D2213 | S2179-L2182 PolarHBondContact O-N 2.95Å; L2182-T2184 PolarHBondContact O-N 3.03Å; L2182-R2188 HydrophobicContact CD2-CG 4.17Å; L2182-R2188 PolarHBondContact O-NH2 3.27Å; L2182-L2191 HydrophobicContact CD2-CD1 4.28Å; L2182-D2213 HydrophobicContact CD1-CB 3.99Å; L2182-D2213 WeakPolarHBondContact CD1-OD2 3.44Å |
| 2183 | D | 54 | Low | 56.6 | Low | 121 Ų | 121 | 76 Ų | 76 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -71.6 | -7.1 | -175.1 | -78.4 | -26.1 | 0 | 0 | 0 | 115 | ||
| 2184 | T | 58 | Low | 57.1 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -137.7 | 133.8 | -179.9 | 57 | 0 | 0 | 0 | 0 | 111.5 | L2182 E2186 N2187 R2188 | L2182-T2184 PolarHBondContact O-N 3.03Å; T2184-E2186 VanDerWaalsContact C-N 3.31Å; T2184-E2186 PolarHBondContact O-N 3.02Å; T2184-N2187 PolarHBondContact O-N 3.19Å; T2184-N2187 VanDerWaalsContact O-N 3.08Å; T2184-N2187 PolarHBondContact OG1-ND2 2.85Å; T2184-N2187 VanDerWaalsContact OG1-ND2 3.14Å; T2184-R2188 PolarHBondContact O-N 2.83Å |
| 2185 | D | 57.6 | Low | 57.5 | Low | 118 Ų | 118 | 76.6 Ų | 76.6 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.3 | -29.6 | -174.1 | -63.8 | -54.2 | 0 | 0 | 0 | 114.1 | N2187 R2188 A2189 | D2185-N2187 VanDerWaalsContact C-N 3.33Å; D2185-N2187 PolarHBondContact O-N 2.88Å; D2185-R2188 PolarHBondContact O-N 3.1Å; D2185-R2188 VanDerWaalsContact O-N 3.15Å; D2185-R2188 IonicContact OD1-CZ 3.95Å; D2185-R2188 IonicContact OD1-NH1 3.42Å; D2185-R2188 PolarHBondContact OD1-NH1 2.88Å; D2185-A2189 PolarHBondContact O-N 2.97Å |
| 2186 | E | 56.4 | Low | 58.1 | Low | 137 Ų | 137 | 78 Ų | 78 | 64% | 0.64 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.3 | -42.3 | 172.2 | -70.1 | -168.1 | 130.3 | 0 | 0 | 112.2 | T2184 R2188 A2189 N2190 | T2184-E2186 VanDerWaalsContact C-N 3.31Å; T2184-E2186 PolarHBondContact O-N 3.02Å; E2186-R2188 VanDerWaalsContact C-N 3.33Å; E2186-R2188 PolarHBondContact O-N 3.17Å; E2186-A2189 PolarHBondContact O-N 3.33Å; E2186-N2190 WeakPolarHBondContact O-CB 3.28Å; E2186-N2190 VanDerWaalsContact O-CG 3.28Å; E2186-N2190 PolarHBondContact O-N 2.85Å; E2186-N2190 PolarHBondContact O-ND2 3.23Å |
| 2187 | N | 60.3 | Low | 58.5 | Low | 28 Ų | 28 | 76.3 Ų | 76.3 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 176.7 | -74.8 | -17.1 | 0 | 0 | 0 | 111.4 | Y2181 T2184 D2185 N2190 L2191 | Y2181-N2187 VanDerWaalsContact O-CB 3.23Å; Y2181-N2187 WeakPolarHBondContact O-CB 3.44Å; T2184-N2187 PolarHBondContact O-N 3.19Å; T2184-N2187 VanDerWaalsContact O-N 3.08Å; T2184-N2187 PolarHBondContact OG1-ND2 2.85Å; T2184-N2187 VanDerWaalsContact OG1-ND2 3.14Å; D2185-N2187 VanDerWaalsContact C-N 3.33Å; D2185-N2187 PolarHBondContact O-N 2.88Å; N2187-N2190 PolarHBondContact O-N 3.33Å; N2187-L2191 WeakPolarHBondContact O-CB 3.3Å; N2187-L2191 VanDerWaalsContact O-CG 3.28Å; N2187-L2191 WeakPolarHBondContact O-CG 3.26Å; N2187-L2191 PolarHBondContact O-N 2.75Å |
| 2188 | R | 63.4 | Low | 59.2 | Low | 108 Ų | 108 | 74.1 Ų | 74.1 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 176.7 | -159.4 | 179.9 | -61.2 | 130.8 | 7.4 | 111.7 | L2182 T2184 D2185 E2186 N2192 | L2182-R2188 HydrophobicContact CD2-CG 4.17Å; L2182-R2188 PolarHBondContact O-NH2 3.27Å; T2184-R2188 PolarHBondContact O-N 2.83Å; D2185-R2188 PolarHBondContact O-N 3.1Å; D2185-R2188 VanDerWaalsContact O-N 3.15Å; D2185-R2188 IonicContact OD1-CZ 3.95Å; D2185-R2188 IonicContact OD1-NH1 3.42Å; D2185-R2188 PolarHBondContact OD1-NH1 2.88Å; E2186-R2188 VanDerWaalsContact C-N 3.33Å; E2186-R2188 PolarHBondContact O-N 3.17Å; R2188-N2192 WeakPolarHBondContact O-CB 3.26Å; R2188-N2192 PolarHBondContact O-N 3.4Å; R2188-N2192 VanDerWaalsContact O-N 3.12Å; R2188-N2192 PolarHBondContact O-ND2 2.94Å |
| 2189 | A | 60 | Low | 60.5 | Low | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -51.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D2185 E2186 L2191 N2192 E2193 | D2185-A2189 PolarHBondContact O-N 2.97Å; E2186-A2189 PolarHBondContact O-N 3.33Å; A2189-L2191 VanDerWaalsContact C-N 3.31Å; A2189-L2191 PolarHBondContact O-N 3.47Å; A2189-N2192 PolarHBondContact O-N 3.27Å; A2189-E2193 PolarHBondContact O-N 3.42Å |
| 2190 | N | 63.4 | Low | 61.9 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 177.9 | -71.4 | -43.2 | 0 | 0 | 0 | 112.6 | E2186 N2187 A2194 | E2186-N2190 WeakPolarHBondContact O-CB 3.28Å; E2186-N2190 VanDerWaalsContact O-CG 3.28Å; E2186-N2190 PolarHBondContact O-N 2.85Å; E2186-N2190 PolarHBondContact O-ND2 3.23Å; N2187-N2190 PolarHBondContact O-N 3.33Å; N2190-A2194 VanDerWaalsContact O-CB 3.31Å; N2190-A2194 WeakPolarHBondContact O-CB 3.15Å; N2190-A2194 PolarHBondContact O-N 3.11Å |
| 2191 | L | 66.9 | Low | 63.4 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 174 | -78.4 | 166.3 | 0 | 0 | 0 | 112.3 | L2182 N2187 A2189 A2194 R2195 I2218 | L2182-L2191 HydrophobicContact CD2-CD1 4.28Å; N2187-L2191 WeakPolarHBondContact O-CB 3.3Å; N2187-L2191 VanDerWaalsContact O-CG 3.28Å; N2187-L2191 WeakPolarHBondContact O-CG 3.26Å; N2187-L2191 PolarHBondContact O-N 2.75Å; A2189-L2191 VanDerWaalsContact C-N 3.31Å; A2189-L2191 PolarHBondContact O-N 3.47Å; L2191-A2194 CarbonylContact O-C 3.6Å; L2191-A2194 PolarHBondContact O-N 2.92Å; L2191-R2195 WeakPolarHBondContact O-CB 3.47Å; L2191-R2195 PolarHBondContact O-N 3.38Å; L2191-I2218 HydrophobicContact CD2-CD1 3.59Å |
| 2192 | N | 65.8 | Low | 64.8 | Low | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.5 | -36 | 176.1 | -78.3 | -35.1 | 0 | 0 | 0 | 112.8 | R2188 A2189 R2195 L2196 | R2188-N2192 WeakPolarHBondContact O-CB 3.26Å; R2188-N2192 PolarHBondContact O-N 3.4Å; R2188-N2192 VanDerWaalsContact O-N 3.12Å; R2188-N2192 PolarHBondContact O-ND2 2.94Å; A2189-N2192 PolarHBondContact O-N 3.27Å; N2192-R2195 WeakPolarHBondContact O-CB 3.45Å; N2192-R2195 PolarHBondContact O-N 2.95Å; N2192-L2196 PolarHBondContact O-N 3.12Å; N2192-L2196 VanDerWaalsContact O-N 3.14Å |
| 2193 | E | 62.6 | Low | 66.3 | Low | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 166.7 | -78.7 | -165 | 137.9 | 0 | 0 | 111.2 | F65 A2189 R2195 L2196 V2197 | F65-E2193 HydrophobicContact CE2-CB 4.47Å; A2189-E2193 PolarHBondContact O-N 3.42Å; E2193-R2195 PolarHBondContact O-N 3.01Å; E2193-L2196 PolarHBondContact O-N 2.88Å; E2193-V2197 WeakPolarHBondContact O-CB 3.36Å; E2193-V2197 WeakPolarHBondContact O-CG2 3.44Å; E2193-V2197 PolarHBondContact O-N 2.8Å |
| 2194 | A | 64.3 | Low | 67.8 | Low | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -18.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N2190 L2191 W2198 I2218 | N2190-A2194 VanDerWaalsContact O-CB 3.31Å; N2190-A2194 WeakPolarHBondContact O-CB 3.15Å; N2190-A2194 PolarHBondContact O-N 3.11Å; L2191-A2194 CarbonylContact O-C 3.6Å; L2191-A2194 PolarHBondContact O-N 2.92Å; A2194-W2198 WeakPolarHBondContact O-CB 3.29Å; A2194-I2218 HydrophobicContact CB-CD1 4.28Å |
| 2195 | R | 68 | Low | 69.1 | Low | 56 Ų | 56 | 57.9 Ų | 57.9 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.9 | -51.2 | 170 | -177.9 | -176.4 | -179.3 | -176 | 3.8 | 110.7 | L2191 N2192 E2193 R2199 F2200 E2204 | L2191-R2195 WeakPolarHBondContact O-CB 3.47Å; L2191-R2195 PolarHBondContact O-N 3.38Å; N2192-R2195 WeakPolarHBondContact O-CB 3.45Å; N2192-R2195 PolarHBondContact O-N 2.95Å; E2193-R2195 PolarHBondContact O-N 3.01Å; R2195-R2199 PolarHBondContact O-N 2.67Å; R2195-F2200 HydrophobicContact CG-CB 4.11Å; R2195-F2200 PolarHBondContact O-N 3.35Å; R2195-E2204 IonicContact CZ-OE1 2.96Å; R2195-E2204 IonicContact CZ-OE2 3.96Å; R2195-E2204 IonicContact NE-OE1 2.62Å; R2195-E2204 IonicContact NE-OE2 2.71Å; R2195-E2204 PolarHBondContact NE-OE2 3.24Å; R2195-E2204 IonicContact NH2-OE1 2.78Å; R2195-E2204 PolarHBondContact NH2-OE1 3.21Å; R2195-E2204 IonicContact NH2-OE2 3.07Å; R2195-E2204 PolarHBondContact NH2-OE2 3.27Å |
| 2196 | L | 64.9 | Low | 70.4 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.3 | -47.8 | -177.7 | -70.5 | 166.1 | 0 | 0 | 0 | 113.4 | N2192 E2193 W2198 R2199 | N2192-L2196 PolarHBondContact O-N 3.12Å; N2192-L2196 VanDerWaalsContact O-N 3.14Å; E2193-L2196 PolarHBondContact O-N 2.88Å; L2196-W2198 PolarHBondContact O-N 2.95Å; L2196-W2198 VanDerWaalsContact O-N 3.09Å; L2196-R2199 PolarHBondContact O-N 3.11Å; L2196-R2199 VanDerWaalsContact O-N 3.07Å |
| 2197 | V | 63.7 | Low | 71.7 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.7 | -179.3 | 167.9 | 0 | 0 | 0 | 0 | 112 | R64 F65 E2193 | R64-V2197 PolarHBondContact NH1-O 2.67Å; R64-V2197 VanDerWaalsContact NH1-O 3.09Å; F65-V2197 HydrophobicContact CB-CG1 4.15Å; F65-V2197 HydrophobicContact CD2-CB 4.36Å; F65-V2197 HydrophobicContact CD2-CG1 4.14Å; F65-V2197 HydrophobicContact CD2-CG2 4.11Å; E2193-V2197 WeakPolarHBondContact O-CB 3.36Å; E2193-V2197 WeakPolarHBondContact O-CG2 3.44Å; E2193-V2197 PolarHBondContact O-N 2.8Å |
| 2198 | W | 66.8 | Low | 72.9 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 16% | 0.163 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 3.8 | -176.5 | -67.3 | 79 | 0 | 0 | 0 | 114.4 | R61 A2194 L2196 F2200 Y2226 R2311 | R61-W2198 HydrophobicContact CB-CH2 4.03Å; R61-W2198 HydrophobicContact CB-CZ3 4.37Å; R61-W2198 HydrophobicContact CG-CH2 4.33Å; R61-W2198 HydrophobicContact CG-CZ3 4.17Å; A2194-W2198 WeakPolarHBondContact O-CB 3.29Å; L2196-W2198 PolarHBondContact O-N 2.95Å; L2196-W2198 VanDerWaalsContact O-N 3.09Å; W2198-F2200 VanDerWaalsContact C-N 3.32Å; W2198-F2200 PolarHBondContact O-N 3.42Å; W2198-Y2226 HydrophobicContact CH2-CE1 4.07Å; W2198-Y2226 HydrophobicContact CH2-CE2 4.46Å; W2198-Y2226 AromaticContact CH2-CZ 3.74Å; W2198-Y2226 WeakPolarHBondContact CH2-OH 3.38Å; W2198-R2311 VanDerWaalsContact CD2-NH2 3.28Å; W2198-R2311 VanDerWaalsContact CE2-NH1 3.33Å; W2198-R2311 HydrophobicContact CE3-CG 4.15Å; W2198-R2311 HydrophobicContact CH2-CG 4.29Å; W2198-R2311 HydrophobicContact CZ3-CB 4.39Å; W2198-R2311 HydrophobicContact CZ3-CG 3.64Å |
| 2199 | R | 73.1 | Confident | 74.1 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 33.2 | 175.8 | -57.1 | 168.4 | 70.5 | -162.1 | -0.1 | 114.2 | G93 R2195 L2196 D2201 E2202 Y2309 | G93-R2199 VanDerWaalsContact C-NH1 3.34Å; G93-R2199 PolarHBondContact O-NH1 3.08Å; R2195-R2199 PolarHBondContact O-N 2.67Å; L2196-R2199 PolarHBondContact O-N 3.11Å; L2196-R2199 VanDerWaalsContact O-N 3.07Å; R2199-D2201 VanDerWaalsContact C-N 3.26Å; R2199-D2201 VanDerWaalsContact C-OD1 3.23Å; R2199-D2201 WeakPolarHBondContact CA-OD1 3.02Å; R2199-D2201 PolarHBondContact O-N 3.2Å; R2199-E2202 IonicContact CZ-OE1 2.67Å; R2199-E2202 IonicContact CZ-OE2 3.6Å; R2199-E2202 IonicContact NE-OE1 3.32Å; R2199-E2202 PolarHBondContact NE-OE1 3.18Å; R2199-E2202 IonicContact NE-OE2 3.46Å; R2199-E2202 IonicContact NH2-OE1 2.8Å; R2199-E2202 PolarHBondContact NH2-OE1 2.76Å; R2199-E2202 IonicContact NH2-OE2 2.67Å; R2199-E2202 PolarHBondContact NH2-OE2 3.19Å; R2199-E2202 PolarHBondContact O-N 3.36Å; R2199-Y2309 HydrophobicContact CB-CE1 4.21Å; R2199-Y2309 VanDerWaalsContact O-CE1 3.28Å; R2199-Y2309 WeakPolarHBondContact O-CE1 3.33Å |
| 2200 | F | 79.2 | Confident | 75.4 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.5 | -20.1 | 176 | -81.3 | -32.6 | 0 | 0 | 0 | 113.4 | R2195 W2198 E2202 L2203 E2204 L2217 I2218 F2221 Y2309 | R2195-F2200 HydrophobicContact CG-CB 4.11Å; R2195-F2200 PolarHBondContact O-N 3.35Å; W2198-F2200 VanDerWaalsContact C-N 3.32Å; W2198-F2200 PolarHBondContact O-N 3.42Å; F2200-E2202 VanDerWaalsContact C-N 3.31Å; F2200-L2203 HydrophobicContact CD1-CB 4.44Å; F2200-L2203 HydrophobicContact CD1-CD2 3.83Å; F2200-L2203 HydrophobicContact CE1-CD2 4.08Å; F2200-L2203 WeakPolarHBondContact O-CB 3.48Å; F2200-L2203 PolarHBondContact O-N 3.28Å; F2200-L2203 VanDerWaalsContact O-N 3.17Å; F2200-E2204 WeakPolarHBondContact O-CB 3.5Å; F2200-E2204 WeakPolarHBondContact O-CG 3.34Å; F2200-E2204 PolarHBondContact O-N 2.85Å; F2200-L2217 HydrophobicContact CB-CD2 3.88Å; F2200-L2217 HydrophobicContact CD1-CD2 4.25Å; F2200-L2217 HydrophobicContact CD1-CG 4.37Å; F2200-L2217 HydrophobicContact CD2-CD2 4.11Å; F2200-L2217 HydrophobicContact CD2-CG 4.18Å; F2200-L2217 HydrophobicContact CE1-CG 4.44Å; F2200-L2217 HydrophobicContact CE2-CG 4.24Å; F2200-L2217 HydrophobicContact CG-CD2 3.88Å; F2200-L2217 HydrophobicContact CG-CG 4.25Å; F2200-L2217 HydrophobicContact CZ-CG 4.39Å; F2200-I2218 HydrophobicContact CD2-CG1 4.2Å; F2200-I2218 HydrophobicContact CE2-CB 4.37Å; F2200-I2218 HydrophobicContact CE2-CG1 3.69Å; F2200-F2221 HydrophobicContact CE1-CB 4.18Å; F2200-F2221 AromaticContact CE1-CD2 3.93Å; F2200-F2221 HydrophobicContact CE1-CD2 3.93Å; F2200-F2221 AromaticContact CE1-CG 3.93Å; F2200-F2221 HydrophobicContact CE1-CG 3.93Å; F2200-F2221 HydrophobicContact CZ-CB 3.84Å; F2200-F2221 HydrophobicContact CZ-CD2 4.11Å; F2200-F2221 HydrophobicContact CZ-CG 4.07Å; F2200-Y2309 HydrophobicContact CD1-CD1 4.43Å; F2200-Y2309 HydrophobicContact CE1-CG 4.5Å |
| 2201 | D | 78.8 | Confident | 76.5 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 167.4 | 54.1 | -46.7 | 0 | 0 | 0 | 112.6 | R2199 S2205 | R2199-D2201 VanDerWaalsContact C-N 3.26Å; R2199-D2201 VanDerWaalsContact C-OD1 3.23Å; R2199-D2201 WeakPolarHBondContact CA-OD1 3.02Å; R2199-D2201 PolarHBondContact O-N 3.2Å; D2201-S2205 WeakPolarHBondContact O-CB 3.18Å; D2201-S2205 PolarHBondContact O-N 2.72Å; D2201-S2205 PolarHBondContact O-OG 2.72Å |
| 2202 | E | 81.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 171.8 | -67 | -178.4 | -147.4 | 0 | 0 | 112.1 | R2199 F2200 S2206 | R2199-E2202 IonicContact CZ-OE1 2.67Å; R2199-E2202 IonicContact CZ-OE2 3.6Å; R2199-E2202 IonicContact NE-OE1 3.32Å; R2199-E2202 PolarHBondContact NE-OE1 3.18Å; R2199-E2202 IonicContact NE-OE2 3.46Å; R2199-E2202 IonicContact NH2-OE1 2.8Å; R2199-E2202 PolarHBondContact NH2-OE1 2.76Å; R2199-E2202 IonicContact NH2-OE2 2.67Å; R2199-E2202 PolarHBondContact NH2-OE2 3.19Å; R2199-E2202 PolarHBondContact O-N 3.36Å; F2200-E2202 VanDerWaalsContact C-N 3.31Å; E2202-S2206 WeakPolarHBondContact O-CB 3.34Å; E2202-S2206 PolarHBondContact O-N 2.61Å |
| 2203 | L | 83.9 | Confident | 78 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -48.8 | 175.9 | 176.4 | 62.2 | 0 | 0 | 0 | 111.4 | F2200 S2205 S2206 L2207 L2217 F2221 L2306 Y2309 | F2200-L2203 HydrophobicContact CD1-CB 4.44Å; F2200-L2203 HydrophobicContact CD1-CD2 3.83Å; F2200-L2203 HydrophobicContact CE1-CD2 4.08Å; F2200-L2203 WeakPolarHBondContact O-CB 3.48Å; F2200-L2203 PolarHBondContact O-N 3.28Å; F2200-L2203 VanDerWaalsContact O-N 3.17Å; L2203-S2205 VanDerWaalsContact C-N 3.29Å; L2203-S2205 PolarHBondContact O-N 2.95Å; L2203-S2206 WeakPolarHBondContact CA-OG 3.28Å; L2203-S2206 CarbonylContact O-C 3.59Å; L2203-S2206 WeakPolarHBondContact O-CA 3.12Å; L2203-S2206 PolarHBondContact O-N 3.47Å; L2203-S2206 PolarHBondContact O-OG 2.89Å; L2203-L2207 HydrophobicContact CD1-CD1 3.93Å; L2203-L2207 HydrophobicContact CD1-CG 4.2Å; L2203-L2207 HydrophobicContact CG-CD1 3.97Å; L2203-L2207 WeakPolarHBondContact O-CG 3.28Å; L2203-L2207 PolarHBondContact O-N 2.8Å; L2203-L2217 HydrophobicContact CD2-CD1 4.07Å; L2203-F2221 HydrophobicContact CD2-CD2 4.3Å; L2203-F2221 HydrophobicContact CD2-CE1 4.28Å; L2203-F2221 HydrophobicContact CD2-CE2 3.53Å; L2203-F2221 HydrophobicContact CD2-CZ 3.53Å; L2203-L2306 HydrophobicContact CD1-CD2 3.63Å; L2203-Y2309 HydrophobicContact CB-CD2 4.22Å; L2203-Y2309 HydrophobicContact CB-CE1 4.39Å; L2203-Y2309 HydrophobicContact CB-CE2 3.85Å; L2203-Y2309 HydrophobicContact CD1-CD2 4.04Å; L2203-Y2309 HydrophobicContact CD1-CE2 3.85Å; L2203-Y2309 HydrophobicContact CD2-CD2 4.12Å; L2203-Y2309 HydrophobicContact CD2-CG 4.43Å; L2203-Y2309 HydrophobicContact CG-CD2 4.35Å; L2203-Y2309 HydrophobicContact CG-CE2 4.28Å |
| 2204 | E | 86.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 174.5 | -77.9 | 178.9 | 109.8 | 0 | 0 | 111.7 | R2195 F2200 S2206 L2207 N2208 Y2209 T2210 F2211 L2217 | R2195-E2204 IonicContact CZ-OE1 2.96Å; R2195-E2204 IonicContact CZ-OE2 3.96Å; R2195-E2204 IonicContact NE-OE1 2.62Å; R2195-E2204 IonicContact NE-OE2 2.71Å; R2195-E2204 PolarHBondContact NE-OE2 3.24Å; R2195-E2204 IonicContact NH2-OE1 2.78Å; R2195-E2204 PolarHBondContact NH2-OE1 3.21Å; R2195-E2204 IonicContact NH2-OE2 3.07Å; R2195-E2204 PolarHBondContact NH2-OE2 3.27Å; F2200-E2204 WeakPolarHBondContact O-CB 3.5Å; F2200-E2204 WeakPolarHBondContact O-CG 3.34Å; F2200-E2204 PolarHBondContact O-N 2.85Å; E2204-S2206 VanDerWaalsContact C-N 3.34Å; E2204-S2206 PolarHBondContact O-N 3.09Å; E2204-L2207 CarbonylContact O-C 3.5Å; E2204-L2207 PolarHBondContact O-N 3.1Å; E2204-N2208 PolarHBondContact O-N 3Å; E2204-Y2209 CarbonylContact C-O 3.5Å; E2204-Y2209 WeakPolarHBondContact CA-O 3.37Å; E2204-Y2209 WeakPolarHBondContact CB-O 3.39Å; E2204-Y2209 WeakPolarHBondContact CG-O 3.49Å; E2204-Y2209 PolarHBondContact O-N 3.29Å; E2204-Y2209 VanDerWaalsContact O-N 3.17Å; E2204-T2210 WeakPolarHBondContact OE1-CA 3.46Å; E2204-F2211 HydrophobicContact CG-CD2 4.1Å; E2204-F2211 PolarHBondContact OE1-N 2.74Å; E2204-L2217 HydrophobicContact CG-CD2 4.05Å |
| 2205 | S | 84.9 | Confident | 79.5 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62 | -38.9 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | D2201 L2203 L2207 N2208 | D2201-S2205 WeakPolarHBondContact O-CB 3.18Å; D2201-S2205 PolarHBondContact O-N 2.72Å; D2201-S2205 PolarHBondContact O-OG 2.72Å; L2203-S2205 VanDerWaalsContact C-N 3.29Å; L2203-S2205 PolarHBondContact O-N 2.95Å; S2205-L2207 VanDerWaalsContact C-N 3.3Å; S2205-L2207 PolarHBondContact O-N 3.37Å; S2205-N2208 PolarHBondContact O-N 3.19Å |
| 2206 | S | 84.1 | Confident | 80.3 | Confident | 67 Ų | 67 | 50 Ų | 50 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.8 | -20 | 176.6 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | E2202 L2203 E2204 | E2202-S2206 WeakPolarHBondContact O-CB 3.34Å; E2202-S2206 PolarHBondContact O-N 2.61Å; L2203-S2206 WeakPolarHBondContact CA-OG 3.28Å; L2203-S2206 CarbonylContact O-C 3.59Å; L2203-S2206 WeakPolarHBondContact O-CA 3.12Å; L2203-S2206 PolarHBondContact O-N 3.47Å; L2203-S2206 PolarHBondContact O-OG 2.89Å; E2204-S2206 VanDerWaalsContact C-N 3.34Å; E2204-S2206 PolarHBondContact O-N 3.09Å |
| 2207 | L | 83.8 | Confident | 81.3 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -97.2 | -5.3 | 177 | -66.5 | 171.3 | 0 | 0 | 0 | 112.9 | L2203 E2204 S2205 Y2209 L2527 I2549 | L2203-L2207 HydrophobicContact CD1-CD1 3.93Å; L2203-L2207 HydrophobicContact CD1-CG 4.2Å; L2203-L2207 HydrophobicContact CG-CD1 3.97Å; L2203-L2207 WeakPolarHBondContact O-CG 3.28Å; L2203-L2207 PolarHBondContact O-N 2.8Å; E2204-L2207 CarbonylContact O-C 3.5Å; E2204-L2207 PolarHBondContact O-N 3.1Å; S2205-L2207 VanDerWaalsContact C-N 3.3Å; S2205-L2207 PolarHBondContact O-N 3.37Å; L2207-Y2209 PolarHBondContact O-N 2.77Å; L2207-L2527 HydrophobicContact CD1-CD1 4.28Å; L2207-L2527 HydrophobicContact CD1-CD2 3.97Å; L2207-L2527 HydrophobicContact CD2-CD2 4.41Å; L2207-I2549 HydrophobicContact CD2-CD1 4.17Å |
| 2208 | N | 86.3 | Confident | 82.2 | Confident | 159 Ų | 159 | 43.5 Ų | 43.5 | 85% | 0.85 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 34.6 | -169.4 | -74.6 | -36.3 | 0 | 0 | 0 | 113.8 | E2204 S2205 | E2204-N2208 PolarHBondContact O-N 3Å; S2205-N2208 PolarHBondContact O-N 3.19Å |
| 2209 | Y | 88.4 | Confident | 83 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | trans | -137 | 141.7 | -178 | -174.4 | -106.5 | 0 | 0 | 0 | 111.1 | E2204 L2207 F2211 I2531 D2534 T2541 I2545 | E2204-Y2209 CarbonylContact C-O 3.5Å; E2204-Y2209 WeakPolarHBondContact CA-O 3.37Å; E2204-Y2209 WeakPolarHBondContact CB-O 3.39Å; E2204-Y2209 WeakPolarHBondContact CG-O 3.49Å; E2204-Y2209 PolarHBondContact O-N 3.29Å; E2204-Y2209 VanDerWaalsContact O-N 3.17Å; L2207-Y2209 PolarHBondContact O-N 2.77Å; Y2209-F2211 AromaticContact CD1-CD2 3.86Å; Y2209-F2211 HydrophobicContact CD1-CD2 3.86Å; Y2209-F2211 AromaticContact CD1-CE2 3.71Å; Y2209-F2211 HydrophobicContact CD1-CE2 3.71Å; Y2209-F2211 HydrophobicContact CD1-CG 4.38Å; Y2209-F2211 HydrophobicContact CD1-CZ 4.1Å; Y2209-F2211 HydrophobicContact CE1-CD1 4.08Å; Y2209-F2211 HydrophobicContact CE1-CD2 4.01Å; Y2209-F2211 HydrophobicContact CE1-CE1 4.08Å; Y2209-F2211 HydrophobicContact CE1-CE2 4.01Å; Y2209-F2211 HydrophobicContact CE1-CG 4.06Å; Y2209-F2211 HydrophobicContact CE1-CZ 4.05Å; Y2209-I2531 HydrophobicContact CD1-CG1 4.15Å; Y2209-I2531 HydrophobicContact CE1-CG1 4.01Å; Y2209-I2531 HydrophobicContact CE1-CG2 4.38Å; Y2209-D2534 PolarHBondContact OH-OD2 3.03Å; Y2209-T2541 HydrophobicContact CE2-CG2 4.04Å; Y2209-I2545 HydrophobicContact CD1-CD1 4.33Å; Y2209-I2545 HydrophobicContact CD2-CD1 3.49Å; Y2209-I2545 VanDerWaalsContact CD2-CD1 3.49Å; Y2209-I2545 HydrophobicContact CE2-CD1 4.06Å; Y2209-I2545 HydrophobicContact CG-CD1 3.61Å | ||
| 2210 | T | 87.4 | Confident | 83.8 | Confident | 102 Ų | 102 | 40 Ų | 40 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | trans | -122.2 | 126.6 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | E2204 | E2204-T2210 WeakPolarHBondContact OE1-CA 3.46Š| ||
| 2211 | F | 85.1 | Confident | 84.2 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | trans | -80.3 | 140.2 | -177.5 | -75.4 | -100.1 | 0 | 0 | 0 | 111.7 | E2204 Y2209 L2217 L2527 A2530 I2531 D2534 | E2204-F2211 HydrophobicContact CG-CD2 4.1Å; E2204-F2211 PolarHBondContact OE1-N 2.74Å; Y2209-F2211 AromaticContact CD1-CD2 3.86Å; Y2209-F2211 HydrophobicContact CD1-CD2 3.86Å; Y2209-F2211 AromaticContact CD1-CE2 3.71Å; Y2209-F2211 HydrophobicContact CD1-CE2 3.71Å; Y2209-F2211 HydrophobicContact CD1-CG 4.38Å; Y2209-F2211 HydrophobicContact CD1-CZ 4.1Å; Y2209-F2211 HydrophobicContact CE1-CD1 4.08Å; Y2209-F2211 HydrophobicContact CE1-CD2 4.01Å; Y2209-F2211 HydrophobicContact CE1-CE1 4.08Å; Y2209-F2211 HydrophobicContact CE1-CE2 4.01Å; Y2209-F2211 HydrophobicContact CE1-CG 4.06Å; Y2209-F2211 HydrophobicContact CE1-CZ 4.05Å; F2211-L2217 HydrophobicContact CD1-CB 4.33Å; F2211-L2217 HydrophobicContact CD2-CB 4.2Å; F2211-L2217 HydrophobicContact CD2-CD2 3.89Å; F2211-L2217 HydrophobicContact CD2-CG 4.43Å; F2211-L2217 HydrophobicContact CE1-CB 4.33Å; F2211-L2217 HydrophobicContact CE2-CB 4.2Å; F2211-L2217 HydrophobicContact CE2-CD1 3.82Å; F2211-L2217 HydrophobicContact CE2-CD2 3.97Å; F2211-L2217 HydrophobicContact CE2-CG 4.22Å; F2211-L2217 HydrophobicContact CG-CB 4.26Å; F2211-L2217 HydrophobicContact CZ-CB 4.26Å; F2211-L2217 HydrophobicContact CZ-CD1 3.97Å; F2211-L2527 HydrophobicContact CZ-CD1 4.03Å; F2211-A2530 HydrophobicContact CE1-CB 4.07Å; F2211-I2531 HydrophobicContact CE1-CG1 4.01Å; F2211-I2531 HydrophobicContact CE2-CG1 4.44Å; F2211-I2531 HydrophobicContact CZ-CD1 4.34Å; F2211-I2531 HydrophobicContact CZ-CG1 3.57Å; F2211-D2534 HydrophobicContact CD1-CB 3.91Å; F2211-D2534 HydrophobicContact CE1-CB 4.35Å | ||
| 2212 | K | 83.9 | Confident | 84.3 | Confident | 147 Ų | 147 | 37.6 Ų | 37.6 | 64% | 0.639 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -79.9 | -36.3 | 171.1 | -58.5 | 160.1 | -159.1 | 151.3 | 0 | 111 | D2534 | K2212-D2534 WeakPolarHBondContact CA-OD1 3.5Å; K2212-D2534 WeakPolarHBondContact CB-OD2 3.42Å; K2212-D2534 WeakPolarHBondContact CD-OD2 3.42Å; K2212-D2534 VanDerWaalsContact CG-OD2 3.3Å; K2212-D2534 WeakPolarHBondContact CG-OD2 3.05Å; K2212-D2534 VanDerWaalsContact N-CG 3.33Å; K2212-D2534 PolarHBondContact N-OD1 3.08Å; K2212-D2534 PolarHBondContact N-OD2 3.37Å; K2212-D2534 VanDerWaalsContact N-OD2 3.12Å; K2212-D2534 PolarHBondContact NZ-O 2.83Å; K2212-D2534 IonicContact NZ-OD2 3.23Å |
| 2213 | D | 80.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -116.5 | 96 | 171.9 | -167.5 | -20.1 | 0 | 0 | 0 | 111 | S2179 L2182 S2215 L2216 D2534 | S2179-D2213 VanDerWaalsContact CB-OD2 3.24Å; S2179-D2213 WeakPolarHBondContact CB-OD2 3.48Å; S2179-D2213 PolarHBondContact OG-OD2 3.4Å; L2182-D2213 HydrophobicContact CD1-CB 3.99Å; L2182-D2213 WeakPolarHBondContact CD1-OD2 3.44Å; D2213-S2215 PolarHBondContact O-N 3.49Å; D2213-S2215 WeakPolarHBondContact OD1-CB 3.4Å; D2213-S2215 PolarHBondContact OD1-N 3.44Å; D2213-S2215 PolarHBondContact OD1-OG 3.11Å; D2213-S2215 PolarHBondContact OD2-OG 3.34Å; D2213-L2216 HydrophobicContact CB-CD1 4.33Å; D2213-L2216 HydrophobicContact CB-CG 4.44Å; D2213-L2216 PolarHBondContact O-N 3.11Å; D2213-D2534 PolarHBondContact N-OD1 3.11Å | ||
| 2214 | P | 79.4 | Confident | 83.6 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -15.9 | 176.5 | -26.3 | 35.5 | 0 | 0 | 0 | 114.8 | L2216 L2217 I2218 | P2214-L2216 VanDerWaalsContact C-N 3.3Å; P2214-L2216 PolarHBondContact O-N 3.46Å; P2214-L2217 PolarHBondContact O-N 2.8Å; P2214-I2218 WeakPolarHBondContact O-CD1 3.34Å; P2214-I2218 VanDerWaalsContact O-CG1 3.3Å; P2214-I2218 WeakPolarHBondContact O-CG1 3.42Å; P2214-I2218 PolarHBondContact O-N 2.67Å |
| 2215 | S | 78.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67 | -30.7 | 177.4 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | D2213 I2218 Q2219 | D2213-S2215 PolarHBondContact O-N 3.49Å; D2213-S2215 WeakPolarHBondContact OD1-CB 3.4Å; D2213-S2215 PolarHBondContact OD1-N 3.44Å; D2213-S2215 PolarHBondContact OD1-OG 3.11Å; D2213-S2215 PolarHBondContact OD2-OG 3.34Å; S2215-I2218 PolarHBondContact O-N 3.41Å; S2215-Q2219 WeakPolarHBondContact O-CB 3.46Å; S2215-Q2219 PolarHBondContact O-N 3.11Å |
| 2216 | L | 85.1 | Confident | 81.9 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -44 | 174.7 | -66.1 | 173.5 | 0 | 0 | 0 | 111.5 | D2213 P2214 Q2219 A2220 A2530 L2533 D2534 | D2213-L2216 HydrophobicContact CB-CD1 4.33Å; D2213-L2216 HydrophobicContact CB-CG 4.44Å; D2213-L2216 PolarHBondContact O-N 3.11Å; P2214-L2216 VanDerWaalsContact C-N 3.3Å; P2214-L2216 PolarHBondContact O-N 3.46Å; L2216-Q2219 PolarHBondContact O-N 3.49Å; L2216-A2220 PolarHBondContact O-N 3.09Å; L2216-A2530 HydrophobicContact CB-CB 4.17Å; L2216-L2533 HydrophobicContact CD1-CB 3.98Å; L2216-L2533 HydrophobicContact CD2-CD1 4.12Å; L2216-D2534 HydrophobicContact CD1-CB 4.08Å |
| 2217 | L | 86.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 175.5 | -176.9 | 61.3 | 0 | 0 | 0 | 111.5 | F2200 L2203 E2204 F2211 P2214 Q2219 A2220 F2221 L2527 | F2200-L2217 HydrophobicContact CB-CD2 3.88Å; F2200-L2217 HydrophobicContact CD1-CD2 4.25Å; F2200-L2217 HydrophobicContact CD1-CG 4.37Å; F2200-L2217 HydrophobicContact CD2-CD2 4.11Å; F2200-L2217 HydrophobicContact CD2-CG 4.18Å; F2200-L2217 HydrophobicContact CE1-CG 4.44Å; F2200-L2217 HydrophobicContact CE2-CG 4.24Å; F2200-L2217 HydrophobicContact CG-CD2 3.88Å; F2200-L2217 HydrophobicContact CG-CG 4.25Å; F2200-L2217 HydrophobicContact CZ-CG 4.39Å; L2203-L2217 HydrophobicContact CD2-CD1 4.07Å; E2204-L2217 HydrophobicContact CG-CD2 4.05Å; F2211-L2217 HydrophobicContact CD1-CB 4.33Å; F2211-L2217 HydrophobicContact CD2-CB 4.2Å; F2211-L2217 HydrophobicContact CD2-CD2 3.89Å; F2211-L2217 HydrophobicContact CD2-CG 4.43Å; F2211-L2217 HydrophobicContact CE1-CB 4.33Å; F2211-L2217 HydrophobicContact CE2-CB 4.2Å; F2211-L2217 HydrophobicContact CE2-CD1 3.82Å; F2211-L2217 HydrophobicContact CE2-CD2 3.97Å; F2211-L2217 HydrophobicContact CE2-CG 4.22Å; F2211-L2217 HydrophobicContact CG-CB 4.26Å; F2211-L2217 HydrophobicContact CZ-CB 4.26Å; F2211-L2217 HydrophobicContact CZ-CD1 3.97Å; P2214-L2217 PolarHBondContact O-N 2.8Å; L2217-Q2219 VanDerWaalsContact C-N 3.31Å; L2217-Q2219 PolarHBondContact O-N 3.16Å; L2217-A2220 PolarHBondContact O-N 3.48Å; L2217-F2221 HydrophobicContact CD1-CD2 3.87Å; L2217-F2221 HydrophobicContact CD1-CE2 3.68Å; L2217-F2221 WeakPolarHBondContact O-CD2 3.22Å; L2217-F2221 PolarHBondContact O-N 3.42Å; L2217-L2527 HydrophobicContact CD1-CD1 4.06Å |
| 2218 | I | 82.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 173.2 | -68.3 | 160.8 | 0 | 0 | 0 | 111.1 | L2191 A2194 F2200 P2214 S2215 T2222 L2229 L2250 | L2191-I2218 HydrophobicContact CD2-CD1 3.59Å; A2194-I2218 HydrophobicContact CB-CD1 4.28Å; F2200-I2218 HydrophobicContact CD2-CG1 4.2Å; F2200-I2218 HydrophobicContact CE2-CB 4.37Å; F2200-I2218 HydrophobicContact CE2-CG1 3.69Å; P2214-I2218 WeakPolarHBondContact O-CD1 3.34Å; P2214-I2218 VanDerWaalsContact O-CG1 3.3Å; P2214-I2218 WeakPolarHBondContact O-CG1 3.42Å; P2214-I2218 PolarHBondContact O-N 2.67Å; S2215-I2218 PolarHBondContact O-N 3.41Å; I2218-T2222 WeakPolarHBondContact O-CB 3.32Å; I2218-T2222 PolarHBondContact O-N 3.16Å; I2218-T2222 PolarHBondContact O-OG1 3.15Å; I2218-L2229 HydrophobicContact CG2-CD1 3.53Å; I2218-L2229 HydrophobicContact CG2-CD2 3.88Å; I2218-L2229 HydrophobicContact CG2-CG 4.38Å; I2218-L2250 HydrophobicContact CB-CD2 4.36Å; I2218-L2250 HydrophobicContact CG2-CD2 3.7Å |
| 2219 | Q | 83.7 | Confident | 76.7 | Confident | 19 Ų | 19 | 23.4 Ų | 23.4 | 9% | 0.089 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -49 | 177.6 | -178.3 | 174.4 | -3.8 | 0 | 0 | 112.2 | S2215 L2216 L2217 F2221 T2222 C2252 Y2253 L2256 | S2215-Q2219 WeakPolarHBondContact O-CB 3.46Å; S2215-Q2219 PolarHBondContact O-N 3.11Å; L2216-Q2219 PolarHBondContact O-N 3.49Å; L2217-Q2219 VanDerWaalsContact C-N 3.31Å; L2217-Q2219 PolarHBondContact O-N 3.16Å; Q2219-F2221 PolarHBondContact O-N 3.21Å; Q2219-T2222 PolarHBondContact O-N 3.37Å; Q2219-C2252 WeakPolarHBondContact CG-O 3.39Å; Q2219-C2252 PolarHBondContact NE2-O 2.83Å; Q2219-Y2253 PolarHBondContact O-N 2.69Å; Q2219-L2256 HydrophobicContact CB-CD1 3.94Å; Q2219-L2256 HydrophobicContact CG-CD1 3.68Å; Q2219-L2256 HydrophobicContact CG-CG 4.39Å |
| 2220 | A | 88.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -35.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2216 L2217 Y2253 L2256 S2526 A2530 | L2216-A2220 PolarHBondContact O-N 3.09Å; L2217-A2220 PolarHBondContact O-N 3.48Å; A2220-Y2253 WeakPolarHBondContact O-CB 3.43Å; A2220-L2256 HydrophobicContact CB-CD1 4.25Å; A2220-S2526 PolarHBondContact O-OG 3.29Å; A2220-A2530 HydrophobicContact CB-CB 4.21Å |
| 2221 | F | 88.1 | Confident | 72 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.2 | 178.1 | -77.1 | -90.4 | 0 | 0 | 0 | 114.6 | F2200 L2203 L2217 Q2219 L2306 R2311 I2523 L2527 | F2200-F2221 HydrophobicContact CE1-CB 4.18Å; F2200-F2221 AromaticContact CE1-CD2 3.93Å; F2200-F2221 HydrophobicContact CE1-CD2 3.93Å; F2200-F2221 AromaticContact CE1-CG 3.93Å; F2200-F2221 HydrophobicContact CE1-CG 3.93Å; F2200-F2221 HydrophobicContact CZ-CB 3.84Å; F2200-F2221 HydrophobicContact CZ-CD2 4.11Å; F2200-F2221 HydrophobicContact CZ-CG 4.07Å; L2203-F2221 HydrophobicContact CD2-CD2 4.3Å; L2203-F2221 HydrophobicContact CD2-CE1 4.28Å; L2203-F2221 HydrophobicContact CD2-CE2 3.53Å; L2203-F2221 HydrophobicContact CD2-CZ 3.53Å; L2217-F2221 HydrophobicContact CD1-CD2 3.87Å; L2217-F2221 HydrophobicContact CD1-CE2 3.68Å; L2217-F2221 WeakPolarHBondContact O-CD2 3.22Å; L2217-F2221 PolarHBondContact O-N 3.42Å; Q2219-F2221 PolarHBondContact O-N 3.21Å; F2221-L2306 HydrophobicContact CE1-CB 4.01Å; F2221-L2306 HydrophobicContact CZ-CB 4.32Å; F2221-L2306 HydrophobicContact CZ-CD2 4.21Å; F2221-R2311 HydrophobicContact CB-CG 4.49Å; F2221-R2311 WeakPolarHBondContact O-CA 3.49Å; F2221-R2311 VanDerWaalsContact O-CB 3.29Å; F2221-R2311 WeakPolarHBondContact O-CB 3.47Å; F2221-R2311 WeakPolarHBondContact O-CG 3.35Å; F2221-R2311 PolarHBondContact O-N 3.44Å; F2221-I2523 HydrophobicContact CE1-CD1 4.44Å; F2221-L2527 HydrophobicContact CE2-CD1 4.38Å |
| 2222 | T | 81.2 | Confident | 69.4 | Low | 13 Ų | 13 | 20.8 Ų | 20.8 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -100.8 | 102.2 | -175.4 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | I2218 Q2219 L2229 Y2253 | I2218-T2222 WeakPolarHBondContact O-CB 3.32Å; I2218-T2222 PolarHBondContact O-N 3.16Å; I2218-T2222 PolarHBondContact O-OG1 3.15Å; Q2219-T2222 PolarHBondContact O-N 3.37Å; T2222-L2229 HydrophobicContact CG2-CD1 3.97Å; T2222-L2229 VanDerWaalsContact OG1-CD1 3.23Å; T2222-L2229 WeakPolarHBondContact OG1-CD1 3Å; T2222-Y2253 WeakPolarHBondContact O-CD1 3.44Å; T2222-Y2253 PolarHBondContact O-N 3.49Å; T2222-Y2253 VanDerWaalsContact O-N 3.14Å |
| 2223 | H | 81.7 | Confident | 66.7 | Low | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | trans | -71.1 | 142.8 | 174.7 | 175.5 | -98.6 | 0 | 0 | 0 | 111.3 | H23 S2225 Y2226 Y2253 F2310 R2311 A2312 | H23-H2223 AromaticContact CD2-NE2 3.5Å; H23-H2223 AromaticContact CG-NE2 3.78Å; H2223-S2225 PolarHBondContact CE1-OG 3.47Å; H2223-S2225 WeakPolarHBondContact ND1-CB 3.45Å; H2223-S2225 PolarHBondContact ND1-N 3.49Å; H2223-S2225 VanDerWaalsContact ND1-N 3.15Å; H2223-S2225 PolarHBondContact ND1-OG 3.47Å; H2223-S2225 PolarHBondContact O-N 3.25Å; H2223-Y2226 WeakPolarHBondContact O-CB 3.2Å; H2223-Y2226 PolarHBondContact O-N 3.13Å; H2223-Y2253 HydrophobicContact CB-CD1 4.34Å; H2223-Y2253 HydrophobicContact CB-CE1 3.81Å; H2223-Y2253 AromaticContact CD2-CE1 3.77Å; H2223-F2310 HydrophobicContact CB-CE2 3.75Å; H2223-F2310 HydrophobicContact CB-CZ 3.65Å; H2223-F2310 AromaticContact CG-CZ 3.99Å; H2223-R2311 WeakPolarHBondContact CB-O 3.29Å; H2223-R2311 PolarHBondContact N-O 3.12Å; H2223-A2312 HydrophobicContact CB-CB 3.77Å | ||
| 2224 | P | 68.3 | Low | 64.2 | Low | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -19.2 | -177.9 | -27.3 | 31.8 | 0 | 0 | 0 | 117 | V19 C2252 Q2254 | V19-P2224 HydrophobicContact CB-CB 4.05Å; V19-P2224 HydrophobicContact CG1-CB 3.46Å; V19-P2224 VanDerWaalsContact CG1-CB 3.46Å; V19-P2224 HydrophobicContact CG2-CB 3.88Å; V19-P2224 WeakPolarHBondContact CG2-O 3.37Å; P2224-C2252 HydrophobicContact CB-CB 4.31Å; P2224-C2252 HydrophobicContact CG-CB 3.72Å; P2224-Q2254 HydrophobicContact CG-CG 4.02Å |
| 2225 | S | 67.5 | Low | 61.7 | Low | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.4 | 174.8 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | H2223 S2313 | H2223-S2225 PolarHBondContact CE1-OG 3.47Å; H2223-S2225 WeakPolarHBondContact ND1-CB 3.45Å; H2223-S2225 PolarHBondContact ND1-N 3.49Å; H2223-S2225 VanDerWaalsContact ND1-N 3.15Å; H2223-S2225 PolarHBondContact ND1-OG 3.47Å; H2223-S2225 PolarHBondContact O-N 3.25Å; S2225-S2313 PolarHBondContact OG-N 2.81Å; S2225-S2313 VanDerWaalsContact OG-N 3.12Å; S2225-S2313 PolarHBondContact OG-O 2.89Å |
| 2226 | Y | 68.1 | Low | 59.2 | Low | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | trans | -78.8 | 126 | -174.7 | -168 | -104.3 | 0 | 0 | 0 | 112.4 | W2198 H2223 Q2228 L2229 R2311 S2313 | W2198-Y2226 HydrophobicContact CH2-CE1 4.07Å; W2198-Y2226 HydrophobicContact CH2-CE2 4.46Å; W2198-Y2226 AromaticContact CH2-CZ 3.74Å; W2198-Y2226 WeakPolarHBondContact CH2-OH 3.38Å; H2223-Y2226 WeakPolarHBondContact O-CB 3.2Å; H2223-Y2226 PolarHBondContact O-N 3.13Å; Y2226-Q2228 HydrophobicContact CE1-CB 4.47Å; Y2226-L2229 HydrophobicContact CE1-CG 4.4Å; Y2226-R2311 WeakPolarHBondContact CB-O 3.33Å; Y2226-R2311 HydrophobicContact CD1-CB 4.25Å; Y2226-R2311 HydrophobicContact CD2-CB 4.33Å; Y2226-R2311 HydrophobicContact CG-CB 4.09Å; Y2226-S2313 WeakPolarHBondContact CD2-OG 3.49Å | ||
| 2227 | H | 55 | Low | 56.3 | Low | 25 Ų | 25 | 37.4 Ų | 37.4 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | trans | -94.1 | -18.9 | -155.6 | -156.3 | 37.7 | 0 | 0 | 0 | 116.5 | A12 I15 L31 | A12-H2227 WeakPolarHBondContact CB-CE1 3.23Å; A12-H2227 WeakPolarHBondContact CB-NE2 3.35Å; A12-H2227 WeakPolarHBondContact CB-O 3.43Å; A12-H2227 PolarHBondContact O-CE1 2.83Å; I15-H2227 VanDerWaalsContact CD1-O 3.24Å; I15-H2227 WeakPolarHBondContact CD1-O 3.42Å; L31-H2227 HydrophobicContact CD2-CB 4.33Å | ||
| 2228 | Q | 49.6 | Very low | 53.5 | Low | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | trans | -113.3 | -13.5 | -155.1 | -89.5 | -157.3 | 1.6 | 0 | 0 | 119.1 | E62 Y2226 R2230 V2231 | E62-Q2228 PolarHBondContact OE1-NE2 3.01Å; E62-Q2228 PolarHBondContact OE2-NE2 3.44Å; Y2226-Q2228 HydrophobicContact CE1-CB 4.47Å; Q2228-R2230 PolarHBondContact O-N 3.21Å; Q2228-V2231 PolarHBondContact O-N 3.32Å | ||
| 2229 | L | 42.1 | Very low | 50.7 | Low | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7.5 | -163.8 | -109.1 | 169.6 | 0 | 0 | 0 | 117.4 | I2218 T2222 Y2226 | I2218-L2229 HydrophobicContact CG2-CD1 3.53Å; I2218-L2229 HydrophobicContact CG2-CD2 3.88Å; I2218-L2229 HydrophobicContact CG2-CG 4.38Å; T2222-L2229 HydrophobicContact CG2-CD1 3.97Å; T2222-L2229 VanDerWaalsContact OG1-CD1 3.23Å; T2222-L2229 WeakPolarHBondContact OG1-CD1 3Å; Y2226-L2229 HydrophobicContact CE1-CG 4.4Å |
| 2230 | R | 42.5 | Very low | 48 | Very low | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.6 | -173.5 | -171.4 | 175.9 | -56.1 | -173.2 | 4.7 | 113.8 | I11 K14 I15 Q2228 T2248 D2249 L2250 | I11-R2230 HydrophobicContact CG2-CB 3.36Å; I11-R2230 HydrophobicContact CG2-CG 3.43Å; I11-R2230 VanDerWaalsContact CG2-CG 3.43Å; I11-R2230 WeakPolarHBondContact CG2-O 3.24Å; K14-R2230 PolarHBondContact O-NH1 3.12Å; I15-R2230 HydrophobicContact CD1-CB 3.69Å; I15-R2230 HydrophobicContact CG1-CB 3.92Å; Q2228-R2230 PolarHBondContact O-N 3.21Å; R2230-T2248 VanDerWaalsContact CG-O 3.24Å; R2230-T2248 WeakPolarHBondContact CG-O 3.39Å; R2230-T2248 PolarHBondContact NE-O 3.34Å; R2230-T2248 PolarHBondContact O-OG1 3.36Å; R2230-D2249 WeakPolarHBondContact CD-OD1 3.38Å; R2230-D2249 VanDerWaalsContact CZ-CA 3.43Å; R2230-D2249 IonicContact CZ-OD1 2.81Å; R2230-D2249 IonicContact CZ-OD2 3.89Å; R2230-D2249 IonicContact NE-OD1 3.99Å; R2230-D2249 PolarHBondContact NE-OD1 2.87Å; R2230-D2249 IonicContact NH1-OD1 3.39Å; R2230-D2249 PolarHBondContact NH1-OD1 3.29Å; R2230-D2249 IonicContact NH1-OD2 3.77Å; R2230-D2249 PolarHBondContact NH1-OD2 2.96Å; R2230-L2250 PolarHBondContact NH2-O 3.15Å |
| 2231 | V | 33.8 | Very low | 45.1 | Very low | 22 Ų | 22 | 65.5 Ų | 65.5 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | trans | -107.2 | 39.5 | -175.9 | -156.2 | 0 | 0 | 0 | 0 | 115.1 | K8 I11 Q2228 S2233 | K8-V2231 HydrophobicContact CB-CG1 4.31Å; K8-V2231 HydrophobicContact CB-CG2 4.38Å; K8-V2231 HydrophobicContact CD-CG1 4.44Å; K8-V2231 HydrophobicContact CG-CB 4.06Å; K8-V2231 HydrophobicContact CG-CG1 3.43Å; K8-V2231 VanDerWaalsContact CG-CG1 3.43Å; K8-V2231 HydrophobicContact CG-CG2 4Å; I11-V2231 HydrophobicContact CB-CG2 3.92Å; I11-V2231 HydrophobicContact CD1-CG1 4.21Å; I11-V2231 HydrophobicContact CD1-CG2 4.42Å; I11-V2231 HydrophobicContact CG2-CB 4.39Å; I11-V2231 HydrophobicContact CG2-CG2 3.43Å; I11-V2231 VanDerWaalsContact CG2-CG2 3.43Å; Q2228-V2231 PolarHBondContact O-N 3.32Å; V2231-S2233 PolarHBondContact O-N 3.12Å | ||
| 2232 | L | 30.7 | Very low | 42 | Very low | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.314 | 40% | 0.403 | S | S | . | . | trans | -94.9 | 78.3 | 167.9 | -65.3 | -175.8 | 0 | 0 | 0 | 110.6 | F65 | F65-L2232 HydrophobicContact CD1-CD2 4.19Å; F65-L2232 HydrophobicContact CE1-CD2 3.52Å; F65-L2232 HydrophobicContact CE2-CD1 4.01Å; F65-L2232 HydrophobicContact CE2-CD2 4.07Å; F65-L2232 HydrophobicContact CZ-CD1 3.94Å; F65-L2232 HydrophobicContact CZ-CD2 3.46Å; F65-L2232 VanDerWaalsContact CZ-CD2 3.46Å; F65-L2232 HydrophobicContact CZ-CG 4.36Å | ||
| 2233 | S | 25.9 | Very low | 39.2 | Very low | 60 Ų | 60 | 77.5 Ų | 77.5 | 42% | 0.42 | 44% | 0.439 | S | S | . | . | trans | -168.4 | 161.4 | 162.7 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | V2231 | V2231-S2233 PolarHBondContact O-N 3.12Š| ||
| 2234 | T | 29.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 83.7 Ų | 83.7 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | trans | 82.8 | 57.2 | -177 | 72.9 | 0 | 0 | 0 | 0 | 117.6 | R4 | R4-T2234 PolarHBondContact NE-O 2.79Å; R4-T2234 PolarHBondContact NH2-O 3.22Å | ||
| 2235 | S | 26.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 91.2 Ų | 91.2 | 77% | 0.769 | 51% | 0.508 | S | S | * | . | trans | -53.5 | 164.7 | 131.5 | 46 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2236 | N | 25.5 | Very low | 32.6 | Very low | 140 Ų | 140 | 94.8 Ų | 94.8 | 75% | 0.749 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -78.7 | 132.4 | -169.2 | -58.5 | -38.4 | 0 | 0 | 0 | 112.6 | ||
| 2237 | N | 25.7 | Very low | 30.9 | Very low | 160 Ų | 160 | 96.2 Ų | 96.2 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | trans | -164.1 | 161.8 | 130.4 | -94.7 | -26.2 | 0 | 0 | 0 | 110.9 | ||||
| 2238 | L | 26.4 | Very low | 30 | Very low | 160 Ų | 160 | 96.6 Ų | 96.6 | 84% | 0.838 | 54% | 0.539 | S | S | * | . | trans | -101.8 | 161.3 | 172.4 | -91.5 | 70.6 | 0 | 0 | 0 | 109.9 | ||||
| 2239 | S | 25.1 | Very low | 30 | Very low | 109 Ų | 109 | 97.2 Ų | 97.2 | 76% | 0.762 | 54% | 0.543 | S | S | * | . | trans | 59.7 | 126.3 | -173.6 | 29.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2240 | D | 27 | Very low | 30.5 | Very low | 163 Ų | 163 | 96.9 Ų | 96.9 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | cis | -137 | -174.9 | 28.5 | -93 | -40 | 0 | 0 | 0 | 115.1 | ||||
| 2241 | Q | 27 | Very low | 31.5 | Very low | 180 Ų | 180 | 98 Ų | 98 | 84% | 0.841 | 55% | 0.547 | S | S | * | . | trans | -95.6 | 152.6 | 179.5 | -65.8 | -176.4 | -9.2 | 0 | 0 | 113.2 | ||||
| 2242 | S | 23 | Very low | 33.5 | Very low | 108 Ų | 108 | 97.6 Ų | 97.6 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 77.1 | 147.8 | 174.9 | 79.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 2243 | N | 23.3 | Very low | 36.2 | Very low | 156 Ų | 156 | 94.8 Ų | 94.8 | 83% | 0.834 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 64.6 | 42.3 | 164.5 | -61.9 | -6.8 | 0 | 0 | 0 | 120.4 | ||
| 2244 | L | 24.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 92.3 Ų | 92.3 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | trans | -153.7 | 82.1 | 151 | -146.2 | 56.8 | 0 | 0 | 0 | 113.8 | F2246 | L2244-F2246 HydrophobicContact CD1-CZ 4.38Å; L2244-F2246 HydrophobicContact CD2-CD2 4.01Å; L2244-F2246 HydrophobicContact CD2-CE2 3.33Å; L2244-F2246 HydrophobicContact CD2-CZ 3.78Å; L2244-F2246 HydrophobicContact CG-CD2 3.94Å; L2244-F2246 HydrophobicContact CG-CE2 3.68Å; L2244-F2246 HydrophobicContact CG-CZ 4.04Å; L2244-F2246 PolarHBondContact O-N 3.34Å; L2244-F2246 VanDerWaalsContact O-N 3.16Å | ||
| 2245 | M | 26.8 | Very low | 41.6 | Very low | 163 Ų | 163 | 89.6 Ų | 89.6 | 80% | 0.803 | 49% | 0.494 | S | S | * | . | trans | -86.7 | 74.3 | 173.8 | -169 | -178.3 | 65.9 | 0 | 0 | 110.9 | S2247 | M2245-S2247 PolarHBondContact O-N 2.94Å; M2245-S2247 VanDerWaalsContact O-N 3.08Å | ||
| 2246 | F | 27.7 | Very low | 44.7 | Very low | 81 Ų | 81 | 84.3 Ų | 84.3 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | trans | -58 | 116.5 | 170.8 | -79.9 | -56.7 | 0 | 0 | 0 | 110.6 | L2244 | L2244-F2246 HydrophobicContact CD1-CZ 4.38Å; L2244-F2246 HydrophobicContact CD2-CD2 4.01Å; L2244-F2246 HydrophobicContact CD2-CE2 3.33Å; L2244-F2246 HydrophobicContact CD2-CZ 3.78Å; L2244-F2246 HydrophobicContact CG-CD2 3.94Å; L2244-F2246 HydrophobicContact CG-CE2 3.68Å; L2244-F2246 HydrophobicContact CG-CZ 4.04Å; L2244-F2246 PolarHBondContact O-N 3.34Å; L2244-F2246 VanDerWaalsContact O-N 3.16Å | ||
| 2247 | S | 31.2 | Very low | 47.9 | Very low | 40 Ų | 40 | 79.4 Ų | 79.4 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | trans | -136.3 | 81.8 | 176.4 | -164.5 | 0 | 0 | 0 | 0 | 106.9 | K14 M2245 D2249 | K14-S2247 WeakPolarHBondContact CD-OG 3.4Å; K14-S2247 WeakPolarHBondContact CE-OG 3.39Å; K14-S2247 PolarHBondContact NZ-OG 3.38Å; M2245-S2247 PolarHBondContact O-N 2.94Å; M2245-S2247 VanDerWaalsContact O-N 3.08Å; S2247-D2249 PolarHBondContact O-N 3.22Å; S2247-D2249 PolarHBondContact OG-OD1 2.87Å | ||
| 2248 | T | 36.2 | Very low | 51 | Low | 33 Ų | 33 | 72 Ų | 72 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | trans | -73.8 | 69.4 | -176.4 | 38.5 | 0 | 0 | 0 | 0 | 110.3 | R2230 L2250 | R2230-T2248 VanDerWaalsContact CG-O 3.24Å; R2230-T2248 WeakPolarHBondContact CG-O 3.39Å; R2230-T2248 PolarHBondContact NE-O 3.34Å; R2230-T2248 PolarHBondContact O-OG1 3.36Å; T2248-L2250 PolarHBondContact O-N 3.26Å | ||
| 2249 | D | 49.2 | Very low | 54.2 | Low | 46 Ų | 46 | 64.4 Ų | 64.4 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | trans | -74.1 | 55.4 | -173.9 | -79 | 35.1 | 0 | 0 | 0 | 112.4 | Y2181 R2230 S2247 D2251 | Y2181-D2249 PolarHBondContact OH-O 3.02Å; R2230-D2249 WeakPolarHBondContact CD-OD1 3.38Å; R2230-D2249 VanDerWaalsContact CZ-CA 3.43Å; R2230-D2249 IonicContact CZ-OD1 2.81Å; R2230-D2249 IonicContact CZ-OD2 3.89Å; R2230-D2249 IonicContact NE-OD1 3.99Å; R2230-D2249 PolarHBondContact NE-OD1 2.87Å; R2230-D2249 IonicContact NH1-OD1 3.39Å; R2230-D2249 PolarHBondContact NH1-OD1 3.29Å; R2230-D2249 IonicContact NH1-OD2 3.77Å; R2230-D2249 PolarHBondContact NH1-OD2 2.96Å; S2247-D2249 PolarHBondContact O-N 3.22Å; S2247-D2249 PolarHBondContact OG-OD1 2.87Å; D2249-D2251 PolarHBondContact O-N 3.44Å | ||
| 2250 | L | 53.3 | Low | 57.4 | Low | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | trans | -52.2 | 129.6 | 164.8 | -90.9 | 79.6 | 0 | 0 | 0 | 108.9 | Y2181 I2218 R2230 T2248 | Y2181-L2250 HydrophobicContact CD1-CD1 4.05Å; Y2181-L2250 HydrophobicContact CE1-CD1 3.68Å; I2218-L2250 HydrophobicContact CB-CD2 4.36Å; I2218-L2250 HydrophobicContact CG2-CD2 3.7Å; R2230-L2250 PolarHBondContact NH2-O 3.15Å; T2248-L2250 PolarHBondContact O-N 3.26Å | ||
| 2251 | D | 62.3 | Low | 60.6 | Low | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | trans | -79 | 174.5 | 173.5 | -97.9 | -20.7 | 0 | 0 | 0 | 111.1 | N18 D2249 R2255 | N18-D2251 PolarHBondContact ND2-OD1 3.02Å; D2249-D2251 PolarHBondContact O-N 3.44Å; D2251-R2255 WeakPolarHBondContact OD2-CD 3.43Å; D2251-R2255 IonicContact OD2-CZ 3.38Å; D2251-R2255 IonicContact OD2-NE 2.72Å; D2251-R2255 IonicContact OD2-NH1 3.99Å; D2251-R2255 PolarHBondContact OD2-NH1 3.38Å | ||
| 2252 | C | 76.3 | Confident | 63.8 | Low | 15 Ų | 15 | 45.4 Ų | 45.4 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | trans | -82.8 | 171.7 | 169.3 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | Q2219 P2224 Q2254 | Q2219-C2252 WeakPolarHBondContact CG-O 3.39Å; Q2219-C2252 PolarHBondContact NE2-O 2.83Å; P2224-C2252 HydrophobicContact CB-CB 4.31Å; P2224-C2252 HydrophobicContact CG-CB 3.72Å; C2252-Q2254 PolarHBondContact O-N 3.45Å; C2252-Q2254 PolarHBondContact SG-OE1 2.97Å; C2252-Q2254 VanDerWaalsContact SG-OE1 3.34Å | ||
| 2253 | Y | 86.8 | Confident | 67.2 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.9 | 175.6 | 69.6 | -119.3 | 0 | 0 | 0 | 114.4 | Q2219 A2220 T2222 H2223 R2255 L2256 E2257 F2310 A2519 D2522 I2523 | Q2219-Y2253 PolarHBondContact O-N 2.69Å; A2220-Y2253 WeakPolarHBondContact O-CB 3.43Å; T2222-Y2253 WeakPolarHBondContact O-CD1 3.44Å; T2222-Y2253 PolarHBondContact O-N 3.49Å; T2222-Y2253 VanDerWaalsContact O-N 3.14Å; H2223-Y2253 HydrophobicContact CB-CD1 4.34Å; H2223-Y2253 HydrophobicContact CB-CE1 3.81Å; H2223-Y2253 AromaticContact CD2-CE1 3.77Å; Y2253-R2255 PolarHBondContact O-N 3.01Å; Y2253-L2256 CarbonylContact O-C 3.57Å; Y2253-L2256 WeakPolarHBondContact O-CA 3.41Å; Y2253-L2256 WeakPolarHBondContact O-CB 3.39Å; Y2253-L2256 PolarHBondContact O-N 3.1Å; Y2253-E2257 HydrophobicContact CD2-CB 4.13Å; Y2253-E2257 VanDerWaalsContact CE2-OE2 3.23Å; Y2253-E2257 WeakPolarHBondContact CE2-OE2 3.45Å; Y2253-E2257 PolarHBondContact O-N 3.16Å; Y2253-F2310 HydrophobicContact CE1-CE2 4.04Å; Y2253-A2519 WeakPolarHBondContact OH-CB 3.35Å; Y2253-D2522 HydrophobicContact CD2-CB 3.93Å; Y2253-D2522 HydrophobicContact CE2-CB 3.24Å; Y2253-D2522 WeakPolarHBondContact CE2-OD2 3.33Å; Y2253-D2522 PolarHBondContact OH-OD2 3.14Å; Y2253-I2523 HydrophobicContact CD1-CG2 4.26Å; Y2253-I2523 HydrophobicContact CE1-CG2 4.38Å |
| 2254 | Q | 84.3 | Confident | 70.5 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -27.1 | -163.9 | -62.6 | 176.2 | -66.7 | 0 | 0 | 114.8 | H23 E1995 P2224 C2252 E2257 F2258 | H23-Q2254 PolarHBondContact NE2-NE2 3.23Å; E1995-Q2254 HydrophobicContact CB-CB 3.94Å; E1995-Q2254 HydrophobicContact CG-CB 4.38Å; P2224-Q2254 HydrophobicContact CG-CG 4.02Å; C2252-Q2254 PolarHBondContact O-N 3.45Å; C2252-Q2254 PolarHBondContact SG-OE1 2.97Å; C2252-Q2254 VanDerWaalsContact SG-OE1 3.34Å; Q2254-E2257 VanDerWaalsContact CA-OE2 3.3Å; Q2254-E2257 WeakPolarHBondContact CA-OE2 3.36Å; Q2254-F2258 WeakPolarHBondContact O-CB 3.48Å; Q2254-F2258 PolarHBondContact O-N 3.43Å; Q2254-F2258 VanDerWaalsContact O-N 3.1Å |
| 2255 | R | 86.3 | Confident | 73.7 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.9 | -31.3 | 173.2 | -67.7 | -178.1 | 61.4 | -147.9 | -4.2 | 112.5 | Y1987 P1991 A1993 L1998 D2251 Y2253 L2259 | Y1987-R2255 HydrophobicContact CD2-CB 4.37Å; Y1987-R2255 VanDerWaalsContact CD2-O 3.3Å; Y1987-R2255 WeakPolarHBondContact CD2-O 3.28Å; Y1987-R2255 HydrophobicContact CE2-CB 3.88Å; Y1987-R2255 WeakPolarHBondContact CE2-O 3.41Å; Y1987-R2255 PolarHBondContact O-NH2 2.82Å; P1991-R2255 VanDerWaalsContact O-CZ 3.26Å; P1991-R2255 PolarHBondContact O-NH1 3.09Å; P1991-R2255 PolarHBondContact O-NH2 3.09Å; A1993-R2255 WeakPolarHBondContact O-CD 3.35Å; A1993-R2255 PolarHBondContact O-NE 2.89Å; L1998-R2255 HydrophobicContact CD1-CG 4.46Å; D2251-R2255 WeakPolarHBondContact OD2-CD 3.43Å; D2251-R2255 IonicContact OD2-CZ 3.38Å; D2251-R2255 IonicContact OD2-NE 2.72Å; D2251-R2255 IonicContact OD2-NH1 3.99Å; D2251-R2255 PolarHBondContact OD2-NH1 3.38Å; Y2253-R2255 PolarHBondContact O-N 3.01Å; R2255-L2259 PolarHBondContact O-N 3.48Å |
| 2256 | L | 90.2 | Very high | 76.9 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -79.1 | -31.9 | 173.8 | -64.3 | 176.7 | 0 | 0 | 0 | 111.6 | Y1987 Q2219 A2220 Y2253 L2259 G2260 A2530 L2533 | Y1987-L2256 HydrophobicContact CE2-CD2 4.29Å; Y1987-L2256 WeakPolarHBondContact OH-CD2 3.34Å; Q2219-L2256 HydrophobicContact CB-CD1 3.94Å; Q2219-L2256 HydrophobicContact CG-CD1 3.68Å; Q2219-L2256 HydrophobicContact CG-CG 4.39Å; A2220-L2256 HydrophobicContact CB-CD1 4.25Å; Y2253-L2256 CarbonylContact O-C 3.57Å; Y2253-L2256 WeakPolarHBondContact O-CA 3.41Å; Y2253-L2256 WeakPolarHBondContact O-CB 3.39Å; Y2253-L2256 PolarHBondContact O-N 3.1Å; L2256-L2259 PolarHBondContact O-N 3.22Å; L2256-G2260 PolarHBondContact O-N 2.93Å; L2256-A2530 HydrophobicContact CD1-CB 4.28Å; L2256-L2533 HydrophobicContact CD2-CD1 3.54Å |
| 2257 | E | 93 | Very high | 80 | Confident | 36 Ų | 36 | 16.5 Ų | 16.5 | 17% | 0.168 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.6 | -56.7 | 168.7 | 169 | -160.7 | 166.6 | 0 | 0 | 109.9 | Y2253 Q2254 L2259 G2260 D2261 D2522 | Y2253-E2257 HydrophobicContact CD2-CB 4.13Å; Y2253-E2257 VanDerWaalsContact CE2-OE2 3.23Å; Y2253-E2257 WeakPolarHBondContact CE2-OE2 3.45Å; Y2253-E2257 PolarHBondContact O-N 3.16Å; Q2254-E2257 VanDerWaalsContact CA-OE2 3.3Å; Q2254-E2257 WeakPolarHBondContact CA-OE2 3.36Å; E2257-L2259 PolarHBondContact O-N 2.91Å; E2257-L2259 VanDerWaalsContact O-N 3.12Å; E2257-G2260 PolarHBondContact O-N 3.07Å; E2257-D2261 WeakPolarHBondContact O-CB 3.09Å; E2257-D2261 PolarHBondContact O-N 3.37Å; E2257-D2522 HydrophobicContact CG-CB 3.99Å |
| 2258 | F | 91.5 | Very high | 82.9 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.022 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -51.2 | -38 | 175.3 | 172.1 | -101.2 | 0 | 0 | 0 | 113.3 | T1983 E1995 L1998 R2002 Q2254 | T1983-F2258 HydrophobicContact CG2-CD1 3.7Å; T1983-F2258 HydrophobicContact CG2-CE1 3.45Å; T1983-F2258 VanDerWaalsContact CG2-CE1 3.45Å; T1983-F2258 HydrophobicContact CG2-CE2 4.42Å; T1983-F2258 HydrophobicContact CG2-CG 4.3Å; T1983-F2258 HydrophobicContact CG2-CZ 3.84Å; T1983-F2258 WeakPolarHBondContact CG2-O 3.4Å; E1995-F2258 HydrophobicContact CG-CB 4.16Å; L1998-F2258 HydrophobicContact CB-CD1 4.05Å; L1998-F2258 HydrophobicContact CB-CD2 4.28Å; L1998-F2258 HydrophobicContact CB-CE1 3.66Å; L1998-F2258 HydrophobicContact CB-CE2 3.91Å; L1998-F2258 HydrophobicContact CB-CG 4.35Å; L1998-F2258 HydrophobicContact CB-CZ 3.59Å; L1998-F2258 HydrophobicContact CD1-CD1 3.98Å; L1998-F2258 HydrophobicContact CD1-CE1 4.13Å; L1998-F2258 HydrophobicContact CG-CE1 4.36Å; R2002-F2258 HydrophobicContact CB-CE2 4.18Å; R2002-F2258 HydrophobicContact CB-CZ 4.19Å; Q2254-F2258 WeakPolarHBondContact O-CB 3.48Å; Q2254-F2258 PolarHBondContact O-N 3.43Å; Q2254-F2258 VanDerWaalsContact O-N 3.1Å |
| 2259 | L | 93.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -72.9 | -43.5 | 175.6 | -179.1 | 61.7 | 0 | 0 | 0 | 112.3 | T1983 V1984 Y1987 R2255 L2256 E2257 V2263 F2532 L2533 | T1983-L2259 HydrophobicContact CG2-CD1 4.43Å; V1984-L2259 HydrophobicContact CG2-CD1 3.8Å; Y1987-L2259 HydrophobicContact CD2-CB 4.22Å; Y1987-L2259 HydrophobicContact CD2-CD2 4.35Å; Y1987-L2259 HydrophobicContact CE2-CB 4.49Å; Y1987-L2259 HydrophobicContact CE2-CD2 4.25Å; R2255-L2259 PolarHBondContact O-N 3.48Å; L2256-L2259 PolarHBondContact O-N 3.22Å; E2257-L2259 PolarHBondContact O-N 2.91Å; E2257-L2259 VanDerWaalsContact O-N 3.12Å; L2259-V2263 WeakPolarHBondContact O-CG2 3.31Å; L2259-V2263 PolarHBondContact O-N 2.86Å; L2259-F2532 HydrophobicContact CD1-CD1 4.22Å; L2259-F2532 HydrophobicContact CD1-CE1 4.25Å; L2259-F2532 HydrophobicContact CD2-CD1 4.29Å; L2259-F2532 HydrophobicContact CG-CD1 4.31Å; L2259-L2533 HydrophobicContact CD2-CD1 3.87Å; L2259-L2533 HydrophobicContact CD2-CD2 4.09Å; L2259-L2533 HydrophobicContact CD2-CG 3.86Å |
| 2260 | G | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.5 | -38 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L2256 E2257 A2262 V2263 L2264 E2525 | L2256-G2260 PolarHBondContact O-N 2.93Å; E2257-G2260 PolarHBondContact O-N 3.07Å; G2260-A2262 VanDerWaalsContact C-N 3.34Å; G2260-A2262 PolarHBondContact O-N 3.47Å; G2260-V2263 PolarHBondContact O-N 3.39Å; G2260-L2264 WeakPolarHBondContact O-CB 3.36Å; G2260-L2264 WeakPolarHBondContact O-CG 3.46Å; G2260-L2264 PolarHBondContact O-N 3.12Å; G2260-E2525 WeakPolarHBondContact CA-O 3.37Å |
| 2261 | D | 93.7 | Very high | 89.2 | Confident | 51 Ų | 51 | 13.8 Ų | 13.8 | 27% | 0.273 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -46.4 | -56.6 | 169 | 157.4 | 60.7 | 0 | 0 | 0 | 110.6 | R2002 E2257 V2263 L2264 D2265 | R2002-D2261 IonicContact CZ-OD2 3.8Å; R2002-D2261 IonicContact NH1-OD2 3.73Å; R2002-D2261 PolarHBondContact NH1-OD2 3.11Å; R2002-D2261 IonicContact NH2-OD2 2.72Å; R2002-D2261 PolarHBondContact NH2-OD2 2.91Å; E2257-D2261 WeakPolarHBondContact O-CB 3.09Å; E2257-D2261 PolarHBondContact O-N 3.37Å; D2261-V2263 PolarHBondContact O-N 3.36Å; D2261-L2264 PolarHBondContact O-N 2.99Å; D2261-D2265 VanDerWaalsContact O-CB 3.31Å; D2261-D2265 WeakPolarHBondContact O-CB 3.49Å; D2261-D2265 PolarHBondContact O-N 3.2Å |
| 2262 | A | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -73.3 | -27.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1980 T1983 G2260 Y2266 | F1980-A2262 HydrophobicContact CB-CB 4.49Å; T1983-A2262 HydrophobicContact CG2-CB 3.86Å; T1983-A2262 WeakPolarHBondContact OG1-CB 3.34Å; G2260-A2262 VanDerWaalsContact C-N 3.34Å; G2260-A2262 PolarHBondContact O-N 3.47Å; A2262-Y2266 WeakPolarHBondContact O-CB 3.44Å; A2262-Y2266 PolarHBondContact O-N 3.07Å |
| 2263 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.2 | -50 | 173.1 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | F1980 L2259 G2260 D2261 Y2266 V2267 F2532 L2539 V2542 | F1980-V2263 HydrophobicContact CD2-CG2 4.03Å; F1980-V2263 HydrophobicContact CE2-CG2 3.83Å; L2259-V2263 WeakPolarHBondContact O-CG2 3.31Å; L2259-V2263 PolarHBondContact O-N 2.86Å; G2260-V2263 PolarHBondContact O-N 3.39Å; D2261-V2263 PolarHBondContact O-N 3.36Å; V2263-Y2266 PolarHBondContact O-N 2.98Å; V2263-V2267 HydrophobicContact CG1-CG2 4.5Å; V2263-V2267 WeakPolarHBondContact O-CB 3.48Å; V2263-V2267 VanDerWaalsContact O-CG2 3.28Å; V2263-V2267 WeakPolarHBondContact O-CG2 3.46Å; V2263-V2267 PolarHBondContact O-N 3.07Å; V2263-F2532 HydrophobicContact CG2-CB 4.43Å; V2263-F2532 HydrophobicContact CG2-CD1 3.76Å; V2263-F2532 HydrophobicContact CG2-CD2 4.4Å; V2263-F2532 HydrophobicContact CG2-CE1 4.07Å; V2263-F2532 HydrophobicContact CG2-CG 3.95Å; V2263-L2539 HydrophobicContact CG1-CD2 4Å; V2263-L2539 HydrophobicContact CG2-CD2 4.36Å; V2263-V2542 HydrophobicContact CG1-CG1 4.05Å; V2263-V2542 HydrophobicContact CG1-CG2 4.39Å |
| 2264 | L | 93.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | -179.3 | -70.3 | 175.2 | 0 | 0 | 0 | 111.2 | G2260 D2261 Y2266 V2267 I2268 F2297 F2524 E2525 A2528 F2546 | G2260-L2264 WeakPolarHBondContact O-CB 3.36Å; G2260-L2264 WeakPolarHBondContact O-CG 3.46Å; G2260-L2264 PolarHBondContact O-N 3.12Å; D2261-L2264 PolarHBondContact O-N 2.99Å; L2264-Y2266 PolarHBondContact O-N 3.1Å; L2264-V2267 PolarHBondContact O-N 2.98Å; L2264-I2268 HydrophobicContact CB-CD1 4.36Å; L2264-I2268 VanDerWaalsContact O-CB 3.28Å; L2264-I2268 WeakPolarHBondContact O-CB 3.43Å; L2264-I2268 WeakPolarHBondContact O-CD1 3.48Å; L2264-I2268 VanDerWaalsContact O-CG1 3.23Å; L2264-I2268 WeakPolarHBondContact O-CG1 3.27Å; L2264-I2268 PolarHBondContact O-N 2.72Å; L2264-F2297 HydrophobicContact CD1-CE2 4.48Å; L2264-F2297 HydrophobicContact CD1-CZ 4.27Å; L2264-F2524 HydrophobicContact CD1-CD1 3.99Å; L2264-F2524 HydrophobicContact CD1-CE1 4.11Å; L2264-E2525 HydrophobicContact CD1-CG 4.04Å; L2264-A2528 HydrophobicContact CD1-CB 4.08Å; L2264-A2528 HydrophobicContact CD2-CB 3.88Å; L2264-A2528 HydrophobicContact CG-CB 3.85Å; L2264-F2546 HydrophobicContact CD2-CD1 4.03Å; L2264-F2546 HydrophobicContact CD2-CE1 4.4Å; L2264-F2546 HydrophobicContact CD2-CG 4.27Å |
| 2265 | D | 92.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 176.4 | -178.8 | 52.8 | 0 | 0 | 0 | 112.1 | D2261 T2269 R2288 V2292 | D2261-D2265 VanDerWaalsContact O-CB 3.31Å; D2261-D2265 WeakPolarHBondContact O-CB 3.49Å; D2261-D2265 PolarHBondContact O-N 3.2Å; D2265-T2269 WeakPolarHBondContact O-CB 3.46Å; D2265-T2269 PolarHBondContact O-N 3.27Å; D2265-T2269 PolarHBondContact O-OG1 3.2Å; D2265-R2288 IonicContact OD1-CZ 3.54Å; D2265-R2288 IonicContact OD1-NE 2.65Å; D2265-R2288 PolarHBondContact OD1-NE 3.47Å; D2265-R2288 IonicContact OD1-NH2 2.71Å; D2265-R2288 PolarHBondContact OD1-NH2 3.37Å; D2265-R2288 IonicContact OD2-CZ 3.85Å; D2265-R2288 IonicContact OD2-NE 3.66Å; D2265-R2288 IonicContact OD2-NH2 2.72Å; D2265-R2288 PolarHBondContact OD2-NH2 3.22Å; D2265-V2292 HydrophobicContact CB-CG1 4.29Å |
| 2266 | Y | 93.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.3 | -48.9 | 177.6 | 177.7 | -122.7 | 0 | 0 | 0 | 113 | I1973 F1977 F1980 L2140 A2262 V2263 L2264 I2268 T2269 R2270 L2539 | I1973-Y2266 HydrophobicContact CD1-CD2 4.25Å; I1973-Y2266 HydrophobicContact CD1-CE2 3.77Å; I1973-Y2266 HydrophobicContact CG1-CE2 4.48Å; F1977-Y2266 HydrophobicContact CB-CD2 4.02Å; F1977-Y2266 HydrophobicContact CB-CE2 3.8Å; F1977-Y2266 HydrophobicContact CD2-CD2 4.47Å; F1977-Y2266 AromaticContact CD2-CE1 3.98Å; F1977-Y2266 HydrophobicContact CD2-CE1 3.98Å; F1977-Y2266 AromaticContact CD2-CE2 3.93Å; F1977-Y2266 HydrophobicContact CD2-CE2 3.93Å; F1977-Y2266 AromaticContact CD2-CZ 3.68Å; F1977-Y2266 HydrophobicContact CG-CE2 4.35Å; F1980-Y2266 HydrophobicContact CB-CG 4.36Å; F1980-Y2266 AromaticContact CD1-CD1 3.96Å; F1980-Y2266 HydrophobicContact CD1-CD1 3.96Å; F1980-Y2266 HydrophobicContact CD1-CE1 4.42Å; F1980-Y2266 HydrophobicContact CE1-CD1 4.37Å; F1980-Y2266 HydrophobicContact CG-CD1 4.25Å; L2140-Y2266 HydrophobicContact CD2-CE2 4.03Å; A2262-Y2266 WeakPolarHBondContact O-CB 3.44Å; A2262-Y2266 PolarHBondContact O-N 3.07Å; V2263-Y2266 PolarHBondContact O-N 2.98Å; L2264-Y2266 PolarHBondContact O-N 3.1Å; Y2266-I2268 PolarHBondContact O-N 2.83Å; Y2266-T2269 PolarHBondContact O-N 3.07Å; Y2266-R2270 HydrophobicContact CE2-CB 4.42Å; Y2266-R2270 WeakPolarHBondContact O-CB 3.45Å; Y2266-R2270 PolarHBondContact O-N 3.35Å; Y2266-L2539 HydrophobicContact CD1-CD1 3.76Å; Y2266-L2539 HydrophobicContact CE1-CD1 3.6Å |
| 2267 | V | 93.4 | Very high | 89.9 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | -176.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | V2263 L2264 R2270 F2271 L2539 W2543 | V2263-V2267 HydrophobicContact CG1-CG2 4.5Å; V2263-V2267 WeakPolarHBondContact O-CB 3.48Å; V2263-V2267 VanDerWaalsContact O-CG2 3.28Å; V2263-V2267 WeakPolarHBondContact O-CG2 3.46Å; V2263-V2267 PolarHBondContact O-N 3.07Å; L2264-V2267 PolarHBondContact O-N 2.98Å; V2267-R2270 PolarHBondContact O-N 3.15Å; V2267-F2271 PolarHBondContact O-N 2.76Å; V2267-L2539 HydrophobicContact CG2-CB 4.14Å; V2267-L2539 HydrophobicContact CG2-CD1 4.49Å; V2267-L2539 HydrophobicContact CG2-CD2 3.9Å; V2267-L2539 HydrophobicContact CG2-CG 4.41Å; V2267-W2543 HydrophobicContact CB-CE3 4.44Å; V2267-W2543 HydrophobicContact CG1-CB 3.76Å; V2267-W2543 HydrophobicContact CG1-CD2 3.49Å; V2267-W2543 VanDerWaalsContact CG1-CD2 3.49Å; V2267-W2543 HydrophobicContact CG1-CE3 3.31Å; V2267-W2543 HydrophobicContact CG1-CG 3.72Å; V2267-W2543 HydrophobicContact CG1-CZ3 4.05Å |
| 2268 | I | 91.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 174.8 | -66.2 | 163.6 | 0 | 0 | 0 | 110.3 | L2264 Y2266 R2270 F2271 L2272 L2291 V2292 F2297 W2543 M2550 | L2264-I2268 HydrophobicContact CB-CD1 4.36Å; L2264-I2268 VanDerWaalsContact O-CB 3.28Å; L2264-I2268 WeakPolarHBondContact O-CB 3.43Å; L2264-I2268 WeakPolarHBondContact O-CD1 3.48Å; L2264-I2268 VanDerWaalsContact O-CG1 3.23Å; L2264-I2268 WeakPolarHBondContact O-CG1 3.27Å; L2264-I2268 PolarHBondContact O-N 2.72Å; Y2266-I2268 PolarHBondContact O-N 2.83Å; I2268-R2270 VanDerWaalsContact C-N 3.33Å; I2268-R2270 PolarHBondContact O-N 3.32Å; I2268-F2271 PolarHBondContact O-N 3.25Å; I2268-L2272 HydrophobicContact CG2-CD1 3.96Å; I2268-L2272 HydrophobicContact CG2-CG 4.42Å; I2268-L2272 VanDerWaalsContact O-CG 3.3Å; I2268-L2272 WeakPolarHBondContact O-CG 3.48Å; I2268-L2272 PolarHBondContact O-N 3.07Å; I2268-L2291 HydrophobicContact CG2-CB 4.21Å; I2268-L2291 HydrophobicContact CG2-CD1 4.27Å; I2268-V2292 HydrophobicContact CB-CG2 4.26Å; I2268-V2292 HydrophobicContact CD1-CG2 3.97Å; I2268-V2292 HydrophobicContact CG2-CG2 4.11Å; I2268-F2297 HydrophobicContact CD1-CZ 4.46Å; I2268-W2543 HydrophobicContact CG1-CH2 4.16Å; I2268-W2543 HydrophobicContact CG1-CZ3 3.85Å; I2268-M2550 HydrophobicContact CD1-CE 3.7Å; I2268-M2550 HydrophobicContact CD1-SD 4.01Å; I2268-M2550 HydrophobicContact CG1-CE 4.46Å |
| 2269 | T | 91.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 112 | T1972 I1973 D2265 Y2266 L2272 Y2273 R2288 | T1972-T2269 HydrophobicContact CG2-CG2 3.96Å; I1973-T2269 HydrophobicContact CD1-CG2 4.06Å; D2265-T2269 WeakPolarHBondContact O-CB 3.46Å; D2265-T2269 PolarHBondContact O-N 3.27Å; D2265-T2269 PolarHBondContact O-OG1 3.2Å; Y2266-T2269 PolarHBondContact O-N 3.07Å; T2269-L2272 PolarHBondContact O-N 3.13Å; T2269-Y2273 VanDerWaalsContact O-CB 3.31Å; T2269-Y2273 WeakPolarHBondContact O-CB 3.46Å; T2269-Y2273 PolarHBondContact O-N 2.98Å; T2269-R2288 VanDerWaalsContact OG1-CD 3.27Å; T2269-R2288 WeakPolarHBondContact OG1-CD 3.3Å; T2269-R2288 PolarHBondContact OG1-NE 2.92Å |
| 2270 | R | 91 | Very high | 88 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 174.3 | -177.9 | -180 | 169 | -147.8 | -16.5 | 111.4 | I1973 Y2266 V2267 I2268 L2272 Y2273 E2274 D2540 | I1973-R2270 HydrophobicContact CD1-CB 4.02Å; Y2266-R2270 HydrophobicContact CE2-CB 4.42Å; Y2266-R2270 WeakPolarHBondContact O-CB 3.45Å; Y2266-R2270 PolarHBondContact O-N 3.35Å; V2267-R2270 PolarHBondContact O-N 3.15Å; I2268-R2270 VanDerWaalsContact C-N 3.33Å; I2268-R2270 PolarHBondContact O-N 3.32Å; R2270-L2272 VanDerWaalsContact C-N 3.35Å; R2270-L2272 PolarHBondContact O-N 3.46Å; R2270-Y2273 PolarHBondContact O-N 3.07Å; R2270-Y2273 VanDerWaalsContact O-N 3.15Å; R2270-E2274 HydrophobicContact CG-CG 4.45Å; R2270-E2274 VanDerWaalsContact CG-OE1 3.29Å; R2270-E2274 WeakPolarHBondContact CG-OE1 3.45Å; R2270-E2274 IonicContact CZ-OE1 3.22Å; R2270-E2274 IonicContact NE-OE1 2.73Å; R2270-E2274 PolarHBondContact NE-OE1 2.95Å; R2270-E2274 IonicContact NE-OE2 2.79Å; R2270-E2274 IonicContact NH2-OE1 3.85Å; R2270-E2274 PolarHBondContact NH2-OE1 3.12Å; R2270-E2274 IonicContact NH2-OE2 3.61Å; R2270-E2274 WeakPolarHBondContact O-CB 3.32Å; R2270-E2274 WeakPolarHBondContact O-CG 3.48Å; R2270-E2274 PolarHBondContact O-N 3.26Å; R2270-D2540 IonicContact NH1-OD1 3.55Å |
| 2271 | F | 90 | Very high | 87.3 | Confident | 49 Ų | 49 | 36 Ų | 36 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 177 | 177.5 | -95 | 0 | 0 | 0 | 112.4 | V2267 I2268 Y2273 E2274 D2275 W2543 Y2547 I2554 | V2267-F2271 PolarHBondContact O-N 2.76Å; I2268-F2271 PolarHBondContact O-N 3.25Å; F2271-Y2273 VanDerWaalsContact C-N 3.32Å; F2271-Y2273 PolarHBondContact O-N 2.75Å; F2271-E2274 PolarHBondContact O-N 3.36Å; F2271-D2275 PolarHBondContact O-N 3.38Å; F2271-W2543 HydrophobicContact CB-CH2 4.26Å; F2271-W2543 HydrophobicContact CB-CZ2 3.65Å; F2271-W2543 AromaticContact CD1-CZ2 3.98Å; F2271-W2543 HydrophobicContact CD1-CZ2 3.98Å; F2271-W2543 AromaticContact CD2-CZ2 3.67Å; F2271-W2543 HydrophobicContact CD2-CZ2 3.67Å; F2271-W2543 AromaticContact CD2-NE1 3.8Å; F2271-W2543 HydrophobicContact CE2-CZ2 4.31Å; F2271-W2543 HydrophobicContact CG-CH2 4.31Å; F2271-W2543 AromaticContact CG-CZ2 3.48Å; F2271-W2543 HydrophobicContact CG-CZ2 3.48Å; F2271-W2543 VanDerWaalsContact CG-CZ2 3.48Å; F2271-Y2547 HydrophobicContact CE2-CE2 4.13Å; F2271-Y2547 AromaticContact CZ-CE2 3.93Å; F2271-Y2547 HydrophobicContact CZ-CE2 3.93Å; F2271-I2554 HydrophobicContact CD1-CG2 4.45Å; F2271-I2554 HydrophobicContact CE1-CG2 3.72Å |
| 2272 | L | 88.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | 176.8 | -68.5 | 172.2 | 0 | 0 | 0 | 113 | I2268 T2269 R2270 L2284 L2287 L2291 | I2268-L2272 HydrophobicContact CG2-CD1 3.96Å; I2268-L2272 HydrophobicContact CG2-CG 4.42Å; I2268-L2272 VanDerWaalsContact O-CG 3.3Å; I2268-L2272 WeakPolarHBondContact O-CG 3.48Å; I2268-L2272 PolarHBondContact O-N 3.07Å; T2269-L2272 PolarHBondContact O-N 3.13Å; R2270-L2272 VanDerWaalsContact C-N 3.35Å; R2270-L2272 PolarHBondContact O-N 3.46Å; L2272-L2284 HydrophobicContact CB-CD2 3.86Å; L2272-L2284 VanDerWaalsContact O-CD2 3.27Å; L2272-L2284 WeakPolarHBondContact O-CD2 3.35Å; L2272-L2287 HydrophobicContact CD1-CB 3.91Å; L2272-L2287 HydrophobicContact CD2-CB 4.2Å; L2272-L2287 HydrophobicContact CD2-CD1 4.07Å; L2272-L2291 HydrophobicContact CD1-CD1 4.22Å; L2272-L2291 HydrophobicContact CD2-CD1 4.2Å |
| 2273 | Y | 88.8 | Confident | 85.8 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 17% | 0.169 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.7 | -38.7 | 177.1 | -176.9 | -82.7 | 0 | 0 | 0 | 112.3 | R1969 I1973 T2141 T2269 R2270 F2271 | R1969-Y2273 HydrophobicContact CB-CE2 4.09Å; R1969-Y2273 PolarHBondContact NH2-O 2.84Å; R1969-Y2273 VanDerWaalsContact O-CE2 3.3Å; R1969-Y2273 WeakPolarHBondContact O-CE2 3.37Å; I1973-Y2273 HydrophobicContact CB-CD2 4Å; I1973-Y2273 HydrophobicContact CB-CE2 4.38Å; I1973-Y2273 HydrophobicContact CB-CG 4.36Å; I1973-Y2273 HydrophobicContact CG1-CG 4.49Å; I1973-Y2273 HydrophobicContact CG2-CD2 3.98Å; I1973-Y2273 HydrophobicContact CG2-CE2 3.84Å; T2141-Y2273 HydrophobicContact CG2-CD1 4.38Å; T2141-Y2273 HydrophobicContact CG2-CE1 3.61Å; T2269-Y2273 VanDerWaalsContact O-CB 3.31Å; T2269-Y2273 WeakPolarHBondContact O-CB 3.46Å; T2269-Y2273 PolarHBondContact O-N 2.98Å; R2270-Y2273 PolarHBondContact O-N 3.07Å; R2270-Y2273 VanDerWaalsContact O-N 3.15Å; F2271-Y2273 VanDerWaalsContact C-N 3.32Å; F2271-Y2273 PolarHBondContact O-N 2.75Å |
| 2274 | E | 87.2 | Confident | 85.2 | Confident | 99 Ų | 99 | 35.4 Ų | 35.4 | 46% | 0.463 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -80.2 | -8.4 | -179.1 | -69.8 | 176.7 | -170.7 | 0 | 0 | 113.8 | R2270 F2271 S2276 | R2270-E2274 HydrophobicContact CG-CG 4.45Å; R2270-E2274 VanDerWaalsContact CG-OE1 3.29Å; R2270-E2274 WeakPolarHBondContact CG-OE1 3.45Å; R2270-E2274 IonicContact CZ-OE1 3.22Å; R2270-E2274 IonicContact NE-OE1 2.73Å; R2270-E2274 PolarHBondContact NE-OE1 2.95Å; R2270-E2274 IonicContact NE-OE2 2.79Å; R2270-E2274 IonicContact NH2-OE1 3.85Å; R2270-E2274 PolarHBondContact NH2-OE1 3.12Å; R2270-E2274 IonicContact NH2-OE2 3.61Å; R2270-E2274 WeakPolarHBondContact O-CB 3.32Å; R2270-E2274 WeakPolarHBondContact O-CG 3.48Å; R2270-E2274 PolarHBondContact O-N 3.26Å; F2271-E2274 PolarHBondContact O-N 3.36Å; E2274-S2276 PolarHBondContact O-N 3.11Å |
| 2275 | D | 85 | Confident | 84.6 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | trans | -57.6 | 129.3 | 177.6 | -178.1 | -2.4 | 0 | 0 | 0 | 112.4 | F2271 K2277 Q2278 H2279 | F2271-D2275 PolarHBondContact O-N 3.38Å; D2275-K2277 PolarHBondContact O-N 3.05Å; D2275-K2277 PolarHBondContact OD1-N 3.31Å; D2275-Q2278 WeakPolarHBondContact O-CA 3.19Å; D2275-Q2278 WeakPolarHBondContact O-CG 3.48Å; D2275-Q2278 PolarHBondContact O-N 3.05Å; D2275-H2279 IonicContact OD2-CD2 2.71Å; D2275-H2279 IonicContact OD2-CE1 2.83Å; D2275-H2279 IonicContact OD2-NE2 3.17Å; D2275-H2279 PolarHBondContact OD2-NE2 3.01Å | ||
| 2276 | S | 75.8 | Confident | 84 | Confident | 113 Ų | 113 | 38.4 Ų | 38.4 | 79% | 0.79 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -37.9 | -34.2 | 165.7 | 66 | 0 | 0 | 0 | 0 | 116.4 | E2274 Q2278 | E2274-S2276 PolarHBondContact O-N 3.11Å; S2276-Q2278 PolarHBondContact O-N 3.3Å |
| 2277 | K | 75.7 | Confident | 83.6 | Confident | 121 Ų | 121 | 38.1 Ų | 38.1 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.9 | 177.3 | -70.1 | 176.4 | 172.5 | 173.8 | 0 | 113 | D2275 H2279 T2558 | D2275-K2277 PolarHBondContact O-N 3.05Å; D2275-K2277 PolarHBondContact OD1-N 3.31Å; K2277-H2279 PolarHBondContact O-N 3.26Å; K2277-T2558 HydrophobicContact CD-CG2 4.05Å; K2277-T2558 PolarHBondContact NZ-O 3.27Å |
| 2278 | Q | 78.2 | Confident | 83.2 | Confident | 77 Ų | 77 | 39.2 Ų | 39.2 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | trans | 45.3 | 59.3 | -178.9 | -66.9 | -146.9 | 60.4 | 0 | 0 | 113.9 | H1603 D2275 S2276 | H1603-Q2278 PolarHBondContact CE1-OE1 3.49Å; D2275-Q2278 WeakPolarHBondContact O-CA 3.19Å; D2275-Q2278 WeakPolarHBondContact O-CG 3.48Å; D2275-Q2278 PolarHBondContact O-N 3.05Å; S2276-Q2278 PolarHBondContact O-N 3.3Å | ||
| 2279 | H | 80 | Confident | 82.6 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | trans | -46.7 | 144.8 | -178.5 | -59.3 | -71.4 | 0 | 0 | 0 | 113.8 | R1969 D2275 K2277 V2283 L2284 | R1969-H2279 PolarHBondContact NE-O 3.12Å; D2275-H2279 IonicContact OD2-CD2 2.71Å; D2275-H2279 IonicContact OD2-CE1 2.83Å; D2275-H2279 IonicContact OD2-NE2 3.17Å; D2275-H2279 PolarHBondContact OD2-NE2 3.01Å; K2277-H2279 PolarHBondContact O-N 3.26Å; H2279-V2283 HydrophobicContact CB-CB 4.2Å; H2279-V2283 HydrophobicContact CB-CG1 3.87Å; H2279-L2284 HydrophobicContact CB-CD2 3.76Å; H2279-L2284 HydrophobicContact CB-CG 3.83Å | ||
| 2280 | S | 79.8 | Confident | 82.1 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 43% | 0.434 | 23% | 0.231 | S | C | . | . | trans | -60.7 | 151.8 | 172.5 | 76 | 0 | 0 | 0 | 0 | 110.6 | G2282 V2283 L2284 | S2280-G2282 PolarHBondContact O-N 2.94Å; S2280-G2282 VanDerWaalsContact O-N 3.13Å; S2280-V2283 PolarHBondContact O-N 3.33Å; S2280-V2283 WeakPolarHBondContact OG-CG2 3.46Å; S2280-V2283 PolarHBondContact OG-N 3.21Å; S2280-L2284 PolarHBondContact O-N 3.02Å | ||
| 2281 | P | 76.8 | Confident | 81.9 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -31.2 | 179.3 | 22.7 | -32.5 | 0 | 0 | 0 | 112.3 | E1968 R1969 T2285 | E1968-P2281 HydrophobicContact CB-CB 3.49Å; E1968-P2281 VanDerWaalsContact CB-CB 3.49Å; E1968-P2281 HydrophobicContact CB-CG 3.81Å; E1968-P2281 WeakPolarHBondContact OE2-CG 3.47Å; R1969-P2281 HydrophobicContact CG-CB 3.88Å; R1969-P2281 HydrophobicContact CG-CG 4.2Å; P2281-T2285 WeakPolarHBondContact O-CB 3.16Å; P2281-T2285 PolarHBondContact O-N 3.38Å; P2281-T2285 PolarHBondContact O-OG1 3.5Å |
| 2282 | G | 74.6 | Confident | 81.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.4 | -55 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2280 T2285 D2286 R2567 | S2280-G2282 PolarHBondContact O-N 2.94Å; S2280-G2282 VanDerWaalsContact O-N 3.13Å; G2282-T2285 PolarHBondContact O-N 3.11Å; G2282-D2286 PolarHBondContact O-N 2.95Å; G2282-D2286 VanDerWaalsContact O-N 3.13Å; G2282-R2567 PolarHBondContact O-NH1 3.01Å |
| 2283 | V | 80.8 | Confident | 81.3 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 179.5 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | H2279 S2280 T2285 D2286 L2287 I2561 | H2279-V2283 HydrophobicContact CB-CB 4.2Å; H2279-V2283 HydrophobicContact CB-CG1 3.87Å; S2280-V2283 PolarHBondContact O-N 3.33Å; S2280-V2283 WeakPolarHBondContact OG-CG2 3.46Å; S2280-V2283 PolarHBondContact OG-N 3.21Å; V2283-T2285 VanDerWaalsContact C-N 3.3Å; V2283-T2285 PolarHBondContact O-N 3.24Å; V2283-D2286 PolarHBondContact O-N 2.81Å; V2283-L2287 HydrophobicContact CG1-CD1 3.63Å; V2283-L2287 HydrophobicContact CG1-CG 4.01Å; V2283-L2287 WeakPolarHBondContact O-CB 3.31Å; V2283-L2287 WeakPolarHBondContact O-CG 3.18Å; V2283-L2287 PolarHBondContact O-N 3.02Å; V2283-I2561 HydrophobicContact CG1-CD1 3.58Å; V2283-I2561 HydrophobicContact CG1-CG1 4.07Å; V2283-I2561 HydrophobicContact CG1-CG2 4.15Å; V2283-I2561 HydrophobicContact CG2-CD1 4.06Å |
| 2284 | L | 83.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 173.6 | -71.2 | 174.3 | 0 | 0 | 0 | 111.9 | R1969 L2272 H2279 S2280 R2288 | R1969-L2284 HydrophobicContact CG-CD1 4.04Å; L2272-L2284 HydrophobicContact CB-CD2 3.86Å; L2272-L2284 VanDerWaalsContact O-CD2 3.27Å; L2272-L2284 WeakPolarHBondContact O-CD2 3.35Å; H2279-L2284 HydrophobicContact CB-CD2 3.76Å; H2279-L2284 HydrophobicContact CB-CG 3.83Å; S2280-L2284 PolarHBondContact O-N 3.02Å; L2284-R2288 WeakPolarHBondContact O-CB 3.44Å; L2284-R2288 PolarHBondContact O-N 2.84Å |
| 2285 | T | 79.9 | Confident | 80.9 | Confident | 65 Ų | 65 | 43 Ų | 43 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | P2281 G2282 V2283 S2289 | P2281-T2285 WeakPolarHBondContact O-CB 3.16Å; P2281-T2285 PolarHBondContact O-N 3.38Å; P2281-T2285 PolarHBondContact O-OG1 3.5Å; G2282-T2285 PolarHBondContact O-N 3.11Å; V2283-T2285 VanDerWaalsContact C-N 3.3Å; V2283-T2285 PolarHBondContact O-N 3.24Å; T2285-S2289 VanDerWaalsContact O-CB 3.23Å; T2285-S2289 WeakPolarHBondContact O-CB 3.49Å; T2285-S2289 PolarHBondContact O-N 3.49Å; T2285-S2289 PolarHBondContact O-OG 3.44Å |
| 2286 | D | 79.9 | Confident | 81 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -45.3 | 177.8 | -67.9 | -15.8 | 0 | 0 | 0 | 111.4 | G2282 V2283 S2289 A2290 I2561 R2567 | G2282-D2286 PolarHBondContact O-N 2.95Å; G2282-D2286 VanDerWaalsContact O-N 3.13Å; V2283-D2286 PolarHBondContact O-N 2.81Å; D2286-S2289 CarbonylContact O-C 3.37Å; D2286-S2289 PolarHBondContact O-N 2.84Å; D2286-A2290 VanDerWaalsContact O-CB 3.31Å; D2286-A2290 WeakPolarHBondContact O-CB 3.46Å; D2286-A2290 PolarHBondContact O-N 3.35Å; D2286-I2561 HydrophobicContact CB-CG2 4.49Å; D2286-R2567 WeakPolarHBondContact OD1-CD 3.42Å; D2286-R2567 IonicContact OD1-CZ 3.83Å; D2286-R2567 IonicContact OD1-NE 3.54Å; D2286-R2567 IonicContact OD1-NH1 2.81Å; D2286-R2567 PolarHBondContact OD1-NH1 3.16Å; D2286-R2567 WeakPolarHBondContact OD2-CD 3.41Å; D2286-R2567 IonicContact OD2-CZ 2.69Å; D2286-R2567 IonicContact OD2-NE 3.93Å; D2286-R2567 PolarHBondContact OD2-NE 2.75Å; D2286-R2567 IonicContact OD2-NH1 3.96Å; D2286-R2567 PolarHBondContact OD2-NH1 2.92Å |
| 2287 | L | 84.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 176.9 | -71.9 | 174.8 | 0 | 0 | 0 | 112.1 | L2272 V2283 A2290 L2291 Y2557 I2561 | L2272-L2287 HydrophobicContact CD1-CB 3.91Å; L2272-L2287 HydrophobicContact CD2-CB 4.2Å; L2272-L2287 HydrophobicContact CD2-CD1 4.07Å; V2283-L2287 HydrophobicContact CG1-CD1 3.63Å; V2283-L2287 HydrophobicContact CG1-CG 4.01Å; V2283-L2287 WeakPolarHBondContact O-CB 3.31Å; V2283-L2287 WeakPolarHBondContact O-CG 3.18Å; V2283-L2287 PolarHBondContact O-N 3.02Å; L2287-A2290 PolarHBondContact O-N 2.9Å; L2287-L2291 WeakPolarHBondContact O-CB 3.34Å; L2287-L2291 WeakPolarHBondContact O-CG 3.24Å; L2287-L2291 PolarHBondContact O-N 2.64Å; L2287-Y2557 VanDerWaalsContact CD2-O 3.32Å; L2287-Y2557 WeakPolarHBondContact CD2-O 3.48Å; L2287-I2561 HydrophobicContact CD2-CG1 4.3Å; L2287-I2561 HydrophobicContact CD2-CG2 4.3Å; L2287-I2561 HydrophobicContact CG-CG2 4.46Å |
| 2288 | R | 84 | Confident | 82.3 | Confident | 35 Ų | 35 | 31 Ų | 31 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 172.3 | -178.5 | -178.2 | 175.2 | -163.8 | -0.1 | 110.5 | D1975 D2265 T2269 L2284 A2290 V2292 | D1975-R2288 IonicContact OD2-CZ 3.44Å; D1975-R2288 VanDerWaalsContact OD2-CZ 3.27Å; D1975-R2288 IonicContact OD2-NH1 2.75Å; D1975-R2288 PolarHBondContact OD2-NH1 3.39Å; D1975-R2288 IonicContact OD2-NH2 2.89Å; D1975-R2288 PolarHBondContact OD2-NH2 3.09Å; D2265-R2288 IonicContact OD1-CZ 3.54Å; D2265-R2288 IonicContact OD1-NE 2.65Å; D2265-R2288 PolarHBondContact OD1-NE 3.47Å; D2265-R2288 IonicContact OD1-NH2 2.71Å; D2265-R2288 PolarHBondContact OD1-NH2 3.37Å; D2265-R2288 IonicContact OD2-CZ 3.85Å; D2265-R2288 IonicContact OD2-NE 3.66Å; D2265-R2288 IonicContact OD2-NH2 2.72Å; D2265-R2288 PolarHBondContact OD2-NH2 3.22Å; T2269-R2288 VanDerWaalsContact OG1-CD 3.27Å; T2269-R2288 WeakPolarHBondContact OG1-CD 3.3Å; T2269-R2288 PolarHBondContact OG1-NE 2.92Å; L2284-R2288 WeakPolarHBondContact O-CB 3.44Å; L2284-R2288 PolarHBondContact O-N 2.84Å; R2288-A2290 PolarHBondContact O-N 3.22Å; R2288-V2292 HydrophobicContact CG-CG2 4.3Å; R2288-V2292 VanDerWaalsContact O-CB 3.26Å; R2288-V2292 WeakPolarHBondContact O-CB 3.37Å; R2288-V2292 WeakPolarHBondContact O-CG2 3.39Å; R2288-V2292 PolarHBondContact O-N 3.1Å |
| 2289 | S | 79.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 27.5 Ų | 27.5 | 40% | 0.399 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66 | -22.6 | 178.9 | -61 | 0 | 0 | 0 | 0 | 114.5 | T2285 D2286 | T2285-S2289 VanDerWaalsContact O-CB 3.23Å; T2285-S2289 WeakPolarHBondContact O-CB 3.49Å; T2285-S2289 PolarHBondContact O-N 3.49Å; T2285-S2289 PolarHBondContact O-OG 3.44Å; D2286-S2289 CarbonylContact O-C 3.37Å; D2286-S2289 PolarHBondContact O-N 2.84Å |
| 2290 | A | 81.2 | Confident | 83.1 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 12% | 0.124 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -85.6 | -47.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D2286 L2287 R2288 N2293 I2296 Y2557 P2562 | D2286-A2290 VanDerWaalsContact O-CB 3.31Å; D2286-A2290 WeakPolarHBondContact O-CB 3.46Å; D2286-A2290 PolarHBondContact O-N 3.35Å; L2287-A2290 PolarHBondContact O-N 2.9Å; R2288-A2290 PolarHBondContact O-N 3.22Å; A2290-N2293 WeakPolarHBondContact O-CB 3.41Å; A2290-I2296 WeakPolarHBondContact O-CD1 3.48Å; A2290-Y2557 HydrophobicContact CB-CD2 4.18Å; A2290-Y2557 HydrophobicContact CB-CE2 4.4Å; A2290-P2562 HydrophobicContact CB-CG 3.54Å |
| 2291 | L | 85.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.3 | -42 | -177.5 | -69.9 | 167.2 | 0 | 0 | 0 | 112.8 | I2268 L2272 L2287 N2293 R2553 I2554 Y2557 | I2268-L2291 HydrophobicContact CG2-CB 4.21Å; I2268-L2291 HydrophobicContact CG2-CD1 4.27Å; L2272-L2291 HydrophobicContact CD1-CD1 4.22Å; L2272-L2291 HydrophobicContact CD2-CD1 4.2Å; L2287-L2291 WeakPolarHBondContact O-CB 3.34Å; L2287-L2291 WeakPolarHBondContact O-CG 3.24Å; L2287-L2291 PolarHBondContact O-N 2.64Å; L2291-N2293 PolarHBondContact O-N 2.88Å; L2291-N2293 VanDerWaalsContact O-N 3.13Å; L2291-R2553 HydrophobicContact CD2-CB 4.47Å; L2291-I2554 HydrophobicContact CD1-CG1 4.18Å; L2291-I2554 HydrophobicContact CD2-CG1 3.94Å; L2291-Y2557 HydrophobicContact CD2-CD2 3.64Å; L2291-Y2557 HydrophobicContact CD2-CE2 4.17Å; L2291-Y2557 HydrophobicContact CG-CD2 4.06Å |
| 2292 | V | 84.3 | Confident | 84.2 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -86.2 | 79.9 | 177.1 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | D2265 I2268 R2288 F2297 | D2265-V2292 HydrophobicContact CB-CG1 4.29Å; I2268-V2292 HydrophobicContact CB-CG2 4.26Å; I2268-V2292 HydrophobicContact CD1-CG2 3.97Å; I2268-V2292 HydrophobicContact CG2-CG2 4.11Å; R2288-V2292 HydrophobicContact CG-CG2 4.3Å; R2288-V2292 VanDerWaalsContact O-CB 3.26Å; R2288-V2292 WeakPolarHBondContact O-CB 3.37Å; R2288-V2292 WeakPolarHBondContact O-CG2 3.39Å; R2288-V2292 PolarHBondContact O-N 3.1Å; V2292-F2297 HydrophobicContact CG1-CE2 4.26Å; V2292-F2297 HydrophobicContact CG1-CZ 4.21Å |
| 2293 | N | 82.1 | Confident | 84.7 | Confident | 48 Ų | 48 | 31.4 Ų | 31.4 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | trans | -150.3 | 126.6 | -170.9 | 179.4 | -13.3 | 0 | 0 | 0 | 110.8 | A2290 L2291 N2295 I2296 F2297 | A2290-N2293 WeakPolarHBondContact O-CB 3.41Å; L2291-N2293 PolarHBondContact O-N 2.88Å; L2291-N2293 VanDerWaalsContact O-N 3.13Å; N2293-N2295 PolarHBondContact O-N 3.39Å; N2293-N2295 VanDerWaalsContact O-N 3.08Å; N2293-N2295 WeakPolarHBondContact OD1-CB 3.27Å; N2293-N2295 PolarHBondContact OD1-N 3.1Å; N2293-I2296 HydrophobicContact CB-CG1 4.29Å; N2293-I2296 WeakPolarHBondContact O-CA 3.47Å; N2293-I2296 WeakPolarHBondContact O-CB 3.31Å; N2293-I2296 PolarHBondContact O-N 2.9Å; N2293-F2297 PolarHBondContact O-N 3.48Å; N2293-F2297 VanDerWaalsContact O-N 3.14Å | ||
| 2294 | N | 84.5 | Confident | 84.9 | Confident | 74 Ų | 74 | 32.5 Ų | 32.5 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.1 | -28.5 | -176.5 | -51 | 86.1 | 0 | 0 | 0 | 113.5 | I2296 A2298 S2521 | N2294-I2296 VanDerWaalsContact C-N 3.26Å; N2294-I2296 PolarHBondContact O-N 3.08Å; N2294-A2298 WeakPolarHBondContact O-CB 3.08Å; N2294-A2298 PolarHBondContact O-N 3.32Å; N2294-S2521 WeakPolarHBondContact CA-OG 3.42Å; N2294-S2521 VanDerWaalsContact CB-OG 3.28Å; N2294-S2521 WeakPolarHBondContact CB-OG 3.4Å; N2294-S2521 PolarHBondContact ND2-OG 3.5Å |
| 2295 | N | 84.4 | Confident | 85.1 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 175.7 | -62.9 | 5.5 | 0 | 0 | 0 | 112 | N2293 A2299 I2516 | N2293-N2295 PolarHBondContact O-N 3.39Å; N2293-N2295 VanDerWaalsContact O-N 3.08Å; N2293-N2295 WeakPolarHBondContact OD1-CB 3.27Å; N2293-N2295 PolarHBondContact OD1-N 3.1Å; N2295-A2299 WeakPolarHBondContact O-CB 3.5Å; N2295-A2299 PolarHBondContact O-N 3.38Å; N2295-I2516 HydrophobicContact CB-CD1 3.85Å; N2295-I2516 WeakPolarHBondContact OD1-CD1 3.41Å |
| 2296 | I | 86.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.2 | -48 | 178.7 | -61.4 | -160.9 | 0 | 0 | 0 | 110.3 | A2290 N2293 N2294 A2298 A2299 L2300 Y2557 | A2290-I2296 WeakPolarHBondContact O-CD1 3.48Å; N2293-I2296 HydrophobicContact CB-CG1 4.29Å; N2293-I2296 WeakPolarHBondContact O-CA 3.47Å; N2293-I2296 WeakPolarHBondContact O-CB 3.31Å; N2293-I2296 PolarHBondContact O-N 2.9Å; N2294-I2296 VanDerWaalsContact C-N 3.26Å; N2294-I2296 PolarHBondContact O-N 3.08Å; I2296-A2298 VanDerWaalsContact C-N 3.33Å; I2296-A2298 PolarHBondContact O-N 3.04Å; I2296-A2299 PolarHBondContact O-N 3.33Å; I2296-A2299 VanDerWaalsContact O-N 3.11Å; I2296-L2300 HydrophobicContact CG2-CD1 3.87Å; I2296-L2300 HydrophobicContact CG2-CG 4.24Å; I2296-L2300 WeakPolarHBondContact O-CG 3.44Å; I2296-L2300 PolarHBondContact O-N 3.37Å; I2296-Y2557 HydrophobicContact CD1-CE2 3.61Å |
| 2297 | F | 90.6 | Very high | 85.9 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 178.2 | -60.1 | -28.9 | 0 | 0 | 0 | 111.7 | L2264 I2268 V2292 N2293 A2299 L2300 A2301 S2521 F2524 E2525 M2550 | L2264-F2297 HydrophobicContact CD1-CE2 4.48Å; L2264-F2297 HydrophobicContact CD1-CZ 4.27Å; I2268-F2297 HydrophobicContact CD1-CZ 4.46Å; V2292-F2297 HydrophobicContact CG1-CE2 4.26Å; V2292-F2297 HydrophobicContact CG1-CZ 4.21Å; N2293-F2297 PolarHBondContact O-N 3.48Å; N2293-F2297 VanDerWaalsContact O-N 3.14Å; F2297-A2299 PolarHBondContact O-N 3.16Å; F2297-L2300 PolarHBondContact O-N 3.48Å; F2297-A2301 VanDerWaalsContact O-CB 3.28Å; F2297-A2301 WeakPolarHBondContact O-CB 3.3Å; F2297-A2301 PolarHBondContact O-N 3.26Å; F2297-S2521 WeakPolarHBondContact CB-OG 3.37Å; F2297-F2524 HydrophobicContact CB-CB 4.18Å; F2297-F2524 HydrophobicContact CB-CD1 3.74Å; F2297-F2524 HydrophobicContact CB-CE1 4.35Å; F2297-F2524 HydrophobicContact CB-CG 4.08Å; F2297-F2524 AromaticContact CD1-CD1 3.57Å; F2297-F2524 HydrophobicContact CD1-CD1 3.57Å; F2297-F2524 AromaticContact CD1-CE1 3.37Å; F2297-F2524 HydrophobicContact CD1-CE1 3.37Å; F2297-F2524 HydrophobicContact CD1-CZ 4.27Å; F2297-F2524 HydrophobicContact CD2-CD1 4.45Å; F2297-F2524 HydrophobicContact CE1-CD1 4.26Å; F2297-F2524 AromaticContact CE1-CE1 3.83Å; F2297-F2524 HydrophobicContact CE1-CE1 3.83Å; F2297-F2524 AromaticContact CG-CD1 3.68Å; F2297-F2524 HydrophobicContact CG-CD1 3.68Å; F2297-F2524 HydrophobicContact CG-CE1 4Å; F2297-E2525 HydrophobicContact CD2-CG 4.2Å; F2297-E2525 WeakPolarHBondContact CD2-OE1 3.23Å; F2297-E2525 HydrophobicContact CE2-CG 4.41Å; F2297-M2550 HydrophobicContact CE1-CE 4.02Å; F2297-M2550 HydrophobicContact CE1-SD 4.43Å |
| 2298 | A | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | N2294 I2296 A2301 V2302 F2324 I2516 L2520 | N2294-A2298 WeakPolarHBondContact O-CB 3.08Å; N2294-A2298 PolarHBondContact O-N 3.32Å; I2296-A2298 VanDerWaalsContact C-N 3.33Å; I2296-A2298 PolarHBondContact O-N 3.04Å; A2298-A2301 PolarHBondContact O-N 3.32Å; A2298-V2302 WeakPolarHBondContact O-CG2 3.4Å; A2298-V2302 PolarHBondContact O-N 3.17Å; A2298-F2324 HydrophobicContact CB-CE1 4.01Å; A2298-F2324 HydrophobicContact CB-CZ 4.19Å; A2298-I2516 HydrophobicContact CB-CG2 3.89Å; A2298-L2520 HydrophobicContact CB-CB 3.88Å |
| 2299 | A | 87.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2295 I2296 F2297 V2302 R2303 | N2295-A2299 WeakPolarHBondContact O-CB 3.5Å; N2295-A2299 PolarHBondContact O-N 3.38Å; I2296-A2299 PolarHBondContact O-N 3.33Å; I2296-A2299 VanDerWaalsContact O-N 3.11Å; F2297-A2299 PolarHBondContact O-N 3.16Å; A2299-V2302 PolarHBondContact O-N 2.96Å; A2299-R2303 PolarHBondContact O-N 3.31Å |
| 2300 | L | 88.4 | Confident | 86.2 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.1 | -68.1 | 173.9 | 0 | 0 | 0 | 111.1 | I2296 F2297 V2302 R2303 I2304 F2524 I2549 M2550 | I2296-L2300 HydrophobicContact CG2-CD1 3.87Å; I2296-L2300 HydrophobicContact CG2-CG 4.24Å; I2296-L2300 WeakPolarHBondContact O-CG 3.44Å; I2296-L2300 PolarHBondContact O-N 3.37Å; F2297-L2300 PolarHBondContact O-N 3.48Å; L2300-V2302 PolarHBondContact O-N 3.39Å; L2300-R2303 PolarHBondContact O-N 2.9Å; L2300-I2304 HydrophobicContact CB-CD1 4.43Å; L2300-I2304 VanDerWaalsContact O-CD1 3.27Å; L2300-I2304 WeakPolarHBondContact O-CD1 3.48Å; L2300-I2304 WeakPolarHBondContact O-CG1 3.36Å; L2300-I2304 PolarHBondContact O-N 3.35Å; L2300-F2524 HydrophobicContact CB-CD2 4.41Å; L2300-F2524 HydrophobicContact CB-CE2 3.85Å; L2300-F2524 HydrophobicContact CB-CZ 4.3Å; L2300-F2524 HydrophobicContact CD1-CE2 4.29Å; L2300-F2524 HydrophobicContact CD1-CZ 3.9Å; L2300-I2549 HydrophobicContact CD1-CG2 4.47Å; L2300-I2549 HydrophobicContact CD2-CG2 4.43Å; L2300-M2550 HydrophobicContact CD1-CG 3.92Å |
| 2301 | A | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -31.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F2297 A2298 G2305 L2306 L2520 | F2297-A2301 VanDerWaalsContact O-CB 3.28Å; F2297-A2301 WeakPolarHBondContact O-CB 3.3Å; F2297-A2301 PolarHBondContact O-N 3.26Å; A2298-A2301 PolarHBondContact O-N 3.32Å; A2301-G2305 PolarHBondContact O-N 3.3Å; A2301-L2306 HydrophobicContact CB-CB 4.2Å; A2301-L2306 HydrophobicContact CB-CD1 3.95Å; A2301-L2306 HydrophobicContact CB-CG 4.29Å; A2301-L2306 WeakPolarHBondContact O-CB 3.37Å; A2301-L2306 PolarHBondContact O-N 3Å; A2301-L2520 HydrophobicContact CB-CB 4.33Å; A2301-L2520 WeakPolarHBondContact CB-O 3.34Å |
| 2302 | V | 89.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.8 | -48.9 | 168.6 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | A2298 A2299 L2300 I2304 G2305 H2307 F2324 V2325 Q2328 L2520 | A2298-V2302 WeakPolarHBondContact O-CG2 3.4Å; A2298-V2302 PolarHBondContact O-N 3.17Å; A2299-V2302 PolarHBondContact O-N 2.96Å; L2300-V2302 PolarHBondContact O-N 3.39Å; V2302-I2304 PolarHBondContact O-N 3.05Å; V2302-G2305 WeakPolarHBondContact O-CA 3.37Å; V2302-G2305 PolarHBondContact O-N 2.92Å; V2302-H2307 PolarHBondContact O-CE1 3.43Å; V2302-H2307 VanDerWaalsContact O-CE1 3.27Å; V2302-H2307 PolarHBondContact O-ND1 2.85Å; V2302-F2324 HydrophobicContact CG2-CD1 3.71Å; V2302-F2324 HydrophobicContact CG2-CE1 3.75Å; V2302-V2325 HydrophobicContact CG1-CB 4.48Å; V2302-V2325 HydrophobicContact CG1-CG1 4.48Å; V2302-V2325 HydrophobicContact CG1-CG2 4.07Å; V2302-V2325 HydrophobicContact CG2-CG2 3.86Å; V2302-Q2328 HydrophobicContact CB-CB 4.49Å; V2302-Q2328 HydrophobicContact CB-CG 4.34Å; V2302-Q2328 HydrophobicContact CG1-CB 3.81Å; V2302-Q2328 HydrophobicContact CG1-CG 4.16Å; V2302-Q2328 HydrophobicContact CG2-CG 4.49Å; V2302-L2520 HydrophobicContact CG2-CD1 3.69Å |
| 2303 | R | 84.8 | Confident | 85 | Confident | 170 Ų | 170 | 28 Ų | 28 | 64% | 0.642 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -64.4 | -38.1 | -175.3 | -172.4 | 168.2 | 172.3 | -178.4 | -12.1 | 113.7 | A2299 L2300 G2305 E2552 | A2299-R2303 PolarHBondContact O-N 3.31Å; L2300-R2303 PolarHBondContact O-N 2.9Å; R2303-G2305 VanDerWaalsContact C-N 3.3Å; R2303-E2552 IonicContact CZ-OE1 3.06Å; R2303-E2552 IonicContact CZ-OE2 3.52Å; R2303-E2552 IonicContact NH1-OE1 2.67Å; R2303-E2552 PolarHBondContact NH1-OE1 3Å; R2303-E2552 IonicContact NH1-OE2 2.89Å; R2303-E2552 PolarHBondContact NH1-OE2 3.16Å; R2303-E2552 IonicContact NH2-OE1 3.27Å; R2303-E2552 IonicContact NH2-OE2 3.64Å; R2303-E2552 PolarHBondContact NH2-OE2 3.41Å |
| 2304 | I | 85.7 | Confident | 84.6 | Confident | 47 Ų | 47 | 25.9 Ų | 25.9 | 24% | 0.241 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.9 | -28.2 | 172.8 | -53.2 | 150.6 | 0 | 0 | 0 | 110.9 | L2300 V2302 L2306 F2524 I2549 | L2300-I2304 HydrophobicContact CB-CD1 4.43Å; L2300-I2304 VanDerWaalsContact O-CD1 3.27Å; L2300-I2304 WeakPolarHBondContact O-CD1 3.48Å; L2300-I2304 WeakPolarHBondContact O-CG1 3.36Å; L2300-I2304 PolarHBondContact O-N 3.35Å; V2302-I2304 PolarHBondContact O-N 3.05Å; I2304-L2306 HydrophobicContact CB-CD2 4.15Å; I2304-L2306 HydrophobicContact CB-CG 4.14Å; I2304-L2306 HydrophobicContact CD1-CD1 4.29Å; I2304-L2306 HydrophobicContact CD1-CG 4.35Å; I2304-L2306 HydrophobicContact CG2-CD2 3.66Å; I2304-L2306 HydrophobicContact CG2-CG 4.22Å; I2304-F2524 HydrophobicContact CD1-CD2 4.24Å; I2304-F2524 HydrophobicContact CD1-CE2 3.85Å; I2304-I2549 HydrophobicContact CD1-CD1 4.14Å; I2304-I2549 HydrophobicContact CD1-CG2 3.6Å; I2304-I2549 HydrophobicContact CG1-CG2 4.1Å |
| 2305 | G | 85.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | 12.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A2301 V2302 R2303 H2307 K2308 | A2301-G2305 PolarHBondContact O-N 3.3Å; V2302-G2305 WeakPolarHBondContact O-CA 3.37Å; V2302-G2305 PolarHBondContact O-N 2.92Å; R2303-G2305 VanDerWaalsContact C-N 3.3Å; G2305-H2307 PolarHBondContact O-N 2.91Å; G2305-H2307 VanDerWaalsContact O-N 3.12Å; G2305-K2308 WeakPolarHBondContact O-CB 3.18Å; G2305-K2308 WeakPolarHBondContact O-CG 3.31Å; G2305-K2308 PolarHBondContact O-N 3.16Å |
| 2306 | L | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -53.3 | -35.1 | -178.9 | -53.9 | -169.9 | 0 | 0 | 0 | 112.5 | L2203 F2221 A2301 I2304 K2308 Y2309 F2310 I2523 F2524 L2527 | L2203-L2306 HydrophobicContact CD1-CD2 3.63Å; F2221-L2306 HydrophobicContact CE1-CB 4.01Å; F2221-L2306 HydrophobicContact CZ-CB 4.32Å; F2221-L2306 HydrophobicContact CZ-CD2 4.21Å; A2301-L2306 HydrophobicContact CB-CB 4.2Å; A2301-L2306 HydrophobicContact CB-CD1 3.95Å; A2301-L2306 HydrophobicContact CB-CG 4.29Å; A2301-L2306 WeakPolarHBondContact O-CB 3.37Å; A2301-L2306 PolarHBondContact O-N 3Å; I2304-L2306 HydrophobicContact CB-CD2 4.15Å; I2304-L2306 HydrophobicContact CB-CG 4.14Å; I2304-L2306 HydrophobicContact CD1-CD1 4.29Å; I2304-L2306 HydrophobicContact CD1-CG 4.35Å; I2304-L2306 HydrophobicContact CG2-CD2 3.66Å; I2304-L2306 HydrophobicContact CG2-CG 4.22Å; L2306-K2308 PolarHBondContact O-N 3.38Å; L2306-Y2309 PolarHBondContact O-N 3.34Å; L2306-F2310 PolarHBondContact O-N 2.94Å; L2306-I2523 HydrophobicContact CB-CD1 4.11Å; L2306-F2524 HydrophobicContact CD1-CD2 4.16Å; L2306-L2527 HydrophobicContact CD1-CD2 4.19Å; L2306-L2527 HydrophobicContact CD2-CD2 4.42Å |
| 2307 | H | 88.1 | Confident | 82.8 | Confident | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -52.9 | -26.7 | 176.4 | 65.1 | -86.5 | 0 | 0 | 0 | 114.8 | H90 V2302 G2305 Y2309 I2321 V2325 L2520 | H90-H2307 PolarHBondContact O-CD2 3.19Å; V2302-H2307 PolarHBondContact O-CE1 3.43Å; V2302-H2307 VanDerWaalsContact O-CE1 3.27Å; V2302-H2307 PolarHBondContact O-ND1 2.85Å; G2305-H2307 PolarHBondContact O-N 2.91Å; G2305-H2307 VanDerWaalsContact O-N 3.12Å; H2307-Y2309 VanDerWaalsContact C-N 3.34Å; H2307-I2321 HydrophobicContact CB-CG2 4.33Å; H2307-V2325 HydrophobicContact CB-CG2 4.38Å; H2307-L2520 HydrophobicContact CB-CD2 4Å |
| 2308 | K | 84.7 | Confident | 82.3 | Confident | 86 Ų | 86 | 22.1 Ų | 22.1 | 37% | 0.374 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -66.9 | -34.8 | 178.1 | -61.6 | 169.6 | -173.3 | 169 | 0 | 112.6 | G2305 L2306 | G2305-K2308 WeakPolarHBondContact O-CB 3.18Å; G2305-K2308 WeakPolarHBondContact O-CG 3.31Å; G2305-K2308 PolarHBondContact O-N 3.16Å; L2306-K2308 PolarHBondContact O-N 3.38Å |
| 2309 | Y | 84.6 | Confident | 81.9 | Confident | 32 Ų | 32 | 25.6 Ų | 25.6 | 13% | 0.125 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.3 | -175.7 | -50.2 | -75.5 | 0 | 0 | 0 | 112.9 | R2199 F2200 L2203 L2306 H2307 R2311 | R2199-Y2309 HydrophobicContact CB-CE1 4.21Å; R2199-Y2309 VanDerWaalsContact O-CE1 3.28Å; R2199-Y2309 WeakPolarHBondContact O-CE1 3.33Å; F2200-Y2309 HydrophobicContact CD1-CD1 4.43Å; F2200-Y2309 HydrophobicContact CE1-CG 4.5Å; L2203-Y2309 HydrophobicContact CB-CD2 4.22Å; L2203-Y2309 HydrophobicContact CB-CE1 4.39Å; L2203-Y2309 HydrophobicContact CB-CE2 3.85Å; L2203-Y2309 HydrophobicContact CD1-CD2 4.04Å; L2203-Y2309 HydrophobicContact CD1-CE2 3.85Å; L2203-Y2309 HydrophobicContact CD2-CD2 4.12Å; L2203-Y2309 HydrophobicContact CD2-CG 4.43Å; L2203-Y2309 HydrophobicContact CG-CD2 4.35Å; L2203-Y2309 HydrophobicContact CG-CE2 4.28Å; L2306-Y2309 PolarHBondContact O-N 3.34Å; H2307-Y2309 VanDerWaalsContact C-N 3.34Å; Y2309-R2311 WeakPolarHBondContact O-CG 3.11Å; Y2309-R2311 PolarHBondContact O-N 2.76Å |
| 2310 | F | 86.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | trans | -66.3 | 118 | -173.3 | 179.3 | -124.3 | 0 | 0 | 0 | 113.6 | R61 H2223 Y2253 L2306 A2312 L2317 I2321 A2519 I2523 | R61-F2310 PolarHBondContact NH1-O 3.04Å; R61-F2310 PolarHBondContact NH2-O 3.3Å; H2223-F2310 HydrophobicContact CB-CE2 3.75Å; H2223-F2310 HydrophobicContact CB-CZ 3.65Å; H2223-F2310 AromaticContact CG-CZ 3.99Å; Y2253-F2310 HydrophobicContact CE1-CE2 4.04Å; L2306-F2310 PolarHBondContact O-N 2.94Å; F2310-A2312 HydrophobicContact CD1-CB 4.1Å; F2310-A2312 HydrophobicContact CE1-CB 3.53Å; F2310-A2312 HydrophobicContact CZ-CB 3.89Å; F2310-A2312 PolarHBondContact O-N 3.27Å; F2310-L2317 HydrophobicContact CE1-CD2 3.9Å; F2310-L2317 HydrophobicContact CE1-CG 4.38Å; F2310-L2317 HydrophobicContact CZ-CD2 4.06Å; F2310-I2321 HydrophobicContact CD1-CD1 3.65Å; F2310-I2321 HydrophobicContact CE1-CD1 3.54Å; F2310-A2519 HydrophobicContact CE1-CB 4.43Å; F2310-A2519 HydrophobicContact CE2-CB 4.46Å; F2310-A2519 HydrophobicContact CZ-CB 3.77Å; F2310-I2523 HydrophobicContact CB-CD1 4.39Å; F2310-I2523 HydrophobicContact CD2-CD1 4.16Å; F2310-I2523 HydrophobicContact CD2-CG2 3.64Å; F2310-I2523 HydrophobicContact CE2-CG2 3.65Å; F2310-I2523 HydrophobicContact CG-CD1 4.44Å | ||
| 2311 | R | 78.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -95.7 | 88.4 | -173.9 | -43.4 | -176.6 | 180 | -154.2 | -2.3 | 110.3 | W2198 F2221 H2223 Y2226 Y2309 | W2198-R2311 VanDerWaalsContact CD2-NH2 3.28Å; W2198-R2311 VanDerWaalsContact CE2-NH1 3.33Å; W2198-R2311 HydrophobicContact CE3-CG 4.15Å; W2198-R2311 HydrophobicContact CH2-CG 4.29Å; W2198-R2311 HydrophobicContact CZ3-CB 4.39Å; W2198-R2311 HydrophobicContact CZ3-CG 3.64Å; F2221-R2311 HydrophobicContact CB-CG 4.49Å; F2221-R2311 WeakPolarHBondContact O-CA 3.49Å; F2221-R2311 VanDerWaalsContact O-CB 3.29Å; F2221-R2311 WeakPolarHBondContact O-CB 3.47Å; F2221-R2311 WeakPolarHBondContact O-CG 3.35Å; F2221-R2311 PolarHBondContact O-N 3.44Å; H2223-R2311 WeakPolarHBondContact CB-O 3.29Å; H2223-R2311 PolarHBondContact N-O 3.12Å; Y2226-R2311 WeakPolarHBondContact CB-O 3.33Å; Y2226-R2311 HydrophobicContact CD1-CB 4.25Å; Y2226-R2311 HydrophobicContact CD2-CB 4.33Å; Y2226-R2311 HydrophobicContact CG-CB 4.09Å; Y2309-R2311 WeakPolarHBondContact O-CG 3.11Å; Y2309-R2311 PolarHBondContact O-N 2.76Å |
| 2312 | A | 77.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -126.2 | 145.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R61 H2223 F2310 L2317 | R61-A2312 PolarHBondContact NH1-O 3.38Å; H2223-A2312 HydrophobicContact CB-CB 3.77Å; F2310-A2312 HydrophobicContact CD1-CB 4.1Å; F2310-A2312 HydrophobicContact CE1-CB 3.53Å; F2310-A2312 HydrophobicContact CZ-CB 3.89Å; F2310-A2312 PolarHBondContact O-N 3.27Å; A2312-L2317 HydrophobicContact CB-CD2 4.19Å | ||
| 2313 | S | 70.7 | Confident | 80.6 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -112.9 | 79.1 | 171.3 | -59 | 0 | 0 | 0 | 0 | 109 | P26 N58 S2225 Y2226 | P26-S2313 VanDerWaalsContact CD-O 3.29Å; P26-S2313 WeakPolarHBondContact CD-O 3.47Å; P26-S2313 WeakPolarHBondContact CG-O 3.31Å; N58-S2313 WeakPolarHBondContact OD1-CB 3.12Å; N58-S2313 PolarHBondContact OD1-OG 3.48Å; S2225-S2313 PolarHBondContact OG-N 2.81Å; S2225-S2313 VanDerWaalsContact OG-N 3.12Å; S2225-S2313 PolarHBondContact OG-O 2.89Å; Y2226-S2313 WeakPolarHBondContact CD2-OG 3.49Å | ||
| 2314 | S | 73.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | trans | -152.8 | 125.2 | 178.5 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | F24 L2318 | F24-S2314 WeakPolarHBondContact CB-OG 3.46Å; F24-S2314 WeakPolarHBondContact O-CB 3.04Å; F24-S2314 PolarHBondContact O-OG 3.03Å; S2314-L2318 WeakPolarHBondContact O-CB 3.35Å; S2314-L2318 VanDerWaalsContact O-CD1 3.31Å; S2314-L2318 WeakPolarHBondContact O-CD1 3.18Å; S2314-L2318 WeakPolarHBondContact O-CG 3.31Å; S2314-L2318 PolarHBondContact O-N 2.81Å | ||
| 2315 | P | 68.9 | Low | 80.7 | Confident | 12 Ų | 12 | 19 Ų | 19 | 8% | 0.078 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | -179.7 | 26.4 | -33.1 | 0 | 0 | 0 | 112.5 | F54 H2319 | F54-P2315 HydrophobicContact CB-CB 4.22Å; P2315-H2319 PolarHBondContact O-N 3.19Å; P2315-H2319 VanDerWaalsContact O-N 3.14Å |
| 2316 | Q | 70.1 | Confident | 80.6 | Confident | 63 Ų | 63 | 21 Ų | 21 | 29% | 0.294 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -68.7 | -49.9 | -178.4 | -126.1 | 70.5 | 18.6 | 0 | 0 | 111.9 | F24 L2318 H2319 T2320 | F24-Q2316 HydrophobicContact CD1-CB 3.73Å; F24-Q2316 HydrophobicContact CD1-CG 4.24Å; F24-Q2316 HydrophobicContact CE1-CB 4Å; F24-Q2316 HydrophobicContact CE1-CG 4.1Å; F24-Q2316 HydrophobicContact CG-CB 4.16Å; Q2316-L2318 VanDerWaalsContact C-N 3.35Å; Q2316-L2318 PolarHBondContact O-N 3.2Å; Q2316-H2319 WeakPolarHBondContact O-CB 3.03Å; Q2316-H2319 PolarHBondContact O-N 3.21Å; Q2316-H2319 VanDerWaalsContact O-N 3.14Å; Q2316-T2320 PolarHBondContact O-N 2.9Å; Q2316-T2320 PolarHBondContact O-OG1 2.61Å |
| 2317 | L | 78 | Confident | 80.4 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | -178.3 | -178.8 | 60.1 | 0 | 0 | 0 | 112 | F24 F2310 A2312 H2319 T2320 I2321 P2517 A2519 | F24-L2317 HydrophobicContact CD2-CB 4.29Å; F2310-L2317 HydrophobicContact CE1-CD2 3.9Å; F2310-L2317 HydrophobicContact CE1-CG 4.38Å; F2310-L2317 HydrophobicContact CZ-CD2 4.06Å; A2312-L2317 HydrophobicContact CB-CD2 4.19Å; L2317-H2319 VanDerWaalsContact C-N 3.34Å; L2317-T2320 PolarHBondContact O-N 3.35Å; L2317-I2321 HydrophobicContact CD1-CD1 4.13Å; L2317-I2321 HydrophobicContact CD1-CG1 4.43Å; L2317-I2321 HydrophobicContact CG-CD1 3.99Å; L2317-I2321 WeakPolarHBondContact O-CB 3.33Å; L2317-I2321 VanDerWaalsContact O-CG1 3.28Å; L2317-I2321 WeakPolarHBondContact O-CG1 3.46Å; L2317-I2321 PolarHBondContact O-N 2.97Å; L2317-P2517 HydrophobicContact CD1-CB 4.37Å; L2317-A2519 HydrophobicContact CD1-CB 4.27Å; L2317-A2519 HydrophobicContact CD2-CB 4.27Å |
| 2318 | L | 79.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.3 | -68.5 | 169.5 | 0 | 0 | 0 | 110.6 | F87 H91 S2314 Q2316 T2320 I2321 D2322 | F87-L2318 HydrophobicContact CZ-CB 3.94Å; H91-L2318 HydrophobicContact CB-CD2 4.29Å; H91-L2318 PolarHBondContact CE1-O 2.92Å; H91-L2318 WeakPolarHBondContact ND1-CD2 3.43Å; H91-L2318 PolarHBondContact NE2-O 2.99Å; H91-L2318 VanDerWaalsContact NE2-O 3.09Å; S2314-L2318 WeakPolarHBondContact O-CB 3.35Å; S2314-L2318 VanDerWaalsContact O-CD1 3.31Å; S2314-L2318 WeakPolarHBondContact O-CD1 3.18Å; S2314-L2318 WeakPolarHBondContact O-CG 3.31Å; S2314-L2318 PolarHBondContact O-N 2.81Å; Q2316-L2318 VanDerWaalsContact C-N 3.35Å; Q2316-L2318 PolarHBondContact O-N 3.2Å; L2318-T2320 PolarHBondContact O-N 3.27Å; L2318-I2321 PolarHBondContact O-N 3.06Å; L2318-D2322 PolarHBondContact O-N 3Å |
| 2319 | H | 79.6 | Confident | 79.9 | Confident | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.338 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 177.4 | -174.8 | 39.9 | 0 | 0 | 0 | 113.3 | L50 P2315 Q2316 L2317 I2321 D2322 V2323 | L50-H2319 HydrophobicContact CD1-CB 4Å; L50-H2319 HydrophobicContact CD2-CB 3.97Å; P2315-H2319 PolarHBondContact O-N 3.19Å; P2315-H2319 VanDerWaalsContact O-N 3.14Å; Q2316-H2319 WeakPolarHBondContact O-CB 3.03Å; Q2316-H2319 PolarHBondContact O-N 3.21Å; Q2316-H2319 VanDerWaalsContact O-N 3.14Å; L2317-H2319 VanDerWaalsContact C-N 3.34Å; H2319-I2321 VanDerWaalsContact C-N 3.29Å; H2319-I2321 PolarHBondContact O-N 3.26Å; H2319-D2322 PolarHBondContact O-N 3.27Å; H2319-V2323 WeakPolarHBondContact O-CG2 3.34Å; H2319-V2323 PolarHBondContact O-N 3.28Å |
| 2320 | T | 80.1 | Confident | 79.4 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 19% | 0.19 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.6 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | Q2316 L2317 L2318 F2324 E2515 P2517 | Q2316-T2320 PolarHBondContact O-N 2.9Å; Q2316-T2320 PolarHBondContact O-OG1 2.61Å; L2317-T2320 PolarHBondContact O-N 3.35Å; L2318-T2320 PolarHBondContact O-N 3.27Å; T2320-F2324 WeakPolarHBondContact O-CB 3.27Å; T2320-F2324 PolarHBondContact O-N 3.05Å; T2320-E2515 VanDerWaalsContact CG2-O 3.27Å; T2320-E2515 WeakPolarHBondContact CG2-O 3.06Å; T2320-P2517 HydrophobicContact CG2-CB 3.96Å; T2320-P2517 HydrophobicContact CG2-CG 4.43Å |
| 2321 | I | 84.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 174.8 | -70.4 | 168.8 | 0 | 0 | 0 | 111.5 | H2307 F2310 L2317 L2318 H2319 F2324 V2325 P2517 L2520 | H2307-I2321 HydrophobicContact CB-CG2 4.33Å; F2310-I2321 HydrophobicContact CD1-CD1 3.65Å; F2310-I2321 HydrophobicContact CE1-CD1 3.54Å; L2317-I2321 HydrophobicContact CD1-CD1 4.13Å; L2317-I2321 HydrophobicContact CD1-CG1 4.43Å; L2317-I2321 HydrophobicContact CG-CD1 3.99Å; L2317-I2321 WeakPolarHBondContact O-CB 3.33Å; L2317-I2321 VanDerWaalsContact O-CG1 3.28Å; L2317-I2321 WeakPolarHBondContact O-CG1 3.46Å; L2317-I2321 PolarHBondContact O-N 2.97Å; L2318-I2321 PolarHBondContact O-N 3.06Å; H2319-I2321 VanDerWaalsContact C-N 3.29Å; H2319-I2321 PolarHBondContact O-N 3.26Å; I2321-F2324 PolarHBondContact O-N 2.74Å; I2321-V2325 HydrophobicContact CG2-CG2 4.13Å; I2321-V2325 WeakPolarHBondContact O-CB 3.24Å; I2321-V2325 WeakPolarHBondContact O-CG2 3.04Å; I2321-V2325 PolarHBondContact O-N 2.86Å; I2321-P2517 HydrophobicContact CG1-CB 3.71Å; I2321-P2517 HydrophobicContact CG1-CG 3.93Å; I2321-L2520 HydrophobicContact CD1-CD2 3.98Å; I2321-L2520 HydrophobicContact CD1-CG 4.39Å; I2321-L2520 HydrophobicContact CG1-CD1 4.24Å; I2321-L2520 HydrophobicContact CG1-CD2 4.15Å; I2321-L2520 HydrophobicContact CG1-CG 4.12Å; I2321-L2520 HydrophobicContact CG2-CD1 4.3Å; I2321-L2520 HydrophobicContact CG2-CD2 4.4Å |
| 2322 | D | 82.6 | Confident | 78 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.5 | 177.8 | 40.6 | 0 | 0 | 0 | 112.2 | F87 H90 L2318 H2319 V2325 R2326 | F87-D2322 HydrophobicContact CD2-CB 4.02Å; F87-D2322 HydrophobicContact CE2-CB 4.23Å; H90-D2322 IonicContact CE1-OD1 3.25Å; H90-D2322 IonicContact CG-OD1 2.74Å; H90-D2322 IonicContact ND1-OD1 3.07Å; H90-D2322 PolarHBondContact ND1-OD1 3.27Å; L2318-D2322 PolarHBondContact O-N 3Å; H2319-D2322 PolarHBondContact O-N 3.27Å; D2322-V2325 PolarHBondContact O-N 3.07Å; D2322-R2326 VanDerWaalsContact CG-NE 3.27Å; D2322-R2326 VanDerWaalsContact O-CG 3.25Å; D2322-R2326 WeakPolarHBondContact O-CG 3.49Å; D2322-R2326 PolarHBondContact O-N 3.18Å; D2322-R2326 IonicContact OD1-CZ 2.64Å; D2322-R2326 IonicContact OD1-NE 3.62Å; D2322-R2326 PolarHBondContact OD1-NE 2.91Å; D2322-R2326 IonicContact OD1-NH2 3.51Å; D2322-R2326 PolarHBondContact OD1-NH2 3.43Å; D2322-R2326 IonicContact OD2-CZ 3.65Å; D2322-R2326 IonicContact OD2-NE 3.35Å; D2322-R2326 PolarHBondContact OD2-NE 3.28Å; D2322-R2326 VanDerWaalsContact OD2-NE 3.09Å; D2322-R2326 IonicContact OD2-NH2 3.82Å; D2322-R2326 PolarHBondContact OD2-NH2 3.43Å |
| 2323 | V | 82.1 | Confident | 76.8 | Confident | 64 Ų | 64 | 38.3 Ų | 38.3 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | H2319 R2326 Y2327 | H2319-V2323 WeakPolarHBondContact O-CG2 3.34Å; H2319-V2323 PolarHBondContact O-N 3.28Å; V2323-R2326 PolarHBondContact O-N 3.24Å; V2323-Y2327 WeakPolarHBondContact O-CB 3.29Å; V2323-Y2327 PolarHBondContact O-N 3.37Å |
| 2324 | F | 85.3 | Confident | 75.5 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 178.8 | -173.9 | -106.7 | 0 | 0 | 0 | 112.6 | A2298 V2302 T2320 I2321 Y2327 Q2328 V2514 I2516 P2517 L2520 | A2298-F2324 HydrophobicContact CB-CE1 4.01Å; A2298-F2324 HydrophobicContact CB-CZ 4.19Å; V2302-F2324 HydrophobicContact CG2-CD1 3.71Å; V2302-F2324 HydrophobicContact CG2-CE1 3.75Å; T2320-F2324 WeakPolarHBondContact O-CB 3.27Å; T2320-F2324 PolarHBondContact O-N 3.05Å; I2321-F2324 PolarHBondContact O-N 2.74Å; F2324-Y2327 HydrophobicContact CD2-CD1 4.48Å; F2324-Y2327 PolarHBondContact O-N 3.36Å; F2324-Q2328 HydrophobicContact CD1-CG 4.19Å; F2324-Q2328 HydrophobicContact CE1-CG 3.89Å; F2324-Q2328 HydrophobicContact CE2-CG 4.34Å; F2324-Q2328 HydrophobicContact CZ-CG 3.99Å; F2324-Q2328 VanDerWaalsContact O-CG 3.29Å; F2324-Q2328 WeakPolarHBondContact O-CG 3.43Å; F2324-Q2328 PolarHBondContact O-N 3.42Å; F2324-V2514 HydrophobicContact CD2-CG1 4.32Å; F2324-I2516 HydrophobicContact CD2-CG1 4.39Å; F2324-I2516 HydrophobicContact CE2-CG1 3.92Å; F2324-I2516 HydrophobicContact CE2-CG2 4.28Å; F2324-I2516 HydrophobicContact CZ-CG2 4.31Å; F2324-P2517 HydrophobicContact CB-CG 4.01Å; F2324-P2517 HydrophobicContact CD1-CG 4.06Å; F2324-P2517 HydrophobicContact CG-CG 4.11Å; F2324-L2520 HydrophobicContact CD1-CD1 3.96Å; F2324-L2520 HydrophobicContact CE1-CD1 4.37Å |
| 2325 | V | 86.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 175.2 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | H90 V2302 H2307 I2321 D2322 K2329 | H90-V2325 HydrophobicContact CB-CG1 4.5Å; V2302-V2325 HydrophobicContact CG1-CB 4.48Å; V2302-V2325 HydrophobicContact CG1-CG1 4.48Å; V2302-V2325 HydrophobicContact CG1-CG2 4.07Å; V2302-V2325 HydrophobicContact CG2-CG2 3.86Å; H2307-V2325 HydrophobicContact CB-CG2 4.38Å; I2321-V2325 HydrophobicContact CG2-CG2 4.13Å; I2321-V2325 WeakPolarHBondContact O-CB 3.24Å; I2321-V2325 WeakPolarHBondContact O-CG2 3.04Å; I2321-V2325 PolarHBondContact O-N 2.86Å; D2322-V2325 PolarHBondContact O-N 3.07Å; V2325-K2329 HydrophobicContact CG1-CD 4.23Å; V2325-K2329 WeakPolarHBondContact O-CB 3.37Å; V2325-K2329 VanDerWaalsContact O-CG 3.27Å; V2325-K2329 WeakPolarHBondContact O-CG 3.45Å; V2325-K2329 PolarHBondContact O-N 3.3Å; V2325-K2329 VanDerWaalsContact O-N 3.1Å |
| 2326 | R | 83.4 | Confident | 72.2 | Confident | 46 Ų | 46 | 55 Ų | 55 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -50.2 | 172.5 | -69.1 | 170 | -165.9 | -142.5 | 8.1 | 110.9 | D2322 V2323 Q2328 K2329 D2330 | D2322-R2326 VanDerWaalsContact CG-NE 3.27Å; D2322-R2326 VanDerWaalsContact O-CG 3.25Å; D2322-R2326 WeakPolarHBondContact O-CG 3.49Å; D2322-R2326 PolarHBondContact O-N 3.18Å; D2322-R2326 IonicContact OD1-CZ 2.64Å; D2322-R2326 IonicContact OD1-NE 3.62Å; D2322-R2326 PolarHBondContact OD1-NE 2.91Å; D2322-R2326 IonicContact OD1-NH2 3.51Å; D2322-R2326 PolarHBondContact OD1-NH2 3.43Å; D2322-R2326 IonicContact OD2-CZ 3.65Å; D2322-R2326 IonicContact OD2-NE 3.35Å; D2322-R2326 PolarHBondContact OD2-NE 3.28Å; D2322-R2326 VanDerWaalsContact OD2-NE 3.09Å; D2322-R2326 IonicContact OD2-NH2 3.82Å; D2322-R2326 PolarHBondContact OD2-NH2 3.43Å; V2323-R2326 PolarHBondContact O-N 3.24Å; R2326-Q2328 PolarHBondContact O-N 3.39Å; R2326-K2329 CarbonylContact O-C 3.58Å; R2326-K2329 WeakPolarHBondContact O-CA 3.4Å; R2326-K2329 WeakPolarHBondContact O-CB 3.25Å; R2326-K2329 PolarHBondContact O-N 2.74Å; R2326-D2330 PolarHBondContact O-N 2.99Å |
| 2327 | Y | 84 | Confident | 70.5 | Confident | 59 Ų | 59 | 56.9 Ų | 56.9 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.9 | -48.9 | 177.6 | 174.6 | -108.9 | 0 | 0 | 0 | 112.8 | V2323 F2324 K2329 D2330 V2331 I2339 V2514 | V2323-Y2327 WeakPolarHBondContact O-CB 3.29Å; V2323-Y2327 PolarHBondContact O-N 3.37Å; F2324-Y2327 HydrophobicContact CD2-CD1 4.48Å; F2324-Y2327 PolarHBondContact O-N 3.36Å; Y2327-K2329 VanDerWaalsContact C-N 3.29Å; Y2327-K2329 PolarHBondContact O-N 2.93Å; Y2327-D2330 PolarHBondContact O-N 2.94Å; Y2327-V2331 HydrophobicContact CD2-CG2 4.27Å; Y2327-V2331 HydrophobicContact CE2-CG2 3.84Å; Y2327-V2331 PolarHBondContact O-N 3.45Å; Y2327-I2339 HydrophobicContact CD1-CD1 4.31Å; Y2327-I2339 HydrophobicContact CE1-CD1 3.59Å; Y2327-I2339 HydrophobicContact CE1-CG1 4.04Å; Y2327-V2514 HydrophobicContact CD1-CG1 4.48Å; Y2327-V2514 HydrophobicContact CD2-CG2 4.45Å |
| 2328 | Q | 82.7 | Confident | 68.5 | Low | 27 Ų | 27 | 63.3 Ų | 63.3 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -32.1 | 175.9 | -67.7 | -68.7 | -25.4 | 0 | 0 | 112.9 | V2302 F2324 R2326 A2332 | V2302-Q2328 HydrophobicContact CB-CB 4.49Å; V2302-Q2328 HydrophobicContact CB-CG 4.34Å; V2302-Q2328 HydrophobicContact CG1-CB 3.81Å; V2302-Q2328 HydrophobicContact CG1-CG 4.16Å; V2302-Q2328 HydrophobicContact CG2-CG 4.49Å; F2324-Q2328 HydrophobicContact CD1-CG 4.19Å; F2324-Q2328 HydrophobicContact CE1-CG 3.89Å; F2324-Q2328 HydrophobicContact CE2-CG 4.34Å; F2324-Q2328 HydrophobicContact CZ-CG 3.99Å; F2324-Q2328 VanDerWaalsContact O-CG 3.29Å; F2324-Q2328 WeakPolarHBondContact O-CG 3.43Å; F2324-Q2328 PolarHBondContact O-N 3.42Å; R2326-Q2328 PolarHBondContact O-N 3.39Å; Q2328-A2332 WeakPolarHBondContact O-CB 3.46Å; Q2328-A2332 PolarHBondContact O-N 3.3Å; Q2328-A2332 VanDerWaalsContact O-N 3.13Å |
| 2329 | K | 81.2 | Confident | 66.4 | Low | 89 Ų | 89 | 65.5 Ų | 65.5 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.5 | -22.5 | 176.4 | -80.4 | 178.5 | 175.6 | -172.6 | 0 | 114.3 | H90 V2325 R2326 Y2327 K2333 | H90-K2329 PolarHBondContact CD2-NZ 3.31Å; H90-K2329 VanDerWaalsContact CD2-NZ 3.34Å; H90-K2329 PolarHBondContact NE2-NZ 2.67Å; V2325-K2329 HydrophobicContact CG1-CD 4.23Å; V2325-K2329 WeakPolarHBondContact O-CB 3.37Å; V2325-K2329 VanDerWaalsContact O-CG 3.27Å; V2325-K2329 WeakPolarHBondContact O-CG 3.45Å; V2325-K2329 PolarHBondContact O-N 3.3Å; V2325-K2329 VanDerWaalsContact O-N 3.1Å; R2326-K2329 CarbonylContact O-C 3.58Å; R2326-K2329 WeakPolarHBondContact O-CA 3.4Å; R2326-K2329 WeakPolarHBondContact O-CB 3.25Å; R2326-K2329 PolarHBondContact O-N 2.74Å; Y2327-K2329 VanDerWaalsContact C-N 3.29Å; Y2327-K2329 PolarHBondContact O-N 2.93Å; K2329-K2333 WeakPolarHBondContact O-CE 3.23Å; K2329-K2333 WeakPolarHBondContact O-CG 3.39Å |
| 2330 | D | 73.9 | Confident | 64.3 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -87.7 | -41.6 | 177.4 | -67.7 | -29.7 | 0 | 0 | 0 | 110.3 | R2326 Y2327 A2332 K2333 D2334 | R2326-D2330 PolarHBondContact O-N 2.99Å; Y2327-D2330 PolarHBondContact O-N 2.94Å; D2330-A2332 PolarHBondContact O-N 3.06Å; D2330-K2333 PolarHBondContact O-N 3.48Å; D2330-K2333 IonicContact OD1-NZ 3.97Å; D2330-K2333 PolarHBondContact OD1-NZ 3.25Å; D2330-D2334 PolarHBondContact O-N 3.48Å |
| 2331 | V | 69.9 | Low | 61.9 | Low | 30 Ų | 30 | 68.8 Ų | 68.8 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.8 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 113.2 | Y2327 K2333 F2338 I2339 | Y2327-V2331 HydrophobicContact CD2-CG2 4.27Å; Y2327-V2331 HydrophobicContact CE2-CG2 3.84Å; Y2327-V2331 PolarHBondContact O-N 3.45Å; V2331-K2333 VanDerWaalsContact C-N 3.3Å; V2331-F2338 HydrophobicContact CG1-CB 3.96Å; V2331-I2339 HydrophobicContact CB-CD1 3.64Å; V2331-I2339 HydrophobicContact CB-CG1 4.3Å; V2331-I2339 HydrophobicContact CG1-CD1 3.64Å; V2331-I2339 HydrophobicContact CG1-CG1 3.82Å; V2331-I2339 HydrophobicContact CG2-CD1 3.9Å; V2331-I2339 HydrophobicContact CG2-CG1 4.36Å |
| 2332 | A | 63.9 | Low | 59.3 | Low | 81 Ų | 81 | 73 Ų | 73 | 67% | 0.669 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q2328 D2330 | Q2328-A2332 WeakPolarHBondContact O-CB 3.46Å; Q2328-A2332 PolarHBondContact O-N 3.3Å; Q2328-A2332 VanDerWaalsContact O-N 3.13Å; D2330-A2332 PolarHBondContact O-N 3.06Å |
| 2333 | K | 53.3 | Low | 56.8 | Low | 131 Ų | 131 | 76.3 Ų | 76.3 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -32 | 176.5 | -65.4 | 169.6 | -164.1 | 148.2 | 0 | 113.7 | K2329 D2330 V2331 | K2329-K2333 WeakPolarHBondContact O-CE 3.23Å; K2329-K2333 WeakPolarHBondContact O-CG 3.39Å; D2330-K2333 PolarHBondContact O-N 3.48Å; D2330-K2333 IonicContact OD1-NZ 3.97Å; D2330-K2333 PolarHBondContact OD1-NZ 3.25Å; V2331-K2333 VanDerWaalsContact C-N 3.3Å |
| 2334 | D | 42.6 | Very low | 54.1 | Low | 91 Ų | 91 | 79 Ų | 79 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -81.7 | 131.8 | 164.9 | -60.1 | -34.5 | 0 | 0 | 0 | 107.2 | D2330 L2336 | D2330-D2334 PolarHBondContact O-N 3.48Å; D2334-L2336 PolarHBondContact O-N 2.98Å; D2334-L2336 VanDerWaalsContact O-N 3.12Å |
| 2335 | D | 37 | Very low | 51.2 | Low | 156 Ų | 156 | 88.3 Ų | 88.3 | 83% | 0.834 | 45% | 0.448 | S | S | * | . | trans | -62.4 | 114.3 | -161.7 | -73.9 | -63.2 | 0 | 0 | 0 | 115 | D2337 | D2335-D2337 VanDerWaalsContact C-N 3.3Å; D2335-D2337 PolarHBondContact O-N 3.3Å | ||
| 2336 | L | 35.9 | Very low | 48.2 | Very low | 120 Ų | 120 | 94.8 Ų | 94.8 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 52.5 | -17.5 | 152.4 | -138.8 | 70.3 | 0 | 0 | 0 | 122.5 | D2334 | D2334-L2336 PolarHBondContact O-N 2.98Å; D2334-L2336 VanDerWaalsContact O-N 3.12Å |
| 2337 | D | 34.1 | Very low | 45.4 | Very low | 101 Ų | 101 | 102.3 Ų | 102.3 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | trans | -100.5 | -24.6 | -163.6 | -100.8 | -51.7 | 0 | 0 | 0 | 117 | D2335 I2339 N2341 | D2335-D2337 VanDerWaalsContact C-N 3.3Å; D2335-D2337 PolarHBondContact O-N 3.3Å; D2337-I2339 PolarHBondContact O-N 2.96Å; D2337-N2341 PolarHBondContact OD1-ND2 2.93Å | ||
| 2338 | F | 36.3 | Very low | 42.5 | Very low | 147 Ų | 147 | 105.9 Ų | 105.9 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.3 | -157.8 | -117.6 | -88.3 | 0 | 0 | 0 | 118.6 | V2331 | V2331-F2338 HydrophobicContact CG1-CB 3.96Š|
| 2339 | I | 34.9 | Very low | 39.7 | Very low | 47 Ų | 47 | 110.5 Ų | 110.5 | 24% | 0.241 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -122 | 63.7 | 171.5 | -59.2 | 159.3 | 0 | 0 | 0 | 111 | Y2327 V2331 D2337 | Y2327-I2339 HydrophobicContact CD1-CD1 4.31Å; Y2327-I2339 HydrophobicContact CE1-CD1 3.59Å; Y2327-I2339 HydrophobicContact CE1-CG1 4.04Å; V2331-I2339 HydrophobicContact CB-CD1 3.64Å; V2331-I2339 HydrophobicContact CB-CG1 4.3Å; V2331-I2339 HydrophobicContact CG1-CD1 3.64Å; V2331-I2339 HydrophobicContact CG1-CG1 3.82Å; V2331-I2339 HydrophobicContact CG2-CD1 3.9Å; V2331-I2339 HydrophobicContact CG2-CG1 4.36Å; D2337-I2339 PolarHBondContact O-N 2.96Å |
| 2340 | T | 36 | Very low | 36.9 | Very low | 76 Ų | 76 | 114.2 Ų | 114.2 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | -175.9 | -9.2 | 123.3 | 32.2 | 0 | 0 | 0 | 0 | 112.5 | E2342 Y2557 | T2340-E2342 PolarHBondContact O-N 3.38Å; T2340-Y2557 VanDerWaalsContact CG2-OH 3.28Å; T2340-Y2557 WeakPolarHBondContact CG2-OH 3.3Å; T2340-Y2557 PolarHBondContact OG1-OH 2.74Å | |
| 2341 | N | 30.4 | Very low | 34.6 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | trans | -81.4 | 72.8 | -167.1 | -62.9 | -6.4 | 0 | 0 | 0 | 113.1 | D2337 E2343 | D2337-N2341 PolarHBondContact OD1-ND2 2.93Å; N2341-E2343 PolarHBondContact O-N 3.32Å | ||
| 2342 | E | 30.3 | Very low | 32.5 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 42% | 0.416 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -86.8 | 35 | 158.2 | -150.8 | -163.3 | -47.5 | 0 | 0 | 111.8 | T2340 K2618 R2622 | T2340-E2342 PolarHBondContact O-N 3.38Å; E2342-K2618 IonicContact OE1-NZ 3.44Å; E2342-K2618 PolarHBondContact OE1-NZ 2.93Å; E2342-K2618 WeakPolarHBondContact OE2-CD 3.47Å; E2342-K2618 WeakPolarHBondContact OE2-CE 3.05Å; E2342-K2618 IonicContact OE2-NZ 3.31Å; E2342-K2618 PolarHBondContact OE2-NZ 3.17Å; E2342-K2618 VanDerWaalsContact OE2-NZ 3.09Å; E2342-R2622 IonicContact OE2-NH2 3.91Å; E2342-R2622 PolarHBondContact OE2-NH2 2.93Å |
| 2343 | E | 28.1 | Very low | 30.5 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 36% | 0.355 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -169.1 | 100.5 | 159.4 | -115.5 | 167.4 | -138.3 | 0 | 0 | 111.3 | N2341 Q2568 R2625 | N2341-E2343 PolarHBondContact O-N 3.32Å; E2343-Q2568 PolarHBondContact OE1-OE1 2.98Å; E2343-Q2568 PolarHBondContact OE2-NE2 2.92Å; E2343-Q2568 PolarHBondContact OE2-OE1 3.4Å; E2343-R2625 VanDerWaalsContact CD-NH1 3.3Å; E2343-R2625 IonicContact OE1-CZ 3.83Å; E2343-R2625 VanDerWaalsContact OE1-CZ 3.26Å; E2343-R2625 IonicContact OE1-NH1 2.91Å; E2343-R2625 PolarHBondContact OE1-NH1 3.16Å; E2343-R2625 IonicContact OE1-NH2 2.7Å; E2343-R2625 PolarHBondContact OE1-NH2 3.02Å; E2343-R2625 IonicContact OE2-CZ 3.6Å; E2343-R2625 IonicContact OE2-NH1 2.67Å; E2343-R2625 IonicContact OE2-NH2 3.66Å; E2343-R2625 PolarHBondContact OE2-NH2 3.22Å |
| 2344 | I | 26.5 | Very low | 29.1 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -178.1 | 110.3 | 134 | -90.8 | 154.2 | 0 | 0 | 0 | 106.7 | C2560 | I2344-C2560 VanDerWaalsContact CD1-SG 3.5Š| ||
| 2345 | E | 23.3 | Very low | 28.3 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 94% | 0.935 | 65% | 0.65 | S | S | * | * | trans | -121 | 64.9 | 163.5 | -169.6 | 174.8 | -145.6 | 0 | 0 | 106.4 | ||||
| 2346 | I | 24.4 | Very low | 27.7 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | trans | -131.8 | 82.7 | 174.7 | -53.6 | -179.9 | 0 | 0 | 0 | 107.5 | ||||
| 2347 | R | 24.9 | Very low | 27.2 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -135.7 | 123 | 149.3 | -86.8 | -164.5 | 153.6 | -170.3 | -14.3 | 108.5 | D1894 | D1894-R2347 IonicContact OD2-NH2 2.97Š| ||
| 2348 | Q | 22.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | trans | -69.3 | 139.3 | 163.9 | -67.6 | 159.5 | -67.4 | 0 | 0 | 107.8 | E2350 | Q2348-E2350 VanDerWaalsContact C-N 3.26Å; Q2348-E2350 PolarHBondContact O-N 3.29Å; Q2348-E2350 VanDerWaalsContact O-N 3.09Å | ||
| 2349 | P | 24.8 | Very low | 26.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -83.9 | 70.3 | 171 | 34.6 | -33.7 | 0 | 0 | 0 | 110.1 | L2351 | P2349-L2351 VanDerWaalsContact C-N 3.32Å; P2349-L2351 PolarHBondContact O-N 3.44Å | ||
| 2350 | E | 22.2 | Very low | 25.7 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | trans | -79.5 | 90.1 | 159.7 | -68.7 | -157.8 | 163.9 | 0 | 0 | 108.2 | Q2348 V2352 | Q2348-E2350 VanDerWaalsContact C-N 3.26Å; Q2348-E2350 PolarHBondContact O-N 3.29Å; Q2348-E2350 VanDerWaalsContact O-N 3.09Å; E2350-V2352 PolarHBondContact O-N 3Å | ||
| 2351 | L | 26.3 | Very low | 25.2 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -89.1 | 100.4 | 179.6 | -136.8 | 170 | 0 | 0 | 0 | 108.4 | P2349 D2353 | P2349-L2351 VanDerWaalsContact C-N 3.32Å; P2349-L2351 PolarHBondContact O-N 3.44Å; L2351-D2353 PolarHBondContact O-N 3.07Å; L2351-D2353 VanDerWaalsContact O-N 3.13Å | ||
| 2352 | V | 25.1 | Very low | 25 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -74.8 | 97.8 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | E2350 | E2350-V2352 PolarHBondContact O-N 3Š| ||
| 2353 | D | 22.7 | Very low | 24.6 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -70.2 | 124.6 | 166.5 | -81.2 | -41.1 | 0 | 0 | 0 | 110.2 | L2351 | L2351-D2353 PolarHBondContact O-N 3.07Å; L2351-D2353 VanDerWaalsContact O-N 3.13Å | ||
| 2354 | T | 23.7 | Very low | 24.6 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | trans | -171 | 121.5 | 141 | 7.7 | 0 | 0 | 0 | 0 | 113.4 | T2356 | T2354-T2356 HydrophobicContact CG2-CG2 4.42Š| ||
| 2355 | F | 24.8 | Very low | 24.5 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 87% | 0.868 | 73% | 0.732 | S | S | * | * | trans | 172.2 | 86 | 141.5 | -91.9 | -64.9 | 0 | 0 | 0 | 105.2 | ||||
| 2356 | T | 24.6 | Very low | 24.5 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 63% | 0.632 | 72% | 0.722 | S | S | * | * | 53.5 | 130 | 80 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | T2354 | T2354-T2356 HydrophobicContact CG2-CG2 4.42Š| |||
| 2357 | E | 24.6 | Very low | 24.6 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | cis | -135.7 | 143 | 11.2 | -70.1 | 177.1 | 146 | 0 | 0 | 108.4 | ||||
| 2358 | E | 22.5 | Very low | 24.6 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | 83.1 | 106.6 | 59.1 | -69.9 | -144.6 | 154 | 0 | 0 | 117.4 | I2360 | E2358-I2360 HydrophobicContact CB-CD1 4.42Å; E2358-I2360 VanDerWaalsContact CD-CD1 3.45Å; E2358-I2360 HydrophobicContact CG-CD1 4.01Å; E2358-I2360 VanDerWaalsContact OE1-CD1 3.24Å; E2358-I2360 WeakPolarHBondContact OE1-CD1 3.43Å | |||
| 2359 | T | 25.5 | Very low | 24.6 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | trans | -175.8 | 104.1 | 146.5 | 6.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 2360 | I | 25.9 | Very low | 24.4 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 45% | 0.451 | 73% | 0.726 | S | S | . | * | cis | 69.3 | 104.3 | 22.8 | -52.4 | -171.3 | 0 | 0 | 0 | 114.8 | E2358 L2363 | E2358-I2360 HydrophobicContact CB-CD1 4.42Å; E2358-I2360 VanDerWaalsContact CD-CD1 3.45Å; E2358-I2360 HydrophobicContact CG-CD1 4.01Å; E2358-I2360 VanDerWaalsContact OE1-CD1 3.24Å; E2358-I2360 WeakPolarHBondContact OE1-CD1 3.43Å; I2360-L2363 HydrophobicContact CG2-CD1 4.33Å; I2360-L2363 HydrophobicContact CG2-CG 4.22Å | ||
| 2361 | N | 25.9 | Very low | 24.4 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -157.6 | 121.4 | 143.9 | -91.4 | -44.2 | 0 | 0 | 0 | 104.2 | ||||
| 2362 | N | 26.8 | Very low | 24.2 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -134.9 | 153.1 | 11.8 | -33.1 | -78.6 | 0 | 0 | 0 | 107.9 | ||||
| 2363 | L | 22 | Very low | 24 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | cis | 59.3 | 111.9 | 41.6 | -60.9 | 170 | 0 | 0 | 0 | 111.4 | I2360 | I2360-L2363 HydrophobicContact CG2-CD1 4.33Å; I2360-L2363 HydrophobicContact CG2-CG 4.22Å | ||
| 2364 | T | 27.6 | Very low | 24 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | -126.9 | 124 | 63.3 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2365 | S | 25.3 | Very low | 24.1 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | 56.9 | 108.6 | 77.6 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2366 | S | 23.1 | Very low | 23.9 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | cis | 78.7 | 121.4 | 47.3 | 80.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2367 | N | 26.7 | Very low | 23.7 | Very low | 145 Ų | 145 | 115.3 Ų | 115.3 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | trans | -148.5 | 122 | 156.7 | -82.6 | -48.1 | 0 | 0 | 0 | 106 | ||||
| 2368 | L | 25.3 | Very low | 23.6 | Very low | 148 Ų | 148 | 114.1 Ų | 114.1 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | 63.8 | 129.8 | 80.9 | -78.7 | 136.2 | 0 | 0 | 0 | 113 | |||||
| 2369 | S | 21.4 | Very low | 23.6 | Very low | 86 Ų | 86 | 113.4 Ų | 113.4 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | cis | 179.7 | 147.8 | -15.6 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2370 | S | 20.9 | Very low | 23.4 | Very low | 122 Ų | 122 | 111.1 Ų | 111.1 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | trans | 64.8 | 164.5 | 175.6 | 80.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2371 | S | 22.7 | Very low | 23.3 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | cis | -150.8 | -178.3 | 15.2 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2372 | N | 20.9 | Very low | 23.1 | Very low | 157 Ų | 157 | 116.7 Ų | 116.7 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | trans | -72.4 | 140.1 | -179 | -49 | -31.8 | 0 | 0 | 0 | 112.7 | ||||
| 2373 | S | 21.3 | Very low | 23.2 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | -173.4 | 160.8 | 129.7 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2374 | Y | 23.4 | Very low | 23.4 | Very low | 156 Ų | 156 | 116.5 Ų | 116.5 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | trans | -121 | 133 | 148 | -85.7 | -47.6 | 0 | 0 | 0 | 105.6 | D1873 E1874 D1875 | D1873-Y2374 WeakPolarHBondContact O-CA 3.45Å; E1874-Y2374 WeakPolarHBondContact O-CD1 3.45Å; E1874-Y2374 WeakPolarHBondContact O-CE1 3.08Å; D1875-Y2374 WeakPolarHBondContact O-CE1 3.3Å; D1875-Y2374 PolarHBondContact O-OH 3.05Å | ||
| 2375 | P | 24.5 | Very low | 23.2 | Very low | 31 Ų | 31 | 117 Ų | 117 | 20% | 0.201 | 67% | 0.668 | C | S | . | * | -154.3 | 103.3 | 126.1 | 26.9 | -1.7 | 0 | 0 | 0 | 116.6 | S1871 D1873 | S1871-P2375 WeakPolarHBondContact CB-O 3.36Å; D1873-P2375 VanDerWaalsContact C-CD 3.48Å; D1873-P2375 WeakPolarHBondContact O-CD 3.22Å | |||
| 2376 | V | 21.3 | Very low | 23.1 | Very low | 61 Ų | 61 | 119.8 Ų | 119.8 | 37% | 0.37 | 67% | 0.672 | S | S | . | * | 58.6 | 102.3 | 117.4 | -175.8 | 0 | 0 | 0 | 0 | 119.3 | N1869 N1870 | N1869-V2376 WeakPolarHBondContact ND2-CG1 3.48Å; N1870-V2376 PolarHBondContact ND2-O 3.33Å; N1870-V2376 WeakPolarHBondContact OD1-CB 3.48Å; N1870-V2376 WeakPolarHBondContact OD1-CG1 3.26Å; N1870-V2376 PolarHBondContact OD1-O 3.43Å | |||
| 2377 | T | 21.2 | Very low | 23.3 | Very low | 50 Ų | 50 | 120.7 Ų | 120.7 | 31% | 0.307 | 67% | 0.669 | S | S | . | * | trans | 79.2 | 121.9 | 136.7 | 63.5 | 0 | 0 | 0 | 0 | 123.9 | N1870 E1874 | N1870-T2377 PolarHBondContact ND2-OG1 2.83Å; E1874-T2377 PolarHBondContact OE1-N 3.11Å | ||
| 2378 | K | 22.4 | Very low | 23 | Very low | 155 Ų | 155 | 119.6 Ų | 119.6 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | 54.4 | 127.1 | 121.5 | -59.5 | 171.1 | -179.4 | 163.2 | 0 | 119.7 | |||||
| 2379 | T | 22 | Very low | 23.1 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 85% | 0.853 | 66% | 0.663 | S | S | * | * | -166.3 | 149.6 | 97 | 11.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 2380 | S | 20.8 | Very low | 23.1 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | trans | 44.5 | 126.2 | 146.9 | -140.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2381 | M | 25 | Very low | 23.1 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | -155.7 | 140.6 | 61 | -84.7 | -174.1 | 179.8 | 0 | 0 | 111 | |||||
| 2382 | M | 21.5 | Very low | 23.3 | Very low | 176 Ų | 176 | 120.7 Ų | 120.7 | 87% | 0.867 | 66% | 0.66 | S | S | * | * | 52.5 | 64 | 79.3 | -66.1 | -170.6 | 69.1 | 0 | 0 | 115.1 | |||||
| 2383 | V | 28 | Very low | 23.3 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | trans | -126 | 136.6 | 143.2 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2384 | N | 26.6 | Very low | 23.6 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | -10.9 | 134.9 | 174.7 | -62.1 | -45.1 | 0 | 0 | 0 | 119 | ||||
| 2385 | N | 22.4 | Very low | 23.6 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | 66.8 | 151.2 | 53.4 | -170.8 | 22.6 | 0 | 0 | 0 | 112.4 | |||||
| 2386 | Q | 23.7 | Very low | 23.7 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 65% | 0.654 | 69% | 0.687 | S | S | * | * | trans | 89.9 | 110.3 | 173 | -57.1 | -162.3 | 5.4 | 0 | 0 | 118.6 | ||||
| 2387 | N | 27.3 | Very low | 23.8 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | trans | 85.3 | 122.4 | 137.5 | -52.4 | -12.6 | 0 | 0 | 0 | 116.6 | ||||
| 2388 | T | 21.7 | Very low | 24.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | cis | 60 | 158.3 | 37.9 | 90.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2389 | P | 26.7 | Very low | 24.3 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -121.4 | 153.8 | 1 | 45.5 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 2390 | S | 20.9 | Very low | 24.4 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | 63.7 | 148.1 | 83.5 | 106.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 2391 | I | 21.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 76.2 | 89.5 | 159.6 | -59 | 160.1 | 0 | 0 | 0 | 116.6 | S2393 | I2391-S2393 WeakPolarHBondContact CG2-OG 3.14Š| ||
| 2392 | I | 26.5 | Very low | 24.5 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | -137.5 | 119.8 | 107.7 | -55.8 | -175.7 | 0 | 0 | 0 | 105 | |||||
| 2393 | S | 20.7 | Very low | 24.8 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | cis | 81.6 | 90.2 | 16.6 | 91.4 | 0 | 0 | 0 | 0 | 117.1 | I2391 | I2391-S2393 WeakPolarHBondContact CG2-OG 3.14Š| ||
| 2394 | I | 26.8 | Very low | 24.6 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | -153.7 | 123.9 | 153.9 | -100 | 144.9 | 0 | 0 | 0 | 109.6 | ||||
| 2395 | S | 24.2 | Very low | 24.6 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | 30.4 | 141.1 | 152.6 | 90.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2396 | K | 27 | Very low | 24.7 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | cis | -143 | 149 | 13.9 | -62.7 | 170 | -175.5 | 165.5 | 0 | 108.3 | ||||
| 2397 | Q | 23.6 | Very low | 24.6 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | cis | 68.5 | 93.4 | 41.4 | -75.3 | -164.5 | -22.6 | 0 | 0 | 116.9 | ||||
| 2398 | R | 26.4 | Very low | 24.6 | Very low | 237 Ų | 237 | 143 Ų | 143 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 177.9 | 123.8 | 125.2 | -95.3 | 166.4 | -172.2 | -169.2 | 0.9 | 106.4 | |||||
| 2399 | H | 26.8 | Very low | 24.8 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | cis | 66.4 | 108.4 | 23.7 | -130.8 | -30.8 | 0 | 0 | 0 | 113.4 | ||||
| 2400 | C | 25.2 | Very low | 24.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -59.6 | 152.9 | 179.9 | -41.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2401 | Q | 21.3 | Very low | 25.1 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -79 | 140.8 | 170.4 | -68.2 | 167.4 | -86.5 | 0 | 0 | 110.7 | ||||
| 2402 | T | 25 | Very low | 25.2 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -141.9 | 132.7 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2403 | H | 27.8 | Very low | 25 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 68.1 | 146.3 | -179.6 | -82.6 | -79.4 | 0 | 0 | 0 | 118.6 | ||||
| 2404 | V | 24.4 | Very low | 25.2 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -141.9 | 143 | -163.3 | 169.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 2405 | H | 27.6 | Very low | 25.1 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | 176.7 | 128.8 | 147.6 | -88.6 | -53.9 | 0 | 0 | 0 | 106.3 | ||||
| 2406 | G | 23.7 | Very low | 24.9 | Very low | 59 Ų | 59 | 151.8 Ų | 151.8 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | cis | -167.3 | 167.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2407 | D | 22.6 | Very low | 24.6 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | -140.7 | 178.9 | 1.3 | -57.5 | -55 | 0 | 0 | 0 | 106.5 | ||||
| 2408 | V | 25.5 | Very low | 24.4 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -153.6 | 145.6 | 27.1 | -176.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 2409 | S | 27.6 | Very low | 24.3 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 143.3 | 165.6 | 55.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2410 | E | 27.5 | Very low | 24.1 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | cis | -157.6 | 139.1 | -7.2 | -115.5 | 156.8 | -145.5 | 0 | 0 | 113 | ||||
| 2411 | E | 25.6 | Very low | 24 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 44.2 | 117.7 | 149.6 | -60.4 | -173.2 | 170 | 0 | 0 | 128.5 | ||||
| 2412 | E | 22.7 | Very low | 24.2 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | 62.8 | 130 | 125.5 | -54.5 | -150 | 149.5 | 0 | 0 | 128.7 | |||||
| 2413 | G | 23.1 | Very low | 24.2 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | 120.2 | 122.3 | 121.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2414 | G | 25.3 | Very low | 24.1 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 159.5 | 139.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2415 | V | 23.3 | Very low | 24 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | trans | -111.8 | 170.1 | -169.9 | 171.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 2416 | K | 20.9 | Very low | 23.7 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -80.5 | 161.3 | 179.8 | -63.3 | 173.6 | 141.4 | -139.8 | 0 | 115.9 | ||||
| 2417 | E | 20.9 | Very low | 23.6 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 64.2 | 137.5 | 137.9 | -83.3 | 167.2 | -133 | 0 | 0 | 121.7 | ||||
| 2418 | K | 20.2 | Very low | 23.5 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 81.7 | 124.3 | 159.8 | -76.9 | -175.8 | 153.5 | -79.5 | 0 | 120.2 | ||||
| 2419 | D | 22.3 | Very low | 23.3 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | 47.1 | 104.5 | 127.2 | -39.3 | -14.9 | 0 | 0 | 0 | 117.6 | |||||
| 2420 | N | 23.7 | Very low | 23 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | -150.4 | 141.9 | 126.2 | -106 | -2.9 | 0 | 0 | 0 | 108.7 | |||||
| 2421 | D | 22.2 | Very low | 22.8 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -64 | 166.9 | 162 | -48.1 | -86.8 | 0 | 0 | 0 | 110.2 | ||||
| 2422 | N | 26.4 | Very low | 22.6 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -170.5 | 125.9 | 139.2 | -107.5 | 61.7 | 0 | 0 | 0 | 107.1 | ||||
| 2423 | D | 25.8 | Very low | 22.5 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | 47.3 | 141 | 126.4 | -38 | -3.9 | 0 | 0 | 0 | 120.2 | |||||
| 2424 | D | 23.8 | Very low | 22.5 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | cis | -171.6 | 165.7 | -16.9 | -105.7 | -32.1 | 0 | 0 | 0 | 107.5 | ||||
| 2425 | E | 22.6 | Very low | 22.3 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 59.7 | 141.1 | 146.5 | -74.7 | 171.7 | -177.5 | 0 | 0 | 118.8 | ||||
| 2426 | E | 21.6 | Very low | 22.2 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | 54.3 | 134 | 82.5 | -47.3 | -175 | 167.2 | 0 | 0 | 112.9 | |||||
| 2427 | D | 21.2 | Very low | 22.3 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -155.5 | -177.6 | 13.2 | -147.1 | -1.1 | 0 | 0 | 0 | 114 | ||||
| 2428 | D | 20.6 | Very low | 22.5 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | trans | -37 | 150.9 | 164.9 | -79.9 | -27.6 | 0 | 0 | 0 | 115.6 | ||||
| 2429 | L | 22.7 | Very low | 22.6 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | 178.9 | 116.3 | 113.3 | -92.5 | 153.7 | 0 | 0 | 0 | 114 | |||||
| 2430 | Y | 21.6 | Very low | 22.6 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | 21.3 | 131.1 | 136.8 | -70.9 | -109.6 | 0 | 0 | 0 | 119.9 | ||||
| 2431 | N | 22.9 | Very low | 22.8 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | -170.7 | 166.1 | 91.7 | -93.9 | -70.2 | 0 | 0 | 0 | 112.1 | |||||
| 2432 | D | 20.4 | Very low | 22.9 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | -90 | 178.5 | -174.3 | -52.9 | -89.5 | 0 | 0 | 0 | 114.4 | ||||
| 2433 | D | 20.5 | Very low | 22.8 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | 65.3 | 148.1 | 164.1 | -53.1 | -35.8 | 0 | 0 | 0 | 117.4 | ||||
| 2434 | E | 24 | Very low | 22.9 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | cis | -141 | -176.3 | 23.3 | -86 | -165 | 145.9 | 0 | 0 | 113.8 | ||||
| 2435 | E | 20.2 | Very low | 22.9 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -78.4 | 172.5 | 173.3 | -55.6 | -177.7 | 108.5 | 0 | 0 | 115.1 | ||||
| 2436 | E | 21.5 | Very low | 22.9 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 47.2 | 101.2 | 142.5 | -85.7 | -146.7 | 112.8 | 0 | 0 | 121.5 | ||||
| 2437 | K | 22.5 | Very low | 23 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 64% | 0.635 | 77% | 0.774 | S | S | * | * | 149 | 164.8 | 107.3 | -83.8 | 155.8 | -177.3 | 114.8 | 0 | 115.5 | |||||
| 2438 | H | 25.4 | Very low | 23.3 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 99.9 | 164.5 | -62.9 | -60.6 | 0 | 0 | 0 | 116.2 | ||||
| 2439 | A | 22.1 | Very low | 23.4 | Very low | 93 Ų | 93 | 153.7 Ų | 153.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | 61.7 | 141.3 | 43 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2440 | S | 23.8 | Very low | 23.5 | Very low | 91 Ų | 91 | 151.2 Ų | 151.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | 89 | 61.7 | 173.6 | -166.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2441 | I | 27.4 | Very low | 23.6 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | -127.2 | 96.4 | 121.7 | -55.6 | -179.4 | 0 | 0 | 0 | 105.7 | |||||
| 2442 | L | 23.4 | Very low | 23.7 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 70.5 | 73.3 | 45.9 | -160.7 | 81.6 | 0 | 0 | 0 | 113.6 | ||||
| 2443 | N | 25.5 | Very low | 23.9 | Very low | 141 Ų | 141 | 159.6 Ų | 159.6 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | 170.9 | 55.5 | 132.2 | -87 | -24.5 | 0 | 0 | 0 | 114.3 | ||||
| 2444 | H | 27 | Very low | 24 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -158.4 | 44.4 | 156.9 | -114.1 | 52.2 | 0 | 0 | 0 | 114 | ||
| 2445 | A | 23.7 | Very low | 24 | Very low | 100 Ų | 100 | 160.8 Ų | 160.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -122.3 | 70.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2446 | K | 23.3 | Very low | 24.1 | Very low | 199 Ų | 199 | 160.7 Ų | 160.7 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -162.3 | 32.1 | -177.7 | -128.3 | 174 | -171.3 | 179.2 | 0 | 116.6 | ||
| 2447 | E | 24.3 | Very low | 24.2 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -157.7 | 160.3 | 162.8 | -115.6 | 162.7 | -167.1 | 0 | 0 | 109.6 | E2449 | E2447-E2449 PolarHBondContact O-N 3.5Š|
| 2448 | C | 27.1 | Very low | 24.2 | Very low | 123 Ų | 123 | 161.9 Ų | 161.9 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 75.6 | -21.4 | -173.9 | -61.5 | 0 | 0 | 0 | 0 | 119 | S2450 | C2448-S2450 PolarHBondContact O-N 2.91Š|
| 2449 | E | 23.3 | Very low | 24.1 | Very low | 195 Ų | 195 | 162.2 Ų | 162.2 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -82.6 | 40.8 | 165.4 | -154.3 | 167.6 | -139.9 | 0 | 0 | 111.5 | E2447 | E2447-E2449 PolarHBondContact O-N 3.5Š|
| 2450 | S | 23.4 | Very low | 24.3 | Very low | 105 Ų | 105 | 165.8 Ų | 165.8 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -156.3 | 56.8 | -172.4 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | C2448 | C2448-S2450 PolarHBondContact O-N 2.91Š|
| 2451 | K | 23.6 | Very low | 24.2 | Very low | 190 Ų | 190 | 165.4 Ų | 165.4 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -157.4 | 5.5 | 174.5 | -118.8 | 162.6 | -170.5 | 171.3 | 0 | 117.2 | ||
| 2452 | W | 26.2 | Very low | 24 | Very low | 252 Ų | 252 | 160.2 Ų | 160.2 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -125.8 | 21.9 | 179.7 | -78.8 | 72.1 | 0 | 0 | 0 | 113.6 | ||
| 2453 | Q | 22.7 | Very low | 24.1 | Very low | 193 Ų | 193 | 162.3 Ų | 162.3 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -135 | 66 | 163.7 | -81.7 | -162.2 | -27.5 | 0 | 0 | 110.3 | ||
| 2454 | E | 23.2 | Very low | 24 | Very low | 192 Ų | 192 | 165.2 Ų | 165.2 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -168.6 | 56.6 | 165.5 | -123.3 | 177.1 | -160.6 | 0 | 0 | 112.3 | ||
| 2455 | K | 24 | Very low | 23.9 | Very low | 180 Ų | 180 | 160.6 Ų | 160.6 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -160.9 | 29.4 | 168.5 | -121.3 | 177.8 | -172.4 | -148.6 | 0 | 119 | ||||
| 2456 | D | 23.7 | Very low | 23.9 | Very low | 175 Ų | 175 | 165 Ų | 165 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -105.5 | 30.6 | 175.4 | -90.9 | -51.3 | 0 | 0 | 0 | 114.4 | ||
| 2457 | T | 22.4 | Very low | 23.7 | Very low | 121 Ų | 121 | 161.7 Ų | 161.7 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -141.6 | 143.5 | 164.4 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 2458 | Q | 22.3 | Very low | 23.6 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 70.8 | 56.5 | 172.4 | -52.9 | -172 | -0 | 0 | 0 | 118.8 | ||
| 2459 | E | 24.3 | Very low | 23.3 | Very low | 178 Ų | 178 | 156.3 Ų | 156.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -152 | 52.9 | 151.8 | -132.8 | 161.9 | -136.8 | 0 | 0 | 114.6 | ||||
| 2460 | L | 25.2 | Very low | 23.2 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 34.6 | 179.8 | -112.2 | 174.5 | 0 | 0 | 0 | 115.1 | ||||
| 2461 | T | 22.9 | Very low | 23.1 | Very low | 83 Ų | 83 | 154.7 Ų | 154.7 | 51% | 0.509 | 79% | 0.787 | S | S | . | * | S | Bend | trans | -145.6 | 131.8 | 164.2 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | R436 | R436-T2461 VanDerWaalsContact NH1-CB 3.32Å; R436-T2461 PolarHBondContact NH1-OG1 2.94Å; R436-T2461 PolarHBondContact NH2-OG1 3.23Å |
| 2462 | G | 23.3 | Very low | 23.1 | Very low | 68 Ų | 68 | 154.7 Ų | 154.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 101.4 | 9.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2463 | L | 24.5 | Very low | 22.9 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -114.9 | 45.1 | 164.3 | -89.7 | 174.8 | 0 | 0 | 0 | 113.7 | ||||
| 2464 | F | 23.7 | Very low | 22.9 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -105.1 | 102.2 | 137.5 | -115 | -85.9 | 0 | 0 | 0 | 107 | ||||
| 2465 | V | 24.7 | Very low | 22.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | trans | 173.4 | 93.1 | 142.4 | 157.3 | 0 | 0 | 0 | 0 | 106.1 | N2467 | V2465-N2467 HydrophobicContact CG1-CB 4.45Š| ||
| 2466 | Q | 23.6 | Very low | 23.1 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -97.9 | 95 | 137.5 | -87.1 | -172.8 | -25.1 | 0 | 0 | 106.4 | ||||
| 2467 | N | 19.8 | Very low | 23 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -67 | 122.7 | 134.3 | -80.1 | 9 | 0 | 0 | 0 | 104.3 | V2465 | V2465-N2467 HydrophobicContact CG1-CB 4.45Š| ||
| 2468 | S | 22.4 | Very low | 23.1 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | 61.9 | 134.4 | 67.6 | 83.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2469 | S | 20.8 | Very low | 23.2 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 80.6 | 138.4 | -171.8 | 93.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2470 | E | 20.6 | Very low | 23 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | cis | -159.5 | 155.9 | -9.9 | -124.7 | 173.8 | -124.4 | 0 | 0 | 113.9 | ||||
| 2471 | N | 21.4 | Very low | 22.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 57% | 0.572 | 72% | 0.722 | S | S | * | * | trans | 46.3 | 91 | 146.3 | -66.5 | -33.8 | 0 | 0 | 0 | 120.6 | ||||
| 2472 | Q | 24 | Very low | 22.7 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | -160 | 113.9 | 117 | -103.9 | 146.8 | 94.9 | 0 | 0 | 109 | |||||
| 2473 | S | 21.4 | Very low | 22.8 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | 75.1 | 80.7 | 24.3 | 101 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2474 | S | 21.9 | Very low | 22.6 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | 174.9 | 145.9 | 137.6 | 38.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2475 | K | 21.7 | Very low | 22.6 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | cis | -171.1 | 178.4 | -19.5 | -121.6 | 173.4 | -176 | 177.4 | 0 | 107.2 | ||||
| 2476 | P | 29.8 | Very low | 22.5 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | -111.1 | -168.4 | -84.2 | 33.8 | -11.1 | 0 | 0 | 0 | 110.8 | |||||
| 2477 | Q | 21.5 | Very low | 22.5 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | -172.8 | 144.4 | 79.9 | -90.6 | -169.2 | -81.7 | 0 | 0 | 113.3 | |||||
| 2478 | H | 26.3 | Very low | 22.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | trans | 73.8 | 111.6 | 144.7 | -79.2 | -120.6 | 0 | 0 | 0 | 122.5 | ||||
| 2479 | Q | 22.8 | Very low | 22.5 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | 75.7 | 147.3 | 120.9 | -70.7 | -173.6 | -53.3 | 0 | 0 | 121.2 | |||||
| 2480 | T | 20.3 | Very low | 22.6 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | cis | -176.4 | 172.3 | -39.5 | 21 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2481 | Y | 22.6 | Very low | 22.6 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | 82.3 | 111.4 | 164.4 | -74.4 | -81.5 | 0 | 0 | 0 | 118.8 | ||||
| 2482 | E | 20.6 | Very low | 22.6 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | 48.3 | 157.9 | 108.7 | -62.6 | -179.5 | -160.8 | 0 | 0 | 120.3 | |||||
| 2483 | Q | 23.7 | Very low | 22.5 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | -152.3 | 175.4 | 20.9 | -146.4 | 164.7 | 71.4 | 0 | 0 | 113 | ||||
| 2484 | H | 21.4 | Very low | 22.7 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -70.7 | 154.3 | -175.3 | -56.3 | -106.4 | 0 | 0 | 0 | 115.6 | ||||
| 2485 | L | 23.9 | Very low | 22.7 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | -166.4 | 169.4 | 127.6 | -108 | 158.9 | 0 | 0 | 0 | 112.1 | |||||
| 2486 | S | 21.8 | Very low | 22.7 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | trans | -128.8 | 155.7 | -157.9 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2487 | K | 23 | Very low | 22.5 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 44% | 0.435 | 74% | 0.744 | S | S | . | * | trans | 44.7 | 102.1 | 154.8 | -76 | 175.2 | 164.9 | 158.9 | 0 | 119.4 | D377 E378 | D377-K2487 WeakPolarHBondContact OD1-CE 3.49Å; D377-K2487 IonicContact OD1-NZ 3.37Å; D377-K2487 PolarHBondContact OD1-NZ 2.99Å; D377-K2487 WeakPolarHBondContact OD2-CE 3.48Å; D377-K2487 IonicContact OD2-NZ 3.78Å; D377-K2487 PolarHBondContact OD2-NZ 3.47Å; E378-K2487 VanDerWaalsContact CD-NZ 3.34Å; E378-K2487 WeakPolarHBondContact OE1-CE 3.49Å; E378-K2487 IonicContact OE1-NZ 2.85Å; E378-K2487 PolarHBondContact OE1-NZ 3.05Å | ||
| 2488 | S | 21.2 | Very low | 22.5 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | 162.7 | 156.3 | 94.9 | 55 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2489 | G | 22.7 | Very low | 22.4 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | 138.7 | 141.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2490 | K | 22.2 | Very low | 22.3 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | trans | -99.4 | 161 | -176.4 | -69.2 | 178.5 | -179.4 | 173.8 | 0 | 112 | ||||
| 2491 | S | 20.6 | Very low | 22.5 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 88.5 | 141.5 | 158.1 | 83.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2492 | N | 20.9 | Very low | 22.5 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 68.5 | 130.9 | 147.4 | -59.4 | -7.7 | 0 | 0 | 0 | 122.2 | ||||
| 2493 | N | 22.1 | Very low | 22.6 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 68.5 | 99.9 | 149.9 | -61.9 | -9 | 0 | 0 | 0 | 120.1 | ||||
| 2494 | A | 25 | Very low | 22.7 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -128.6 | 92 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2495 | N | 22.8 | Very low | 22.7 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 158.8 | 152.6 | -68.1 | -32 | 0 | 0 | 0 | 108.3 | ||||
| 2496 | N | 22.8 | Very low | 22.7 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | cis | -162.8 | 144.2 | -4.2 | -123.7 | -22.7 | 0 | 0 | 0 | 107.6 | ||||
| 2497 | T | 24.6 | Very low | 22.8 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -165 | 127.8 | 137.6 | 2.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2498 | I | 22.3 | Very low | 22.9 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 138.4 | 178.8 | -74 | 158.8 | 0 | 0 | 0 | 106.7 | ||||
| 2499 | P | 22.9 | Very low | 23.4 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | -146.8 | 138.5 | 95.9 | 37.5 | -18.8 | 0 | 0 | 0 | 117.7 | |||||
| 2500 | T | 21.3 | Very low | 23.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | 37.8 | 105.8 | 141.3 | 58.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2501 | N | 23.9 | Very low | 24.8 | Very low | 162 Ų | 162 | 122.1 Ų | 122.1 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | trans | -153.8 | 155.1 | 133.2 | -117.6 | -61.1 | 0 | 0 | 0 | 113.2 | G2503 | N2501-G2503 PolarHBondContact O-N 2.92Š| ||
| 2502 | T | 23.1 | Very low | 25.8 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -77.8 | 116.5 | -176.2 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2503 | G | 22.9 | Very low | 27.2 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | trans | -133 | 125.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | N2501 L2505 | N2501-G2503 PolarHBondContact O-N 2.92Å; G2503-L2505 PolarHBondContact O-N 3.47Å | ||
| 2504 | H | 25.1 | Very low | 29 | Very low | 176 Ų | 176 | 115.7 Ų | 115.7 | 82% | 0.815 | 66% | 0.664 | S | S | * | * | trans | -72.5 | 120.2 | 169.5 | -99.8 | 9.1 | 0 | 0 | 0 | 110.6 | ||||
| 2505 | L | 22.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 115.2 Ų | 115.2 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | trans | -82 | 109.1 | 161.1 | -77.9 | 163.9 | 0 | 0 | 0 | 109 | G2503 | G2503-L2505 PolarHBondContact O-N 3.47Š| ||
| 2506 | T | 24.2 | Very low | 33.4 | Very low | 50 Ų | 50 | 111.4 Ų | 111.4 | 31% | 0.307 | 62% | 0.623 | S | S | . | * | trans | -118.6 | 106.2 | 166.5 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | N745 | N745-T2506 PolarHBondContact OD1-O 3.4Å; N745-T2506 PolarHBondContact OD1-OG1 2.78Å | ||
| 2507 | T | 23.2 | Very low | 36.2 | Very low | 107 Ų | 107 | 106 Ų | 106 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | trans | -94.3 | 153.9 | 157.2 | 47.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 2508 | N | 25.6 | Very low | 39 | Very low | 104 Ų | 104 | 106.5 Ų | 106.5 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | trans | 54.3 | 117.8 | 177.1 | -61.9 | -8.3 | 0 | 0 | 0 | 117.6 | ||||
| 2509 | R | 31.8 | Very low | 42 | Very low | 123 Ų | 123 | 100.1 Ų | 100.1 | 46% | 0.464 | 55% | 0.553 | S | S | . | * | trans | -143.7 | -10.7 | 170 | -74.6 | -163.5 | -175.2 | -165.5 | 4.5 | 115 | S2511 | R2509-S2511 VanDerWaalsContact C-N 3.3Å; R2509-S2511 PolarHBondContact O-N 2.85Å | ||
| 2510 | L | 30.9 | Very low | 45.2 | Very low | 161 Ų | 161 | 94.8 Ų | 94.8 | 84% | 0.843 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.9 | -173.5 | -75.1 | 167.8 | 0 | 0 | 0 | 114.2 | ||
| 2511 | S | 41.7 | Very low | 48.4 | Very low | 55 Ų | 55 | 89.1 Ų | 89.1 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -34.2 | 175.3 | 42.8 | 0 | 0 | 0 | 0 | 113.8 | R2509 | R2509-S2511 VanDerWaalsContact C-N 3.3Å; R2509-S2511 PolarHBondContact O-N 2.85Å |
| 2512 | D | 43.4 | Very low | 51.7 | Low | 97 Ų | 97 | 81.9 Ų | 81.9 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -91.1 | -15.2 | -159.5 | -67.2 | 24.7 | 0 | 0 | 0 | 113.6 | ||
| 2513 | D | 49.9 | Very low | 54.9 | Low | 110 Ų | 110 | 75 Ų | 75 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -97.4 | -8.4 | -171.9 | -76.7 | -36.6 | 0 | 0 | 0 | 114.3 | E2515 | D2513-E2515 PolarHBondContact O-N 3.45Š|
| 2514 | V | 59.7 | Low | 58.3 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | trans | -76.4 | 106.4 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110.1 | F2324 Y2327 I2516 | F2324-V2514 HydrophobicContact CD2-CG1 4.32Å; Y2327-V2514 HydrophobicContact CD1-CG1 4.48Å; Y2327-V2514 HydrophobicContact CD2-CG2 4.45Å; V2514-I2516 PolarHBondContact O-N 2.91Å | ||
| 2515 | E | 64.4 | Low | 61.6 | Low | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | trans | -69.6 | 118.3 | 178.9 | -173 | 157.7 | -100.4 | 0 | 0 | 111.6 | T2320 D2513 R2607 | T2320-E2515 VanDerWaalsContact CG2-O 3.27Å; T2320-E2515 WeakPolarHBondContact CG2-O 3.06Å; D2513-E2515 PolarHBondContact O-N 3.45Å; E2515-R2607 IonicContact OE1-NH1 3.75Å; E2515-R2607 PolarHBondContact OE1-NH1 3.49Å | ||
| 2516 | I | 75 | Confident | 65 | Low | 53 Ų | 53 | 56.5 Ų | 56.5 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | trans | -79.6 | 124.5 | -175 | -62.9 | 174.2 | 0 | 0 | 0 | 109.6 | N2295 A2298 F2324 V2514 K2518 | N2295-I2516 HydrophobicContact CB-CD1 3.85Å; N2295-I2516 WeakPolarHBondContact OD1-CD1 3.41Å; A2298-I2516 HydrophobicContact CB-CG2 3.89Å; F2324-I2516 HydrophobicContact CD2-CG1 4.39Å; F2324-I2516 HydrophobicContact CE2-CG1 3.92Å; F2324-I2516 HydrophobicContact CE2-CG2 4.28Å; F2324-I2516 HydrophobicContact CZ-CG2 4.31Å; V2514-I2516 PolarHBondContact O-N 2.91Å; I2516-K2518 PolarHBondContact O-N 2.94Å | ||
| 2517 | P | 82.6 | Confident | 68.3 | Low | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -73 | 97.5 | 179.7 | 29.5 | -34 | 0 | 0 | 0 | 110.1 | L2317 T2320 I2321 F2324 A2519 L2520 | L2317-P2517 HydrophobicContact CD1-CB 4.37Å; T2320-P2517 HydrophobicContact CG2-CB 3.96Å; T2320-P2517 HydrophobicContact CG2-CG 4.43Å; I2321-P2517 HydrophobicContact CG1-CB 3.71Å; I2321-P2517 HydrophobicContact CG1-CG 3.93Å; F2324-P2517 HydrophobicContact CB-CG 4.01Å; F2324-P2517 HydrophobicContact CD1-CG 4.06Å; F2324-P2517 HydrophobicContact CG-CG 4.11Å; P2517-A2519 PolarHBondContact O-N 2.84Å; P2517-A2519 VanDerWaalsContact O-N 3.08Å; P2517-L2520 HydrophobicContact CB-CG 4.43Å; P2517-L2520 HydrophobicContact CG-CD1 3.71Å; P2517-L2520 HydrophobicContact CG-CG 3.94Å; P2517-L2520 PolarHBondContact O-N 3.32Å | ||
| 2518 | K | 82.8 | Confident | 71.7 | Confident | 158 Ų | 158 | 49.1 Ų | 49.1 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.9 | -47.1 | -179 | -71.9 | -169 | 175.6 | -170.6 | 0 | 112.9 | I2516 L2520 S2521 D2522 | I2516-K2518 PolarHBondContact O-N 2.94Å; K2518-L2520 PolarHBondContact O-N 3.37Å; K2518-S2521 WeakPolarHBondContact O-CA 3.46Å; K2518-S2521 WeakPolarHBondContact O-CB 3.38Å; K2518-S2521 PolarHBondContact O-N 3.28Å; K2518-D2522 PolarHBondContact O-N 2.89Å |
| 2519 | A | 85.9 | Confident | 74.8 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.1 | -13.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y2253 F2310 L2317 P2517 D2522 I2523 | Y2253-A2519 WeakPolarHBondContact OH-CB 3.35Å; F2310-A2519 HydrophobicContact CE1-CB 4.43Å; F2310-A2519 HydrophobicContact CE2-CB 4.46Å; F2310-A2519 HydrophobicContact CZ-CB 3.77Å; L2317-A2519 HydrophobicContact CD1-CB 4.27Å; L2317-A2519 HydrophobicContact CD2-CB 4.27Å; P2517-A2519 PolarHBondContact O-N 2.84Å; P2517-A2519 VanDerWaalsContact O-N 3.08Å; A2519-D2522 VanDerWaalsContact CA-OD2 3.31Å; A2519-D2522 WeakPolarHBondContact CA-OD2 3.44Å; A2519-I2523 WeakPolarHBondContact O-CG1 3.42Å; A2519-I2523 WeakPolarHBondContact O-CG2 3.45Å; A2519-I2523 PolarHBondContact O-N 2.96Å |
| 2520 | L | 88.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81.9 | -24 | 168.4 | -63.4 | -172 | 0 | 0 | 0 | 113.5 | A2298 A2301 V2302 H2307 I2321 F2324 P2517 K2518 I2523 | A2298-L2520 HydrophobicContact CB-CB 3.88Å; A2301-L2520 HydrophobicContact CB-CB 4.33Å; A2301-L2520 WeakPolarHBondContact CB-O 3.34Å; V2302-L2520 HydrophobicContact CG2-CD1 3.69Å; H2307-L2520 HydrophobicContact CB-CD2 4Å; I2321-L2520 HydrophobicContact CD1-CD2 3.98Å; I2321-L2520 HydrophobicContact CD1-CG 4.39Å; I2321-L2520 HydrophobicContact CG1-CD1 4.24Å; I2321-L2520 HydrophobicContact CG1-CD2 4.15Å; I2321-L2520 HydrophobicContact CG1-CG 4.12Å; I2321-L2520 HydrophobicContact CG2-CD1 4.3Å; I2321-L2520 HydrophobicContact CG2-CD2 4.4Å; F2324-L2520 HydrophobicContact CD1-CD1 3.96Å; F2324-L2520 HydrophobicContact CE1-CD1 4.37Å; P2517-L2520 HydrophobicContact CB-CG 4.43Å; P2517-L2520 HydrophobicContact CG-CD1 3.71Å; P2517-L2520 HydrophobicContact CG-CG 3.94Å; P2517-L2520 PolarHBondContact O-N 3.32Å; K2518-L2520 PolarHBondContact O-N 3.37Å; L2520-I2523 HydrophobicContact CD2-CD1 3.91Å; L2520-I2523 WeakPolarHBondContact O-CG1 3.24Å |
| 2521 | S | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.9 | -52.3 | 165.4 | -159.2 | 0 | 0 | 0 | 0 | 110.4 | N2294 F2297 K2518 I2523 F2524 E2525 | N2294-S2521 WeakPolarHBondContact CA-OG 3.42Å; N2294-S2521 VanDerWaalsContact CB-OG 3.28Å; N2294-S2521 WeakPolarHBondContact CB-OG 3.4Å; N2294-S2521 PolarHBondContact ND2-OG 3.5Å; F2297-S2521 WeakPolarHBondContact CB-OG 3.37Å; K2518-S2521 WeakPolarHBondContact O-CA 3.46Å; K2518-S2521 WeakPolarHBondContact O-CB 3.38Å; K2518-S2521 PolarHBondContact O-N 3.28Å; S2521-I2523 PolarHBondContact O-N 3.36Å; S2521-I2523 VanDerWaalsContact O-N 3.09Å; S2521-F2524 WeakPolarHBondContact O-CA 3.25Å; S2521-F2524 VanDerWaalsContact O-CB 3.27Å; S2521-F2524 WeakPolarHBondContact O-CB 3.35Å; S2521-F2524 PolarHBondContact O-N 3.49Å; S2521-E2525 WeakPolarHBondContact CB-OE1 3.45Å; S2521-E2525 PolarHBondContact O-N 3.46Å; S2521-E2525 PolarHBondContact OG-OE1 3.39Å |
| 2522 | D | 91.4 | Very high | 83.1 | Confident | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.2 | -30.9 | -174.5 | -34.9 | -5.1 | 0 | 0 | 0 | 112.4 | Y2253 E2257 K2518 A2519 S2526 | Y2253-D2522 HydrophobicContact CD2-CB 3.93Å; Y2253-D2522 HydrophobicContact CE2-CB 3.24Å; Y2253-D2522 WeakPolarHBondContact CE2-OD2 3.33Å; Y2253-D2522 PolarHBondContact OH-OD2 3.14Å; E2257-D2522 HydrophobicContact CG-CB 3.99Å; K2518-D2522 PolarHBondContact O-N 2.89Å; A2519-D2522 VanDerWaalsContact CA-OD2 3.31Å; A2519-D2522 WeakPolarHBondContact CA-OD2 3.44Å; D2522-S2526 VanDerWaalsContact O-CB 3.23Å; D2522-S2526 WeakPolarHBondContact O-CB 3.48Å; D2522-S2526 PolarHBondContact O-N 3.22Å; D2522-S2526 PolarHBondContact O-OG 2.9Å |
| 2523 | I | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -77.1 | -25.5 | 173.3 | 64.1 | 179.1 | 0 | 0 | 0 | 114.4 | F2221 Y2253 L2306 F2310 A2519 L2520 S2521 S2526 L2527 | F2221-I2523 HydrophobicContact CE1-CD1 4.44Å; Y2253-I2523 HydrophobicContact CD1-CG2 4.26Å; Y2253-I2523 HydrophobicContact CE1-CG2 4.38Å; L2306-I2523 HydrophobicContact CB-CD1 4.11Å; F2310-I2523 HydrophobicContact CB-CD1 4.39Å; F2310-I2523 HydrophobicContact CD2-CD1 4.16Å; F2310-I2523 HydrophobicContact CD2-CG2 3.64Å; F2310-I2523 HydrophobicContact CE2-CG2 3.65Å; F2310-I2523 HydrophobicContact CG-CD1 4.44Å; A2519-I2523 WeakPolarHBondContact O-CG1 3.42Å; A2519-I2523 WeakPolarHBondContact O-CG2 3.45Å; A2519-I2523 PolarHBondContact O-N 2.96Å; L2520-I2523 HydrophobicContact CD2-CD1 3.91Å; L2520-I2523 WeakPolarHBondContact O-CG1 3.24Å; S2521-I2523 PolarHBondContact O-N 3.36Å; S2521-I2523 VanDerWaalsContact O-N 3.09Å; I2523-S2526 VanDerWaalsContact CA-OG 3.3Å; I2523-S2526 WeakPolarHBondContact CA-OG 3.47Å; I2523-L2527 WeakPolarHBondContact O-CB 3.22Å; I2523-L2527 PolarHBondContact O-N 3.16Å; I2523-L2527 VanDerWaalsContact O-N 3.09Å |
| 2524 | F | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.9 | -44.4 | 174.1 | -173.4 | -93 | 0 | 0 | 0 | 109.8 | L2264 F2297 L2300 I2304 L2306 S2521 A2528 F2546 I2549 M2550 | L2264-F2524 HydrophobicContact CD1-CD1 3.99Å; L2264-F2524 HydrophobicContact CD1-CE1 4.11Å; F2297-F2524 HydrophobicContact CB-CB 4.18Å; F2297-F2524 HydrophobicContact CB-CD1 3.74Å; F2297-F2524 HydrophobicContact CB-CE1 4.35Å; F2297-F2524 HydrophobicContact CB-CG 4.08Å; F2297-F2524 AromaticContact CD1-CD1 3.57Å; F2297-F2524 HydrophobicContact CD1-CD1 3.57Å; F2297-F2524 AromaticContact CD1-CE1 3.37Å; F2297-F2524 HydrophobicContact CD1-CE1 3.37Å; F2297-F2524 HydrophobicContact CD1-CZ 4.27Å; F2297-F2524 HydrophobicContact CD2-CD1 4.45Å; F2297-F2524 HydrophobicContact CE1-CD1 4.26Å; F2297-F2524 AromaticContact CE1-CE1 3.83Å; F2297-F2524 HydrophobicContact CE1-CE1 3.83Å; F2297-F2524 AromaticContact CG-CD1 3.68Å; F2297-F2524 HydrophobicContact CG-CD1 3.68Å; F2297-F2524 HydrophobicContact CG-CE1 4Å; L2300-F2524 HydrophobicContact CB-CD2 4.41Å; L2300-F2524 HydrophobicContact CB-CE2 3.85Å; L2300-F2524 HydrophobicContact CB-CZ 4.3Å; L2300-F2524 HydrophobicContact CD1-CE2 4.29Å; L2300-F2524 HydrophobicContact CD1-CZ 3.9Å; I2304-F2524 HydrophobicContact CD1-CD2 4.24Å; I2304-F2524 HydrophobicContact CD1-CE2 3.85Å; L2306-F2524 HydrophobicContact CD1-CD2 4.16Å; S2521-F2524 WeakPolarHBondContact O-CA 3.25Å; S2521-F2524 VanDerWaalsContact O-CB 3.27Å; S2521-F2524 WeakPolarHBondContact O-CB 3.35Å; S2521-F2524 PolarHBondContact O-N 3.49Å; F2524-A2528 PolarHBondContact O-N 2.71Å; F2524-F2546 HydrophobicContact CD1-CD1 4.48Å; F2524-F2546 AromaticContact CD1-CE1 3.94Å; F2524-F2546 HydrophobicContact CD1-CE1 3.94Å; F2524-F2546 HydrophobicContact CD2-CE1 4.14Å; F2524-F2546 AromaticContact CE1-CD1 3.71Å; F2524-F2546 HydrophobicContact CE1-CD1 3.71Å; F2524-F2546 AromaticContact CE1-CE1 3.61Å; F2524-F2546 HydrophobicContact CE1-CE1 3.61Å; F2524-F2546 HydrophobicContact CE2-CD1 4.11Å; F2524-F2546 AromaticContact CE2-CE1 3.83Å; F2524-F2546 HydrophobicContact CE2-CE1 3.83Å; F2524-F2546 HydrophobicContact CG-CE1 4.19Å; F2524-F2546 AromaticContact CZ-CD1 3.5Å; F2524-F2546 HydrophobicContact CZ-CD1 3.5Å; F2524-F2546 AromaticContact CZ-CE1 3.56Å; F2524-F2546 HydrophobicContact CZ-CE1 3.56Å; F2524-I2549 HydrophobicContact CE2-CG2 4.03Å; F2524-I2549 HydrophobicContact CZ-CG2 4.24Å; F2524-M2550 HydrophobicContact CZ-CG 4.44Å; F2524-M2550 HydrophobicContact CZ-SD 4.48Å |
| 2525 | E | 94.6 | Very high | 88.6 | Confident | 9 Ų | 9 | 17.8 Ų | 17.8 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -52.3 | 173.3 | -68.5 | 150.5 | -130.9 | 0 | 0 | 111.1 | G2260 L2264 F2297 S2521 L2527 A2528 G2529 | G2260-E2525 WeakPolarHBondContact CA-O 3.37Å; L2264-E2525 HydrophobicContact CD1-CG 4.04Å; F2297-E2525 HydrophobicContact CD2-CG 4.2Å; F2297-E2525 WeakPolarHBondContact CD2-OE1 3.23Å; F2297-E2525 HydrophobicContact CE2-CG 4.41Å; S2521-E2525 WeakPolarHBondContact CB-OE1 3.45Å; S2521-E2525 PolarHBondContact O-N 3.46Å; S2521-E2525 PolarHBondContact OG-OE1 3.39Å; E2525-L2527 VanDerWaalsContact C-N 3.27Å; E2525-L2527 PolarHBondContact O-N 3.12Å; E2525-A2528 WeakPolarHBondContact O-CA 3.36Å; E2525-A2528 WeakPolarHBondContact O-CB 3.38Å; E2525-A2528 PolarHBondContact O-N 3.29Å; E2525-G2529 PolarHBondContact O-N 3.41Å |
| 2526 | S | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.8 | -23.8 | 179.7 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | A2220 D2522 I2523 G2529 A2530 | A2220-S2526 PolarHBondContact O-OG 3.29Å; D2522-S2526 VanDerWaalsContact O-CB 3.23Å; D2522-S2526 WeakPolarHBondContact O-CB 3.48Å; D2522-S2526 PolarHBondContact O-N 3.22Å; D2522-S2526 PolarHBondContact O-OG 2.9Å; I2523-S2526 VanDerWaalsContact CA-OG 3.3Å; I2523-S2526 WeakPolarHBondContact CA-OG 3.47Å; S2526-G2529 PolarHBondContact O-N 2.8Å; S2526-A2530 WeakPolarHBondContact O-CB 3.41Å; S2526-A2530 PolarHBondContact O-N 3.34Å |
| 2527 | L | 94 | Very high | 90.3 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 167.4 | 176.5 | 59.8 | 0 | 0 | 0 | 111.5 | L2207 F2211 L2217 F2221 L2306 I2523 E2525 G2529 A2530 I2531 F2546 | L2207-L2527 HydrophobicContact CD1-CD1 4.28Å; L2207-L2527 HydrophobicContact CD1-CD2 3.97Å; L2207-L2527 HydrophobicContact CD2-CD2 4.41Å; F2211-L2527 HydrophobicContact CZ-CD1 4.03Å; L2217-L2527 HydrophobicContact CD1-CD1 4.06Å; F2221-L2527 HydrophobicContact CE2-CD1 4.38Å; L2306-L2527 HydrophobicContact CD1-CD2 4.19Å; L2306-L2527 HydrophobicContact CD2-CD2 4.42Å; I2523-L2527 WeakPolarHBondContact O-CB 3.22Å; I2523-L2527 PolarHBondContact O-N 3.16Å; I2523-L2527 VanDerWaalsContact O-N 3.09Å; E2525-L2527 VanDerWaalsContact C-N 3.27Å; E2525-L2527 PolarHBondContact O-N 3.12Å; L2527-G2529 VanDerWaalsContact C-N 3.34Å; L2527-A2530 PolarHBondContact O-N 2.84Å; L2527-I2531 HydrophobicContact CD1-CD1 3.89Å; L2527-I2531 HydrophobicContact CD1-CG1 4.28Å; L2527-I2531 HydrophobicContact CG-CD1 4.03Å; L2527-I2531 WeakPolarHBondContact O-CG1 3.25Å; L2527-I2531 PolarHBondContact O-N 3.38Å; L2527-F2546 HydrophobicContact CB-CZ 4.42Å; L2527-F2546 HydrophobicContact CD2-CZ 4.39Å; L2527-F2546 HydrophobicContact CG-CZ 4.16Å |
| 2528 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2264 F2524 E2525 A2530 I2531 F2532 V2542 F2546 | L2264-A2528 HydrophobicContact CD1-CB 4.08Å; L2264-A2528 HydrophobicContact CD2-CB 3.88Å; L2264-A2528 HydrophobicContact CG-CB 3.85Å; F2524-A2528 PolarHBondContact O-N 2.71Å; E2525-A2528 WeakPolarHBondContact O-CA 3.36Å; E2525-A2528 WeakPolarHBondContact O-CB 3.38Å; E2525-A2528 PolarHBondContact O-N 3.29Å; A2528-A2530 PolarHBondContact O-N 2.98Å; A2528-I2531 PolarHBondContact O-N 2.91Å; A2528-F2532 VanDerWaalsContact O-CB 3.3Å; A2528-F2532 WeakPolarHBondContact O-CB 3.27Å; A2528-F2532 PolarHBondContact O-N 3.1Å; A2528-V2542 HydrophobicContact CB-CG1 4.09Å; A2528-F2546 HydrophobicContact CB-CD2 4.48Å; A2528-F2546 HydrophobicContact CB-CE1 4.2Å; A2528-F2546 HydrophobicContact CB-CE2 3.77Å; A2528-F2546 HydrophobicContact CB-CZ 3.62Å |
| 2529 | G | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2525 S2526 L2527 L2533 | E2525-G2529 PolarHBondContact O-N 3.41Å; S2526-G2529 PolarHBondContact O-N 2.8Å; L2527-G2529 VanDerWaalsContact C-N 3.34Å; G2529-L2533 WeakPolarHBondContact O-CG 3.46Å; G2529-L2533 PolarHBondContact O-N 3.35Å |
| 2530 | A | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2211 L2216 A2220 L2256 S2526 L2527 A2528 F2532 L2533 D2534 | F2211-A2530 HydrophobicContact CE1-CB 4.07Å; L2216-A2530 HydrophobicContact CB-CB 4.17Å; A2220-A2530 HydrophobicContact CB-CB 4.21Å; L2256-A2530 HydrophobicContact CD1-CB 4.28Å; S2526-A2530 WeakPolarHBondContact O-CB 3.41Å; S2526-A2530 PolarHBondContact O-N 3.34Å; L2527-A2530 PolarHBondContact O-N 2.84Å; A2528-A2530 PolarHBondContact O-N 2.98Å; A2530-F2532 VanDerWaalsContact C-N 3.34Å; A2530-F2532 PolarHBondContact O-N 3.43Å; A2530-L2533 PolarHBondContact O-N 3.44Å; A2530-D2534 PolarHBondContact O-N 3.24Å |
| 2531 | I | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.7 | -70.9 | 166.9 | 0 | 0 | 0 | 110.7 | Y2209 F2211 L2527 A2528 L2533 D2534 S2535 V2542 I2545 F2546 | Y2209-I2531 HydrophobicContact CD1-CG1 4.15Å; Y2209-I2531 HydrophobicContact CE1-CG1 4.01Å; Y2209-I2531 HydrophobicContact CE1-CG2 4.38Å; F2211-I2531 HydrophobicContact CE1-CG1 4.01Å; F2211-I2531 HydrophobicContact CE2-CG1 4.44Å; F2211-I2531 HydrophobicContact CZ-CD1 4.34Å; F2211-I2531 HydrophobicContact CZ-CG1 3.57Å; L2527-I2531 HydrophobicContact CD1-CD1 3.89Å; L2527-I2531 HydrophobicContact CD1-CG1 4.28Å; L2527-I2531 HydrophobicContact CG-CD1 4.03Å; L2527-I2531 WeakPolarHBondContact O-CG1 3.25Å; L2527-I2531 PolarHBondContact O-N 3.38Å; A2528-I2531 PolarHBondContact O-N 2.91Å; I2531-L2533 VanDerWaalsContact C-N 3.28Å; I2531-L2533 PolarHBondContact O-N 2.92Å; I2531-D2534 PolarHBondContact O-N 3.02Å; I2531-S2535 WeakPolarHBondContact O-CB 3.3Å; I2531-S2535 PolarHBondContact O-N 2.9Å; I2531-S2535 PolarHBondContact O-OG 3.2Å; I2531-S2535 VanDerWaalsContact O-OG 3.11Å; I2531-V2542 HydrophobicContact CG2-CG2 4.01Å; I2531-I2545 HydrophobicContact CD1-CD1 4.17Å; I2531-I2545 HydrophobicContact CD1-CG2 4.2Å; I2531-I2545 HydrophobicContact CG2-CD1 3.78Å; I2531-F2546 HydrophobicContact CD1-CE2 3.98Å |
| 2532 | F | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.7 | -34.7 | 175.8 | -178.7 | -120.5 | 0 | 0 | 0 | 112.9 | F1980 V1984 L2259 V2263 A2528 A2530 S2535 F2537 L2539 V2542 | F1980-F2532 AromaticContact CE2-CE1 3.89Å; F1980-F2532 HydrophobicContact CE2-CE1 3.89Å; F1980-F2532 HydrophobicContact CE2-CE2 4.26Å; F1980-F2532 AromaticContact CE2-CZ 3.57Å; F1980-F2532 HydrophobicContact CE2-CZ 3.57Å; F1980-F2532 HydrophobicContact CZ-CE1 4.35Å; F1980-F2532 HydrophobicContact CZ-CE2 4.19Å; F1980-F2532 AromaticContact CZ-CZ 3.6Å; F1980-F2532 HydrophobicContact CZ-CZ 3.6Å; V1984-F2532 HydrophobicContact CG2-CE1 3.95Å; V1984-F2532 HydrophobicContact CG2-CZ 4.45Å; L2259-F2532 HydrophobicContact CD1-CD1 4.22Å; L2259-F2532 HydrophobicContact CD1-CE1 4.25Å; L2259-F2532 HydrophobicContact CD2-CD1 4.29Å; L2259-F2532 HydrophobicContact CG-CD1 4.31Å; V2263-F2532 HydrophobicContact CG2-CB 4.43Å; V2263-F2532 HydrophobicContact CG2-CD1 3.76Å; V2263-F2532 HydrophobicContact CG2-CD2 4.4Å; V2263-F2532 HydrophobicContact CG2-CE1 4.07Å; V2263-F2532 HydrophobicContact CG2-CG 3.95Å; A2528-F2532 VanDerWaalsContact O-CB 3.3Å; A2528-F2532 WeakPolarHBondContact O-CB 3.27Å; A2528-F2532 PolarHBondContact O-N 3.1Å; A2530-F2532 VanDerWaalsContact C-N 3.34Å; A2530-F2532 PolarHBondContact O-N 3.43Å; F2532-S2535 PolarHBondContact O-OG 3.21Å; F2532-F2537 HydrophobicContact CD1-CD1 4.26Å; F2532-F2537 AromaticContact CE1-CD1 3.63Å; F2532-F2537 HydrophobicContact CE1-CD1 3.63Å; F2532-F2537 HydrophobicContact CE1-CE1 4.42Å; F2532-F2537 VanDerWaalsContact CE2-CA 3.47Å; F2532-F2537 HydrophobicContact CE2-CB 3.96Å; F2532-F2537 WeakPolarHBondContact CE2-O 3.36Å; F2532-F2537 HydrophobicContact CZ-CB 3.85Å; F2532-F2537 AromaticContact CZ-CD1 3.77Å; F2532-F2537 HydrophobicContact CZ-CD1 3.77Å; F2532-F2537 HydrophobicContact CZ-CG 4.31Å; F2532-F2537 WeakPolarHBondContact O-CA 3.28Å; F2532-F2537 PolarHBondContact O-N 3.31Å; F2532-L2539 HydrophobicContact CD2-CD2 3.81Å; F2532-L2539 HydrophobicContact CD2-CG 4.48Å; F2532-L2539 HydrophobicContact CE2-CD2 3.46Å; F2532-L2539 VanDerWaalsContact CE2-CD2 3.46Å; F2532-L2539 HydrophobicContact CE2-CG 3.88Å; F2532-L2539 HydrophobicContact CZ-CD2 4.2Å; F2532-V2542 HydrophobicContact CB-CG2 3.83Å; F2532-V2542 HydrophobicContact CD2-CG2 4.3Å |
| 2533 | L | 90 | Very high | 91.6 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -76.8 | -46.2 | 174.9 | -68.5 | 172.9 | 0 | 0 | 0 | 112.1 | Y1987 L2176 L2216 L2256 L2259 G2529 A2530 I2531 S2535 N2536 F2537 | Y1987-L2533 HydrophobicContact CE1-CD1 4.19Å; L2176-L2533 HydrophobicContact CD2-CB 4.43Å; L2216-L2533 HydrophobicContact CD1-CB 3.98Å; L2216-L2533 HydrophobicContact CD2-CD1 4.12Å; L2256-L2533 HydrophobicContact CD2-CD1 3.54Å; L2259-L2533 HydrophobicContact CD2-CD1 3.87Å; L2259-L2533 HydrophobicContact CD2-CD2 4.09Å; L2259-L2533 HydrophobicContact CD2-CG 3.86Å; G2529-L2533 WeakPolarHBondContact O-CG 3.46Å; G2529-L2533 PolarHBondContact O-N 3.35Å; A2530-L2533 PolarHBondContact O-N 3.44Å; I2531-L2533 VanDerWaalsContact C-N 3.28Å; I2531-L2533 PolarHBondContact O-N 2.92Å; L2533-S2535 VanDerWaalsContact C-N 3.31Å; L2533-S2535 PolarHBondContact O-N 3.08Å; L2533-N2536 PolarHBondContact O-N 3.08Å; L2533-F2537 HydrophobicContact CD2-CD1 4.36Å; L2533-F2537 HydrophobicContact CD2-CE1 3.65Å; L2533-F2537 HydrophobicContact CD2-CZ 4.14Å |
| 2534 | D | 89.7 | Confident | 91.6 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.059 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -34.1 | 180 | -162.4 | 103.4 | 0 | 0 | 0 | 112.1 | Y2209 F2211 K2212 D2213 L2216 A2530 I2531 N2536 | Y2209-D2534 PolarHBondContact OH-OD2 3.03Å; F2211-D2534 HydrophobicContact CD1-CB 3.91Å; F2211-D2534 HydrophobicContact CE1-CB 4.35Å; K2212-D2534 WeakPolarHBondContact CA-OD1 3.5Å; K2212-D2534 WeakPolarHBondContact CB-OD2 3.42Å; K2212-D2534 WeakPolarHBondContact CD-OD2 3.42Å; K2212-D2534 VanDerWaalsContact CG-OD2 3.3Å; K2212-D2534 WeakPolarHBondContact CG-OD2 3.05Å; K2212-D2534 VanDerWaalsContact N-CG 3.33Å; K2212-D2534 PolarHBondContact N-OD1 3.08Å; K2212-D2534 PolarHBondContact N-OD2 3.37Å; K2212-D2534 VanDerWaalsContact N-OD2 3.12Å; K2212-D2534 PolarHBondContact NZ-O 2.83Å; K2212-D2534 IonicContact NZ-OD2 3.23Å; D2213-D2534 PolarHBondContact N-OD1 3.11Å; L2216-D2534 HydrophobicContact CD1-CB 4.08Å; A2530-D2534 PolarHBondContact O-N 3.24Å; I2531-D2534 PolarHBondContact O-N 3.02Å; D2534-N2536 PolarHBondContact O-N 3.29Å; D2534-N2536 VanDerWaalsContact O-N 3.13Å |
| 2535 | S | 89.2 | Confident | 91.5 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -1.8 | 172.6 | 79 | 0 | 0 | 0 | 0 | 114.3 | I2531 F2532 L2533 S2538 | I2531-S2535 WeakPolarHBondContact O-CB 3.3Å; I2531-S2535 PolarHBondContact O-N 2.9Å; I2531-S2535 PolarHBondContact O-OG 3.2Å; I2531-S2535 VanDerWaalsContact O-OG 3.11Å; F2532-S2535 PolarHBondContact O-OG 3.21Å; L2533-S2535 VanDerWaalsContact C-N 3.31Å; L2533-S2535 PolarHBondContact O-N 3.08Å; S2535-S2538 WeakPolarHBondContact OG-CB 3.05Å; S2535-S2538 PolarHBondContact OG-N 2.87Å; S2535-S2538 PolarHBondContact OG-O 3.34Å; S2535-S2538 VanDerWaalsContact OG-O 3.09Å |
| 2536 | N | 87 | Confident | 91.4 | Very high | 75 Ų | 75 | 21.6 Ų | 21.6 | 40% | 0.401 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 55.6 | -172.9 | -168.6 | 99 | 0 | 0 | 0 | 111.8 | L2176 L2533 D2534 S2538 | L2176-N2536 HydrophobicContact CD1-CB 4.35Å; L2533-N2536 PolarHBondContact O-N 3.08Å; D2534-N2536 PolarHBondContact O-N 3.29Å; D2534-N2536 VanDerWaalsContact O-N 3.13Å; N2536-S2538 VanDerWaalsContact C-N 3.34Å; N2536-S2538 PolarHBondContact O-N 3.1Å |
| 2537 | F | 88.1 | Confident | 91.3 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 62.8 | 30.4 | 178.9 | -49.7 | -78.2 | 0 | 0 | 0 | 114.7 | V1984 L1988 A2172 W2174 L2176 F2532 L2533 | V1984-F2537 HydrophobicContact CG1-CE1 4.22Å; L1988-F2537 HydrophobicContact CD1-CE1 4.4Å; L1988-F2537 HydrophobicContact CD1-CZ 4.2Å; L1988-F2537 HydrophobicContact CD2-CZ 4.22Å; A2172-F2537 HydrophobicContact CB-CB 3.9Å; A2172-F2537 HydrophobicContact CB-CD2 4.12Å; A2172-F2537 HydrophobicContact CB-CG 4.43Å; W2174-F2537 HydrophobicContact CB-CD2 4.32Å; W2174-F2537 HydrophobicContact CB-CE1 4.42Å; W2174-F2537 HydrophobicContact CB-CE2 3.92Å; W2174-F2537 HydrophobicContact CB-CZ 3.98Å; W2174-F2537 HydrophobicContact CE3-CD1 4.22Å; W2174-F2537 HydrophobicContact CE3-CG 4.38Å; W2174-F2537 WeakPolarHBondContact O-CD2 3.32Å; W2174-F2537 WeakPolarHBondContact O-CE2 3.46Å; L2176-F2537 HydrophobicContact CD1-CD2 3.98Å; L2176-F2537 HydrophobicContact CD1-CE2 3.48Å; L2176-F2537 VanDerWaalsContact CD1-CE2 3.48Å; L2176-F2537 HydrophobicContact CD1-CZ 4.04Å; L2176-F2537 HydrophobicContact CG-CE2 3.91Å; L2176-F2537 HydrophobicContact CG-CZ 4.01Å; F2532-F2537 HydrophobicContact CD1-CD1 4.26Å; F2532-F2537 AromaticContact CE1-CD1 3.63Å; F2532-F2537 HydrophobicContact CE1-CD1 3.63Å; F2532-F2537 HydrophobicContact CE1-CE1 4.42Å; F2532-F2537 VanDerWaalsContact CE2-CA 3.47Å; F2532-F2537 HydrophobicContact CE2-CB 3.96Å; F2532-F2537 WeakPolarHBondContact CE2-O 3.36Å; F2532-F2537 HydrophobicContact CZ-CB 3.85Å; F2532-F2537 AromaticContact CZ-CD1 3.77Å; F2532-F2537 HydrophobicContact CZ-CD1 3.77Å; F2532-F2537 HydrophobicContact CZ-CG 4.31Å; F2532-F2537 WeakPolarHBondContact O-CA 3.28Å; F2532-F2537 PolarHBondContact O-N 3.31Å; L2533-F2537 HydrophobicContact CD2-CD1 4.36Å; L2533-F2537 HydrophobicContact CD2-CE1 3.65Å; L2533-F2537 HydrophobicContact CD2-CZ 4.14Å |
| 2538 | S | 89.5 | Confident | 91.1 | Very high | 34 Ų | 34 | 29 Ų | 29 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | trans | -87.4 | 110.6 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | S2535 N2536 T2541 | S2535-S2538 WeakPolarHBondContact OG-CB 3.05Å; S2535-S2538 PolarHBondContact OG-N 2.87Å; S2535-S2538 PolarHBondContact OG-O 3.34Å; S2535-S2538 VanDerWaalsContact OG-O 3.09Å; N2536-S2538 VanDerWaalsContact C-N 3.34Å; N2536-S2538 PolarHBondContact O-N 3.1Å; S2538-T2541 WeakPolarHBondContact CB-OG1 3.38Å; S2538-T2541 WeakPolarHBondContact OG-CB 3.14Å; S2538-T2541 PolarHBondContact OG-N 3.26Å; S2538-T2541 PolarHBondContact OG-OG1 3Å | ||
| 2539 | L | 90.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 173.3 | -67.8 | 177.1 | 0 | 0 | 0 | 112.1 | F1980 V2263 Y2266 V2267 F2532 T2541 V2542 W2543 | F1980-L2539 HydrophobicContact CE1-CD1 4.05Å; F1980-L2539 HydrophobicContact CE2-CD2 3.96Å; F1980-L2539 HydrophobicContact CZ-CD1 3.97Å; F1980-L2539 HydrophobicContact CZ-CD2 3.89Å; F1980-L2539 HydrophobicContact CZ-CG 4.22Å; V2263-L2539 HydrophobicContact CG1-CD2 4Å; V2263-L2539 HydrophobicContact CG2-CD2 4.36Å; Y2266-L2539 HydrophobicContact CD1-CD1 3.76Å; Y2266-L2539 HydrophobicContact CE1-CD1 3.6Å; V2267-L2539 HydrophobicContact CG2-CB 4.14Å; V2267-L2539 HydrophobicContact CG2-CD1 4.49Å; V2267-L2539 HydrophobicContact CG2-CD2 3.9Å; V2267-L2539 HydrophobicContact CG2-CG 4.41Å; F2532-L2539 HydrophobicContact CD2-CD2 3.81Å; F2532-L2539 HydrophobicContact CD2-CG 4.48Å; F2532-L2539 HydrophobicContact CE2-CD2 3.46Å; F2532-L2539 VanDerWaalsContact CE2-CD2 3.46Å; F2532-L2539 HydrophobicContact CE2-CG 3.88Å; F2532-L2539 HydrophobicContact CZ-CD2 4.2Å; L2539-T2541 VanDerWaalsContact C-N 3.26Å; L2539-T2541 PolarHBondContact O-N 3.08Å; L2539-V2542 WeakPolarHBondContact O-CB 3.35Å; L2539-V2542 PolarHBondContact O-N 3.22Å; L2539-W2543 PolarHBondContact O-N 3.31Å |
| 2540 | D | 89.8 | Confident | 90.8 | Very high | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63 | -35.4 | -179.5 | -55.5 | -45.4 | 0 | 0 | 0 | 111.5 | F1910 R2270 W2543 Q2544 | F1910-D2540 VanDerWaalsContact CD2-OD2 3.3Å; F1910-D2540 WeakPolarHBondContact CD2-OD2 3.49Å; F1910-D2540 WeakPolarHBondContact CE2-OD1 3.28Å; F1910-D2540 WeakPolarHBondContact CE2-OD2 3.37Å; R2270-D2540 IonicContact NH1-OD1 3.55Å; D2540-W2543 PolarHBondContact O-N 3.24Å; D2540-Q2544 WeakPolarHBondContact O-CB 3.2Å; D2540-Q2544 VanDerWaalsContact O-CG 3.27Å; D2540-Q2544 WeakPolarHBondContact O-CG 3.41Å; D2540-Q2544 PolarHBondContact O-N 2.9Å |
| 2541 | T | 91.7 | Very high | 90.6 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 112 | Y2209 S2538 L2539 I2545 | Y2209-T2541 HydrophobicContact CE2-CG2 4.04Å; S2538-T2541 WeakPolarHBondContact CB-OG1 3.38Å; S2538-T2541 WeakPolarHBondContact OG-CB 3.14Å; S2538-T2541 PolarHBondContact OG-N 3.26Å; S2538-T2541 PolarHBondContact OG-OG1 3Å; L2539-T2541 VanDerWaalsContact C-N 3.26Å; L2539-T2541 PolarHBondContact O-N 3.08Å; T2541-I2545 HydrophobicContact CG2-CD1 4.35Å; T2541-I2545 WeakPolarHBondContact O-CD1 3.28Å; T2541-I2545 PolarHBondContact O-N 3.14Å |
| 2542 | V | 93.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | V2263 A2528 I2531 F2532 L2539 Q2544 I2545 F2546 | V2263-V2542 HydrophobicContact CG1-CG1 4.05Å; V2263-V2542 HydrophobicContact CG1-CG2 4.39Å; A2528-V2542 HydrophobicContact CB-CG1 4.09Å; I2531-V2542 HydrophobicContact CG2-CG2 4.01Å; F2532-V2542 HydrophobicContact CB-CG2 3.83Å; F2532-V2542 HydrophobicContact CD2-CG2 4.3Å; L2539-V2542 WeakPolarHBondContact O-CB 3.35Å; L2539-V2542 PolarHBondContact O-N 3.22Å; V2542-Q2544 PolarHBondContact O-N 3.33Å; V2542-I2545 PolarHBondContact O-N 3.01Å; V2542-F2546 HydrophobicContact CG1-CD2 3.84Å; V2542-F2546 HydrophobicContact CG1-CE2 4.24Å; V2542-F2546 WeakPolarHBondContact O-CD2 3.47Å; V2542-F2546 PolarHBondContact O-N 3.17Å |
| 2543 | W | 93.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | -179.6 | -163.7 | -128.2 | 0 | 0 | 0 | 113 | V2267 I2268 F2271 L2539 D2540 I2545 F2546 Y2547 I2554 | V2267-W2543 HydrophobicContact CB-CE3 4.44Å; V2267-W2543 HydrophobicContact CG1-CB 3.76Å; V2267-W2543 HydrophobicContact CG1-CD2 3.49Å; V2267-W2543 VanDerWaalsContact CG1-CD2 3.49Å; V2267-W2543 HydrophobicContact CG1-CE3 3.31Å; V2267-W2543 HydrophobicContact CG1-CG 3.72Å; V2267-W2543 HydrophobicContact CG1-CZ3 4.05Å; I2268-W2543 HydrophobicContact CG1-CH2 4.16Å; I2268-W2543 HydrophobicContact CG1-CZ3 3.85Å; F2271-W2543 HydrophobicContact CB-CH2 4.26Å; F2271-W2543 HydrophobicContact CB-CZ2 3.65Å; F2271-W2543 AromaticContact CD1-CZ2 3.98Å; F2271-W2543 HydrophobicContact CD1-CZ2 3.98Å; F2271-W2543 AromaticContact CD2-CZ2 3.67Å; F2271-W2543 HydrophobicContact CD2-CZ2 3.67Å; F2271-W2543 AromaticContact CD2-NE1 3.8Å; F2271-W2543 HydrophobicContact CE2-CZ2 4.31Å; F2271-W2543 HydrophobicContact CG-CH2 4.31Å; F2271-W2543 AromaticContact CG-CZ2 3.48Å; F2271-W2543 HydrophobicContact CG-CZ2 3.48Å; F2271-W2543 VanDerWaalsContact CG-CZ2 3.48Å; L2539-W2543 PolarHBondContact O-N 3.31Å; D2540-W2543 PolarHBondContact O-N 3.24Å; W2543-I2545 PolarHBondContact O-N 3.42Å; W2543-F2546 PolarHBondContact O-N 3.06Å; W2543-Y2547 AromaticContact CE2-CD2 3.84Å; W2543-Y2547 HydrophobicContact CH2-CD2 4.15Å; W2543-Y2547 AromaticContact CZ2-CD2 3.5Å; W2543-Y2547 HydrophobicContact CZ2-CD2 3.5Å; W2543-Y2547 HydrophobicContact CZ2-CE2 4.31Å; W2543-Y2547 HydrophobicContact CZ2-CG 4.26Å; W2543-Y2547 WeakPolarHBondContact O-CB 3.33Å; W2543-Y2547 PolarHBondContact O-N 3.49Å; W2543-I2554 HydrophobicContact CH2-CD1 3.83Å; W2543-I2554 HydrophobicContact CZ2-CD1 4.39Å |
| 2544 | Q | 92.1 | Very high | 89.5 | Confident | 142 Ų | 142 | 39.4 Ų | 39.4 | 66% | 0.664 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.3 | -32.2 | 175.8 | -76.6 | 169.1 | 2 | 0 | 0 | 113.3 | D2540 V2542 P2548 | D2540-Q2544 WeakPolarHBondContact O-CB 3.2Å; D2540-Q2544 VanDerWaalsContact O-CG 3.27Å; D2540-Q2544 WeakPolarHBondContact O-CG 3.41Å; D2540-Q2544 PolarHBondContact O-N 2.9Å; V2542-Q2544 PolarHBondContact O-N 3.33Å; Q2544-P2548 VanDerWaalsContact O-CD 3.25Å; Q2544-P2548 WeakPolarHBondContact O-CD 3.3Å |
| 2545 | I | 91.8 | Very high | 89.3 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -88.1 | -40.9 | -179.8 | -64.1 | 161.2 | 0 | 0 | 0 | 111.4 | Y2209 I2531 T2541 V2542 W2543 I2549 | Y2209-I2545 HydrophobicContact CD1-CD1 4.33Å; Y2209-I2545 HydrophobicContact CD2-CD1 3.49Å; Y2209-I2545 VanDerWaalsContact CD2-CD1 3.49Å; Y2209-I2545 HydrophobicContact CE2-CD1 4.06Å; Y2209-I2545 HydrophobicContact CG-CD1 3.61Å; I2531-I2545 HydrophobicContact CD1-CD1 4.17Å; I2531-I2545 HydrophobicContact CD1-CG2 4.2Å; I2531-I2545 HydrophobicContact CG2-CD1 3.78Å; T2541-I2545 HydrophobicContact CG2-CD1 4.35Å; T2541-I2545 WeakPolarHBondContact O-CD1 3.28Å; T2541-I2545 PolarHBondContact O-N 3.14Å; V2542-I2545 PolarHBondContact O-N 3.01Å; W2543-I2545 PolarHBondContact O-N 3.42Å; I2545-I2549 WeakPolarHBondContact O-CD1 3.48Å |
| 2546 | F | 92.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -85.5 | -25.8 | -176.1 | -80.8 | -99.8 | 0 | 0 | 0 | 114.3 | L2264 F2524 L2527 A2528 I2531 V2542 W2543 I2549 M2550 | L2264-F2546 HydrophobicContact CD2-CD1 4.03Å; L2264-F2546 HydrophobicContact CD2-CE1 4.4Å; L2264-F2546 HydrophobicContact CD2-CG 4.27Å; F2524-F2546 HydrophobicContact CD1-CD1 4.48Å; F2524-F2546 AromaticContact CD1-CE1 3.94Å; F2524-F2546 HydrophobicContact CD1-CE1 3.94Å; F2524-F2546 HydrophobicContact CD2-CE1 4.14Å; F2524-F2546 AromaticContact CE1-CD1 3.71Å; F2524-F2546 HydrophobicContact CE1-CD1 3.71Å; F2524-F2546 AromaticContact CE1-CE1 3.61Å; F2524-F2546 HydrophobicContact CE1-CE1 3.61Å; F2524-F2546 HydrophobicContact CE2-CD1 4.11Å; F2524-F2546 AromaticContact CE2-CE1 3.83Å; F2524-F2546 HydrophobicContact CE2-CE1 3.83Å; F2524-F2546 HydrophobicContact CG-CE1 4.19Å; F2524-F2546 AromaticContact CZ-CD1 3.5Å; F2524-F2546 HydrophobicContact CZ-CD1 3.5Å; F2524-F2546 AromaticContact CZ-CE1 3.56Å; F2524-F2546 HydrophobicContact CZ-CE1 3.56Å; L2527-F2546 HydrophobicContact CB-CZ 4.42Å; L2527-F2546 HydrophobicContact CD2-CZ 4.39Å; L2527-F2546 HydrophobicContact CG-CZ 4.16Å; A2528-F2546 HydrophobicContact CB-CD2 4.48Å; A2528-F2546 HydrophobicContact CB-CE1 4.2Å; A2528-F2546 HydrophobicContact CB-CE2 3.77Å; A2528-F2546 HydrophobicContact CB-CZ 3.62Å; I2531-F2546 HydrophobicContact CD1-CE2 3.98Å; V2542-F2546 HydrophobicContact CG1-CD2 3.84Å; V2542-F2546 HydrophobicContact CG1-CE2 4.24Å; V2542-F2546 WeakPolarHBondContact O-CD2 3.47Å; V2542-F2546 PolarHBondContact O-N 3.17Å; W2543-F2546 PolarHBondContact O-N 3.06Å; F2546-I2549 WeakPolarHBondContact O-CB 3.1Å; F2546-I2549 PolarHBondContact O-N 3.44Å; F2546-M2550 WeakPolarHBondContact O-CG 3.39Å; F2546-M2550 PolarHBondContact O-N 3.33Å |
| 2547 | Y | 91.9 | Very high | 88.6 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 179.6 | 176.1 | -106 | 0 | 0 | 0 | 113 | F2271 W2543 I2549 M2550 K2551 I2554 | F2271-Y2547 HydrophobicContact CE2-CE2 4.13Å; F2271-Y2547 AromaticContact CZ-CE2 3.93Å; F2271-Y2547 HydrophobicContact CZ-CE2 3.93Å; W2543-Y2547 AromaticContact CE2-CD2 3.84Å; W2543-Y2547 HydrophobicContact CH2-CD2 4.15Å; W2543-Y2547 AromaticContact CZ2-CD2 3.5Å; W2543-Y2547 HydrophobicContact CZ2-CD2 3.5Å; W2543-Y2547 HydrophobicContact CZ2-CE2 4.31Å; W2543-Y2547 HydrophobicContact CZ2-CG 4.26Å; W2543-Y2547 WeakPolarHBondContact O-CB 3.33Å; W2543-Y2547 PolarHBondContact O-N 3.49Å; Y2547-I2549 PolarHBondContact O-N 3.15Å; Y2547-M2550 PolarHBondContact O-N 3.32Å; Y2547-M2550 VanDerWaalsContact O-N 3.07Å; Y2547-K2551 HydrophobicContact CE1-CD 4.44Å; Y2547-K2551 WeakPolarHBondContact O-CB 3.44Å; Y2547-K2551 PolarHBondContact O-N 3.46Å; Y2547-I2554 HydrophobicContact CD2-CD1 4.18Å; Y2547-I2554 HydrophobicContact CE2-CD1 4.4Å |
| 2548 | P | 90 | Very high | 88.3 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.2 | -33.8 | 176.2 | -24.7 | 35.1 | 0 | 0 | 0 | 113.3 | Q2544 | Q2544-P2548 VanDerWaalsContact O-CD 3.25Å; Q2544-P2548 WeakPolarHBondContact O-CD 3.3Å |
| 2549 | I | 89.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.1 | -36.5 | 178 | -66.5 | 171.1 | 0 | 0 | 0 | 111.5 | L2207 L2300 I2304 F2524 I2545 F2546 Y2547 | L2207-I2549 HydrophobicContact CD2-CD1 4.17Å; L2300-I2549 HydrophobicContact CD1-CG2 4.47Å; L2300-I2549 HydrophobicContact CD2-CG2 4.43Å; I2304-I2549 HydrophobicContact CD1-CD1 4.14Å; I2304-I2549 HydrophobicContact CD1-CG2 3.6Å; I2304-I2549 HydrophobicContact CG1-CG2 4.1Å; F2524-I2549 HydrophobicContact CE2-CG2 4.03Å; F2524-I2549 HydrophobicContact CZ-CG2 4.24Å; I2545-I2549 WeakPolarHBondContact O-CD1 3.48Å; F2546-I2549 WeakPolarHBondContact O-CB 3.1Å; F2546-I2549 PolarHBondContact O-N 3.44Å; Y2547-I2549 PolarHBondContact O-N 3.15Å |
| 2550 | M | 89 | Confident | 87.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -95.2 | -17.6 | -176.6 | -66 | -170.1 | 66.6 | 0 | 0 | 114.3 | I2268 F2297 L2300 F2524 F2546 Y2547 E2552 R2553 I2554 | I2268-M2550 HydrophobicContact CD1-CE 3.7Å; I2268-M2550 HydrophobicContact CD1-SD 4.01Å; I2268-M2550 HydrophobicContact CG1-CE 4.46Å; F2297-M2550 HydrophobicContact CE1-CE 4.02Å; F2297-M2550 HydrophobicContact CE1-SD 4.43Å; L2300-M2550 HydrophobicContact CD1-CG 3.92Å; F2524-M2550 HydrophobicContact CZ-CG 4.44Å; F2524-M2550 HydrophobicContact CZ-SD 4.48Å; F2546-M2550 WeakPolarHBondContact O-CG 3.39Å; F2546-M2550 PolarHBondContact O-N 3.33Å; Y2547-M2550 PolarHBondContact O-N 3.32Å; Y2547-M2550 VanDerWaalsContact O-N 3.07Å; M2550-E2552 PolarHBondContact O-N 3.01Å; M2550-R2553 PolarHBondContact O-N 3.44Å; M2550-I2554 HydrophobicContact CB-CD1 3.62Å; M2550-I2554 HydrophobicContact CB-CG1 4.11Å; M2550-I2554 PolarHBondContact O-N 3.11Å |
| 2551 | K | 87.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -43.2 | -54.8 | -173.1 | -178.4 | 178.7 | 176.7 | -173.7 | 0 | 113.1 | Y2547 R2553 I2554 E2555 | Y2547-K2551 HydrophobicContact CE1-CD 4.44Å; Y2547-K2551 WeakPolarHBondContact O-CB 3.44Å; Y2547-K2551 PolarHBondContact O-N 3.46Å; K2551-R2553 VanDerWaalsContact C-N 3.25Å; K2551-R2553 PolarHBondContact O-N 3.23Å; K2551-R2553 VanDerWaalsContact O-N 3.14Å; K2551-I2554 PolarHBondContact O-N 2.74Å; K2551-I2554 VanDerWaalsContact O-N 3.11Å; K2551-E2555 VanDerWaalsContact CE-CD 3.44Å; K2551-E2555 WeakPolarHBondContact CE-OE1 3.3Å; K2551-E2555 WeakPolarHBondContact CE-OE2 3.08Å; K2551-E2555 VanDerWaalsContact CG-CD 3.49Å; K2551-E2555 HydrophobicContact CG-CG 4.24Å; K2551-E2555 WeakPolarHBondContact CG-OE2 3.39Å; K2551-E2555 IonicContact NZ-OE1 3.02Å; K2551-E2555 WeakPolarHBondContact O-CB 3.38Å; K2551-E2555 WeakPolarHBondContact O-CG 3.48Å; K2551-E2555 PolarHBondContact O-N 3.37Å |
| 2552 | E | 84.3 | Confident | 85.4 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 29% | 0.29 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.3 | -36 | -179.4 | -175.6 | -172.8 | 129.3 | 0 | 0 | 113.8 | R2303 M2550 R2556 | R2303-E2552 IonicContact CZ-OE1 3.06Å; R2303-E2552 IonicContact CZ-OE2 3.52Å; R2303-E2552 IonicContact NH1-OE1 2.67Å; R2303-E2552 PolarHBondContact NH1-OE1 3Å; R2303-E2552 IonicContact NH1-OE2 2.89Å; R2303-E2552 PolarHBondContact NH1-OE2 3.16Å; R2303-E2552 IonicContact NH2-OE1 3.27Å; R2303-E2552 IonicContact NH2-OE2 3.64Å; R2303-E2552 PolarHBondContact NH2-OE2 3.41Å; M2550-E2552 PolarHBondContact O-N 3.01Å; E2552-R2556 VanDerWaalsContact CD-NH2 3.29Å; E2552-R2556 WeakPolarHBondContact O-CG 3.24Å; E2552-R2556 PolarHBondContact O-N 3.33Å; E2552-R2556 IonicContact OE1-CZ 2.77Å; E2552-R2556 IonicContact OE1-NH1 3.28Å; E2552-R2556 IonicContact OE1-NH2 3.8Å; E2552-R2556 PolarHBondContact OE1-NH2 3.31Å |
| 2553 | R | 83.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.7 | -36 | 178.1 | -72.1 | -173.7 | 176.3 | -114.6 | -0.6 | 112.5 | L2291 M2550 K2551 Y2557 | L2291-R2553 HydrophobicContact CD2-CB 4.47Å; M2550-R2553 PolarHBondContact O-N 3.44Å; K2551-R2553 VanDerWaalsContact C-N 3.25Å; K2551-R2553 PolarHBondContact O-N 3.23Å; K2551-R2553 VanDerWaalsContact O-N 3.14Å; R2553-Y2557 PolarHBondContact NH1-OH 3.21Å; R2553-Y2557 PolarHBondContact O-N 3.23Å |
| 2554 | I | 85.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 174.2 | -67.4 | 170.2 | 0 | 0 | 0 | 109.4 | F2271 L2291 W2543 Y2547 M2550 K2551 Y2557 T2558 | F2271-I2554 HydrophobicContact CD1-CG2 4.45Å; F2271-I2554 HydrophobicContact CE1-CG2 3.72Å; L2291-I2554 HydrophobicContact CD1-CG1 4.18Å; L2291-I2554 HydrophobicContact CD2-CG1 3.94Å; W2543-I2554 HydrophobicContact CH2-CD1 3.83Å; W2543-I2554 HydrophobicContact CZ2-CD1 4.39Å; Y2547-I2554 HydrophobicContact CD2-CD1 4.18Å; Y2547-I2554 HydrophobicContact CE2-CD1 4.4Å; M2550-I2554 HydrophobicContact CB-CD1 3.62Å; M2550-I2554 HydrophobicContact CB-CG1 4.11Å; M2550-I2554 PolarHBondContact O-N 3.11Å; K2551-I2554 PolarHBondContact O-N 2.74Å; K2551-I2554 VanDerWaalsContact O-N 3.11Å; I2554-Y2557 PolarHBondContact O-N 2.64Å; I2554-T2558 VanDerWaalsContact O-CB 3.23Å; I2554-T2558 WeakPolarHBondContact O-CB 3.45Å; I2554-T2558 PolarHBondContact O-N 3.4Å; I2554-T2558 PolarHBondContact O-OG1 2.98Å |
| 2555 | E | 85.1 | Confident | 83 | Confident | 97 Ų | 97 | 50.9 Ų | 50.9 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | -179.9 | -70.6 | 173.6 | 155.8 | 0 | 0 | 111.7 | K2551 T2558 A2559 | K2551-E2555 VanDerWaalsContact CE-CD 3.44Å; K2551-E2555 WeakPolarHBondContact CE-OE1 3.3Å; K2551-E2555 WeakPolarHBondContact CE-OE2 3.08Å; K2551-E2555 VanDerWaalsContact CG-CD 3.49Å; K2551-E2555 HydrophobicContact CG-CG 4.24Å; K2551-E2555 WeakPolarHBondContact CG-OE2 3.39Å; K2551-E2555 IonicContact NZ-OE1 3.02Å; K2551-E2555 WeakPolarHBondContact O-CB 3.38Å; K2551-E2555 WeakPolarHBondContact O-CG 3.48Å; K2551-E2555 PolarHBondContact O-N 3.37Å; E2555-T2558 PolarHBondContact O-N 3.42Å; E2555-A2559 WeakPolarHBondContact O-CB 3.35Å; E2555-A2559 PolarHBondContact O-N 2.9Å |
| 2556 | R | 81.8 | Confident | 82.5 | Confident | 102 Ų | 102 | 51 Ų | 51 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 175.1 | -77 | -174.1 | -158.1 | 159.1 | 19.6 | 112.9 | E2552 T2558 A2559 C2560 | E2552-R2556 VanDerWaalsContact CD-NH2 3.29Å; E2552-R2556 WeakPolarHBondContact O-CG 3.24Å; E2552-R2556 PolarHBondContact O-N 3.33Å; E2552-R2556 IonicContact OE1-CZ 2.77Å; E2552-R2556 IonicContact OE1-NH1 3.28Å; E2552-R2556 IonicContact OE1-NH2 3.8Å; E2552-R2556 PolarHBondContact OE1-NH2 3.31Å; R2556-T2558 VanDerWaalsContact C-N 3.31Å; R2556-T2558 PolarHBondContact O-N 3.1Å; R2556-A2559 PolarHBondContact O-N 3.46Å; R2556-C2560 PolarHBondContact O-N 3.03Å |
| 2557 | Y | 80.5 | Confident | 81.9 | Confident | 17 Ų | 17 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.3 | -23.2 | -178 | -61.2 | -20.9 | 0 | 0 | 0 | 113.2 | L2287 A2290 L2291 I2296 T2340 R2553 I2554 A2559 C2560 I2561 P2562 | L2287-Y2557 VanDerWaalsContact CD2-O 3.32Å; L2287-Y2557 WeakPolarHBondContact CD2-O 3.48Å; A2290-Y2557 HydrophobicContact CB-CD2 4.18Å; A2290-Y2557 HydrophobicContact CB-CE2 4.4Å; L2291-Y2557 HydrophobicContact CD2-CD2 3.64Å; L2291-Y2557 HydrophobicContact CD2-CE2 4.17Å; L2291-Y2557 HydrophobicContact CG-CD2 4.06Å; I2296-Y2557 HydrophobicContact CD1-CE2 3.61Å; T2340-Y2557 VanDerWaalsContact CG2-OH 3.28Å; T2340-Y2557 WeakPolarHBondContact CG2-OH 3.3Å; T2340-Y2557 PolarHBondContact OG1-OH 2.74Å; R2553-Y2557 PolarHBondContact NH1-OH 3.21Å; R2553-Y2557 PolarHBondContact O-N 3.23Å; I2554-Y2557 PolarHBondContact O-N 2.64Å; Y2557-A2559 VanDerWaalsContact C-N 3.31Å; Y2557-C2560 WeakPolarHBondContact CA-O 3.37Å; Y2557-C2560 CarbonylContact O-C 3.59Å; Y2557-I2561 WeakPolarHBondContact O-CA 3.36Å; Y2557-I2561 PolarHBondContact O-N 2.95Å; Y2557-P2562 HydrophobicContact CD1-CG 4.12Å; Y2557-P2562 HydrophobicContact CD2-CG 4.4Å; Y2557-P2562 HydrophobicContact CG-CG 4.07Å |
| 2558 | T | 80.6 | Confident | 81.4 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -82.9 | -9.3 | 173.6 | -45.8 | 0 | 0 | 0 | 0 | 112.3 | K2277 I2554 E2555 R2556 | K2277-T2558 HydrophobicContact CD-CG2 4.05Å; K2277-T2558 PolarHBondContact NZ-O 3.27Å; I2554-T2558 VanDerWaalsContact O-CB 3.23Å; I2554-T2558 WeakPolarHBondContact O-CB 3.45Å; I2554-T2558 PolarHBondContact O-N 3.4Å; I2554-T2558 PolarHBondContact O-OG1 2.98Å; E2555-T2558 PolarHBondContact O-N 3.42Å; R2556-T2558 VanDerWaalsContact C-N 3.31Å; R2556-T2558 PolarHBondContact O-N 3.1Å |
| 2559 | A | 79.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 48 Ų | 48 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -93.6 | -46.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2555 R2556 Y2557 | E2555-A2559 WeakPolarHBondContact O-CB 3.35Å; E2555-A2559 PolarHBondContact O-N 2.9Å; R2556-A2559 PolarHBondContact O-N 3.46Å; Y2557-A2559 VanDerWaalsContact C-N 3.31Å |
| 2560 | C | 75 | Confident | 80.8 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -124.3 | 103.1 | 177.5 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | I2344 R2556 Y2557 P2562 | I2344-C2560 VanDerWaalsContact CD1-SG 3.5Å; R2556-C2560 PolarHBondContact O-N 3.03Å; Y2557-C2560 WeakPolarHBondContact CA-O 3.37Å; Y2557-C2560 CarbonylContact O-C 3.59Å; C2560-P2562 VanDerWaalsContact O-CD 3.3Å; C2560-P2562 WeakPolarHBondContact O-CD 3.49Å |
| 2561 | I | 75.7 | Confident | 80.3 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | trans | -76.6 | 116.6 | -171.9 | -61.5 | 152.8 | 0 | 0 | 0 | 110.4 | V2283 D2286 L2287 Y2557 K2563 | V2283-I2561 HydrophobicContact CG1-CD1 3.58Å; V2283-I2561 HydrophobicContact CG1-CG1 4.07Å; V2283-I2561 HydrophobicContact CG1-CG2 4.15Å; V2283-I2561 HydrophobicContact CG2-CD1 4.06Å; D2286-I2561 HydrophobicContact CB-CG2 4.49Å; L2287-I2561 HydrophobicContact CD2-CG1 4.3Å; L2287-I2561 HydrophobicContact CD2-CG2 4.3Å; L2287-I2561 HydrophobicContact CG-CG2 4.46Å; Y2557-I2561 WeakPolarHBondContact O-CA 3.36Å; Y2557-I2561 PolarHBondContact O-N 2.95Å; I2561-K2563 PolarHBondContact O-N 3.34Å | ||
| 2562 | P | 71.2 | Confident | 79.9 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | trans | -75.5 | 86.8 | -179.8 | 31.3 | -35.7 | 0 | 0 | 0 | 111.4 | A2290 Y2557 C2560 | A2290-P2562 HydrophobicContact CB-CG 3.54Å; Y2557-P2562 HydrophobicContact CD1-CG 4.12Å; Y2557-P2562 HydrophobicContact CD2-CG 4.4Å; Y2557-P2562 HydrophobicContact CG-CG 4.07Å; C2560-P2562 VanDerWaalsContact O-CD 3.3Å; C2560-P2562 WeakPolarHBondContact O-CD 3.49Å | ||
| 2563 | K | 71.9 | Confident | 79.7 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | trans | -63.1 | 140.3 | 175.7 | -71.6 | -170.3 | 176.3 | -171.1 | 0 | 111.6 | I2561 E2571 | I2561-K2563 PolarHBondContact O-N 3.34Å; K2563-E2571 WeakPolarHBondContact CE-OE2 3.46Å; K2563-E2571 IonicContact NZ-OE2 3.41Å; K2563-E2571 PolarHBondContact NZ-OE2 3.36Å | ||
| 2564 | S | 74 | Confident | 79.1 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | trans | -64.8 | 135 | 170.3 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | V2566 R2567 Q2568 | S2564-V2566 PolarHBondContact O-N 2.89Å; S2564-R2567 WeakPolarHBondContact O-CA 3.41Å; S2564-R2567 VanDerWaalsContact O-CB 3.29Å; S2564-R2567 WeakPolarHBondContact O-CB 3.43Å; S2564-R2567 PolarHBondContact O-N 3.3Å; S2564-Q2568 PolarHBondContact O-N 3.07Å | ||
| 2565 | P | 81.2 | Confident | 78.4 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -26.7 | 177.9 | 26.3 | -36.6 | 0 | 0 | 0 | 112.6 | R2567 L2569 A2617 K2618 L2621 | P2565-R2567 VanDerWaalsContact C-N 3.3Å; P2565-L2569 WeakPolarHBondContact O-CB 3.36Å; P2565-L2569 PolarHBondContact O-N 3.48Å; P2565-A2617 HydrophobicContact CB-CB 4.39Å; P2565-A2617 WeakPolarHBondContact O-CB 3.48Å; P2565-K2618 HydrophobicContact CB-CG 3.6Å; P2565-K2618 HydrophobicContact CG-CD 4.32Å; P2565-K2618 HydrophobicContact CG-CG 3.8Å; P2565-L2621 HydrophobicContact CB-CD1 3.71Å; P2565-L2621 VanDerWaalsContact O-CD1 3.31Å; P2565-L2621 WeakPolarHBondContact O-CD1 3.4Å |
| 2566 | V | 82.8 | Confident | 77.9 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 173 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S2564 L2570 F2579 K2613 A2617 | S2564-V2566 PolarHBondContact O-N 2.89Å; V2566-L2570 HydrophobicContact CG1-CD1 4.37Å; V2566-L2570 WeakPolarHBondContact O-CD1 3.44Å; V2566-L2570 WeakPolarHBondContact O-CG 3.48Å; V2566-L2570 PolarHBondContact O-N 2.99Å; V2566-F2579 HydrophobicContact CG1-CE2 4.14Å; V2566-F2579 HydrophobicContact CG1-CZ 3.86Å; V2566-K2613 HydrophobicContact CG1-CD 4.05Å; V2566-K2613 HydrophobicContact CG1-CG 4.3Å; V2566-K2613 HydrophobicContact CG2-CB 4.49Å; V2566-K2613 HydrophobicContact CG2-CD 4.39Å; V2566-K2613 HydrophobicContact CG2-CG 4.01Å; V2566-A2617 HydrophobicContact CB-CB 4.45Å; V2566-A2617 HydrophobicContact CG2-CB 4.04Å |
| 2567 | R | 77.8 | Confident | 77.9 | Confident | 65 Ų | 65 | 55 Ų | 55 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.3 | -50.1 | 179 | -179 | -166.4 | -174 | 114 | 19.5 | 111.2 | G2282 D2286 S2564 P2565 L2569 L2570 E2571 | G2282-R2567 PolarHBondContact O-NH1 3.01Å; D2286-R2567 WeakPolarHBondContact OD1-CD 3.42Å; D2286-R2567 IonicContact OD1-CZ 3.83Å; D2286-R2567 IonicContact OD1-NE 3.54Å; D2286-R2567 IonicContact OD1-NH1 2.81Å; D2286-R2567 PolarHBondContact OD1-NH1 3.16Å; D2286-R2567 WeakPolarHBondContact OD2-CD 3.41Å; D2286-R2567 IonicContact OD2-CZ 2.69Å; D2286-R2567 IonicContact OD2-NE 3.93Å; D2286-R2567 PolarHBondContact OD2-NE 2.75Å; D2286-R2567 IonicContact OD2-NH1 3.96Å; D2286-R2567 PolarHBondContact OD2-NH1 2.92Å; S2564-R2567 WeakPolarHBondContact O-CA 3.41Å; S2564-R2567 VanDerWaalsContact O-CB 3.29Å; S2564-R2567 WeakPolarHBondContact O-CB 3.43Å; S2564-R2567 PolarHBondContact O-N 3.3Å; P2565-R2567 VanDerWaalsContact C-N 3.3Å; R2567-L2569 PolarHBondContact O-N 3.08Å; R2567-L2570 CarbonylContact O-C 3.48Å; R2567-L2570 WeakPolarHBondContact O-CA 3.22Å; R2567-L2570 WeakPolarHBondContact O-CB 3.37Å; R2567-L2570 PolarHBondContact O-N 2.89Å; R2567-E2571 HydrophobicContact CG-CG 4.27Å; R2567-E2571 IonicContact CZ-OE1 3.78Å; R2567-E2571 IonicContact NE-OE1 2.72Å; R2567-E2571 PolarHBondContact NE-OE1 3.48Å; R2567-E2571 IonicContact NH2-OE1 2.71Å; R2567-E2571 PolarHBondContact NH2-OE1 2.79Å; R2567-E2571 PolarHBondContact O-N 3.14Å |
| 2568 | Q | 82.4 | Confident | 78.1 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.9 | -35 | 179.7 | -166.6 | -174.4 | 47.7 | 0 | 0 | 111.7 | E2343 S2564 E2571 L2572 L2621 | E2343-Q2568 PolarHBondContact OE1-OE1 2.98Å; E2343-Q2568 PolarHBondContact OE2-NE2 2.92Å; E2343-Q2568 PolarHBondContact OE2-OE1 3.4Å; S2564-Q2568 PolarHBondContact O-N 3.07Å; Q2568-E2571 PolarHBondContact O-N 3.43Å; Q2568-L2572 WeakPolarHBondContact O-CG 3.23Å; Q2568-L2572 PolarHBondContact O-N 2.86Å; Q2568-L2572 VanDerWaalsContact O-N 3.1Å; Q2568-L2621 HydrophobicContact CB-CD1 4.32Å; Q2568-L2621 HydrophobicContact CB-CD2 4.39Å; Q2568-L2621 HydrophobicContact CG-CD2 4.17Å; Q2568-L2621 VanDerWaalsContact OE1-CD1 3.25Å |
| 2569 | L | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 170.7 | -178.3 | 64.3 | 0 | 0 | 0 | 113 | P2565 R2567 E2573 T2577 F2579 V2596 A2617 A2620 L2621 L2624 | P2565-L2569 WeakPolarHBondContact O-CB 3.36Å; P2565-L2569 PolarHBondContact O-N 3.48Å; R2567-L2569 PolarHBondContact O-N 3.08Å; L2569-E2573 PolarHBondContact O-N 3.03Å; L2569-T2577 HydrophobicContact CD2-CG2 3.74Å; L2569-T2577 HydrophobicContact CG-CG2 3.96Å; L2569-F2579 HydrophobicContact CD2-CZ 4.13Å; L2569-V2596 HydrophobicContact CD1-CG2 4.23Å; L2569-V2596 HydrophobicContact CD2-CG2 4.5Å; L2569-A2617 HydrophobicContact CB-CB 4.43Å; L2569-A2617 HydrophobicContact CD2-CB 3.93Å; L2569-A2620 HydrophobicContact CD1-CB 3.85Å; L2569-A2620 HydrophobicContact CD2-CB 3.84Å; L2569-L2621 HydrophobicContact CB-CD2 4.24Å; L2569-L2621 HydrophobicContact CB-CG 4.21Å; L2569-L2621 HydrophobicContact CD1-CD2 4.47Å; L2569-L2621 HydrophobicContact CD1-CG 4.49Å; L2569-L2624 HydrophobicContact CD1-CD1 3.4Å |
| 2570 | L | 82 | Confident | 78.7 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.5 | -21.7 | 177.1 | -70.9 | 166.2 | 0 | 0 | 0 | 113.3 | V2566 R2567 P2574 T2577 | V2566-L2570 HydrophobicContact CG1-CD1 4.37Å; V2566-L2570 WeakPolarHBondContact O-CD1 3.44Å; V2566-L2570 WeakPolarHBondContact O-CG 3.48Å; V2566-L2570 PolarHBondContact O-N 2.99Å; R2567-L2570 CarbonylContact O-C 3.48Å; R2567-L2570 WeakPolarHBondContact O-CA 3.22Å; R2567-L2570 WeakPolarHBondContact O-CB 3.37Å; R2567-L2570 PolarHBondContact O-N 2.89Å; L2570-P2574 WeakPolarHBondContact O-CA 3.44Å; L2570-P2574 WeakPolarHBondContact O-CB 3.33Å; L2570-T2577 HydrophobicContact CD2-CG2 4.06Å |
| 2571 | E | 77.9 | Confident | 78.9 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -80 | -30.4 | 172.3 | -72 | 179.3 | 171.1 | 0 | 0 | 111.6 | K2563 R2567 Q2568 | K2563-E2571 WeakPolarHBondContact CE-OE2 3.46Å; K2563-E2571 IonicContact NZ-OE2 3.41Å; K2563-E2571 PolarHBondContact NZ-OE2 3.36Å; R2567-E2571 HydrophobicContact CG-CG 4.27Å; R2567-E2571 IonicContact CZ-OE1 3.78Å; R2567-E2571 IonicContact NE-OE1 2.72Å; R2567-E2571 PolarHBondContact NE-OE1 3.48Å; R2567-E2571 IonicContact NH2-OE1 2.71Å; R2567-E2571 PolarHBondContact NH2-OE1 2.79Å; R2567-E2571 PolarHBondContact O-N 3.14Å; Q2568-E2571 PolarHBondContact O-N 3.43Å |
| 2572 | L | 80.5 | Confident | 79.1 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80.2 | -37.4 | 173.2 | -73.1 | 166.7 | 0 | 0 | 0 | 113.4 | Q2568 L2621 | Q2568-L2572 WeakPolarHBondContact O-CG 3.23Å; Q2568-L2572 PolarHBondContact O-N 2.86Å; Q2568-L2572 VanDerWaalsContact O-N 3.1Å; L2572-L2621 HydrophobicContact CD1-CD2 3.63Å |
| 2573 | E | 79.9 | Confident | 79.5 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -134.5 | 66.7 | -173.4 | -74.2 | -81.1 | -168.2 | 0 | 0 | 110.8 | L2569 E2575 G2576 T2577 V2596 K2599 L2624 | L2569-E2573 PolarHBondContact O-N 3.03Å; E2573-E2575 PolarHBondContact O-N 2.97Å; E2573-G2576 PolarHBondContact O-N 2.84Å; E2573-T2577 WeakPolarHBondContact CB-OG1 3.48Å; E2573-T2577 WeakPolarHBondContact O-CB 3.34Å; E2573-T2577 PolarHBondContact O-N 2.86Å; E2573-T2577 VanDerWaalsContact O-N 3.13Å; E2573-T2577 PolarHBondContact O-OG1 2.69Å; E2573-T2577 VanDerWaalsContact O-OG1 3.11Å; E2573-V2596 HydrophobicContact CB-CG1 4.32Å; E2573-V2596 HydrophobicContact CG-CG1 4.02Å; E2573-K2599 WeakPolarHBondContact OE1-CE 3.25Å; E2573-L2624 HydrophobicContact CG-CD1 4.14Å |
| 2574 | P | 71.2 | Confident | 79.6 | Confident | 94 Ų | 94 | 71.7 Ų | 71.7 | 61% | 0.61 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -37.6 | -167.5 | 23.5 | -34 | 0 | 0 | 0 | 114.9 | L2570 | L2570-P2574 WeakPolarHBondContact O-CA 3.44Å; L2570-P2574 WeakPolarHBondContact O-CB 3.33Å |
| 2575 | E | 70.6 | Confident | 79.5 | Confident | 170 Ų | 170 | 73.4 Ų | 73.4 | 79% | 0.794 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -21.7 | 174.3 | -57.1 | -157.6 | 156.2 | 0 | 0 | 112.5 | E2573 | E2573-E2575 PolarHBondContact O-N 2.97Š|
| 2576 | G | 75 | Confident | 78.4 | Confident | 10 Ų | 10 | 77.9 Ų | 77.9 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -29.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E2573 L2597 | E2573-G2576 PolarHBondContact O-N 2.84Å; G2576-L2597 PolarHBondContact O-N 3.48Å |
| 2577 | T | 81.9 | Confident | 77.3 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.5 | -170.5 | -60.4 | 0 | 0 | 0 | 0 | 114 | L2569 L2570 E2573 F2579 H2595 V2596 | L2569-T2577 HydrophobicContact CD2-CG2 3.74Å; L2569-T2577 HydrophobicContact CG-CG2 3.96Å; L2570-T2577 HydrophobicContact CD2-CG2 4.06Å; E2573-T2577 WeakPolarHBondContact CB-OG1 3.48Å; E2573-T2577 WeakPolarHBondContact O-CB 3.34Å; E2573-T2577 PolarHBondContact O-N 2.86Å; E2573-T2577 VanDerWaalsContact O-N 3.13Å; E2573-T2577 PolarHBondContact O-OG1 2.69Å; E2573-T2577 VanDerWaalsContact O-OG1 3.11Å; T2577-F2579 HydrophobicContact CG2-CD2 4.33Å; T2577-F2579 HydrophobicContact CG2-CE2 3.79Å; T2577-F2579 HydrophobicContact CG2-CZ 4.24Å; T2577-H2595 WeakPolarHBondContact CA-O 3.48Å; T2577-V2596 HydrophobicContact CG2-CG2 4.45Å |
| 2578 | K | 85 | Confident | 76.7 | Confident | 135 Ų | 135 | 76 Ų | 76 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.5 | 174.2 | -67.9 | 170.5 | -174.2 | 165.4 | 0 | 110.7 | H2595 | K2578-H2595 PolarHBondContact N-O 3.16Å; K2578-H2595 WeakPolarHBondContact O-CA 3.19Å; K2578-H2595 WeakPolarHBondContact O-CB 3.26Å; K2578-H2595 PolarHBondContact O-N 2.92Å |
| 2579 | F | 87.9 | Confident | 76.3 | Confident | 45 Ų | 45 | 79 Ų | 79 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.5 | 176.6 | -66.8 | -94.1 | 0 | 0 | 0 | 110.7 | V2566 L2569 T2577 V2592 C2593 A2594 K2613 A2617 | V2566-F2579 HydrophobicContact CG1-CE2 4.14Å; V2566-F2579 HydrophobicContact CG1-CZ 3.86Å; L2569-F2579 HydrophobicContact CD2-CZ 4.13Å; T2577-F2579 HydrophobicContact CG2-CD2 4.33Å; T2577-F2579 HydrophobicContact CG2-CE2 3.79Å; T2577-F2579 HydrophobicContact CG2-CZ 4.24Å; F2579-V2592 HydrophobicContact CD1-CG1 4.1Å; F2579-C2593 WeakPolarHBondContact CA-O 3.49Å; F2579-A2594 HydrophobicContact CD1-CB 3.8Å; F2579-A2594 HydrophobicContact CE1-CB 3.61Å; F2579-A2594 HydrophobicContact CZ-CB 4.33Å; F2579-K2613 HydrophobicContact CD1-CD 4.26Å; F2579-K2613 HydrophobicContact CD1-CG 3.66Å; F2579-K2613 VanDerWaalsContact CD2-CE 3.49Å; F2579-K2613 HydrophobicContact CE1-CD 4.31Å; F2579-K2613 HydrophobicContact CE1-CG 3.53Å; F2579-K2613 VanDerWaalsContact CG-CE 3.48Å; F2579-K2613 HydrophobicContact CG-CG 4.37Å; F2579-K2613 HydrophobicContact CZ-CG 4.18Å; F2579-A2617 HydrophobicContact CZ-CB 4.46Å |
| 2580 | E | 84.3 | Confident | 76 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 161.7 | 172.4 | -63.9 | -172.3 | -168.8 | 0 | 0 | 111.6 | R2583 C2593 R2601 | E2580-R2583 IonicContact OE2-CZ 3.63Å; E2580-R2583 IonicContact OE2-NE 3.55Å; E2580-R2583 IonicContact OE2-NH2 3.84Å; E2580-R2583 PolarHBondContact OE2-NH2 2.96Å; E2580-C2593 HydrophobicContact CB-CB 4.03Å; E2580-C2593 HydrophobicContact CG-CB 3.91Å; E2580-C2593 PolarHBondContact N-O 2.74Å; E2580-R2601 IonicContact OE1-CZ 2.68Å; E2580-R2601 IonicContact OE1-NH1 3.71Å; E2580-R2601 PolarHBondContact OE1-NH1 2.82Å |
| 2581 | R | 78.4 | Confident | 76.3 | Confident | 183 Ų | 183 | 77.4 Ų | 77.4 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 143.3 | 170.1 | -74 | -178.5 | 173.2 | 173.1 | -4.6 | 110.3 | Q1132 N1133 | Q1132-R2581 PolarHBondContact O-NH2 2.83Å; N1133-R2581 PolarHBondContact OD1-NH2 3.38Å; N1133-R2581 VanDerWaalsContact OD1-NH2 3.12Å |
| 2582 | A | 80.8 | Confident | 76.8 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2590 Y2609 | A2582-I2590 HydrophobicContact CB-CD1 4.39Å; A2582-I2590 HydrophobicContact CB-CG2 3.88Å; A2582-Y2609 HydrophobicContact CB-CD2 3.77Å; A2582-Y2609 HydrophobicContact CB-CE2 4.19Å |
| 2583 | R | 78.7 | Confident | 77.3 | Confident | 146 Ų | 146 | 69.1 Ų | 69.1 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.6 | 172.6 | -51.6 | -172.2 | -160.6 | -169 | 8.5 | 109 | E2580 S2591 | E2580-R2583 IonicContact OE2-CZ 3.63Å; E2580-R2583 IonicContact OE2-NE 3.55Å; E2580-R2583 IonicContact OE2-NH2 3.84Å; E2580-R2583 PolarHBondContact OE2-NH2 2.96Å; R2583-S2591 PolarHBondContact N-O 3.34Å; R2583-S2591 PolarHBondContact O-N 2.97Å |
| 2584 | R | 75.5 | Confident | 77.8 | Confident | 145 Ų | 145 | 66.9 Ų | 66.9 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127.7 | 174 | -153.5 | -179.5 | -157.5 | 175.2 | 7.5 | 108.9 | E1124 | E1124-R2584 VanDerWaalsContact CB-CZ 3.5Å; E1124-R2584 VanDerWaalsContact O-CZ 3.27Å; E1124-R2584 PolarHBondContact O-NH1 3.08Å; E1124-R2584 PolarHBondContact O-NH2 2.95Å; E1124-R2584 VanDerWaalsContact O-NH2 3.16Å; E1124-R2584 IonicContact OE2-CZ 2.72Å; E1124-R2584 IonicContact OE2-NE 2.67Å; E1124-R2584 PolarHBondContact OE2-NE 3.25Å; E1124-R2584 IonicContact OE2-NH2 3.31Å; E1124-R2584 PolarHBondContact OE2-NH2 2.99Å |
| 2585 | M | 71.4 | Confident | 78.6 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | trans | -91.1 | 167 | -179.9 | -71.3 | -174.5 | 63.8 | 0 | 0 | 111.4 | D2587 G2588 R2589 V2605 | M2585-D2587 WeakPolarHBondContact CB-OD1 3.36Å; M2585-D2587 PolarHBondContact O-N 3.21Å; M2585-G2588 PolarHBondContact O-N 3.23Å; M2585-R2589 WeakPolarHBondContact CB-O 3.47Å; M2585-R2589 PolarHBondContact N-O 3.39Å; M2585-V2605 HydrophobicContact SD-CG1 3.97Å; M2585-V2605 HydrophobicContact SD-CG2 3.93Å | ||
| 2586 | V | 58.5 | Low | 79.5 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 68% | 0.679 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -21.9 | -174.1 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | G2588 | V2586-G2588 VanDerWaalsContact C-N 3.28Š|
| 2587 | D | 59.3 | Low | 79.7 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.4 | 172.1 | 67.3 | -15.6 | 0 | 0 | 0 | 113.3 | R775 M2585 R2589 | R775-D2587 PolarHBondContact NH1-O 2.9Å; M2585-D2587 WeakPolarHBondContact CB-OD1 3.36Å; M2585-D2587 PolarHBondContact O-N 3.21Å; D2587-R2589 VanDerWaalsContact C-N 3.27Å; D2587-R2589 PolarHBondContact O-N 2.92Å; D2587-R2589 PolarHBondContact OD1-N 2.79Å; D2587-R2589 WeakPolarHBondContact OD2-CD 3.31Å; D2587-R2589 VanDerWaalsContact OD2-CG 3.3Å; D2587-R2589 WeakPolarHBondContact OD2-CG 3.31Å; D2587-R2589 IonicContact OD2-CZ 2.84Å; D2587-R2589 IonicContact OD2-NE 3.75Å; D2587-R2589 PolarHBondContact OD2-NE 3.08Å; D2587-R2589 IonicContact OD2-NH2 2.71Å |
| 2588 | G | 64 | Low | 79.4 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 68.9 | 17.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M2585 V2586 | M2585-G2588 PolarHBondContact O-N 3.23Å; V2586-G2588 VanDerWaalsContact C-N 3.28Å |
| 2589 | R | 73.8 | Confident | 79.2 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 156.8 | 168.4 | -61.5 | -175.2 | -135 | -138.6 | -1 | 110.4 | E768 M2585 D2587 V2605 G2606 | E768-R2589 IonicContact OE1-CZ 3.38Å; E768-R2589 IonicContact OE1-NH2 3.01Å; E768-R2589 PolarHBondContact OE1-NH2 2.89Å; E768-R2589 IonicContact OE2-CZ 3.62Å; E768-R2589 IonicContact OE2-NH2 3.23Å; E768-R2589 PolarHBondContact OE2-NH2 3.49Å; M2585-R2589 WeakPolarHBondContact CB-O 3.47Å; M2585-R2589 PolarHBondContact N-O 3.39Å; D2587-R2589 VanDerWaalsContact C-N 3.27Å; D2587-R2589 PolarHBondContact O-N 2.92Å; D2587-R2589 PolarHBondContact OD1-N 2.79Å; D2587-R2589 WeakPolarHBondContact OD2-CD 3.31Å; D2587-R2589 VanDerWaalsContact OD2-CG 3.3Å; D2587-R2589 WeakPolarHBondContact OD2-CG 3.31Å; D2587-R2589 IonicContact OD2-CZ 2.84Å; D2587-R2589 IonicContact OD2-NE 3.75Å; D2587-R2589 PolarHBondContact OD2-NE 3.08Å; D2587-R2589 IonicContact OD2-NH2 2.71Å; R2589-V2605 HydrophobicContact CB-CG1 3.79Å; R2589-G2606 WeakPolarHBondContact CB-O 3.34Å |
| 2590 | I | 80.1 | Confident | 79 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.9 | 169.3 | -78.4 | -177.7 | 0 | 0 | 0 | 110.2 | E1124 A2582 V2592 V2605 G2606 Y2609 A2612 | E1124-I2590 HydrophobicContact CG-CD1 4.11Å; E1124-I2590 WeakPolarHBondContact OE1-CD1 3.4Å; E1124-I2590 VanDerWaalsContact OE1-CG1 3.3Å; E1124-I2590 WeakPolarHBondContact OE1-CG1 3.47Å; A2582-I2590 HydrophobicContact CB-CD1 4.39Å; A2582-I2590 HydrophobicContact CB-CG2 3.88Å; I2590-V2592 HydrophobicContact CG2-CG2 3.8Å; I2590-V2605 CarbonylContact O-C 3.47Å; I2590-V2605 VanDerWaalsContact O-CA 3.3Å; I2590-V2605 WeakPolarHBondContact O-CA 3.33Å; I2590-G2606 PolarHBondContact N-O 3.14Å; I2590-G2606 PolarHBondContact O-N 3.47Å; I2590-Y2609 HydrophobicContact CG2-CD2 4.39Å; I2590-A2612 HydrophobicContact CB-CB 4.47Å; I2590-A2612 HydrophobicContact CG2-CB 3.9Å; I2590-A2612 VanDerWaalsContact O-CB 3.29Å; I2590-A2612 WeakPolarHBondContact O-CB 3.34Å |
| 2591 | S | 87 | Confident | 79.3 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.5 | 164 | -174 | 0 | 0 | 0 | 0 | 111.1 | R2583 G2604 | R2583-S2591 PolarHBondContact N-O 3.34Å; R2583-S2591 PolarHBondContact O-N 2.97Å; S2591-G2604 CarbonylContact C-O 3.44Å; S2591-G2604 WeakPolarHBondContact CA-O 3.38Å |
| 2592 | V | 89.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136 | 176 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | F2579 I2590 Y2603 G2604 Y2609 A2612 K2613 | F2579-V2592 HydrophobicContact CD1-CG1 4.1Å; I2590-V2592 HydrophobicContact CG2-CG2 3.8Å; V2592-Y2603 WeakPolarHBondContact O-CA 3.49Å; V2592-G2604 PolarHBondContact N-O 3.11Å; V2592-G2604 PolarHBondContact O-N 2.98Å; V2592-Y2609 HydrophobicContact CG1-CE2 4.17Å; V2592-Y2609 HydrophobicContact CG2-CD2 3.43Å; V2592-Y2609 VanDerWaalsContact CG2-CD2 3.43Å; V2592-Y2609 HydrophobicContact CG2-CE2 3.52Å; V2592-A2612 HydrophobicContact CB-CB 4.21Å; V2592-A2612 HydrophobicContact CG2-CB 3.68Å; V2592-K2613 HydrophobicContact CG1-CB 4.35Å; V2592-K2613 HydrophobicContact CG1-CG 4.38Å |
| 2593 | C | 89.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.8 | 172.1 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | F2579 E2580 F2602 Y2603 | F2579-C2593 WeakPolarHBondContact CA-O 3.49Å; E2580-C2593 HydrophobicContact CB-CB 4.03Å; E2580-C2593 HydrophobicContact CG-CB 3.91Å; E2580-C2593 PolarHBondContact N-O 2.74Å; C2593-F2602 WeakPolarHBondContact CA-O 3.32Å; C2593-Y2603 HydrophobicContact CB-CD1 3.77Å; C2593-Y2603 HydrophobicContact CB-CE1 3.64Å |
| 2594 | A | 90.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | F2579 R2601 F2602 A2616 | F2579-A2594 HydrophobicContact CD1-CB 3.8Å; F2579-A2594 HydrophobicContact CE1-CB 3.61Å; F2579-A2594 HydrophobicContact CZ-CB 4.33Å; A2594-R2601 WeakPolarHBondContact O-CA 3.5Å; A2594-F2602 PolarHBondContact N-O 3.11Å; A2594-F2602 PolarHBondContact O-N 2.66Å; A2594-A2616 HydrophobicContact CB-CB 4.07Å |
| 2595 | H | 88.8 | Confident | 81.2 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.9 | 173.9 | -167.8 | 143 | 0 | 0 | 0 | 108 | T2577 K2578 R2601 | T2577-H2595 WeakPolarHBondContact CA-O 3.48Å; K2578-H2595 PolarHBondContact N-O 3.16Å; K2578-H2595 WeakPolarHBondContact O-CA 3.19Å; K2578-H2595 WeakPolarHBondContact O-CB 3.26Å; K2578-H2595 PolarHBondContact O-N 2.92Å; H2595-R2601 HydrophobicContact CB-CG 4.29Å; H2595-R2601 PolarHBondContact ND1-NE 2.65Å |
| 2596 | V | 88.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | L2569 E2573 T2577 G2598 K2599 G2600 F2602 A2620 | L2569-V2596 HydrophobicContact CD1-CG2 4.23Å; L2569-V2596 HydrophobicContact CD2-CG2 4.5Å; E2573-V2596 HydrophobicContact CB-CG1 4.32Å; E2573-V2596 HydrophobicContact CG-CG1 4.02Å; T2577-V2596 HydrophobicContact CG2-CG2 4.45Å; V2596-G2598 PolarHBondContact O-N 3.22Å; V2596-K2599 HydrophobicContact CB-CB 4.05Å; V2596-K2599 HydrophobicContact CG1-CB 3.82Å; V2596-K2599 HydrophobicContact CG1-CG 3.81Å; V2596-K2599 PolarHBondContact O-N 3.02Å; V2596-G2600 PolarHBondContact N-O 2.97Å; V2596-G2600 PolarHBondContact O-N 3.44Å; V2596-F2602 HydrophobicContact CB-CE2 4.26Å; V2596-F2602 HydrophobicContact CG2-CD2 4.15Å; V2596-F2602 HydrophobicContact CG2-CE2 4.05Å; V2596-A2620 HydrophobicContact CG2-CB 4.28Å |
| 2597 | L | 80.1 | Confident | 81.9 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 135.3 | -179.5 | -80.3 | 158.2 | 0 | 0 | 0 | 110.5 | G2576 K2599 | G2576-L2597 PolarHBondContact O-N 3.48Å; L2597-K2599 PolarHBondContact O-N 3.33Å |
| 2598 | G | 75 | Confident | 82.7 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 92% | 0.918 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -8.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | V2596 | V2596-G2598 PolarHBondContact O-N 3.22Š|
| 2599 | K | 81.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -21.7 | -173.9 | -48 | -75.2 | -175.4 | 173.9 | 0 | 114.1 | E2573 V2596 L2597 L2624 L2627 | E2573-K2599 WeakPolarHBondContact OE1-CE 3.25Å; V2596-K2599 HydrophobicContact CB-CB 4.05Å; V2596-K2599 HydrophobicContact CG1-CB 3.82Å; V2596-K2599 HydrophobicContact CG1-CG 3.81Å; V2596-K2599 PolarHBondContact O-N 3.02Å; L2597-K2599 PolarHBondContact O-N 3.33Å; K2599-L2624 HydrophobicContact CB-CD2 4.2Å; K2599-L2624 HydrophobicContact CD-CD2 3.89Å; K2599-L2624 HydrophobicContact CG-CD2 3.75Å; K2599-L2627 HydrophobicContact CD-CD1 4.04Å |
| 2600 | G | 83.9 | Confident | 83.4 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.3 | -165.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V2596 | V2596-G2600 PolarHBondContact N-O 2.97Å; V2596-G2600 PolarHBondContact O-N 3.44Å |
| 2601 | R | 89.9 | Confident | 83.4 | Confident | 139 Ų | 139 | 61.1 Ų | 61.1 | 53% | 0.525 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.7 | 178.7 | -67.1 | -163.7 | -153.7 | -162.7 | 13.1 | 111.3 | E2580 A2594 H2595 Y2603 | E2580-R2601 IonicContact OE1-CZ 2.68Å; E2580-R2601 IonicContact OE1-NH1 3.71Å; E2580-R2601 PolarHBondContact OE1-NH1 2.82Å; A2594-R2601 WeakPolarHBondContact O-CA 3.5Å; H2595-R2601 HydrophobicContact CB-CG 4.29Å; H2595-R2601 PolarHBondContact ND1-NE 2.65Å; R2601-Y2603 HydrophobicContact CB-CE2 4.43Å |
| 2602 | F | 92.2 | Very high | 83.3 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | -175.2 | -54.6 | -79.9 | 0 | 0 | 0 | 110.6 | C2593 A2594 V2596 R2619 A2620 V2623 | C2593-F2602 WeakPolarHBondContact CA-O 3.32Å; A2594-F2602 PolarHBondContact N-O 3.11Å; A2594-F2602 PolarHBondContact O-N 2.66Å; V2596-F2602 HydrophobicContact CB-CE2 4.26Å; V2596-F2602 HydrophobicContact CG2-CD2 4.15Å; V2596-F2602 HydrophobicContact CG2-CE2 4.05Å; F2602-R2619 HydrophobicContact CB-CB 4.4Å; F2602-A2620 HydrophobicContact CB-CB 4.16Å; F2602-A2620 HydrophobicContact CD1-CB 4.45Å; F2602-A2620 HydrophobicContact CD2-CB 3.42Å; F2602-A2620 VanDerWaalsContact CD2-CB 3.42Å; F2602-A2620 HydrophobicContact CE2-CB 3.89Å; F2602-A2620 HydrophobicContact CG-CB 3.74Å; F2602-V2623 HydrophobicContact CE1-CB 3.9Å; F2602-V2623 HydrophobicContact CE1-CG1 4.16Å; F2602-V2623 HydrophobicContact CE1-CG2 3.82Å; F2602-V2623 HydrophobicContact CZ-CB 4.1Å; F2602-V2623 HydrophobicContact CZ-CG1 4.1Å |
| 2603 | Y | 89.8 | Confident | 83.1 | Confident | 112 Ų | 112 | 62.6 Ų | 62.6 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137 | -179.7 | -61.7 | -90.1 | 0 | 0 | 0 | 111.5 | V2592 C2593 R2601 R2619 | V2592-Y2603 WeakPolarHBondContact O-CA 3.49Å; C2593-Y2603 HydrophobicContact CB-CD1 3.77Å; C2593-Y2603 HydrophobicContact CB-CE1 3.64Å; R2601-Y2603 HydrophobicContact CB-CE2 4.43Å; Y2603-R2619 WeakPolarHBondContact O-CD 3.48Å; Y2603-R2619 PolarHBondContact O-NH1 3.21Å |
| 2604 | G | 88.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S2591 V2592 | S2591-G2604 CarbonylContact C-O 3.44Å; S2591-G2604 WeakPolarHBondContact CA-O 3.38Å; V2592-G2604 PolarHBondContact N-O 3.11Å; V2592-G2604 PolarHBondContact O-N 2.98Å |
| 2605 | V | 83.3 | Confident | 82.6 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.8 | 180 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | M2585 R2589 I2590 L2615 | M2585-V2605 HydrophobicContact SD-CG1 3.97Å; M2585-V2605 HydrophobicContact SD-CG2 3.93Å; R2589-V2605 HydrophobicContact CB-CG1 3.79Å; I2590-V2605 CarbonylContact O-C 3.47Å; I2590-V2605 VanDerWaalsContact O-CA 3.3Å; I2590-V2605 WeakPolarHBondContact O-CA 3.33Å; V2605-L2615 WeakPolarHBondContact O-CD1 3.42Å |
| 2606 | G | 74.7 | Confident | 82.7 | Confident | 9 Ų | 9 | 63 Ų | 63 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2589 I2590 N2608 | R2589-G2606 WeakPolarHBondContact CB-O 3.34Å; I2590-G2606 PolarHBondContact N-O 3.14Å; I2590-G2606 PolarHBondContact O-N 3.47Å; G2606-N2608 PolarHBondContact O-N 3.29Å |
| 2607 | R | 70.9 | Confident | 82.8 | Confident | 131 Ų | 131 | 63 Ų | 63 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -63.3 | -28.4 | -178.4 | -60.9 | -174 | -169.8 | -169.1 | 5.1 | 113.2 | E2515 | E2515-R2607 IonicContact OE1-NH1 3.75Å; E2515-R2607 PolarHBondContact OE1-NH1 3.49Å |
| 2608 | N | 75.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -143.7 | 163.6 | -178.8 | -39 | 68.1 | 0 | 0 | 0 | 109.3 | D1123 G2606 R2610 L2611 A2612 | D1123-N2608 PolarHBondContact OD2-ND2 2.98Å; G2606-N2608 PolarHBondContact O-N 3.29Å; N2608-R2610 VanDerWaalsContact C-N 3.34Å; N2608-R2610 PolarHBondContact O-N 3.19Å; N2608-L2611 PolarHBondContact O-N 3.04Å; N2608-A2612 PolarHBondContact O-N 3.45Å |
| 2609 | Y | 78.4 | Confident | 83.7 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 35% | 0.349 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.5 | -41.8 | -176.5 | 176.5 | -111 | 0 | 0 | 0 | 114.4 | A2582 I2590 V2592 L2611 A2612 K2613 | A2582-Y2609 HydrophobicContact CB-CD2 3.77Å; A2582-Y2609 HydrophobicContact CB-CE2 4.19Å; I2590-Y2609 HydrophobicContact CG2-CD2 4.39Å; V2592-Y2609 HydrophobicContact CG1-CE2 4.17Å; V2592-Y2609 HydrophobicContact CG2-CD2 3.43Å; V2592-Y2609 VanDerWaalsContact CG2-CD2 3.43Å; V2592-Y2609 HydrophobicContact CG2-CE2 3.52Å; Y2609-L2611 PolarHBondContact O-N 2.81Å; Y2609-A2612 PolarHBondContact O-N 2.95Å; Y2609-K2613 HydrophobicContact CE1-CD 4.03Å; Y2609-K2613 VanDerWaalsContact O-CB 3.3Å; Y2609-K2613 WeakPolarHBondContact O-CB 3.43Å; Y2609-K2613 PolarHBondContact O-N 3.43Å |
| 2610 | R | 74.8 | Confident | 84.1 | Confident | 198 Ų | 198 | 58.8 Ų | 58.8 | 75% | 0.747 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | -178.1 | -168.8 | 173.8 | -178.3 | 171.1 | -1 | 111.8 | N2608 K2613 S2614 | N2608-R2610 VanDerWaalsContact C-N 3.34Å; N2608-R2610 PolarHBondContact O-N 3.19Å; R2610-K2613 PolarHBondContact O-N 3.14Å; R2610-S2614 PolarHBondContact O-N 2.9Å; R2610-S2614 PolarHBondContact O-OG 3.35Å; R2610-S2614 VanDerWaalsContact O-OG 3.14Å |
| 2611 | L | 79.3 | Confident | 84.3 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67 | -46.1 | 178.5 | -72.9 | 169.8 | 0 | 0 | 0 | 112 | N2608 Y2609 K2613 S2614 L2615 | N2608-L2611 PolarHBondContact O-N 3.04Å; Y2609-L2611 PolarHBondContact O-N 2.81Å; L2611-K2613 VanDerWaalsContact C-N 3.31Å; L2611-K2613 PolarHBondContact O-N 3.43Å; L2611-S2614 WeakPolarHBondContact CA-OG 3.48Å; L2611-S2614 PolarHBondContact O-N 3.29Å; L2611-S2614 PolarHBondContact O-OG 3.35Å; L2611-L2615 WeakPolarHBondContact O-CG 3.25Å; L2611-L2615 PolarHBondContact O-N 3.04Å |
| 2612 | A | 83.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2590 V2592 N2608 Y2609 L2615 A2616 | I2590-A2612 HydrophobicContact CB-CB 4.47Å; I2590-A2612 HydrophobicContact CG2-CB 3.9Å; I2590-A2612 VanDerWaalsContact O-CB 3.29Å; I2590-A2612 WeakPolarHBondContact O-CB 3.34Å; V2592-A2612 HydrophobicContact CB-CB 4.21Å; V2592-A2612 HydrophobicContact CG2-CB 3.68Å; N2608-A2612 PolarHBondContact O-N 3.45Å; Y2609-A2612 PolarHBondContact O-N 2.95Å; A2612-L2615 PolarHBondContact O-N 3.48Å; A2612-A2616 WeakPolarHBondContact O-CB 3.19Å; A2612-A2616 PolarHBondContact O-N 3.41Å |
| 2613 | K | 86 | Confident | 83.8 | Confident | 50 Ų | 50 | 58 Ų | 58 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.2 | -166 | -178.7 | -171.2 | 173.8 | 0 | 112.5 | V2566 F2579 V2592 Y2609 R2610 L2611 A2616 A2617 | V2566-K2613 HydrophobicContact CG1-CD 4.05Å; V2566-K2613 HydrophobicContact CG1-CG 4.3Å; V2566-K2613 HydrophobicContact CG2-CB 4.49Å; V2566-K2613 HydrophobicContact CG2-CD 4.39Å; V2566-K2613 HydrophobicContact CG2-CG 4.01Å; F2579-K2613 HydrophobicContact CD1-CD 4.26Å; F2579-K2613 HydrophobicContact CD1-CG 3.66Å; F2579-K2613 VanDerWaalsContact CD2-CE 3.49Å; F2579-K2613 HydrophobicContact CE1-CD 4.31Å; F2579-K2613 HydrophobicContact CE1-CG 3.53Å; F2579-K2613 VanDerWaalsContact CG-CE 3.48Å; F2579-K2613 HydrophobicContact CG-CG 4.37Å; F2579-K2613 HydrophobicContact CZ-CG 4.18Å; V2592-K2613 HydrophobicContact CG1-CB 4.35Å; V2592-K2613 HydrophobicContact CG1-CG 4.38Å; Y2609-K2613 HydrophobicContact CE1-CD 4.03Å; Y2609-K2613 VanDerWaalsContact O-CB 3.3Å; Y2609-K2613 WeakPolarHBondContact O-CB 3.43Å; Y2609-K2613 PolarHBondContact O-N 3.43Å; R2610-K2613 PolarHBondContact O-N 3.14Å; L2611-K2613 VanDerWaalsContact C-N 3.31Å; L2611-K2613 PolarHBondContact O-N 3.43Å; K2613-A2616 PolarHBondContact O-N 3.48Å; K2613-A2617 WeakPolarHBondContact O-CB 3.21Å; K2613-A2617 PolarHBondContact O-N 3.14Å |
| 2614 | S | 83.1 | Confident | 83.5 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -36.2 | 175.4 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | R2610 L2611 A2617 K2618 | R2610-S2614 PolarHBondContact O-N 2.9Å; R2610-S2614 PolarHBondContact O-OG 3.35Å; R2610-S2614 VanDerWaalsContact O-OG 3.14Å; L2611-S2614 WeakPolarHBondContact CA-OG 3.48Å; L2611-S2614 PolarHBondContact O-N 3.29Å; L2611-S2614 PolarHBondContact O-OG 3.35Å; S2614-A2617 PolarHBondContact O-N 2.84Å; S2614-K2618 WeakPolarHBondContact O-CB 3.33Å; S2614-K2618 WeakPolarHBondContact O-CG 3.39Å; S2614-K2618 PolarHBondContact O-N 3.06Å |
| 2615 | L | 87.3 | Confident | 83.2 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 176 | -73.7 | 167.4 | 0 | 0 | 0 | 112.2 | V2605 L2611 A2612 R2619 | V2605-L2615 WeakPolarHBondContact O-CD1 3.42Å; L2611-L2615 WeakPolarHBondContact O-CG 3.25Å; L2611-L2615 PolarHBondContact O-N 3.04Å; A2612-L2615 PolarHBondContact O-N 3.48Å; L2615-R2619 VanDerWaalsContact O-CG 3.31Å; L2615-R2619 WeakPolarHBondContact O-CG 3.21Å; L2615-R2619 PolarHBondContact O-N 3.38Å |
| 2616 | A | 90.3 | Very high | 83 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | A2594 A2612 K2613 R2619 A2620 | A2594-A2616 HydrophobicContact CB-CB 4.07Å; A2612-A2616 WeakPolarHBondContact O-CB 3.19Å; A2612-A2616 PolarHBondContact O-N 3.41Å; K2613-A2616 PolarHBondContact O-N 3.48Å; A2616-R2619 PolarHBondContact O-N 3.23Å; A2616-A2620 PolarHBondContact O-N 3.02Å |
| 2617 | A | 90 | Very high | 82.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P2565 V2566 L2569 F2579 K2613 S2614 R2619 A2620 L2621 | P2565-A2617 HydrophobicContact CB-CB 4.39Å; P2565-A2617 WeakPolarHBondContact O-CB 3.48Å; V2566-A2617 HydrophobicContact CB-CB 4.45Å; V2566-A2617 HydrophobicContact CG2-CB 4.04Å; L2569-A2617 HydrophobicContact CB-CB 4.43Å; L2569-A2617 HydrophobicContact CD2-CB 3.93Å; F2579-A2617 HydrophobicContact CZ-CB 4.46Å; K2613-A2617 WeakPolarHBondContact O-CB 3.21Å; K2613-A2617 PolarHBondContact O-N 3.14Å; S2614-A2617 PolarHBondContact O-N 2.84Å; A2617-R2619 PolarHBondContact O-N 2.87Å; A2617-A2620 PolarHBondContact O-N 2.74Å; A2617-A2620 VanDerWaalsContact O-N 3.12Å; A2617-L2621 WeakPolarHBondContact O-CB 3.24Å; A2617-L2621 WeakPolarHBondContact O-CG 3.46Å; A2617-L2621 PolarHBondContact O-N 2.69Å |
| 2618 | K | 87.7 | Confident | 82.6 | Confident | 45 Ų | 45 | 65 Ų | 65 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.1 | -34.5 | 172.5 | -80.1 | 176 | 163.2 | 179.8 | 0 | 112.7 | E2342 P2565 S2614 R2622 | E2342-K2618 IonicContact OE1-NZ 3.44Å; E2342-K2618 PolarHBondContact OE1-NZ 2.93Å; E2342-K2618 WeakPolarHBondContact OE2-CD 3.47Å; E2342-K2618 WeakPolarHBondContact OE2-CE 3.05Å; E2342-K2618 IonicContact OE2-NZ 3.31Å; E2342-K2618 PolarHBondContact OE2-NZ 3.17Å; E2342-K2618 VanDerWaalsContact OE2-NZ 3.09Å; P2565-K2618 HydrophobicContact CB-CG 3.6Å; P2565-K2618 HydrophobicContact CG-CD 4.32Å; P2565-K2618 HydrophobicContact CG-CG 3.8Å; S2614-K2618 WeakPolarHBondContact O-CB 3.33Å; S2614-K2618 WeakPolarHBondContact O-CG 3.39Å; S2614-K2618 PolarHBondContact O-N 3.06Å; K2618-R2622 WeakPolarHBondContact O-CG 3.08Å; K2618-R2622 PolarHBondContact O-N 3.25Å |
| 2619 | R | 87.8 | Confident | 81.6 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 48% | 0.475 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73 | -42.4 | 175.4 | -73.5 | 169.2 | 175.8 | -165.2 | -5.2 | 112.2 | F2602 Y2603 L2615 A2616 A2617 V2623 | F2602-R2619 HydrophobicContact CB-CB 4.4Å; Y2603-R2619 WeakPolarHBondContact O-CD 3.48Å; Y2603-R2619 PolarHBondContact O-NH1 3.21Å; L2615-R2619 VanDerWaalsContact O-CG 3.31Å; L2615-R2619 WeakPolarHBondContact O-CG 3.21Å; L2615-R2619 PolarHBondContact O-N 3.38Å; A2616-R2619 PolarHBondContact O-N 3.23Å; A2617-R2619 PolarHBondContact O-N 2.87Å; R2619-V2623 PolarHBondContact O-N 3.37Å |
| 2620 | A | 89.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2569 V2596 F2602 A2616 A2617 R2622 V2623 L2624 | L2569-A2620 HydrophobicContact CD1-CB 3.85Å; L2569-A2620 HydrophobicContact CD2-CB 3.84Å; V2596-A2620 HydrophobicContact CG2-CB 4.28Å; F2602-A2620 HydrophobicContact CB-CB 4.16Å; F2602-A2620 HydrophobicContact CD1-CB 4.45Å; F2602-A2620 HydrophobicContact CD2-CB 3.42Å; F2602-A2620 VanDerWaalsContact CD2-CB 3.42Å; F2602-A2620 HydrophobicContact CE2-CB 3.89Å; F2602-A2620 HydrophobicContact CG-CB 3.74Å; A2616-A2620 PolarHBondContact O-N 3.02Å; A2617-A2620 PolarHBondContact O-N 2.74Å; A2617-A2620 VanDerWaalsContact O-N 3.12Å; A2620-R2622 PolarHBondContact O-N 3.3Å; A2620-V2623 PolarHBondContact O-N 3.43Å; A2620-L2624 PolarHBondContact O-N 2.92Å |
| 2621 | L | 87.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 178.1 | -76 | 165.7 | 0 | 0 | 0 | 113 | P2565 Q2568 L2569 L2572 A2617 V2623 L2624 R2625 | P2565-L2621 HydrophobicContact CB-CD1 3.71Å; P2565-L2621 VanDerWaalsContact O-CD1 3.31Å; P2565-L2621 WeakPolarHBondContact O-CD1 3.4Å; Q2568-L2621 HydrophobicContact CB-CD1 4.32Å; Q2568-L2621 HydrophobicContact CB-CD2 4.39Å; Q2568-L2621 HydrophobicContact CG-CD2 4.17Å; Q2568-L2621 VanDerWaalsContact OE1-CD1 3.25Å; L2569-L2621 HydrophobicContact CB-CD2 4.24Å; L2569-L2621 HydrophobicContact CB-CG 4.21Å; L2569-L2621 HydrophobicContact CD1-CD2 4.47Å; L2569-L2621 HydrophobicContact CD1-CG 4.49Å; L2572-L2621 HydrophobicContact CD1-CD2 3.63Å; A2617-L2621 WeakPolarHBondContact O-CB 3.24Å; A2617-L2621 WeakPolarHBondContact O-CG 3.46Å; A2617-L2621 PolarHBondContact O-N 2.69Å; L2621-V2623 PolarHBondContact O-N 3.12Å; L2621-L2624 PolarHBondContact O-N 3.04Å; L2621-R2625 WeakPolarHBondContact O-CB 3.41Å; L2621-R2625 WeakPolarHBondContact O-CG 3.45Å; L2621-R2625 PolarHBondContact O-N 3.27Å |
| 2622 | R | 86.2 | Confident | 75.5 | Confident | 128 Ų | 128 | 69.7 Ų | 69.7 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -25.8 | 176.3 | -78 | -176.6 | -130.8 | -174.8 | -6.5 | 113.5 | E2342 K2618 A2620 R2626 | E2342-R2622 IonicContact OE2-NH2 3.91Å; E2342-R2622 PolarHBondContact OE2-NH2 2.93Å; K2618-R2622 WeakPolarHBondContact O-CG 3.08Å; K2618-R2622 PolarHBondContact O-N 3.25Å; A2620-R2622 PolarHBondContact O-N 3.3Å; R2622-R2626 WeakPolarHBondContact O-CD 3.31Å; R2622-R2626 WeakPolarHBondContact O-CG 3.44Å |
| 2623 | V | 85.2 | Confident | 73 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -85.3 | -42.2 | 174.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | F2602 R2619 A2620 L2621 R2625 R2626 L2627 | F2602-V2623 HydrophobicContact CE1-CB 3.9Å; F2602-V2623 HydrophobicContact CE1-CG1 4.16Å; F2602-V2623 HydrophobicContact CE1-CG2 3.82Å; F2602-V2623 HydrophobicContact CZ-CB 4.1Å; F2602-V2623 HydrophobicContact CZ-CG1 4.1Å; R2619-V2623 PolarHBondContact O-N 3.37Å; A2620-V2623 PolarHBondContact O-N 3.43Å; L2621-V2623 PolarHBondContact O-N 3.12Å; V2623-R2625 PolarHBondContact O-N 2.98Å; V2623-R2626 PolarHBondContact O-N 3.04Å; V2623-L2627 HydrophobicContact CG1-CD1 3.96Å; V2623-L2627 HydrophobicContact CG1-CG 4.39Å; V2623-L2627 WeakPolarHBondContact O-CG 3.49Å; V2623-L2627 PolarHBondContact O-N 3.44Å |
| 2624 | L | 84.5 | Confident | 70.1 | Confident | 6 Ų | 6 | 78.1 Ų | 78.1 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.2 | -68.7 | 175.1 | 0 | 0 | 0 | 112.4 | L2569 E2573 K2599 A2620 L2621 R2626 L2627 N2628 | L2569-L2624 HydrophobicContact CD1-CD1 3.4Å; E2573-L2624 HydrophobicContact CG-CD1 4.14Å; K2599-L2624 HydrophobicContact CB-CD2 4.2Å; K2599-L2624 HydrophobicContact CD-CD2 3.89Å; K2599-L2624 HydrophobicContact CG-CD2 3.75Å; A2620-L2624 PolarHBondContact O-N 2.92Å; L2621-L2624 PolarHBondContact O-N 3.04Å; L2624-R2626 PolarHBondContact O-N 2.86Å; L2624-L2627 PolarHBondContact O-N 2.88Å; L2624-L2627 VanDerWaalsContact O-N 3.13Å; L2624-N2628 WeakPolarHBondContact O-CB 3.43Å; L2624-N2628 PolarHBondContact O-N 3.29Å; L2624-N2628 PolarHBondContact O-OD1 3.35Å |
| 2625 | R | 82.1 | Confident | 67.5 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -32.4 | 176.8 | -73.3 | -174 | -175.6 | 130.8 | 8.8 | 113.1 | E2343 L2621 V2623 | E2343-R2625 VanDerWaalsContact CD-NH1 3.3Å; E2343-R2625 IonicContact OE1-CZ 3.83Å; E2343-R2625 VanDerWaalsContact OE1-CZ 3.26Å; E2343-R2625 IonicContact OE1-NH1 2.91Å; E2343-R2625 PolarHBondContact OE1-NH1 3.16Å; E2343-R2625 IonicContact OE1-NH2 2.7Å; E2343-R2625 PolarHBondContact OE1-NH2 3.02Å; E2343-R2625 IonicContact OE2-CZ 3.6Å; E2343-R2625 IonicContact OE2-NH1 2.67Å; E2343-R2625 IonicContact OE2-NH2 3.66Å; E2343-R2625 PolarHBondContact OE2-NH2 3.22Å; L2621-R2625 WeakPolarHBondContact O-CB 3.41Å; L2621-R2625 WeakPolarHBondContact O-CG 3.45Å; L2621-R2625 PolarHBondContact O-N 3.27Å; V2623-R2625 PolarHBondContact O-N 2.98Å |
| 2626 | R | 79.1 | Confident | 64.5 | Low | 173 Ų | 173 | 85.8 Ų | 85.8 | 65% | 0.653 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -75.3 | -36.2 | 175 | -73.8 | 175.9 | 177.2 | -165.5 | -3 | 112.6 | R2622 V2623 L2624 N2628 | R2622-R2626 WeakPolarHBondContact O-CD 3.31Å; R2622-R2626 WeakPolarHBondContact O-CG 3.44Å; V2623-R2626 PolarHBondContact O-N 3.04Å; L2624-R2626 PolarHBondContact O-N 2.86Å; R2626-N2628 VanDerWaalsContact C-N 3.32Å |
| 2627 | L | 72.6 | Confident | 61.6 | Low | 102 Ų | 102 | 92 Ų | 92 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73 | -24.5 | 175.8 | -67.8 | 171.6 | 0 | 0 | 0 | 112.8 | K2599 V2623 L2624 | K2599-L2627 HydrophobicContact CD-CD1 4.04Å; V2623-L2627 HydrophobicContact CG1-CD1 3.96Å; V2623-L2627 HydrophobicContact CG1-CG 4.39Å; V2623-L2627 WeakPolarHBondContact O-CG 3.49Å; V2623-L2627 PolarHBondContact O-N 3.44Å; L2624-L2627 PolarHBondContact O-N 2.88Å; L2624-L2627 VanDerWaalsContact O-N 3.13Å |
| 2628 | N | 64.9 | Low | 58.6 | Low | 73 Ų | 73 | 97.8 Ų | 97.8 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 17.8 | 179 | -64.2 | 12.2 | 0 | 0 | 0 | 113 | K1888 L2624 R2626 | K1888-N2628 PolarHBondContact NZ-O 3.27Å; L2624-N2628 WeakPolarHBondContact O-CB 3.43Å; L2624-N2628 PolarHBondContact O-N 3.29Å; L2624-N2628 PolarHBondContact O-OD1 3.35Å; R2626-N2628 VanDerWaalsContact C-N 3.32Å |
| 2629 | Q | 52.7 | Low | 55.8 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -86.3 | 119.9 | 160.9 | -79.3 | 177.1 | -23.8 | 0 | 0 | 108.1 | S2631 | Q2629-S2631 PolarHBondContact O-N 3.48Š|
| 2630 | P | 39.5 | Very low | 52.9 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | trans | -65.4 | 120.4 | 179.8 | 27 | -33.3 | 0 | 0 | 0 | 109.5 | Q2632 | P2630-Q2632 PolarHBondContact O-N 2.99Š| ||
| 2631 | S | 35.7 | Very low | 49.8 | Very low | 97 Ų | 97 | 107.1 Ų | 107.1 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | trans | -66 | 114.3 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 109.5 | Q2629 T2633 | Q2629-S2631 PolarHBondContact O-N 3.48Å; S2631-T2633 VanDerWaalsContact C-N 3.27Å; S2631-T2633 PolarHBondContact O-N 3.45Å | ||
| 2632 | Q | 30 | Very low | 46.9 | Very low | 190 Ų | 190 | 116.8 Ų | 116.8 | 89% | 0.888 | 63% | 0.628 | S | S | * | * | trans | -65.9 | 90.8 | 165.4 | -76.7 | -175.1 | -19 | 0 | 0 | 108.9 | P2630 T2634 | P2630-Q2632 PolarHBondContact O-N 2.99Å; Q2632-T2634 PolarHBondContact O-N 3.13Å | ||
| 2633 | T | 30.8 | Very low | 44.2 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 71% | 0.712 | 64% | 0.637 | S | S | * | * | trans | -75.5 | 91 | 175.4 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | S2631 | S2631-T2633 VanDerWaalsContact C-N 3.27Å; S2631-T2633 PolarHBondContact O-N 3.45Å | ||
| 2634 | T | 26.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | trans | -60 | 127.6 | 160.6 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | Q2632 V2636 | Q2632-T2634 PolarHBondContact O-N 3.13Å; T2634-V2636 PolarHBondContact O-N 2.78Å | ||
| 2635 | P | 26.6 | Very low | 38.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | -76.7 | 86.5 | -177.8 | 30.2 | -34.5 | 0 | 0 | 0 | 110.4 | T2637 | P2635-T2637 PolarHBondContact O-N 2.99Å; P2635-T2637 VanDerWaalsContact O-N 3.08Å | ||
| 2636 | V | 25.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -78.1 | 90.1 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | T2634 T2638 | T2634-V2636 PolarHBondContact O-N 2.78Å; V2636-T2638 HydrophobicContact CG1-CG2 4.24Å; V2636-T2638 PolarHBondContact O-N 3.28Å; V2636-T2638 VanDerWaalsContact O-N 3.09Å | ||
| 2637 | T | 29.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -70.3 | 97.8 | 172.5 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | P2635 N2639 | P2635-T2637 PolarHBondContact O-N 2.99Å; P2635-T2637 VanDerWaalsContact O-N 3.08Å; T2637-N2639 PolarHBondContact O-N 3.2Å | ||
| 2638 | T | 26.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -82.8 | 107 | 170.7 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | V2636 | V2636-T2638 HydrophobicContact CG1-CG2 4.24Å; V2636-T2638 PolarHBondContact O-N 3.28Å; V2636-T2638 VanDerWaalsContact O-N 3.09Å | ||
| 2639 | N | 28.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -85.6 | 145.6 | 152.5 | -76.2 | -21.5 | 0 | 0 | 0 | 108.6 | T2637 | T2637-N2639 PolarHBondContact O-N 3.2Š| ||
| 2640 | G | 26.8 | Very low | 28.9 | Very low | 61 Ų | 61 | 139 Ų | 139 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -75.6 | -171.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2641 | D | 25.5 | Very low | 28.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | cis | -150 | 175.1 | 14.8 | -79.9 | -53.2 | 0 | 0 | 0 | 112.6 | ||||
| 2642 | Y | 27 | Very low | 27.8 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 102.5 | 125.3 | 154.2 | -71.1 | -76.6 | 0 | 0 | 0 | 121.9 | ||||
| 2643 | D | 29.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | 84.6 | 108.1 | 149.5 | -73 | -39.1 | 0 | 0 | 0 | 123.3 | ||||
| 2644 | Q | 30.8 | Very low | 27.4 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | 80.2 | 92.2 | 134.9 | -63.6 | 175.8 | 38.1 | 0 | 0 | 120.8 | ||||
| 2645 | Q | 26.3 | Very low | 27.4 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | 33.6 | 100.7 | 127.2 | -65.2 | -176.9 | -19.5 | 0 | 0 | 119.5 | |||||
| 2646 | S | 26.9 | Very low | 27.5 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 100% | 1.385 | 82% | 0.821 | S | S | * | * | -158.9 | 0 | 127.4 | 70 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 2,646 of 2,646 residues in 4439.4 ms
(Link to these results)