| 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 | 27 | Very low | 29 | Very low | 170 Ų | 170 | 74.5 Ų | 74.5 | 84% | 0.837 | 45% | 0.449 | S | S | * | . | 0 | -11.5 | 0 | -87.8 | -159.9 | -156.7 | 0 | 0 | 116 | G3 E216 | M1-G3 PolarHBondContact O-N 3.41Å; M1-E216 PolarHBondContact N-OE2 3.42Å | |||
| 2 | Q | 29 | Very low | 29.1 | Very low | 134 Ų | 134 | 77.2 Ų | 77.2 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.2 | -26.8 | 179 | -78.3 | 177.3 | -15.9 | 0 | 0 | 114.2 | A6 | Q2-A6 PolarHBondContact O-N 2.77Å |
| 3 | G | 27.9 | Very low | 29.4 | Very low | 38 Ų | 38 | 74.3 Ų | 74.3 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 A6 S7 | M1-G3 PolarHBondContact O-N 3.41Å; G3-A6 PolarHBondContact O-N 3Å; G3-S7 PolarHBondContact O-N 3.05Å |
| 4 | V | 30.9 | Very low | 29.8 | Very low | 48 Ų | 48 | 73.9 Ų | 73.9 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.7 | -33.1 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | S7 V8 E213 | V4-S7 PolarHBondContact O-N 3.12Å; V4-V8 HydrophobicContact CG1-CB 4.24Å; V4-V8 HydrophobicContact CG1-CG2 3.48Å; V4-V8 VanDerWaalsContact CG1-CG2 3.48Å; V4-V8 VanDerWaalsContact O-CB 3.26Å; V4-V8 WeakPolarHBondContact O-CB 3.33Å; V4-V8 WeakPolarHBondContact O-CG2 3.32Å; V4-V8 PolarHBondContact O-N 2.71Å; V4-E213 WeakPolarHBondContact CG2-OE1 3.35Å |
| 5 | A | 26 | Very low | 30.5 | Very low | 51 Ų | 51 | 69.8 Ų | 69.8 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -60.7 | -48.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S7 T9 | A5-S7 PolarHBondContact O-N 2.95Å; A5-T9 WeakPolarHBondContact O-CA 3.46Å; A5-T9 WeakPolarHBondContact O-CB 3.2Å; A5-T9 WeakPolarHBondContact O-CG2 3.35Å; A5-T9 PolarHBondContact O-N 3.26Å; A5-T9 PolarHBondContact O-OG1 3.24Å |
| 6 | A | 28.8 | Very low | 31 | Very low | 43 Ų | 43 | 73.7 Ų | 73.7 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -60.5 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q2 G3 D10 | Q2-A6 PolarHBondContact O-N 2.77Å; G3-A6 PolarHBondContact O-N 3Å; A6-D10 WeakPolarHBondContact O-CA 3.47Å; A6-D10 WeakPolarHBondContact O-CB 3.24Å; A6-D10 PolarHBondContact O-N 2.93Å |
| 7 | S | 28.3 | Very low | 31.3 | Very low | 47 Ų | 47 | 72.7 Ų | 72.7 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -71.1 | -40.2 | -177.4 | 165.9 | 0 | 0 | 0 | 0 | 114.9 | G3 V4 A5 T11 | G3-S7 PolarHBondContact O-N 3.05Å; V4-S7 PolarHBondContact O-N 3.12Å; A5-S7 PolarHBondContact O-N 2.95Å; S7-T11 PolarHBondContact O-N 3.41Å; S7-T11 PolarHBondContact O-OG1 2.88Å |
| 8 | V | 27.1 | Very low | 31.7 | Very low | 60 Ų | 60 | 75.1 Ų | 75.1 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -88.9 | -35.5 | -174.8 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | V4 T11 L12 | V4-V8 HydrophobicContact CG1-CB 4.24Å; V4-V8 HydrophobicContact CG1-CG2 3.48Å; V4-V8 VanDerWaalsContact CG1-CG2 3.48Å; V4-V8 VanDerWaalsContact O-CB 3.26Å; V4-V8 WeakPolarHBondContact O-CB 3.33Å; V4-V8 WeakPolarHBondContact O-CG2 3.32Å; V4-V8 PolarHBondContact O-N 2.71Å; V8-T11 PolarHBondContact O-N 3Å; V8-T11 PolarHBondContact O-OG1 3.34Å; V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 PolarHBondContact O-N 2.9Å |
| 9 | T | 27.9 | Very low | 32.1 | Very low | 79 Ų | 79 | 71.7 Ų | 71.7 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -74.8 | -25.5 | 168.4 | 72.4 | 0 | 0 | 0 | 0 | 112 | A5 T11 G13 N14 | A5-T9 WeakPolarHBondContact O-CA 3.46Å; A5-T9 WeakPolarHBondContact O-CB 3.2Å; A5-T9 WeakPolarHBondContact O-CG2 3.35Å; A5-T9 PolarHBondContact O-N 3.26Å; A5-T9 PolarHBondContact O-OG1 3.24Å; T9-T11 PolarHBondContact O-N 3.43Å; T9-G13 CarbonylContact O-C 3.22Å; T9-G13 WeakPolarHBondContact O-CA 3.35Å; T9-G13 PolarHBondContact O-N 2.95Å; T9-N14 PolarHBondContact O-N 3.48Å |
| 10 | D | 33.1 | Very low | 32.4 | Very low | 93 Ų | 93 | 72.1 Ų | 72.1 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76 | -7.9 | 166.2 | -76.3 | -15.4 | 0 | 0 | 0 | 113.7 | A6 N14 | A6-D10 WeakPolarHBondContact O-CA 3.47Å; A6-D10 WeakPolarHBondContact O-CB 3.24Å; A6-D10 PolarHBondContact O-N 2.93Å; D10-N14 WeakPolarHBondContact CA-ND2 3.23Å; D10-N14 WeakPolarHBondContact CB-ND2 3.36Å; D10-N14 VanDerWaalsContact O-CB 3.3Å; D10-N14 WeakPolarHBondContact O-CB 3.36Å; D10-N14 PolarHBondContact OD1-ND2 3.45Å |
| 11 | T | 33.2 | Very low | 32.6 | Very low | 56 Ų | 56 | 75.4 Ų | 75.4 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -95.7 | -51.3 | 165.1 | 14.7 | 0 | 0 | 0 | 0 | 111.6 | S7 V8 T9 L15 | S7-T11 PolarHBondContact O-N 3.41Å; S7-T11 PolarHBondContact O-OG1 2.88Å; V8-T11 PolarHBondContact O-N 3Å; V8-T11 PolarHBondContact O-OG1 3.34Å; T9-T11 PolarHBondContact O-N 3.43Å; T11-L15 WeakPolarHBondContact O-CA 3.47Å; T11-L15 WeakPolarHBondContact O-CB 3.49Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.95Å |
| 12 | L | 30.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 69.3 Ų | 69.3 | 56% | 0.56 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -84.8 | -38.2 | -177.2 | -76.3 | 163.1 | 0 | 0 | 0 | 114.2 | V8 L15 | V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 PolarHBondContact O-N 2.9Å; L12-L15 HydrophobicContact CD2-CD1 4.01Å; L12-L15 WeakPolarHBondContact O-CB 3.36Å |
| 13 | G | 32.4 | Very low | 33.2 | Very low | 40 Ų | 40 | 63.5 Ų | 63.5 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T9 L15 K16 P17 | T9-G13 CarbonylContact O-C 3.22Å; T9-G13 WeakPolarHBondContact O-CA 3.35Å; T9-G13 PolarHBondContact O-N 2.95Å; G13-L15 PolarHBondContact O-N 3.32Å; G13-K16 PolarHBondContact O-N 3.5Å; G13-P17 WeakPolarHBondContact O-CD 3.36Å |
| 14 | N | 35.7 | Very low | 33.6 | Very low | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.9 | 170.7 | -70.4 | -26.5 | 0 | 0 | 0 | 112.8 | T9 D10 K16 P17 W18 | T9-N14 PolarHBondContact O-N 3.48Å; D10-N14 WeakPolarHBondContact CA-ND2 3.23Å; D10-N14 WeakPolarHBondContact CB-ND2 3.36Å; D10-N14 VanDerWaalsContact O-CB 3.3Å; D10-N14 WeakPolarHBondContact O-CB 3.36Å; D10-N14 PolarHBondContact OD1-ND2 3.45Å; N14-K16 PolarHBondContact O-N 3.27Å; N14-P17 WeakPolarHBondContact O-CD 3.34Å; N14-W18 VanDerWaalsContact O-CA 3.31Å; N14-W18 WeakPolarHBondContact O-CA 3.31Å; N14-W18 WeakPolarHBondContact O-CB 3.25Å; N14-W18 PolarHBondContact O-N 2.64Å |
| 15 | L | 39.1 | Very low | 33.9 | Very low | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.9 | -36.7 | 172.5 | -108.2 | 162.8 | 0 | 0 | 0 | 111.2 | T11 L12 G13 W18 L19 L98 | T11-L15 WeakPolarHBondContact O-CA 3.47Å; T11-L15 WeakPolarHBondContact O-CB 3.49Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.95Å; L12-L15 HydrophobicContact CD2-CD1 4.01Å; L12-L15 WeakPolarHBondContact O-CB 3.36Å; G13-L15 PolarHBondContact O-N 3.32Å; L15-W18 HydrophobicContact CD2-CE3 4.08Å; L15-W18 HydrophobicContact CD2-CZ3 4.21Å; L15-L19 HydrophobicContact CD2-CD1 3.34Å; L15-L19 HydrophobicContact CD2-CG 3.85Å; L15-L19 WeakPolarHBondContact O-CA 3.13Å; L15-L19 WeakPolarHBondContact O-CB 3.17Å; L15-L19 WeakPolarHBondContact O-CD1 3.31Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 3.44Å; L15-L98 HydrophobicContact CD1-CD1 3.92Å; L15-L98 HydrophobicContact CD2-CD1 4.32Å; L15-L98 HydrophobicContact CD2-CD2 3.55Å; L15-L98 HydrophobicContact CD2-CG 4.44Å; L15-L98 HydrophobicContact CG-CD1 4.41Å; L15-L98 HydrophobicContact CG-CD2 4.49Å |
| 16 | K | 38.6 | Very low | 34.1 | Very low | 132 Ų | 132 | 68.1 Ų | 68.1 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.5 | -49 | -179.2 | -154.5 | -178.7 | -173.4 | -179.7 | 0 | 112.1 | G13 N14 Q20 | G13-K16 PolarHBondContact O-N 3.5Å; N14-K16 PolarHBondContact O-N 3.27Å; K16-Q20 WeakPolarHBondContact O-CA 3.48Å; K16-Q20 WeakPolarHBondContact O-CB 3.27Å; K16-Q20 WeakPolarHBondContact O-CG 3.19Å; K16-Q20 PolarHBondContact O-N 3Å |
| 17 | P | 35.8 | Very low | 34.5 | Very low | 57 Ų | 57 | 73.4 Ų | 73.4 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 169.9 | -21.1 | 31.6 | 0 | 0 | 0 | 115.4 | G13 N14 Q20 K21 | G13-P17 WeakPolarHBondContact O-CD 3.36Å; N14-P17 WeakPolarHBondContact O-CD 3.34Å; P17-Q20 CarbonylContact O-C 3.59Å; P17-Q20 PolarHBondContact O-N 3.35Å; P17-K21 WeakPolarHBondContact O-CA 3.33Å; P17-K21 WeakPolarHBondContact O-CB 3.48Å; P17-K21 WeakPolarHBondContact O-CG 3.48Å; P17-K21 PolarHBondContact O-N 3.14Å |
| 18 | W | 39.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 76.6 Ų | 76.6 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.1 | -43.9 | 177.2 | 177.2 | 81.3 | 0 | 0 | 0 | 110.1 | N14 L15 Q20 K21 V22 L98 | N14-W18 VanDerWaalsContact O-CA 3.31Å; N14-W18 WeakPolarHBondContact O-CA 3.31Å; N14-W18 WeakPolarHBondContact O-CB 3.25Å; N14-W18 PolarHBondContact O-N 2.64Å; L15-W18 HydrophobicContact CD2-CE3 4.08Å; L15-W18 HydrophobicContact CD2-CZ3 4.21Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; W18-K21 PolarHBondContact O-N 3.11Å; W18-V22 HydrophobicContact CD2-CG2 4.15Å; W18-V22 HydrophobicContact CG-CG2 4.46Å; W18-V22 HydrophobicContact CZ2-CG2 4.18Å; W18-V22 WeakPolarHBondContact O-CA 3.35Å; W18-V22 WeakPolarHBondContact O-CB 3.42Å; W18-V22 WeakPolarHBondContact O-CG2 3.49Å; W18-V22 PolarHBondContact O-N 3.33Å; W18-L98 HydrophobicContact CZ3-CD2 4.28Å |
| 19 | L | 38.4 | Very low | 35.4 | Very low | 10 Ų | 10 | 76.8 Ų | 76.8 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 168.1 | -74.3 | 161.4 | 0 | 0 | 0 | 110.7 | L15 T23 F34 I65 | L15-L19 HydrophobicContact CD2-CD1 3.34Å; L15-L19 HydrophobicContact CD2-CG 3.85Å; L15-L19 WeakPolarHBondContact O-CA 3.13Å; L15-L19 WeakPolarHBondContact O-CB 3.17Å; L15-L19 WeakPolarHBondContact O-CD1 3.31Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 3.44Å; L19-T23 WeakPolarHBondContact O-CA 3.46Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 WeakPolarHBondContact O-CG2 3.46Å; L19-T23 PolarHBondContact O-N 2.64Å; L19-T23 PolarHBondContact O-OG1 3.36Å; L19-F34 HydrophobicContact CB-CZ 4.47Å; L19-I65 HydrophobicContact CD1-CG2 3.81Å; L19-I65 HydrophobicContact CD2-CG2 4.25Å |
| 20 | Q | 38.2 | Very low | 36 | Very low | 80 Ų | 80 | 73.2 Ų | 73.2 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 173.1 | -83.9 | 172.3 | -21.6 | 0 | 0 | 111.9 | K16 P17 W18 T23 A24 | K16-Q20 WeakPolarHBondContact O-CA 3.48Å; K16-Q20 WeakPolarHBondContact O-CB 3.27Å; K16-Q20 WeakPolarHBondContact O-CG 3.19Å; K16-Q20 PolarHBondContact O-N 3Å; P17-Q20 CarbonylContact O-C 3.59Å; P17-Q20 PolarHBondContact O-N 3.35Å; W18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-T23 WeakPolarHBondContact CA-OG1 3.17Å; Q20-T23 PolarHBondContact O-OG1 3.03Å; Q20-A24 WeakPolarHBondContact O-CA 3.49Å; Q20-A24 WeakPolarHBondContact O-CB 3.32Å; Q20-A24 PolarHBondContact O-N 2.9Å |
| 21 | K | 36.5 | Very low | 36.4 | Very low | 141 Ų | 141 | 71.2 Ų | 71.2 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -75.2 | -45.4 | 174.7 | -86.7 | -175.8 | 172.8 | -175.8 | 0 | 111 | P17 W18 T23 A24 Q25 | P17-K21 WeakPolarHBondContact O-CA 3.33Å; P17-K21 WeakPolarHBondContact O-CB 3.48Å; P17-K21 WeakPolarHBondContact O-CG 3.48Å; P17-K21 PolarHBondContact O-N 3.14Å; W18-K21 PolarHBondContact O-N 3.11Å; K21-T23 PolarHBondContact O-N 3.02Å; K21-A24 PolarHBondContact O-N 2.88Å; K21-Q25 WeakPolarHBondContact O-CB 3.35Å; K21-Q25 VanDerWaalsContact O-CG 3.25Å; K21-Q25 WeakPolarHBondContact O-CG 3.22Å; K21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | V | 35.3 | Very low | 37 | Very low | 42 Ų | 42 | 75.1 Ų | 75.1 | 26% | 0.255 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 171.1 | 171.1 | 0 | 0 | 0 | 0 | 109.7 | W18 S26 | W18-V22 HydrophobicContact CD2-CG2 4.15Å; W18-V22 HydrophobicContact CG-CG2 4.46Å; W18-V22 HydrophobicContact CZ2-CG2 4.18Å; W18-V22 WeakPolarHBondContact O-CA 3.35Å; W18-V22 WeakPolarHBondContact O-CB 3.42Å; W18-V22 WeakPolarHBondContact O-CG2 3.49Å; W18-V22 PolarHBondContact O-N 3.33Å; V22-S26 WeakPolarHBondContact O-CA 3.45Å; V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.18Å; V22-S26 PolarHBondContact O-OG 2.9Å |
| 23 | T | 34.7 | Very low | 37.7 | Very low | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.08 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -82.3 | -28.5 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | L19 Q20 K21 S26 D30 F34 | L19-T23 WeakPolarHBondContact O-CA 3.46Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 WeakPolarHBondContact O-CG2 3.46Å; L19-T23 PolarHBondContact O-N 2.64Å; L19-T23 PolarHBondContact O-OG1 3.36Å; Q20-T23 WeakPolarHBondContact CA-OG1 3.17Å; Q20-T23 PolarHBondContact O-OG1 3.03Å; K21-T23 PolarHBondContact O-N 3.02Å; T23-S26 VanDerWaalsContact CA-OG 3.28Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.91Å; T23-S26 VanDerWaalsContact O-OG 3.06Å; T23-D30 HydrophobicContact CG2-CB 3.47Å; T23-D30 VanDerWaalsContact CG2-CB 3.47Å; T23-F34 HydrophobicContact CG2-CE2 3.83Å |
| 24 | A | 36.6 | Very low | 38.4 | Very low | 85 Ų | 85 | 72.8 Ų | 72.8 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -78.1 | -28.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q20 K21 | Q20-A24 WeakPolarHBondContact O-CA 3.49Å; Q20-A24 WeakPolarHBondContact O-CB 3.32Å; Q20-A24 PolarHBondContact O-N 2.9Å; K21-A24 PolarHBondContact O-N 2.88Å |
| 25 | Q | 36.9 | Very low | 39 | Very low | 124 Ų | 124 | 74.7 Ų | 74.7 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -96.2 | -29.9 | 178.3 | -67.8 | 177.1 | -14.8 | 0 | 0 | 112.6 | K21 | K21-Q25 WeakPolarHBondContact O-CB 3.35Å; K21-Q25 VanDerWaalsContact O-CG 3.25Å; K21-Q25 WeakPolarHBondContact O-CG 3.22Å; K21-Q25 PolarHBondContact O-N 3.42Å |
| 26 | S | 30.3 | Very low | 39.2 | Very low | 24 Ų | 24 | 76.6 Ų | 76.6 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -59.5 | 151.5 | 161.6 | 70.8 | 0 | 0 | 0 | 0 | 107.6 | V22 T23 D30 | V22-S26 WeakPolarHBondContact O-CA 3.45Å; V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.18Å; V22-S26 PolarHBondContact O-OG 2.9Å; T23-S26 VanDerWaalsContact CA-OG 3.28Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.91Å; T23-S26 VanDerWaalsContact O-OG 3.06Å; S26-D30 VanDerWaalsContact CB-OD2 3.3Å; S26-D30 WeakPolarHBondContact CB-OD2 3.39Å; S26-D30 WeakPolarHBondContact OG-CB 3.44Å; S26-D30 PolarHBondContact OG-OD2 3.45Å |
| 27 | K | 36 | Very low | 39.5 | Very low | 154 Ų | 154 | 76.7 Ų | 76.7 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | trans | -38.6 | 144.7 | 168.6 | -71.7 | 175.9 | 178.8 | 176.5 | 0 | 109.2 | T29 D30 | K27-T29 HydrophobicContact CB-CG2 4.45Å; K27-T29 WeakPolarHBondContact CB-OG1 3.5Å; K27-T29 WeakPolarHBondContact O-CA 3.5Å; K27-T29 PolarHBondContact O-N 3.19Å; K27-T29 PolarHBondContact O-OG1 3.36Å; K27-T29 VanDerWaalsContact O-OG1 3.13Å; K27-D30 PolarHBondContact O-N 2.95Å; K27-D30 VanDerWaalsContact O-N 3.15Å | ||
| 28 | P | 34.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 78 Ų | 78 | 74% | 0.74 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 9.8 | 179.4 | 19.6 | -31.5 | 0 | 0 | 0 | 115.4 | ||
| 29 | T | 40.7 | Very low | 40.2 | Very low | 65 Ų | 65 | 78.5 Ų | 78.5 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -40.5 | 165.5 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | K27 A31 R32 | K27-T29 HydrophobicContact CB-CG2 4.45Å; K27-T29 WeakPolarHBondContact CB-OG1 3.5Å; K27-T29 WeakPolarHBondContact O-CA 3.5Å; K27-T29 PolarHBondContact O-N 3.19Å; K27-T29 PolarHBondContact O-OG1 3.36Å; K27-T29 VanDerWaalsContact O-OG1 3.13Å; T29-A31 PolarHBondContact O-N 3.11Å; T29-R32 VanDerWaalsContact O-CB 3.31Å; T29-R32 WeakPolarHBondContact O-CB 3.48Å; T29-R32 PolarHBondContact O-N 3.13Å; T29-R32 VanDerWaalsContact O-N 3.14Å |
| 30 | D | 39.7 | Very low | 41.2 | Very low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -75.4 | -27.9 | -170.6 | -62.4 | 4.5 | 0 | 0 | 0 | 112.7 | T23 S26 K27 R32 Y33 K62 | T23-D30 HydrophobicContact CG2-CB 3.47Å; T23-D30 VanDerWaalsContact CG2-CB 3.47Å; S26-D30 VanDerWaalsContact CB-OD2 3.3Å; S26-D30 WeakPolarHBondContact CB-OD2 3.39Å; S26-D30 WeakPolarHBondContact OG-CB 3.44Å; S26-D30 PolarHBondContact OG-OD2 3.45Å; K27-D30 PolarHBondContact O-N 2.95Å; K27-D30 VanDerWaalsContact O-N 3.15Å; D30-R32 PolarHBondContact O-N 3.3Å; D30-R32 VanDerWaalsContact O-N 3.13Å; D30-Y33 VanDerWaalsContact CA-CD2 3.46Å; D30-Y33 HydrophobicContact CB-CD2 3.68Å; D30-Y33 HydrophobicContact CB-CE2 3.64Å; D30-Y33 VanDerWaalsContact CG-CE2 3.44Å; D30-Y33 VanDerWaalsContact O-CB 3.25Å; D30-Y33 WeakPolarHBondContact O-CB 3.34Å; D30-Y33 VanDerWaalsContact O-CD2 3.24Å; D30-Y33 WeakPolarHBondContact O-CD2 3.48Å; D30-Y33 VanDerWaalsContact O-CG 3.29Å; D30-Y33 PolarHBondContact O-N 3.15Å; D30-Y33 WeakPolarHBondContact OD1-CE2 3.3Å; D30-K62 IonicContact OD1-NZ 3.4Å; D30-K62 WeakPolarHBondContact OD2-CD 3.44Å; D30-K62 IonicContact OD2-NZ 2.82Å; D30-K62 PolarHBondContact OD2-NZ 3.38Å |
| 31 | A | 41.8 | Very low | 42.4 | Very low | 51 Ų | 51 | 77.9 Ų | 77.9 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -59.7 | -24.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T29 Y33 F34 | T29-A31 PolarHBondContact O-N 3.11Å; A31-Y33 PolarHBondContact O-N 2.9Å; A31-F34 PolarHBondContact O-N 3.12Å |
| 32 | R | 46.8 | Very low | 44 | Very low | 139 Ų | 139 | 74.8 Ų | 74.8 | 53% | 0.525 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -69.8 | -16 | 174.9 | -60.4 | -170.5 | 178.3 | 179.7 | 3 | 113.1 | T29 D30 F34 T35 | T29-R32 VanDerWaalsContact O-CB 3.31Å; T29-R32 WeakPolarHBondContact O-CB 3.48Å; T29-R32 PolarHBondContact O-N 3.13Å; T29-R32 VanDerWaalsContact O-N 3.14Å; D30-R32 PolarHBondContact O-N 3.3Å; D30-R32 VanDerWaalsContact O-N 3.13Å; R32-F34 PolarHBondContact O-N 3.49Å; R32-T35 PolarHBondContact O-N 2.86Å; R32-T35 PolarHBondContact O-OG1 3.38Å |
| 33 | Y | 43.9 | Very low | 45.8 | Very low | 30 Ų | 30 | 80.5 Ų | 80.5 | 12% | 0.118 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -68.6 | -16 | 178 | -57.1 | -31.8 | 0 | 0 | 0 | 113.3 | D30 A31 E59 K62 K63 A66 | D30-Y33 VanDerWaalsContact CA-CD2 3.46Å; D30-Y33 HydrophobicContact CB-CD2 3.68Å; D30-Y33 HydrophobicContact CB-CE2 3.64Å; D30-Y33 VanDerWaalsContact CG-CE2 3.44Å; D30-Y33 VanDerWaalsContact O-CB 3.25Å; D30-Y33 WeakPolarHBondContact O-CB 3.34Å; D30-Y33 VanDerWaalsContact O-CD2 3.24Å; D30-Y33 WeakPolarHBondContact O-CD2 3.48Å; D30-Y33 VanDerWaalsContact O-CG 3.29Å; D30-Y33 PolarHBondContact O-N 3.15Å; D30-Y33 WeakPolarHBondContact OD1-CE2 3.3Å; A31-Y33 PolarHBondContact O-N 2.9Å; Y33-E59 PolarHBondContact OH-OE2 3.32Å; Y33-K62 HydrophobicContact CD2-CB 4.25Å; Y33-K62 HydrophobicContact CE2-CB 3.94Å; Y33-K62 HydrophobicContact CE2-CD 4.38Å; Y33-K63 HydrophobicContact CD1-CB 4.29Å; Y33-K63 HydrophobicContact CD1-CD 4.12Å; Y33-K63 HydrophobicContact CD1-CG 3.18Å; Y33-K63 HydrophobicContact CD2-CG 4.22Å; Y33-K63 HydrophobicContact CE1-CD 3.81Å; Y33-K63 HydrophobicContact CE1-CG 3.21Å; Y33-K63 HydrophobicContact CE2-CG 4.22Å; Y33-K63 HydrophobicContact CG-CB 4.46Å; Y33-K63 HydrophobicContact CG-CG 3.73Å; Y33-A66 VanDerWaalsContact CB-CB 3.48Å |
| 34 | F | 47.6 | Very low | 47.9 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -94.6 | -12.1 | 178.6 | -65.2 | -84.9 | 0 | 0 | 0 | 114.2 | L19 T23 A31 R32 A66 T69 V70 | L19-F34 HydrophobicContact CB-CZ 4.47Å; T23-F34 HydrophobicContact CG2-CE2 3.83Å; A31-F34 PolarHBondContact O-N 3.12Å; R32-F34 PolarHBondContact O-N 3.49Å; F34-A66 HydrophobicContact CD1-CB 4.35Å; F34-A66 HydrophobicContact CD2-CB 4.45Å; F34-A66 HydrophobicContact CE1-CB 3.98Å; F34-A66 HydrophobicContact CE2-CB 4.1Å; F34-A66 HydrophobicContact CZ-CB 3.84Å; F34-T69 HydrophobicContact CE1-CG2 4.37Å; F34-V70 HydrophobicContact CD1-CG2 3.55Å; F34-V70 HydrophobicContact CE1-CG2 4.25Å; F34-V70 HydrophobicContact CG-CG2 4.48Å |
| 35 | T | 47.9 | Very low | 49.9 | Very low | 108 Ų | 108 | 81.6 Ų | 81.6 | 66% | 0.663 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -106.5 | -2.7 | -168.7 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | R32 | R32-T35 PolarHBondContact O-N 2.86Å; R32-T35 PolarHBondContact O-OG1 3.38Å |
| 36 | T | 44.8 | Very low | 51.9 | Low | 53 Ų | 53 | 80 Ų | 80 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | trans | -98.6 | 126.1 | -176.2 | 43.7 | 0 | 0 | 0 | 0 | 113.5 | E41 K72 | T36-E41 PolarHBondContact OG1-OE1 2.83Å; T36-K72 PolarHBondContact O-NZ 3.49Å | ||
| 37 | T | 44.1 | Very low | 54.4 | Low | 135 Ų | 135 | 81.7 Ų | 81.7 | 83% | 0.828 | 43% | 0.433 | S | S | * | . | trans | -116.3 | 47 | 174.4 | 33.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | K | 44.4 | Very low | 56.6 | Low | 85 Ų | 85 | 76.9 Ų | 76.9 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | trans | -87.4 | 131.5 | 179 | -69.3 | -168.8 | -174.1 | -177.1 | 0 | 112 | E41 E716 E717 Q718 | K38-E41 WeakPolarHBondContact O-CB 3.38Å; K38-E716 PolarHBondContact NZ-O 2.98Å; K38-E717 WeakPolarHBondContact CE-O 3.49Å; K38-E717 PolarHBondContact NZ-O 3.48Å; K38-Q718 WeakPolarHBondContact CD-O 3.35Å; K38-Q718 WeakPolarHBondContact CE-O 3.48Å; K38-Q718 WeakPolarHBondContact CG-O 3.36Å | ||
| 39 | K | 46.1 | Very low | 58.9 | Low | 125 Ų | 125 | 71.4 Ų | 71.4 | 54% | 0.543 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 131.2 | 164.2 | -78.6 | -159.6 | 175.5 | 175.7 | 0 | 110 | T720 Q721 S722 | K39-T720 WeakPolarHBondContact CD-O 3.2Å; K39-Q721 WeakPolarHBondContact CE-O 3.25Å; K39-Q721 PolarHBondContact NZ-O 3.14Å; K39-S722 PolarHBondContact NZ-O 3.42Å |
| 40 | G | 57.8 | Low | 60.8 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106 | -8.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I42 F43 E44 | G40-I42 VanDerWaalsContact C-N 3.25Å; G40-I42 PolarHBondContact O-N 3.38Å; G40-F43 WeakPolarHBondContact O-CB 3.23Å; G40-F43 PolarHBondContact O-N 2.76Å; G40-E44 PolarHBondContact O-N 3.37Å; G40-E44 VanDerWaalsContact O-N 3.12Å |
| 41 | E | 65.2 | Low | 62.8 | Low | 33 Ų | 33 | 72.8 Ų | 72.8 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.2 | -37.7 | -178.6 | -162.4 | 171.3 | -140.1 | 0 | 0 | 112.3 | T36 K38 F43 E44 L45 K72 | T36-E41 PolarHBondContact OG1-OE1 2.83Å; K38-E41 WeakPolarHBondContact O-CB 3.38Å; E41-F43 VanDerWaalsContact C-N 3.33Å; E41-F43 PolarHBondContact O-N 3.24Å; E41-E44 PolarHBondContact O-N 2.88Å; E41-L45 HydrophobicContact CG-CD1 4.08Å; E41-L45 HydrophobicContact CG-CG 4.41Å; E41-L45 VanDerWaalsContact O-CB 3.29Å; E41-L45 WeakPolarHBondContact O-CB 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.31Å; E41-L45 PolarHBondContact O-N 3.29Å; E41-K72 IonicContact OE1-NZ 2.68Å; E41-K72 IonicContact OE2-NZ 3.75Å; E41-K72 PolarHBondContact OE2-NZ 2.87Å |
| 42 | I | 68.5 | Low | 64.5 | Low | 77 Ų | 77 | 79.6 Ų | 79.6 | 40% | 0.395 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.8 | -61.5 | 178.7 | 0 | 0 | 0 | 111.3 | G40 K46 A76 L77 | G40-I42 VanDerWaalsContact C-N 3.25Å; G40-I42 PolarHBondContact O-N 3.38Å; I42-K46 VanDerWaalsContact O-CB 3.3Å; I42-K46 WeakPolarHBondContact O-CB 3.38Å; I42-K46 PolarHBondContact O-N 3.02Å; I42-A76 HydrophobicContact CG2-CB 4.31Å; I42-L77 HydrophobicContact CG2-CD1 4.49Å; I42-L77 HydrophobicContact CG2-CD2 3.75Å; I42-L77 HydrophobicContact CG2-CG 3.99Å; I42-L77 WeakPolarHBondContact O-CD2 3.44Å |
| 43 | F | 74 | Confident | 66.1 | Low | 161 Ų | 161 | 80.5 Ų | 80.5 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.6 | -40.8 | 179.5 | -175.9 | -95.3 | 0 | 0 | 0 | 111.6 | G40 E41 K46 A47 | G40-F43 WeakPolarHBondContact O-CB 3.23Å; G40-F43 PolarHBondContact O-N 2.76Å; E41-F43 VanDerWaalsContact C-N 3.33Å; E41-F43 PolarHBondContact O-N 3.24Å; F43-K46 WeakPolarHBondContact O-CB 3.2Å; F43-K46 PolarHBondContact O-N 3.1Å; F43-A47 PolarHBondContact O-N 2.93Å |
| 44 | E | 78.3 | Confident | 67.6 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 55% | 0.547 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.5 | -68.4 | -178.3 | -176.4 | 0 | 0 | 111.2 | G40 E41 K46 A47 E48 | G40-E44 PolarHBondContact O-N 3.37Å; G40-E44 VanDerWaalsContact O-N 3.12Å; E41-E44 PolarHBondContact O-N 2.88Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.36Å; E44-A47 PolarHBondContact O-N 3.22Å; E44-A47 VanDerWaalsContact O-N 3.14Å; E44-E48 WeakPolarHBondContact O-CG 3.48Å; E44-E48 PolarHBondContact O-N 3.32Å |
| 45 | L | 79.7 | Confident | 69.2 | Low | 5 Ų | 5 | 89 Ų | 89 | 3% | 0.026 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.5 | -70.1 | 172.1 | 0 | 0 | 0 | 111.2 | E41 A47 E48 L49 K63 V64 L77 | E41-L45 HydrophobicContact CG-CD1 4.08Å; E41-L45 HydrophobicContact CG-CG 4.41Å; E41-L45 VanDerWaalsContact O-CB 3.29Å; E41-L45 WeakPolarHBondContact O-CB 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.31Å; E41-L45 PolarHBondContact O-N 3.29Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 2.87Å; L45-E48 PolarHBondContact O-N 3.43Å; L45-L49 WeakPolarHBondContact O-CB 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.18Å; L45-K63 HydrophobicContact CD2-CB 3.43Å; L45-K63 VanDerWaalsContact CD2-CB 3.43Å; L45-K63 HydrophobicContact CD2-CD 3.62Å; L45-K63 HydrophobicContact CD2-CG 4.17Å; L45-V64 HydrophobicContact CB-CG2 4.34Å; L45-V64 HydrophobicContact CD1-CG2 4Å; L45-V64 HydrophobicContact CD2-CG2 4.29Å; L45-V64 HydrophobicContact CG-CG2 4.44Å; L45-L77 HydrophobicContact CB-CD1 3.73Å; L45-L77 HydrophobicContact CD1-CD1 4.01Å |
| 46 | K | 79.1 | Confident | 70.8 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 174.6 | -176.5 | 161 | -175.2 | 153.5 | 0 | 112.3 | I42 F43 E44 N50 L77 D80 | I42-K46 VanDerWaalsContact O-CB 3.3Å; I42-K46 WeakPolarHBondContact O-CB 3.38Å; I42-K46 PolarHBondContact O-N 3.02Å; F43-K46 WeakPolarHBondContact O-CB 3.2Å; F43-K46 PolarHBondContact O-N 3.1Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.36Å; K46-N50 PolarHBondContact O-N 2.87Å; K46-N50 PolarHBondContact O-ND2 2.72Å; K46-L77 HydrophobicContact CB-CD2 3.71Å; K46-L77 HydrophobicContact CG-CD2 4.48Å; K46-D80 WeakPolarHBondContact CD-OD2 3.5Å; K46-D80 WeakPolarHBondContact CE-OD1 3.47Å; K46-D80 WeakPolarHBondContact CE-OD2 3.45Å; K46-D80 WeakPolarHBondContact CG-OD2 3.4Å; K46-D80 IonicContact NZ-OD2 2.77Å; K46-D80 PolarHBondContact NZ-OD2 3.13Å |
| 47 | A | 81.8 | Confident | 72.7 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F43 E44 L45 N50 S51 | F43-A47 PolarHBondContact O-N 2.93Å; E44-A47 PolarHBondContact O-N 3.22Å; E44-A47 VanDerWaalsContact O-N 3.14Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 2.87Å; A47-N50 PolarHBondContact O-N 3.12Å; A47-S51 PolarHBondContact O-N 2.98Å |
| 48 | E | 82.9 | Confident | 74.4 | Confident | 52 Ų | 52 | 82 Ų | 82 | 24% | 0.243 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.3 | -38.3 | 177.6 | -67.5 | -176.2 | 178.8 | 0 | 0 | 112.6 | E44 L45 N50 S51 A60 K63 | E44-E48 WeakPolarHBondContact O-CG 3.48Å; E44-E48 PolarHBondContact O-N 3.32Å; L45-E48 PolarHBondContact O-N 3.43Å; E48-N50 VanDerWaalsContact C-N 3.3Å; E48-N50 PolarHBondContact O-N 3.24Å; E48-S51 WeakPolarHBondContact O-CB 3.26Å; E48-S51 PolarHBondContact O-N 3.02Å; E48-S51 VanDerWaalsContact O-N 3.1Å; E48-A60 HydrophobicContact CB-CB 3.57Å; E48-K63 IonicContact OE1-NZ 3.79Å; E48-K63 PolarHBondContact OE1-NZ 2.99Å; E48-K63 IonicContact OE2-NZ 2.92Å; E48-K63 PolarHBondContact OE2-NZ 3.37Å |
| 49 | L | 81.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 175 | -73.1 | 170.1 | 0 | 0 | 0 | 112 | L45 S51 K57 A60 V61 V64 L77 D80 V81 C84 | L45-L49 WeakPolarHBondContact O-CB 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.18Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 2.9Å; L49-K57 WeakPolarHBondContact O-CD 3.35Å; L49-K57 VanDerWaalsContact O-CE 3.23Å; L49-K57 WeakPolarHBondContact O-CE 3.3Å; L49-K57 WeakPolarHBondContact O-CG 3.19Å; L49-A60 HydrophobicContact CD2-CB 3.77Å; L49-A60 HydrophobicContact CG-CB 3.92Å; L49-V61 HydrophobicContact CD2-CB 4.46Å; L49-V61 HydrophobicContact CD2-CG2 3.46Å; L49-V61 VanDerWaalsContact CD2-CG2 3.46Å; L49-V64 HydrophobicContact CD1-CG2 4.26Å; L49-L77 HydrophobicContact CD1-CB 4.11Å; L49-L77 HydrophobicContact CD1-CD1 4.28Å; L49-L77 HydrophobicContact CD1-CD2 4.22Å; L49-L77 HydrophobicContact CD1-CG 4.45Å; L49-D80 HydrophobicContact CB-CB 4.16Å; L49-D80 HydrophobicContact CD1-CB 3.89Å; L49-V81 HydrophobicContact CD1-CG2 3.76Å; L49-V81 HydrophobicContact CD2-CG2 4.18Å; L49-C84 PolarHBondContact O-SG 2.67Å; L49-C84 VanDerWaalsContact O-SG 3.4Å |
| 50 | N | 82.1 | Confident | 78.1 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.3 | 175.8 | -71.3 | -61.6 | 0 | 0 | 0 | 113.5 | K46 A47 E48 D80 | K46-N50 PolarHBondContact O-N 2.87Å; K46-N50 PolarHBondContact O-ND2 2.72Å; A47-N50 PolarHBondContact O-N 3.12Å; E48-N50 VanDerWaalsContact C-N 3.3Å; E48-N50 PolarHBondContact O-N 3.24Å; N50-D80 PolarHBondContact ND2-OD1 3.41Å |
| 51 | S | 80.7 | Confident | 79.4 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | trans | -65 | 140.4 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | A47 E48 L49 R53 K57 | A47-S51 PolarHBondContact O-N 2.98Å; E48-S51 WeakPolarHBondContact O-CB 3.26Å; E48-S51 PolarHBondContact O-N 3.02Å; E48-S51 VanDerWaalsContact O-N 3.1Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 2.9Å; S51-R53 PolarHBondContact O-N 2.62Å; S51-R53 PolarHBondContact OG-N 2.86Å; S51-K57 WeakPolarHBondContact O-CE 3.27Å; S51-K57 WeakPolarHBondContact O-CG 3.38Å | ||
| 52 | E | 77.5 | Confident | 80.4 | Confident | 194 Ų | 194 | 70.9 Ų | 70.9 | 91% | 0.907 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -63.5 | -21.8 | 172.9 | -62.3 | -179.4 | 170.9 | 0 | 0 | 113 | R54 | E52-R54 PolarHBondContact O-N 2.9Š|
| 53 | R | 80.1 | Confident | 81.1 | Confident | 159 Ų | 159 | 69.5 Ų | 69.5 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | trans | -81.9 | 115.4 | -179 | -74.5 | -173.9 | -92.2 | 178.4 | -12.9 | 111.2 | S51 E55 K56 K57 | S51-R53 PolarHBondContact O-N 2.62Å; S51-R53 PolarHBondContact OG-N 2.86Å; R53-E55 VanDerWaalsContact C-N 3.29Å; R53-E55 PolarHBondContact O-N 2.85Å; R53-K56 HydrophobicContact CB-CB 4.15Å; R53-K56 HydrophobicContact CB-CD 4.31Å; R53-K56 HydrophobicContact CB-CG 4.1Å; R53-K56 VanDerWaalsContact CZ-CE 3.41Å; R53-K56 WeakPolarHBondContact O-CB 3.27Å; R53-K56 PolarHBondContact O-N 3.31Å; R53-K57 PolarHBondContact O-N 3.4Å; R53-K57 VanDerWaalsContact O-N 3.13Å | ||
| 54 | R | 76 | Confident | 81.6 | Confident | 163 Ų | 163 | 61.9 Ų | 61.9 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -52.1 | -42.4 | 177.6 | -68.3 | -179.4 | 178.9 | 175.3 | -5.3 | 113.7 | E52 K56 K57 K58 | E52-R54 PolarHBondContact O-N 2.9Å; R54-K56 VanDerWaalsContact C-N 3.32Å; R54-K56 PolarHBondContact O-N 3.22Å; R54-K57 WeakPolarHBondContact O-CB 3.39Å; R54-K57 PolarHBondContact O-N 3.32Å; R54-K58 PolarHBondContact O-N 3.1Å |
| 55 | E | 80.6 | Confident | 81.7 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 179.3 | -167 | 64.8 | -175 | 0 | 0 | 112 | R53 K58 E59 | R53-E55 VanDerWaalsContact C-N 3.29Å; R53-E55 PolarHBondContact O-N 2.85Å; E55-K58 WeakPolarHBondContact O-CB 3.42Å; E55-K58 PolarHBondContact O-N 2.94Å; E55-K58 WeakPolarHBondContact OE1-CE 3.36Å; E55-K58 IonicContact OE1-NZ 2.7Å; E55-K58 PolarHBondContact OE1-NZ 2.86Å; E55-K58 WeakPolarHBondContact OE2-CE 3.2Å; E55-K58 IonicContact OE2-NZ 2.67Å; E55-K58 PolarHBondContact OE2-NZ 3.07Å; E55-E59 WeakPolarHBondContact O-CG 3.37Å; E55-E59 PolarHBondContact O-N 3.32Å |
| 56 | K | 82.5 | Confident | 81.5 | Confident | 85 Ų | 85 | 56.1 Ų | 56.1 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.1 | -75.2 | -169.1 | 164.4 | -164.9 | 0 | 111.9 | R53 R54 K58 E59 A60 | R53-K56 HydrophobicContact CB-CB 4.15Å; R53-K56 HydrophobicContact CB-CD 4.31Å; R53-K56 HydrophobicContact CB-CG 4.1Å; R53-K56 VanDerWaalsContact CZ-CE 3.41Å; R53-K56 WeakPolarHBondContact O-CB 3.27Å; R53-K56 PolarHBondContact O-N 3.31Å; R54-K56 VanDerWaalsContact C-N 3.32Å; R54-K56 PolarHBondContact O-N 3.22Å; K56-K58 VanDerWaalsContact C-N 3.3Å; K56-K58 PolarHBondContact O-N 3.05Å; K56-E59 PolarHBondContact O-N 3.02Å; K56-A60 VanDerWaalsContact O-CB 3.29Å; K56-A60 WeakPolarHBondContact O-CB 3.3Å; K56-A60 PolarHBondContact O-N 3.07Å |
| 57 | K | 83.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 52 Ų | 52 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 173.7 | -63 | -164.8 | 174.6 | -160.2 | 0 | 111.2 | L49 S51 R53 R54 A60 V61 L92 | L49-K57 WeakPolarHBondContact O-CD 3.35Å; L49-K57 VanDerWaalsContact O-CE 3.23Å; L49-K57 WeakPolarHBondContact O-CE 3.3Å; L49-K57 WeakPolarHBondContact O-CG 3.19Å; S51-K57 WeakPolarHBondContact O-CE 3.27Å; S51-K57 WeakPolarHBondContact O-CG 3.38Å; R53-K57 PolarHBondContact O-N 3.4Å; R53-K57 VanDerWaalsContact O-N 3.13Å; R54-K57 WeakPolarHBondContact O-CB 3.39Å; R54-K57 PolarHBondContact O-N 3.32Å; K57-A60 WeakPolarHBondContact O-CB 3.5Å; K57-A60 PolarHBondContact O-N 3.42Å; K57-V61 WeakPolarHBondContact O-CG2 3.46Å; K57-V61 PolarHBondContact O-N 3.49Å; K57-L92 HydrophobicContact CB-CD2 4.25Å |
| 58 | K | 80.8 | Confident | 81.4 | Confident | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.1 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 177.4 | -170.7 | -173.6 | 77.2 | -169.3 | 0 | 112.3 | R54 E55 K56 A60 V61 K62 E91 L92 L95 | R54-K58 PolarHBondContact O-N 3.1Å; E55-K58 WeakPolarHBondContact O-CB 3.42Å; E55-K58 PolarHBondContact O-N 2.94Å; E55-K58 WeakPolarHBondContact OE1-CE 3.36Å; E55-K58 IonicContact OE1-NZ 2.7Å; E55-K58 PolarHBondContact OE1-NZ 2.86Å; E55-K58 WeakPolarHBondContact OE2-CE 3.2Å; E55-K58 IonicContact OE2-NZ 2.67Å; E55-K58 PolarHBondContact OE2-NZ 3.07Å; K56-K58 VanDerWaalsContact C-N 3.3Å; K56-K58 PolarHBondContact O-N 3.05Å; K58-A60 VanDerWaalsContact C-N 3.28Å; K58-A60 PolarHBondContact O-N 3.13Å; K58-V61 PolarHBondContact O-N 3.27Å; K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 3.28Å; K58-E91 HydrophobicContact CD-CG 4.45Å; K58-E91 IonicContact NZ-OE2 3.13Å; K58-L92 HydrophobicContact CB-CD1 4.39Å; K58-L95 HydrophobicContact CG-CD1 4.14Å |
| 59 | E | 83.1 | Confident | 81 | Confident | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 178.2 | -64.6 | -52.1 | 126.9 | 0 | 0 | 111.9 | Y33 E55 K56 K62 K63 | Y33-E59 PolarHBondContact OH-OE2 3.32Å; E55-E59 WeakPolarHBondContact O-CG 3.37Å; E55-E59 PolarHBondContact O-N 3.32Å; K56-E59 PolarHBondContact O-N 3.02Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-K62 IonicContact OE1-NZ 3.47Å; E59-K62 PolarHBondContact OE1-NZ 2.92Å; E59-K62 IonicContact OE2-NZ 3.09Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.92Å |
| 60 | A | 85.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E48 L49 K56 K57 K58 K62 K63 V64 | E48-A60 HydrophobicContact CB-CB 3.57Å; L49-A60 HydrophobicContact CD2-CB 3.77Å; L49-A60 HydrophobicContact CG-CB 3.92Å; K56-A60 VanDerWaalsContact O-CB 3.29Å; K56-A60 WeakPolarHBondContact O-CB 3.3Å; K56-A60 PolarHBondContact O-N 3.07Å; K57-A60 WeakPolarHBondContact O-CB 3.5Å; K57-A60 PolarHBondContact O-N 3.42Å; K58-A60 VanDerWaalsContact C-N 3.28Å; K58-A60 PolarHBondContact O-N 3.13Å; A60-K62 VanDerWaalsContact C-N 3.33Å; A60-K62 PolarHBondContact O-N 3.23Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.49Å; A60-V64 VanDerWaalsContact O-CG2 3.26Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.26Å |
| 61 | V | 84.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 111 | L49 K57 K58 K63 V64 I65 L92 L95 V96 | L49-V61 HydrophobicContact CD2-CB 4.46Å; L49-V61 HydrophobicContact CD2-CG2 3.46Å; L49-V61 VanDerWaalsContact CD2-CG2 3.46Å; K57-V61 WeakPolarHBondContact O-CG2 3.46Å; K57-V61 PolarHBondContact O-N 3.49Å; K58-V61 PolarHBondContact O-N 3.27Å; V61-K63 PolarHBondContact O-N 3.06Å; V61-V64 WeakPolarHBondContact O-CB 3.19Å; V61-V64 PolarHBondContact O-N 3.02Å; V61-I65 HydrophobicContact CG1-CD1 3.84Å; V61-I65 HydrophobicContact CG1-CG1 4.4Å; V61-I65 WeakPolarHBondContact O-CG1 3.32Å; V61-I65 PolarHBondContact O-N 2.62Å; V61-L92 HydrophobicContact CB-CD1 4.23Å; V61-L92 HydrophobicContact CG2-CD1 3.82Å; V61-L95 HydrophobicContact CB-CB 4.43Å; V61-L95 HydrophobicContact CG1-CB 3.6Å; V61-V96 HydrophobicContact CG1-CG2 4.38Å; V61-V96 HydrophobicContact CG2-CG2 4.25Å |
| 62 | K | 85.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 173.2 | -72.3 | 177.8 | 174.4 | -177.7 | 0 | 112.4 | D30 Y33 K58 E59 A60 V64 I65 A66 L95 | D30-K62 IonicContact OD1-NZ 3.4Å; D30-K62 WeakPolarHBondContact OD2-CD 3.44Å; D30-K62 IonicContact OD2-NZ 2.82Å; D30-K62 PolarHBondContact OD2-NZ 3.38Å; Y33-K62 HydrophobicContact CD2-CB 4.25Å; Y33-K62 HydrophobicContact CE2-CB 3.94Å; Y33-K62 HydrophobicContact CE2-CD 4.38Å; K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 3.28Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-K62 IonicContact OE1-NZ 3.47Å; E59-K62 PolarHBondContact OE1-NZ 2.92Å; E59-K62 IonicContact OE2-NZ 3.09Å; A60-K62 VanDerWaalsContact C-N 3.33Å; A60-K62 PolarHBondContact O-N 3.23Å; K62-V64 VanDerWaalsContact C-N 3.31Å; K62-V64 PolarHBondContact O-N 3.41Å; K62-I65 PolarHBondContact O-N 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.35Å; K62-A66 PolarHBondContact O-N 3.34Å; K62-L95 HydrophobicContact CG-CD1 3.69Å; K62-L95 HydrophobicContact CG-CD2 4.45Å |
| 63 | K | 84.3 | Confident | 80.1 | Confident | 49 Ų | 49 | 51 Ų | 51 | 21% | 0.213 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 174.4 | -73.2 | 168.3 | -176.9 | -179.8 | 0 | 112.3 | Y33 L45 E48 E59 A60 V61 A66 S67 | Y33-K63 HydrophobicContact CD1-CB 4.29Å; Y33-K63 HydrophobicContact CD1-CD 4.12Å; Y33-K63 HydrophobicContact CD1-CG 3.18Å; Y33-K63 HydrophobicContact CD2-CG 4.22Å; Y33-K63 HydrophobicContact CE1-CD 3.81Å; Y33-K63 HydrophobicContact CE1-CG 3.21Å; Y33-K63 HydrophobicContact CE2-CG 4.22Å; Y33-K63 HydrophobicContact CG-CB 4.46Å; Y33-K63 HydrophobicContact CG-CG 3.73Å; L45-K63 HydrophobicContact CD2-CB 3.43Å; L45-K63 VanDerWaalsContact CD2-CB 3.43Å; L45-K63 HydrophobicContact CD2-CD 3.62Å; L45-K63 HydrophobicContact CD2-CG 4.17Å; E48-K63 IonicContact OE1-NZ 3.79Å; E48-K63 PolarHBondContact OE1-NZ 2.99Å; E48-K63 IonicContact OE2-NZ 2.92Å; E48-K63 PolarHBondContact OE2-NZ 3.37Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.92Å; A60-K63 WeakPolarHBondContact O-CB 3.44Å; A60-K63 PolarHBondContact O-N 3.49Å; V61-K63 PolarHBondContact O-N 3.06Å; K63-A66 PolarHBondContact O-N 3.01Å; K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 2.98Å; K63-S67 PolarHBondContact O-OG 3.42Å |
| 64 | V | 83.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 175.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | L45 L49 A60 V61 K62 S67 M68 V74 L77 V81 Y99 | L45-V64 HydrophobicContact CB-CG2 4.34Å; L45-V64 HydrophobicContact CD1-CG2 4Å; L45-V64 HydrophobicContact CD2-CG2 4.29Å; L45-V64 HydrophobicContact CG-CG2 4.44Å; L49-V64 HydrophobicContact CD1-CG2 4.26Å; A60-V64 VanDerWaalsContact O-CG2 3.26Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.26Å; V61-V64 WeakPolarHBondContact O-CB 3.19Å; V61-V64 PolarHBondContact O-N 3.02Å; K62-V64 VanDerWaalsContact C-N 3.31Å; K62-V64 PolarHBondContact O-N 3.41Å; V64-S67 WeakPolarHBondContact O-CB 3.25Å; V64-S67 PolarHBondContact O-N 3.43Å; V64-M68 WeakPolarHBondContact O-CB 3.36Å; V64-M68 PolarHBondContact O-N 3.04Å; V64-V74 HydrophobicContact CG1-CB 4.07Å; V64-V74 HydrophobicContact CG1-CG2 3.74Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG2-CD1 3.57Å; V64-V81 HydrophobicContact CG1-CG2 4.4Å; V64-Y99 HydrophobicContact CG1-CD2 3.59Å; V64-Y99 HydrophobicContact CG1-CE2 3.42Å; V64-Y99 VanDerWaalsContact CG1-CE2 3.42Å |
| 65 | I | 80.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.2 | -68.2 | 161.5 | 0 | 0 | 0 | 111.6 | L19 V61 K62 M68 T69 L95 L98 | L19-I65 HydrophobicContact CD1-CG2 3.81Å; L19-I65 HydrophobicContact CD2-CG2 4.25Å; V61-I65 HydrophobicContact CG1-CD1 3.84Å; V61-I65 HydrophobicContact CG1-CG1 4.4Å; V61-I65 WeakPolarHBondContact O-CG1 3.32Å; V61-I65 PolarHBondContact O-N 2.62Å; K62-I65 PolarHBondContact O-N 3.3Å; I65-M68 HydrophobicContact CG2-CE 4.36Å; I65-M68 WeakPolarHBondContact O-CB 3.44Å; I65-M68 PolarHBondContact O-N 2.84Å; I65-T69 WeakPolarHBondContact O-CB 3.48Å; I65-T69 PolarHBondContact O-N 3.19Å; I65-T69 PolarHBondContact O-OG1 3.15Å; I65-L95 HydrophobicContact CD1-CB 3.68Å; I65-L95 HydrophobicContact CD1-CD2 3.55Å; I65-L95 HydrophobicContact CD1-CG 4.18Å; I65-L95 WeakPolarHBondContact CD1-O 3.39Å; I65-L98 HydrophobicContact CD1-CD2 4.16Å; I65-L98 HydrophobicContact CG2-CD2 4.02Å |
| 66 | A | 76.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y33 F34 K62 K63 M68 T69 V70 | Y33-A66 VanDerWaalsContact CB-CB 3.48Å; F34-A66 HydrophobicContact CD1-CB 4.35Å; F34-A66 HydrophobicContact CD2-CB 4.45Å; F34-A66 HydrophobicContact CE1-CB 3.98Å; F34-A66 HydrophobicContact CE2-CB 4.1Å; F34-A66 HydrophobicContact CZ-CB 3.84Å; K62-A66 WeakPolarHBondContact O-CB 3.35Å; K62-A66 PolarHBondContact O-N 3.34Å; K63-A66 PolarHBondContact O-N 3.01Å; A66-M68 VanDerWaalsContact C-N 3.34Å; A66-M68 PolarHBondContact O-N 2.95Å; A66-T69 PolarHBondContact O-N 3.33Å; A66-T69 VanDerWaalsContact O-N 3.13Å; A66-V70 WeakPolarHBondContact O-CG2 3.25Å; A66-V70 PolarHBondContact O-N 3.45Å |
| 67 | S | 77.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | K63 V64 T69 V70 G71 K72 | K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 2.98Å; K63-S67 PolarHBondContact O-OG 3.42Å; V64-S67 WeakPolarHBondContact O-CB 3.25Å; V64-S67 PolarHBondContact O-N 3.43Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 2.86Å; S67-V70 PolarHBondContact O-N 3.41Å; S67-G71 PolarHBondContact O-N 2.97Å; S67-K72 WeakPolarHBondContact O-CB 3.46Å; S67-K72 PolarHBondContact O-N 3.44Å |
| 68 | M | 79.7 | Confident | 79.2 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.4 | -176 | -174.7 | 78 | 0 | 0 | 111.7 | V64 I65 A66 V70 G71 V74 Y99 N102 Y103 | V64-M68 WeakPolarHBondContact O-CB 3.36Å; V64-M68 PolarHBondContact O-N 3.04Å; I65-M68 HydrophobicContact CG2-CE 4.36Å; I65-M68 WeakPolarHBondContact O-CB 3.44Å; I65-M68 PolarHBondContact O-N 2.84Å; A66-M68 VanDerWaalsContact C-N 3.34Å; A66-M68 PolarHBondContact O-N 2.95Å; M68-V70 VanDerWaalsContact C-N 3.31Å; M68-V70 PolarHBondContact O-N 2.88Å; M68-G71 PolarHBondContact O-N 3.44Å; M68-V74 HydrophobicContact CB-CG2 3.93Å; M68-V74 HydrophobicContact CG-CG2 4.48Å; M68-Y99 HydrophobicContact SD-CD2 4.26Å; M68-N102 HydrophobicContact CE-CB 4.08Å; M68-N102 WeakPolarHBondContact CG-ND2 3.23Å; M68-N102 HydrophobicContact SD-CB 3.77Å; M68-N102 PolarHBondContact SD-ND2 3.49Å; M68-Y103 HydrophobicContact CG-CE2 3.87Å; M68-Y103 HydrophobicContact SD-CD2 3.96Å; M68-Y103 HydrophobicContact SD-CE2 3.46Å; M68-Y103 WeakPolarHBondContact SD-CE2 3.32Å |
| 69 | T | 75.6 | Confident | 79 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.1 | -28.7 | 178.9 | -53 | 0 | 0 | 0 | 0 | 112.2 | F34 I65 A66 S67 G71 | F34-T69 HydrophobicContact CE1-CG2 4.37Å; I65-T69 WeakPolarHBondContact O-CB 3.48Å; I65-T69 PolarHBondContact O-N 3.19Å; I65-T69 PolarHBondContact O-OG1 3.15Å; A66-T69 PolarHBondContact O-N 3.33Å; A66-T69 VanDerWaalsContact O-N 3.13Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 2.86Å; T69-G71 PolarHBondContact O-N 2.88Å |
| 70 | V | 78 | Confident | 79 | Confident | 79 Ų | 79 | 30.9 Ų | 30.9 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.2 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 112 | F34 A66 S67 M68 | F34-V70 HydrophobicContact CD1-CG2 3.55Å; F34-V70 HydrophobicContact CE1-CG2 4.25Å; F34-V70 HydrophobicContact CG-CG2 4.48Å; A66-V70 WeakPolarHBondContact O-CG2 3.25Å; A66-V70 PolarHBondContact O-N 3.45Å; S67-V70 PolarHBondContact O-N 3.41Å; M68-V70 VanDerWaalsContact C-N 3.31Å; M68-V70 PolarHBondContact O-N 2.88Å |
| 71 | G | 72.4 | Confident | 78.8 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | 12.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S67 M68 T69 | S67-G71 PolarHBondContact O-N 2.97Å; M68-G71 PolarHBondContact O-N 3.44Å; T69-G71 PolarHBondContact O-N 2.88Å |
| 72 | K | 77.5 | Confident | 78.5 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | trans | -75.1 | 138.7 | 172 | -64 | 178.8 | -179.9 | 169 | 0 | 110.2 | T36 E41 S67 V74 | T36-K72 PolarHBondContact O-NZ 3.49Å; E41-K72 IonicContact OE1-NZ 2.68Å; E41-K72 IonicContact OE2-NZ 3.75Å; E41-K72 PolarHBondContact OE2-NZ 2.87Å; S67-K72 WeakPolarHBondContact O-CB 3.46Å; S67-K72 PolarHBondContact O-N 3.44Å; K72-V74 PolarHBondContact O-N 3.42Å | ||
| 73 | D | 74.4 | Confident | 78.2 | Confident | 106 Ų | 106 | 35.1 Ų | 35.1 | 57% | 0.567 | 22% | 0.218 | S | C | * | . | trans | -76.6 | 109.9 | 172.8 | -174 | 16.4 | 0 | 0 | 0 | 111.3 | S75 | D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 WeakPolarHBondContact OD1-CB 3.25Å; D73-S75 PolarHBondContact OD1-N 3.01Å; D73-S75 PolarHBondContact OD1-OG 2.93Å; D73-S75 PolarHBondContact OD2-OG 3.41Å | ||
| 74 | V | 76.2 | Confident | 78 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | trans | -109.7 | 22.1 | 174.3 | -67.9 | 0 | 0 | 0 | 0 | 112 | V64 M68 K72 A76 L77 Y99 Y103 | V64-V74 HydrophobicContact CG1-CB 4.07Å; V64-V74 HydrophobicContact CG1-CG2 3.74Å; M68-V74 HydrophobicContact CB-CG2 3.93Å; M68-V74 HydrophobicContact CG-CG2 4.48Å; K72-V74 PolarHBondContact O-N 3.42Å; V74-A76 PolarHBondContact O-N 2.89Å; V74-L77 HydrophobicContact CB-CD1 4.28Å; V74-L77 HydrophobicContact CG1-CD1 4.45Å; V74-L77 WeakPolarHBondContact O-CB 3.08Å; V74-L77 PolarHBondContact O-N 3.35Å; V74-L77 VanDerWaalsContact O-N 3.13Å; V74-Y99 HydrophobicContact CG2-CE2 3.87Å; V74-Y99 PolarHBondContact O-OH 3.27Å; V74-Y103 HydrophobicContact CG2-CE2 3.74Å; V74-Y103 WeakPolarHBondContact CG2-OH 3.47Å; V74-Y103 PolarHBondContact N-OH 3.15Å | ||
| 75 | S | 73.1 | Confident | 77.6 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.2 | -31.6 | 177.1 | 62 | 0 | 0 | 0 | 0 | 113.3 | D73 L77 F78 | D73-S75 VanDerWaalsContact CG-OG 3.25Å; D73-S75 WeakPolarHBondContact OD1-CB 3.25Å; D73-S75 PolarHBondContact OD1-N 3.01Å; D73-S75 PolarHBondContact OD1-OG 2.93Å; D73-S75 PolarHBondContact OD2-OG 3.41Å; S75-L77 PolarHBondContact O-N 2.87Å; S75-L77 VanDerWaalsContact O-N 3.14Å; S75-F78 WeakPolarHBondContact O-CB 3.32Å; S75-F78 PolarHBondContact O-N 3.23Å; S75-F78 VanDerWaalsContact O-N 3.07Å |
| 76 | A | 78.5 | Confident | 77.6 | Confident | 61 Ų | 61 | 40.1 Ų | 40.1 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -63.4 | -18.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | I42 V74 | I42-A76 HydrophobicContact CG2-CB 4.31Å; V74-A76 PolarHBondContact O-N 2.89Å |
| 77 | L | 80 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -89.4 | -2 | 178.1 | -61.6 | 177.6 | 0 | 0 | 0 | 113.1 | I42 L45 K46 L49 V64 V74 S75 D80 V81 | I42-L77 HydrophobicContact CG2-CD1 4.49Å; I42-L77 HydrophobicContact CG2-CD2 3.75Å; I42-L77 HydrophobicContact CG2-CG 3.99Å; I42-L77 WeakPolarHBondContact O-CD2 3.44Å; L45-L77 HydrophobicContact CB-CD1 3.73Å; L45-L77 HydrophobicContact CD1-CD1 4.01Å; K46-L77 HydrophobicContact CB-CD2 3.71Å; K46-L77 HydrophobicContact CG-CD2 4.48Å; L49-L77 HydrophobicContact CD1-CB 4.11Å; L49-L77 HydrophobicContact CD1-CD1 4.28Å; L49-L77 HydrophobicContact CD1-CD2 4.22Å; L49-L77 HydrophobicContact CD1-CG 4.45Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG2-CD1 3.57Å; V74-L77 HydrophobicContact CB-CD1 4.28Å; V74-L77 HydrophobicContact CG1-CD1 4.45Å; V74-L77 WeakPolarHBondContact O-CB 3.08Å; V74-L77 PolarHBondContact O-N 3.35Å; V74-L77 VanDerWaalsContact O-N 3.13Å; S75-L77 PolarHBondContact O-N 2.87Å; S75-L77 VanDerWaalsContact O-N 3.14Å; L77-D80 WeakPolarHBondContact O-CB 3.4Å; L77-D80 PolarHBondContact O-N 3.32Å; L77-V81 HydrophobicContact CB-CG2 4.24Å; L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 2.8Å |
| 78 | F | 76.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.1 | -46.6 | -172.6 | -170.8 | -84.2 | 0 | 0 | 0 | 113.7 | S75 D80 V81 I82 Y99 L100 Y103 T110 | S75-F78 WeakPolarHBondContact O-CB 3.32Å; S75-F78 PolarHBondContact O-N 3.23Å; S75-F78 VanDerWaalsContact O-N 3.07Å; F78-D80 VanDerWaalsContact C-N 3.31Å; F78-D80 PolarHBondContact O-N 3.39Å; F78-V81 PolarHBondContact O-N 2.77Å; F78-I82 HydrophobicContact CD1-CD1 3.74Å; F78-I82 HydrophobicContact CD1-CG1 4.24Å; F78-I82 HydrophobicContact CE1-CD1 3.12Å; F78-I82 HydrophobicContact CE1-CG1 3.96Å; F78-I82 HydrophobicContact CZ-CD1 3.74Å; F78-I82 HydrophobicContact CZ-CG1 4.42Å; F78-I82 PolarHBondContact O-N 3.35Å; F78-Y99 WeakPolarHBondContact CA-OH 3.39Å; F78-Y99 HydrophobicContact CB-CE1 4.27Å; F78-Y99 HydrophobicContact CD2-CD1 4.48Å; F78-Y99 AromaticContact CD2-CE1 3.56Å; F78-Y99 HydrophobicContact CD2-CE1 3.56Å; F78-Y99 HydrophobicContact CE2-CE1 4.27Å; F78-Y99 HydrophobicContact CG-CE1 4.19Å; F78-Y99 PolarHBondContact N-OH 3.34Å; F78-L100 HydrophobicContact CE1-CD2 4.41Å; F78-L100 HydrophobicContact CE2-CD2 3.69Å; F78-L100 HydrophobicContact CZ-CD2 3.59Å; F78-Y103 HydrophobicContact CD2-CG 4.38Å; F78-T110 WeakPolarHBondContact CE1-OG1 3.47Å; F78-T110 WeakPolarHBondContact CZ-OG1 3.41Å |
| 79 | P | 76.5 | Confident | 77.4 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 176.9 | -21.3 | 34.1 | 0 | 0 | 0 | 112.9 | I82 N83 | P79-I82 PolarHBondContact O-N 3.39Å; P79-N83 PolarHBondContact O-N 3.23Å; P79-N83 VanDerWaalsContact O-N 3.1Å |
| 80 | D | 82.9 | Confident | 77.6 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.1 | -37.2 | -178.3 | -57.8 | -73.8 | 0 | 0 | 0 | 111.3 | K46 L49 N50 L77 F78 N83 C84 | K46-D80 WeakPolarHBondContact CD-OD2 3.5Å; K46-D80 WeakPolarHBondContact CE-OD1 3.47Å; K46-D80 WeakPolarHBondContact CE-OD2 3.45Å; K46-D80 WeakPolarHBondContact CG-OD2 3.4Å; K46-D80 IonicContact NZ-OD2 2.77Å; K46-D80 PolarHBondContact NZ-OD2 3.13Å; L49-D80 HydrophobicContact CB-CB 4.16Å; L49-D80 HydrophobicContact CD1-CB 3.89Å; N50-D80 PolarHBondContact ND2-OD1 3.41Å; L77-D80 WeakPolarHBondContact O-CB 3.4Å; L77-D80 PolarHBondContact O-N 3.32Å; F78-D80 VanDerWaalsContact C-N 3.31Å; F78-D80 PolarHBondContact O-N 3.39Å; D80-N83 PolarHBondContact O-N 2.98Å; D80-C84 PolarHBondContact O-N 2.65Å; D80-C84 PolarHBondContact O-SG 3.47Å |
| 81 | V | 82.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | L49 V64 L77 F78 N83 C84 V96 Y99 | L49-V81 HydrophobicContact CD1-CG2 3.76Å; L49-V81 HydrophobicContact CD2-CG2 4.18Å; V64-V81 HydrophobicContact CG1-CG2 4.4Å; L77-V81 HydrophobicContact CB-CG2 4.24Å; L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 2.8Å; F78-V81 PolarHBondContact O-N 2.77Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.23Å; V81-C84 WeakPolarHBondContact O-CA 3.36Å; V81-C84 VanDerWaalsContact O-CB 3.29Å; V81-C84 WeakPolarHBondContact O-CB 3.38Å; V81-C84 PolarHBondContact O-N 3.38Å; V81-V96 HydrophobicContact CG1-CB 4.46Å; V81-V96 HydrophobicContact CG1-CG1 4.04Å; V81-V96 HydrophobicContact CG1-CG2 4.23Å; V81-Y99 HydrophobicContact CB-CD1 3.94Å; V81-Y99 HydrophobicContact CB-CE1 3.84Å; V81-Y99 HydrophobicContact CG1-CD1 3.44Å; V81-Y99 VanDerWaalsContact CG1-CD1 3.44Å; V81-Y99 HydrophobicContact CG1-CD2 4.5Å; V81-Y99 HydrophobicContact CG1-CE1 3.9Å; V81-Y99 HydrophobicContact CG1-CG 3.78Å; V81-Y99 HydrophobicContact CG2-CD1 4.33Å; V81-Y99 HydrophobicContact CG2-CE1 4.09Å; V81-Y99 HydrophobicContact CG2-CE2 4.28Å |
| 82 | I | 76.6 | Confident | 78.3 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 173.9 | -80.3 | -171.2 | 0 | 0 | 0 | 111.5 | F78 P79 C84 M85 L100 A114 | F78-I82 HydrophobicContact CD1-CD1 3.74Å; F78-I82 HydrophobicContact CD1-CG1 4.24Å; F78-I82 HydrophobicContact CE1-CD1 3.12Å; F78-I82 HydrophobicContact CE1-CG1 3.96Å; F78-I82 HydrophobicContact CZ-CD1 3.74Å; F78-I82 HydrophobicContact CZ-CG1 4.42Å; F78-I82 PolarHBondContact O-N 3.35Å; P79-I82 PolarHBondContact O-N 3.39Å; I82-C84 PolarHBondContact O-N 3.28Å; I82-C84 VanDerWaalsContact O-N 3.15Å; I82-M85 HydrophobicContact CG2-CE 4.35Å; I82-M85 WeakPolarHBondContact O-CB 3.37Å; I82-M85 PolarHBondContact O-N 2.66Å; I82-L100 HydrophobicContact CD1-CD2 4.06Å; I82-L100 HydrophobicContact CG1-CD2 3.81Å; I82-A114 HydrophobicContact CD1-CB 4.32Å |
| 83 | N | 79.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -23.1 | 176.9 | -166 | 29.6 | 0 | 0 | 0 | 112.4 | P79 D80 V81 M85 | P79-N83 PolarHBondContact O-N 3.23Å; P79-N83 VanDerWaalsContact O-N 3.1Å; D80-N83 PolarHBondContact O-N 2.98Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.23Å; N83-M85 VanDerWaalsContact C-N 3.32Å |
| 84 | C | 80.2 | Confident | 79.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.3 | 174 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | L49 D80 V81 I82 Q86 T87 V96 | L49-C84 PolarHBondContact O-SG 2.67Å; L49-C84 VanDerWaalsContact O-SG 3.4Å; D80-C84 PolarHBondContact O-N 2.65Å; D80-C84 PolarHBondContact O-SG 3.47Å; V81-C84 WeakPolarHBondContact O-CA 3.36Å; V81-C84 VanDerWaalsContact O-CB 3.29Å; V81-C84 WeakPolarHBondContact O-CB 3.38Å; V81-C84 PolarHBondContact O-N 3.38Å; I82-C84 PolarHBondContact O-N 3.28Å; I82-C84 VanDerWaalsContact O-N 3.15Å; C84-Q86 VanDerWaalsContact C-N 3.31Å; C84-Q86 PolarHBondContact O-N 2.7Å; C84-T87 WeakPolarHBondContact O-CG2 3.46Å; C84-V96 HydrophobicContact CB-CG2 3.94Å |
| 85 | M | 76.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -68.8 | -29.6 | -178.9 | -166.7 | 172.2 | 45.3 | 0 | 0 | 113 | I82 N83 T87 K93 V96 Y97 L100 A114 T117 F118 | I82-M85 HydrophobicContact CG2-CE 4.35Å; I82-M85 WeakPolarHBondContact O-CB 3.37Å; I82-M85 PolarHBondContact O-N 2.66Å; N83-M85 VanDerWaalsContact C-N 3.32Å; M85-T87 PolarHBondContact O-N 2.73Å; M85-K93 PolarHBondContact O-NZ 2.95Å; M85-V96 HydrophobicContact CB-CG1 3.7Å; M85-V96 HydrophobicContact CG-CG1 3.98Å; M85-Y97 HydrophobicContact CG-CD1 4.22Å; M85-Y97 HydrophobicContact CG-CE1 3.72Å; M85-Y97 HydrophobicContact SD-CD1 4.22Å; M85-Y97 HydrophobicContact SD-CE1 3.78Å; M85-L100 HydrophobicContact SD-CD1 3.56Å; M85-L100 VanDerWaalsContact SD-CD1 3.56Å; M85-A114 HydrophobicContact CE-CB 3.67Å; M85-A114 HydrophobicContact SD-CB 4.18Å; M85-T117 HydrophobicContact CE-CG2 3.67Å; M85-T117 WeakPolarHBondContact CE-OG1 3.46Å; M85-T117 HydrophobicContact CG-CG2 3.87Å; M85-T117 HydrophobicContact SD-CG2 4.01Å; M85-F118 HydrophobicContact SD-CE1 4.41Å; M85-F118 HydrophobicContact SD-CZ 4.35Å |
| 86 | Q | 78.9 | Confident | 80 | Confident | 151 Ų | 151 | 41.7 Ų | 41.7 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -77 | 67.4 | 176.5 | -63.3 | -172.3 | 3 | 0 | 0 | 110.5 | C84 | C84-Q86 VanDerWaalsContact C-N 3.31Å; C84-Q86 PolarHBondContact O-N 2.7Å |
| 87 | T | 77.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | trans | -140 | 145.6 | -179.7 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | C84 M85 N89 L92 K93 | C84-T87 WeakPolarHBondContact O-CG2 3.46Å; M85-T87 PolarHBondContact O-N 2.73Å; T87-N89 VanDerWaalsContact C-N 3.27Å; T87-N89 PolarHBondContact OG1-N 3.29Å; T87-L92 HydrophobicContact CG2-CB 4.04Å; T87-L92 HydrophobicContact CG2-CD2 3.92Å; T87-L92 HydrophobicContact CG2-CG 3.92Å; T87-K93 HydrophobicContact CG2-CB 4.31Å; T87-K93 WeakPolarHBondContact O-CE 3.46Å; T87-K93 PolarHBondContact O-NZ 2.82Å | ||
| 88 | D | 73.6 | Confident | 80.5 | Confident | 126 Ų | 126 | 39.9 Ų | 39.9 | 67% | 0.674 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -85 | -5.5 | 174.9 | -41.2 | -45.2 | 0 | 0 | 0 | 111.7 | L90 | D88-L90 PolarHBondContact O-N 2.89Š|
| 89 | N | 80.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | trans | -78.2 | 113 | 179.1 | -175.8 | -64.5 | 0 | 0 | 0 | 110.5 | T87 E91 L92 K93 | T87-N89 VanDerWaalsContact C-N 3.27Å; T87-N89 PolarHBondContact OG1-N 3.29Å; N89-E91 VanDerWaalsContact C-N 3.33Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 WeakPolarHBondContact OD1-CA 3.48Å; N89-E91 WeakPolarHBondContact OD1-CB 3.3Å; N89-E91 PolarHBondContact OD1-N 2.96Å; N89-L92 HydrophobicContact CB-CB 4.13Å; N89-L92 PolarHBondContact O-N 2.98Å; N89-L92 PolarHBondContact OD1-N 3.06Å; N89-K93 WeakPolarHBondContact O-CB 3.48Å; N89-K93 PolarHBondContact O-N 3.44Å | ||
| 90 | L | 79.6 | Confident | 81 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | -177.5 | -175 | 67.6 | 0 | 0 | 0 | 113.3 | D88 K94 L128 I129 L132 | D88-L90 PolarHBondContact O-N 2.89Å; L90-K94 HydrophobicContact CG-CD 4.46Å; L90-K94 WeakPolarHBondContact O-CB 3.3Å; L90-K94 VanDerWaalsContact O-CG 3.26Å; L90-K94 WeakPolarHBondContact O-CG 3.48Å; L90-K94 PolarHBondContact O-N 2.97Å; L90-L128 HydrophobicContact CD1-CB 4.29Å; L90-L128 HydrophobicContact CD2-CB 4.25Å; L90-L128 HydrophobicContact CD2-CD1 3.9Å; L90-I129 HydrophobicContact CD1-CG1 3.75Å; L90-L132 HydrophobicContact CD1-CD2 4.22Å |
| 91 | E | 81.6 | Confident | 80.9 | Confident | 85 Ų | 85 | 36.7 Ų | 36.7 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.7 | -49.6 | 179.7 | -170.3 | -171.5 | 170.2 | 0 | 0 | 110.9 | K58 N89 K93 K94 L95 | K58-E91 HydrophobicContact CD-CG 4.45Å; K58-E91 IonicContact NZ-OE2 3.13Å; N89-E91 VanDerWaalsContact C-N 3.33Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 WeakPolarHBondContact OD1-CA 3.48Å; N89-E91 WeakPolarHBondContact OD1-CB 3.3Å; N89-E91 PolarHBondContact OD1-N 2.96Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.11Å; E91-K94 WeakPolarHBondContact O-CB 3.21Å; E91-K94 PolarHBondContact O-N 3.45Å; E91-L95 WeakPolarHBondContact O-CG 3.35Å; E91-L95 PolarHBondContact O-N 3.43Å; E91-L95 VanDerWaalsContact O-N 3.11Å |
| 92 | L | 82 | Confident | 80.6 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.9 | -178.3 | 55.8 | 0 | 0 | 0 | 111.1 | K57 K58 V61 T87 N89 K94 L95 V96 | K57-L92 HydrophobicContact CB-CD2 4.25Å; K58-L92 HydrophobicContact CB-CD1 4.39Å; V61-L92 HydrophobicContact CB-CD1 4.23Å; V61-L92 HydrophobicContact CG2-CD1 3.82Å; T87-L92 HydrophobicContact CG2-CB 4.04Å; T87-L92 HydrophobicContact CG2-CD2 3.92Å; T87-L92 HydrophobicContact CG2-CG 3.92Å; N89-L92 HydrophobicContact CB-CB 4.13Å; N89-L92 PolarHBondContact O-N 2.98Å; N89-L92 PolarHBondContact OD1-N 3.06Å; L92-K94 PolarHBondContact O-N 3.28Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-V96 HydrophobicContact CD1-CG2 4.27Å; L92-V96 HydrophobicContact CG-CG2 4.5Å; L92-V96 WeakPolarHBondContact O-CG2 3.28Å; L92-V96 PolarHBondContact O-N 3.41Å |
| 93 | K | 84.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.5 | -165.8 | -179.5 | -75.1 | -79.6 | 0 | 111.6 | M85 T87 N89 E91 L95 V96 Y97 D121 I129 | M85-K93 PolarHBondContact O-NZ 2.95Å; T87-K93 HydrophobicContact CG2-CB 4.31Å; T87-K93 WeakPolarHBondContact O-CE 3.46Å; T87-K93 PolarHBondContact O-NZ 2.82Å; N89-K93 WeakPolarHBondContact O-CB 3.48Å; N89-K93 PolarHBondContact O-N 3.44Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.11Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.12Å; K93-V96 PolarHBondContact O-N 3.1Å; K93-Y97 HydrophobicContact CD-CE1 4.15Å; K93-Y97 HydrophobicContact CD-CE2 4.34Å; K93-Y97 HydrophobicContact CG-CD1 4.02Å; K93-Y97 HydrophobicContact CG-CE1 3.56Å; K93-Y97 HydrophobicContact CG-CE2 4.18Å; K93-Y97 WeakPolarHBondContact O-CB 3.45Å; K93-Y97 WeakPolarHBondContact O-CD1 3.17Å; K93-Y97 VanDerWaalsContact O-CG 3.29Å; K93-Y97 PolarHBondContact O-N 2.93Å; K93-D121 IonicContact NZ-OD1 3.92Å; K93-D121 PolarHBondContact NZ-OD1 2.91Å; K93-D121 IonicContact NZ-OD2 3.33Å; K93-D121 PolarHBondContact NZ-OD2 3.18Å; K93-I129 HydrophobicContact CD-CG2 3.97Å |
| 94 | K | 83.9 | Confident | 80.3 | Confident | 103 Ų | 103 | 36 Ų | 36 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.8 | -44 | 173.8 | -76.8 | 171.4 | 179.3 | 178.3 | 0 | 112.3 | L90 E91 L92 L98 L132 | L90-K94 HydrophobicContact CG-CD 4.46Å; L90-K94 WeakPolarHBondContact O-CB 3.3Å; L90-K94 VanDerWaalsContact O-CG 3.26Å; L90-K94 WeakPolarHBondContact O-CG 3.48Å; L90-K94 PolarHBondContact O-N 2.97Å; E91-K94 WeakPolarHBondContact O-CB 3.21Å; E91-K94 PolarHBondContact O-N 3.45Å; L92-K94 PolarHBondContact O-N 3.28Å; K94-L98 WeakPolarHBondContact O-CB 2.99Å; K94-L98 PolarHBondContact O-N 2.91Å; K94-L132 HydrophobicContact CB-CD2 4.43Å; K94-L132 HydrophobicContact CG-CD1 4.28Å; K94-L132 HydrophobicContact CG-CD2 3.54Å |
| 95 | L | 84.1 | Confident | 79.9 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 179.1 | -65.9 | 172.1 | 0 | 0 | 0 | 111.6 | K58 V61 K62 I65 E91 L92 K93 Y97 L98 Y99 | K58-L95 HydrophobicContact CG-CD1 4.14Å; V61-L95 HydrophobicContact CB-CB 4.43Å; V61-L95 HydrophobicContact CG1-CB 3.6Å; K62-L95 HydrophobicContact CG-CD1 3.69Å; K62-L95 HydrophobicContact CG-CD2 4.45Å; I65-L95 HydrophobicContact CD1-CB 3.68Å; I65-L95 HydrophobicContact CD1-CD2 3.55Å; I65-L95 HydrophobicContact CD1-CG 4.18Å; I65-L95 WeakPolarHBondContact CD1-O 3.39Å; E91-L95 WeakPolarHBondContact O-CG 3.35Å; E91-L95 PolarHBondContact O-N 3.43Å; E91-L95 VanDerWaalsContact O-N 3.11Å; L92-L95 PolarHBondContact O-N 3.41Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-Y97 VanDerWaalsContact C-N 3.35Å; L95-Y97 PolarHBondContact O-N 3.41Å; L95-L98 WeakPolarHBondContact O-CB 3.41Å; L95-L98 PolarHBondContact O-N 3.31Å; L95-Y99 PolarHBondContact O-N 2.96Å |
| 96 | V | 84.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | V61 V81 C84 M85 L92 K93 L98 Y99 L100 | V61-V96 HydrophobicContact CG1-CG2 4.38Å; V61-V96 HydrophobicContact CG2-CG2 4.25Å; V81-V96 HydrophobicContact CG1-CB 4.46Å; V81-V96 HydrophobicContact CG1-CG1 4.04Å; V81-V96 HydrophobicContact CG1-CG2 4.23Å; C84-V96 HydrophobicContact CB-CG2 3.94Å; M85-V96 HydrophobicContact CB-CG1 3.7Å; M85-V96 HydrophobicContact CG-CG1 3.98Å; L92-V96 HydrophobicContact CD1-CG2 4.27Å; L92-V96 HydrophobicContact CG-CG2 4.5Å; L92-V96 WeakPolarHBondContact O-CG2 3.28Å; L92-V96 PolarHBondContact O-N 3.41Å; K93-V96 PolarHBondContact O-N 3.1Å; V96-L98 VanDerWaalsContact C-N 3.34Å; V96-L98 PolarHBondContact O-N 3.15Å; V96-Y99 WeakPolarHBondContact O-CB 3.5Å; V96-Y99 PolarHBondContact O-N 3.49Å; V96-L100 HydrophobicContact CG1-CD1 4.24Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.43Å |
| 97 | Y | 85.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.2 | -77.1 | 15.6 | 0 | 0 | 0 | 112.7 | M85 K93 L95 Y99 L100 M101 F118 D121 L132 A133 T136 | M85-Y97 HydrophobicContact CG-CD1 4.22Å; M85-Y97 HydrophobicContact CG-CE1 3.72Å; M85-Y97 HydrophobicContact SD-CD1 4.22Å; M85-Y97 HydrophobicContact SD-CE1 3.78Å; K93-Y97 HydrophobicContact CD-CE1 4.15Å; K93-Y97 HydrophobicContact CD-CE2 4.34Å; K93-Y97 HydrophobicContact CG-CD1 4.02Å; K93-Y97 HydrophobicContact CG-CE1 3.56Å; K93-Y97 HydrophobicContact CG-CE2 4.18Å; K93-Y97 WeakPolarHBondContact O-CB 3.45Å; K93-Y97 WeakPolarHBondContact O-CD1 3.17Å; K93-Y97 VanDerWaalsContact O-CG 3.29Å; K93-Y97 PolarHBondContact O-N 2.93Å; L95-Y97 VanDerWaalsContact C-N 3.35Å; L95-Y97 PolarHBondContact O-N 3.41Å; Y97-Y99 VanDerWaalsContact C-N 3.34Å; Y97-L100 PolarHBondContact O-N 2.98Å; Y97-M101 WeakPolarHBondContact O-CG 3.34Å; Y97-M101 PolarHBondContact O-N 3.38Å; Y97-F118 AromaticContact CD1-CE1 3.62Å; Y97-F118 HydrophobicContact CD1-CE1 3.62Å; Y97-F118 HydrophobicContact CD1-CZ 4.27Å; Y97-F118 AromaticContact CD2-CE1 3.96Å; Y97-F118 HydrophobicContact CD2-CE1 3.96Å; Y97-F118 AromaticContact CE1-CD1 3.87Å; Y97-F118 HydrophobicContact CE1-CD1 3.87Å; Y97-F118 AromaticContact CE1-CE1 3.36Å; Y97-F118 HydrophobicContact CE1-CE1 3.36Å; Y97-F118 HydrophobicContact CE1-CZ 4.29Å; Y97-F118 HydrophobicContact CE2-CD1 4.01Å; Y97-F118 AromaticContact CE2-CE1 3.74Å; Y97-F118 HydrophobicContact CE2-CE1 3.74Å; Y97-F118 AromaticContact CG-CE1 3.91Å; Y97-F118 HydrophobicContact CG-CE1 3.91Å; Y97-F118 AromaticContact CZ-CD1 3.56Å; Y97-F118 AromaticContact CZ-CE1 3.41Å; Y97-F118 VanDerWaalsContact CZ-CE1 3.41Å; Y97-D121 WeakPolarHBondContact OH-CB 3.37Å; Y97-D121 PolarHBondContact OH-OD2 2.82Å; Y97-L132 HydrophobicContact CD2-CD1 4.13Å; Y97-L132 HydrophobicContact CD2-CD2 3.85Å; Y97-L132 HydrophobicContact CD2-CG 3.54Å; Y97-L132 HydrophobicContact CE2-CB 4.44Å; Y97-L132 HydrophobicContact CE2-CD2 3.99Å; Y97-L132 HydrophobicContact CE2-CG 3.7Å; Y97-A133 HydrophobicContact CE2-CB 4.34Å; Y97-T136 HydrophobicContact CD2-CG2 3.94Å; Y97-T136 WeakPolarHBondContact CD2-OG1 3.46Å; Y97-T136 HydrophobicContact CG-CG2 4Å |
| 98 | L | 83 | Confident | 79.3 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 173.5 | -178.5 | 67.1 | 0 | 0 | 0 | 111.8 | L15 W18 I65 K94 L95 V96 L100 M101 N102 | L15-L98 HydrophobicContact CD1-CD1 3.92Å; L15-L98 HydrophobicContact CD2-CD1 4.32Å; L15-L98 HydrophobicContact CD2-CD2 3.55Å; L15-L98 HydrophobicContact CD2-CG 4.44Å; L15-L98 HydrophobicContact CG-CD1 4.41Å; L15-L98 HydrophobicContact CG-CD2 4.49Å; W18-L98 HydrophobicContact CZ3-CD2 4.28Å; I65-L98 HydrophobicContact CD1-CD2 4.16Å; I65-L98 HydrophobicContact CG2-CD2 4.02Å; K94-L98 WeakPolarHBondContact O-CB 2.99Å; K94-L98 PolarHBondContact O-N 2.91Å; L95-L98 WeakPolarHBondContact O-CB 3.41Å; L95-L98 PolarHBondContact O-N 3.31Å; V96-L98 VanDerWaalsContact C-N 3.34Å; V96-L98 PolarHBondContact O-N 3.15Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-M101 HydrophobicContact CB-CE 4.45Å; L98-M101 HydrophobicContact CD1-CE 3.96Å; L98-M101 PolarHBondContact O-N 2.94Å; L98-N102 PolarHBondContact O-N 3.18Å |
| 99 | Y | 83.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.1 | 176 | -89.1 | 0 | 0 | 0 | 111.4 | V64 M68 V74 F78 V81 L95 V96 Y97 M101 N102 Y103 | V64-Y99 HydrophobicContact CG1-CD2 3.59Å; V64-Y99 HydrophobicContact CG1-CE2 3.42Å; V64-Y99 VanDerWaalsContact CG1-CE2 3.42Å; M68-Y99 HydrophobicContact SD-CD2 4.26Å; V74-Y99 HydrophobicContact CG2-CE2 3.87Å; V74-Y99 PolarHBondContact O-OH 3.27Å; F78-Y99 WeakPolarHBondContact CA-OH 3.39Å; F78-Y99 HydrophobicContact CB-CE1 4.27Å; F78-Y99 HydrophobicContact CD2-CD1 4.48Å; F78-Y99 AromaticContact CD2-CE1 3.56Å; F78-Y99 HydrophobicContact CD2-CE1 3.56Å; F78-Y99 HydrophobicContact CE2-CE1 4.27Å; F78-Y99 HydrophobicContact CG-CE1 4.19Å; F78-Y99 PolarHBondContact N-OH 3.34Å; V81-Y99 HydrophobicContact CB-CD1 3.94Å; V81-Y99 HydrophobicContact CB-CE1 3.84Å; V81-Y99 HydrophobicContact CG1-CD1 3.44Å; V81-Y99 VanDerWaalsContact CG1-CD1 3.44Å; V81-Y99 HydrophobicContact CG1-CD2 4.5Å; V81-Y99 HydrophobicContact CG1-CE1 3.9Å; V81-Y99 HydrophobicContact CG1-CG 3.78Å; V81-Y99 HydrophobicContact CG2-CD1 4.33Å; V81-Y99 HydrophobicContact CG2-CE1 4.09Å; V81-Y99 HydrophobicContact CG2-CE2 4.28Å; L95-Y99 PolarHBondContact O-N 2.96Å; V96-Y99 WeakPolarHBondContact O-CB 3.5Å; V96-Y99 PolarHBondContact O-N 3.49Å; Y97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-M101 PolarHBondContact O-N 3.27Å; Y99-N102 PolarHBondContact O-N 3.06Å; Y99-Y103 HydrophobicContact CD1-CD2 4.17Å; Y99-Y103 AromaticContact CD2-CD2 3.73Å; Y99-Y103 HydrophobicContact CD2-CD2 3.73Å; Y99-Y103 AromaticContact CD2-CE2 3.79Å; Y99-Y103 HydrophobicContact CD2-CE2 3.79Å; Y99-Y103 AromaticContact CE1-CD2 3.87Å; Y99-Y103 HydrophobicContact CE1-CD2 3.87Å; Y99-Y103 HydrophobicContact CE1-CG 4.37Å; Y99-Y103 AromaticContact CE2-CD2 3.4Å; Y99-Y103 HydrophobicContact CE2-CD2 3.4Å; Y99-Y103 VanDerWaalsContact CE2-CD2 3.4Å; Y99-Y103 AromaticContact CE2-CE2 3.29Å; Y99-Y103 HydrophobicContact CE2-CE2 3.29Å; Y99-Y103 HydrophobicContact CE2-CG 4.46Å; Y99-Y103 HydrophobicContact CG-CD2 4.11Å; Y99-Y103 AromaticContact CZ-CD2 3.46Å; Y99-Y103 VanDerWaalsContact CZ-CD2 3.46Å; Y99-Y103 AromaticContact CZ-CE2 3.73Å; Y99-Y103 PolarHBondContact O-N 3.25Å; Y99-Y103 VanDerWaalsContact O-N 3.13Å |
| 100 | L | 81.9 | Confident | 79 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 178.6 | -73 | 174.2 | 0 | 0 | 0 | 112.7 | F78 I82 M85 V96 Y97 L98 N102 Y103 A104 A114 F118 | F78-L100 HydrophobicContact CE1-CD2 4.41Å; F78-L100 HydrophobicContact CE2-CD2 3.69Å; F78-L100 HydrophobicContact CZ-CD2 3.59Å; I82-L100 HydrophobicContact CD1-CD2 4.06Å; I82-L100 HydrophobicContact CG1-CD2 3.81Å; M85-L100 HydrophobicContact SD-CD1 3.56Å; M85-L100 VanDerWaalsContact SD-CD1 3.56Å; V96-L100 HydrophobicContact CG1-CD1 4.24Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.43Å; Y97-L100 PolarHBondContact O-N 2.98Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.2Å; L100-Y103 PolarHBondContact O-N 3.17Å; L100-A104 WeakPolarHBondContact O-CB 3.18Å; L100-A104 PolarHBondContact O-N 2.82Å; L100-A114 HydrophobicContact CD1-CB 4Å; L100-F118 HydrophobicContact CD1-CE2 4.29Å; L100-F118 HydrophobicContact CD1-CZ 3.74Å |
| 101 | M | 79.1 | Confident | 78.6 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 18% | 0.177 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -33.1 | 178 | -74.4 | -174.6 | -68.3 | 0 | 0 | 112.8 | Y97 L98 Y99 T136 C139 | Y97-M101 WeakPolarHBondContact O-CG 3.34Å; Y97-M101 PolarHBondContact O-N 3.38Å; L98-M101 HydrophobicContact CB-CE 4.45Å; L98-M101 HydrophobicContact CD1-CE 3.96Å; L98-M101 PolarHBondContact O-N 2.94Å; Y99-M101 PolarHBondContact O-N 3.27Å; M101-T136 HydrophobicContact CG-CG2 3.79Å; M101-T136 HydrophobicContact SD-CG2 4.23Å; M101-C139 HydrophobicContact CG-CB 4.04Å; M101-C139 HydrophobicContact SD-CB 3.46Å; M101-C139 WeakPolarHBondContact SD-CB 3.47Å |
| 102 | N | 77.4 | Confident | 78.2 | Confident | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -81.4 | -41 | 179.9 | -159.1 | 19.1 | 0 | 0 | 0 | 112.7 | M68 L98 Y99 L100 | M68-N102 HydrophobicContact CE-CB 4.08Å; M68-N102 WeakPolarHBondContact CG-ND2 3.23Å; M68-N102 HydrophobicContact SD-CB 3.77Å; M68-N102 PolarHBondContact SD-ND2 3.49Å; L98-N102 PolarHBondContact O-N 3.18Å; Y99-N102 PolarHBondContact O-N 3.06Å; L100-N102 PolarHBondContact O-N 3.2Å |
| 103 | Y | 76.3 | Confident | 77.7 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -87.5 | -16.9 | -176.5 | -79.8 | -76.3 | 0 | 0 | 0 | 114.7 | M68 V74 F78 Y99 L100 K105 T106 Q107 | M68-Y103 HydrophobicContact CG-CE2 3.87Å; M68-Y103 HydrophobicContact SD-CD2 3.96Å; M68-Y103 HydrophobicContact SD-CE2 3.46Å; M68-Y103 WeakPolarHBondContact SD-CE2 3.32Å; V74-Y103 HydrophobicContact CG2-CE2 3.74Å; V74-Y103 WeakPolarHBondContact CG2-OH 3.47Å; V74-Y103 PolarHBondContact N-OH 3.15Å; F78-Y103 HydrophobicContact CD2-CG 4.38Å; Y99-Y103 HydrophobicContact CD1-CD2 4.17Å; Y99-Y103 AromaticContact CD2-CD2 3.73Å; Y99-Y103 HydrophobicContact CD2-CD2 3.73Å; Y99-Y103 AromaticContact CD2-CE2 3.79Å; Y99-Y103 HydrophobicContact CD2-CE2 3.79Å; Y99-Y103 AromaticContact CE1-CD2 3.87Å; Y99-Y103 HydrophobicContact CE1-CD2 3.87Å; Y99-Y103 HydrophobicContact CE1-CG 4.37Å; Y99-Y103 AromaticContact CE2-CD2 3.4Å; Y99-Y103 HydrophobicContact CE2-CD2 3.4Å; Y99-Y103 VanDerWaalsContact CE2-CD2 3.4Å; Y99-Y103 AromaticContact CE2-CE2 3.29Å; Y99-Y103 HydrophobicContact CE2-CE2 3.29Å; Y99-Y103 HydrophobicContact CE2-CG 4.46Å; Y99-Y103 HydrophobicContact CG-CD2 4.11Å; Y99-Y103 AromaticContact CZ-CD2 3.46Å; Y99-Y103 VanDerWaalsContact CZ-CD2 3.46Å; Y99-Y103 AromaticContact CZ-CE2 3.73Å; Y99-Y103 PolarHBondContact O-N 3.25Å; Y99-Y103 VanDerWaalsContact O-N 3.13Å; L100-Y103 PolarHBondContact O-N 3.17Å; Y103-K105 PolarHBondContact O-N 3.43Å; Y103-T106 PolarHBondContact O-N 3.32Å; Y103-T106 VanDerWaalsContact O-N 3.1Å; Y103-T106 PolarHBondContact O-OG1 3.44Å; Y103-Q107 PolarHBondContact O-N 2.86Å |
| 104 | A | 72.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L100 Q107 P108 A111 I140 | L100-A104 WeakPolarHBondContact O-CB 3.18Å; L100-A104 PolarHBondContact O-N 2.82Å; A104-Q107 CarbonylContact O-C 3.55Å; A104-P108 WeakPolarHBondContact O-CA 3.42Å; A104-A111 HydrophobicContact CB-CB 3.79Å; A104-I140 HydrophobicContact CB-CB 4.38Å; A104-I140 HydrophobicContact CB-CG1 4.14Å; A104-I140 HydrophobicContact CB-CG2 3.62Å |
| 105 | K | 71.9 | Confident | 77.1 | Confident | 141 Ų | 141 | 40.3 Ų | 40.3 | 61% | 0.613 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -35.8 | 174.4 | -71.8 | -173 | 177.7 | -176.9 | 0 | 113 | Y103 | Y103-K105 PolarHBondContact O-N 3.43Š|
| 106 | T | 74.1 | Confident | 77 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 60% | 0.601 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -25.7 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | Y103 | Y103-T106 PolarHBondContact O-N 3.32Å; Y103-T106 VanDerWaalsContact O-N 3.1Å; Y103-T106 PolarHBondContact O-OG1 3.44Å |
| 107 | Q | 74.7 | Confident | 77 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | trans | -132.4 | 75.7 | 176.8 | -58 | -173.8 | -9 | 0 | 0 | 111.2 | Y103 A104 D109 T110 A111 | Y103-Q107 PolarHBondContact O-N 2.86Å; A104-Q107 CarbonylContact O-C 3.55Å; Q107-D109 PolarHBondContact O-N 3.47Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.47Å; Q107-T110 PolarHBondContact O-OG1 2.8Å; Q107-T110 PolarHBondContact OE1-OG1 3.49Å; Q107-A111 PolarHBondContact O-N 3.19Å | ||
| 108 | P | 72.2 | Confident | 77 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 29% | 0.292 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -37.8 | -176.3 | 25.2 | -34 | 0 | 0 | 0 | 112.7 | A104 T110 A111 I112 V142 | A104-P108 WeakPolarHBondContact O-CA 3.42Å; P108-T110 VanDerWaalsContact C-N 3.33Å; P108-T110 PolarHBondContact O-N 3.3Å; P108-A111 WeakPolarHBondContact O-CB 3.35Å; P108-A111 PolarHBondContact O-N 3.48Å; P108-I112 PolarHBondContact O-N 3.19Å; P108-V142 HydrophobicContact CB-CG1 3.81Å; P108-V142 HydrophobicContact CB-CG2 4.28Å |
| 109 | D | 75 | Confident | 77.2 | Confident | 101 Ų | 101 | 48 Ų | 48 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.5 | -32.1 | -176.4 | -62.3 | -43.3 | 0 | 0 | 0 | 112.5 | Q107 I112 K144 | Q107-D109 PolarHBondContact O-N 3.47Å; D109-I112 WeakPolarHBondContact O-CB 3.24Å; D109-K144 IonicContact OD1-NZ 3.79Å; D109-K144 PolarHBondContact OD1-NZ 3.26Å |
| 110 | T | 71.2 | Confident | 77.4 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78.8 | -29.8 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | F78 Q107 P108 I112 M113 | F78-T110 WeakPolarHBondContact CE1-OG1 3.47Å; F78-T110 WeakPolarHBondContact CZ-OG1 3.41Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.47Å; Q107-T110 PolarHBondContact O-OG1 2.8Å; Q107-T110 PolarHBondContact OE1-OG1 3.49Å; P108-T110 VanDerWaalsContact C-N 3.33Å; P108-T110 PolarHBondContact O-N 3.3Å; T110-I112 PolarHBondContact O-N 3.28Å; T110-M113 WeakPolarHBondContact O-CB 3.46Å; T110-M113 PolarHBondContact O-N 3.44Å; T110-M113 VanDerWaalsContact O-N 3.14Å |
| 111 | A | 72.2 | Confident | 77.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -27 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A104 Q107 P108 M113 A114 I145 | A104-A111 HydrophobicContact CB-CB 3.79Å; Q107-A111 PolarHBondContact O-N 3.19Å; P108-A111 WeakPolarHBondContact O-CB 3.35Å; P108-A111 PolarHBondContact O-N 3.48Å; A111-M113 PolarHBondContact O-N 3.03Å; A111-A114 WeakPolarHBondContact O-CB 3.2Å; A111-A114 PolarHBondContact O-N 3.5Å; A111-I145 HydrophobicContact CB-CD1 3.83Å |
| 112 | I | 72.9 | Confident | 78.3 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -35.6 | 174.3 | -61.1 | 171.4 | 0 | 0 | 0 | 111.1 | P108 D109 T110 A114 V115 K144 I145 | P108-I112 PolarHBondContact O-N 3.19Å; D109-I112 WeakPolarHBondContact O-CB 3.24Å; T110-I112 PolarHBondContact O-N 3.28Å; I112-A114 PolarHBondContact O-N 3.28Å; I112-V115 VanDerWaalsContact O-CB 3.24Å; I112-V115 WeakPolarHBondContact O-CB 3.46Å; I112-V115 WeakPolarHBondContact O-CG2 3.46Å; I112-V115 PolarHBondContact O-N 2.9Å; I112-V115 VanDerWaalsContact O-N 3.1Å; I112-K144 HydrophobicContact CD1-CB 4.38Å; I112-K144 HydrophobicContact CD1-CD 4.03Å; I112-I145 HydrophobicContact CG1-CG1 4.48Å |
| 113 | M | 71.9 | Confident | 78.9 | Confident | 134 Ų | 134 | 55 Ų | 55 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.3 | -27.7 | 177.6 | -62.7 | -177.6 | 64.4 | 0 | 0 | 112.5 | T110 A111 | T110-M113 WeakPolarHBondContact O-CB 3.46Å; T110-M113 PolarHBondContact O-N 3.44Å; T110-M113 VanDerWaalsContact O-N 3.14Å; A111-M113 PolarHBondContact O-N 3.03Å |
| 114 | A | 76.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.5 | -22.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I82 M85 L100 A111 I112 N116 T117 F118 | I82-A114 HydrophobicContact CD1-CB 4.32Å; M85-A114 HydrophobicContact CE-CB 3.67Å; M85-A114 HydrophobicContact SD-CB 4.18Å; L100-A114 HydrophobicContact CD1-CB 4Å; A111-A114 WeakPolarHBondContact O-CB 3.2Å; A111-A114 PolarHBondContact O-N 3.5Å; I112-A114 PolarHBondContact O-N 3.28Å; A114-N116 VanDerWaalsContact C-N 3.31Å; A114-N116 PolarHBondContact O-N 2.87Å; A114-T117 WeakPolarHBondContact O-CA 3.29Å; A114-T117 WeakPolarHBondContact O-CB 3.49Å; A114-T117 PolarHBondContact O-N 3.19Å; A114-F118 HydrophobicContact CB-CD2 4.19Å; A114-F118 HydrophobicContact CB-CE2 3.71Å; A114-F118 HydrophobicContact CB-CZ 4.47Å; A114-F118 VanDerWaalsContact O-CD2 3.27Å; A114-F118 WeakPolarHBondContact O-CD2 3.22Å; A114-F118 PolarHBondContact O-N 2.69Å |
| 115 | V | 79.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.2 | -46 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | I112 T117 F118 V119 M137 I145 Y148 | I112-V115 VanDerWaalsContact O-CB 3.24Å; I112-V115 WeakPolarHBondContact O-CB 3.46Å; I112-V115 WeakPolarHBondContact O-CG2 3.46Å; I112-V115 PolarHBondContact O-N 2.9Å; I112-V115 VanDerWaalsContact O-N 3.1Å; V115-T117 PolarHBondContact O-N 2.92Å; V115-F118 PolarHBondContact O-N 3.2Å; V115-F118 VanDerWaalsContact O-N 3.08Å; V115-V119 HydrophobicContact CG1-CG2 4.17Å; V115-V119 WeakPolarHBondContact O-CG2 3.3Å; V115-V119 PolarHBondContact O-N 3.04Å; V115-M137 HydrophobicContact CG1-CE 4.35Å; V115-I145 HydrophobicContact CG2-CB 4.38Å; V115-I145 HydrophobicContact CG2-CD1 4.03Å; V115-I145 HydrophobicContact CG2-CG1 3.85Å; V115-I145 HydrophobicContact CG2-CG2 3.84Å; V115-Y148 VanDerWaalsContact CG1-CB 3.44Å; V115-Y148 HydrophobicContact CG1-CD1 4.08Å; V115-Y148 HydrophobicContact CG1-CD2 4.18Å; V115-Y148 HydrophobicContact CG1-CG 3.66Å |
| 116 | N | 81 | Confident | 81.3 | Confident | 123 Ų | 123 | 57.5 Ų | 57.5 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.8 | -32.8 | 178.5 | -71.2 | -27.7 | 0 | 0 | 0 | 112.8 | A114 K120 | A114-N116 VanDerWaalsContact C-N 3.31Å; A114-N116 PolarHBondContact O-N 2.87Å; N116-K120 WeakPolarHBondContact O-CB 3.44Å; N116-K120 PolarHBondContact O-N 3.25Å |
| 117 | T | 84.3 | Confident | 82.1 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.3 | -39.6 | 177.3 | -52 | 0 | 0 | 0 | 0 | 110.8 | M85 A114 V115 K120 D121 | M85-T117 HydrophobicContact CE-CG2 3.67Å; M85-T117 WeakPolarHBondContact CE-OG1 3.46Å; M85-T117 HydrophobicContact CG-CG2 3.87Å; M85-T117 HydrophobicContact SD-CG2 4.01Å; A114-T117 WeakPolarHBondContact O-CA 3.29Å; A114-T117 WeakPolarHBondContact O-CB 3.49Å; A114-T117 PolarHBondContact O-N 3.19Å; V115-T117 PolarHBondContact O-N 2.92Å; T117-K120 PolarHBondContact O-N 2.94Å; T117-D121 WeakPolarHBondContact O-CB 3.23Å; T117-D121 PolarHBondContact O-N 3.38Å |
| 118 | F | 86.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.5 | -67.4 | -59.2 | 0 | 0 | 0 | 112.5 | M85 Y97 L100 A114 V115 K120 D121 C122 A133 T136 M137 I140 | M85-F118 HydrophobicContact SD-CE1 4.41Å; M85-F118 HydrophobicContact SD-CZ 4.35Å; Y97-F118 AromaticContact CD1-CE1 3.62Å; Y97-F118 HydrophobicContact CD1-CE1 3.62Å; Y97-F118 HydrophobicContact CD1-CZ 4.27Å; Y97-F118 AromaticContact CD2-CE1 3.96Å; Y97-F118 HydrophobicContact CD2-CE1 3.96Å; Y97-F118 AromaticContact CE1-CD1 3.87Å; Y97-F118 HydrophobicContact CE1-CD1 3.87Å; Y97-F118 AromaticContact CE1-CE1 3.36Å; Y97-F118 HydrophobicContact CE1-CE1 3.36Å; Y97-F118 HydrophobicContact CE1-CZ 4.29Å; Y97-F118 HydrophobicContact CE2-CD1 4.01Å; Y97-F118 AromaticContact CE2-CE1 3.74Å; Y97-F118 HydrophobicContact CE2-CE1 3.74Å; Y97-F118 AromaticContact CG-CE1 3.91Å; Y97-F118 HydrophobicContact CG-CE1 3.91Å; Y97-F118 AromaticContact CZ-CD1 3.56Å; Y97-F118 AromaticContact CZ-CE1 3.41Å; Y97-F118 VanDerWaalsContact CZ-CE1 3.41Å; L100-F118 HydrophobicContact CD1-CE2 4.29Å; L100-F118 HydrophobicContact CD1-CZ 3.74Å; A114-F118 HydrophobicContact CB-CD2 4.19Å; A114-F118 HydrophobicContact CB-CE2 3.71Å; A114-F118 HydrophobicContact CB-CZ 4.47Å; A114-F118 VanDerWaalsContact O-CD2 3.27Å; A114-F118 WeakPolarHBondContact O-CD2 3.22Å; A114-F118 PolarHBondContact O-N 2.69Å; V115-F118 PolarHBondContact O-N 3.2Å; V115-F118 VanDerWaalsContact O-N 3.08Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.04Å; F118-D121 CarbonylContact O-C 3.52Å; F118-D121 PolarHBondContact O-N 3.07Å; F118-C122 PolarHBondContact O-N 3Å; F118-C122 PolarHBondContact O-SG 2.65Å; F118-A133 HydrophobicContact CD1-CB 4.48Å; F118-T136 HydrophobicContact CE1-CG2 3.62Å; F118-T136 HydrophobicContact CZ-CG2 3.71Å; F118-M137 HydrophobicContact CB-CE 4.43Å; F118-M137 HydrophobicContact CB-CG 3.56Å; F118-M137 HydrophobicContact CB-SD 3.48Å; F118-M137 WeakPolarHBondContact CB-SD 3.44Å; F118-M137 HydrophobicContact CD1-CG 4.3Å; F118-M137 HydrophobicContact CD2-CG 3.99Å; F118-M137 HydrophobicContact CG-CG 3.73Å; F118-M137 HydrophobicContact CG-SD 4.32Å; F118-I140 HydrophobicContact CD2-CD1 4.43Å; F118-I140 HydrophobicContact CE2-CD1 3.58Å; F118-I140 HydrophobicContact CZ-CD1 3.91Å |
| 119 | V | 86.9 | Confident | 83.5 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -44 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | V115 C122 M137 P152 | V115-V119 HydrophobicContact CG1-CG2 4.17Å; V115-V119 WeakPolarHBondContact O-CG2 3.3Å; V115-V119 PolarHBondContact O-N 3.04Å; V119-C122 WeakPolarHBondContact O-CB 3.28Å; V119-C122 PolarHBondContact O-N 3.36Å; V119-M137 HydrophobicContact CG2-CE 4.45Å; V119-P152 HydrophobicContact CG1-CG 4.41Å; V119-P152 HydrophobicContact CG2-CG 4.04Å |
| 120 | K | 87.6 | Confident | 84.3 | Confident | 158 Ų | 158 | 50 Ų | 50 | 69% | 0.687 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 174.3 | -175.5 | -174.6 | 175.9 | -172 | 0 | 112.3 | N116 T117 F118 C122 D123 | N116-K120 WeakPolarHBondContact O-CB 3.44Å; N116-K120 PolarHBondContact O-N 3.25Å; T117-K120 PolarHBondContact O-N 2.94Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.04Å; K120-C122 VanDerWaalsContact C-N 3.26Å; K120-C122 PolarHBondContact O-N 2.93Å; K120-D123 PolarHBondContact O-N 3.01Å |
| 121 | D | 89.3 | Confident | 85.2 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.9 | -23.9 | -179.7 | -72 | -25.7 | 0 | 0 | 0 | 112.2 | K93 Y97 T117 F118 D123 D124 I129 R130 A133 | K93-D121 IonicContact NZ-OD1 3.92Å; K93-D121 PolarHBondContact NZ-OD1 2.91Å; K93-D121 IonicContact NZ-OD2 3.33Å; K93-D121 PolarHBondContact NZ-OD2 3.18Å; Y97-D121 WeakPolarHBondContact OH-CB 3.37Å; Y97-D121 PolarHBondContact OH-OD2 2.82Å; T117-D121 WeakPolarHBondContact O-CB 3.23Å; T117-D121 PolarHBondContact O-N 3.38Å; F118-D121 CarbonylContact O-C 3.52Å; F118-D121 PolarHBondContact O-N 3.07Å; D121-D123 PolarHBondContact O-N 2.7Å; D121-D124 VanDerWaalsContact O-CB 3.27Å; D121-D124 WeakPolarHBondContact O-CB 3.38Å; D121-D124 PolarHBondContact O-N 3.19Å; D121-I129 HydrophobicContact CB-CG2 3.9Å; D121-R130 WeakPolarHBondContact O-CA 3.42Å; D121-A133 HydrophobicContact CB-CB 3.78Å |
| 122 | C | 90.3 | Very high | 86 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.5 | 169.8 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | F118 V119 K120 R130 A133 P152 | F118-C122 PolarHBondContact O-N 3Å; F118-C122 PolarHBondContact O-SG 2.65Å; V119-C122 WeakPolarHBondContact O-CB 3.28Å; V119-C122 PolarHBondContact O-N 3.36Å; K120-C122 VanDerWaalsContact C-N 3.26Å; K120-C122 PolarHBondContact O-N 2.93Å; C122-R130 WeakPolarHBondContact O-CD 3.4Å; C122-R130 WeakPolarHBondContact O-CG 3.47Å; C122-A133 VanDerWaalsContact SG-CB 3.59Å; C122-P152 HydrophobicContact CB-CB 3.94Å |
| 123 | D | 90.9 | Very high | 86.7 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9.3 | 175.4 | -69.4 | -26.8 | 0 | 0 | 0 | 113 | K120 D121 K155 | K120-D123 PolarHBondContact O-N 3.01Å; D121-D123 PolarHBondContact O-N 2.7Å; D123-K155 WeakPolarHBondContact OD1-CE 3.4Å; D123-K155 IonicContact OD1-NZ 3.82Å; D123-K155 PolarHBondContact OD1-NZ 2.86Å; D123-K155 IonicContact OD2-NZ 3.47Å |
| 124 | D | 90.7 | Very high | 87.7 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | trans | -65.8 | 143.7 | -178.4 | -166.7 | -85.7 | 0 | 0 | 0 | 111.8 | D121 N126 I129 R130 | D121-D124 VanDerWaalsContact O-CB 3.27Å; D121-D124 WeakPolarHBondContact O-CB 3.38Å; D121-D124 PolarHBondContact O-N 3.19Å; D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 VanDerWaalsContact OD1-CB 3.23Å; D124-N126 WeakPolarHBondContact OD1-CB 2.91Å; D124-N126 PolarHBondContact OD1-N 3.06Å; D124-I129 HydrophobicContact CB-CB 4.01Å; D124-I129 HydrophobicContact CB-CG2 3.7Å; D124-R130 HydrophobicContact CB-CG 4.35Å; D124-R130 WeakPolarHBondContact O-CD 3.48Å; D124-R130 WeakPolarHBondContact O-CG 3.27Å; D124-R130 PolarHBondContact O-NH1 3.12Å | ||
| 125 | P | 89.7 | Confident | 88.3 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 77% | 0.766 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -56.2 | -31.2 | 175 | -26.5 | 35.2 | 0 | 0 | 0 | 113.8 | P127 R130 | P125-P127 WeakPolarHBondContact O-CD 3.49Å; P125-R130 PolarHBondContact O-NH1 3.07Å |
| 126 | N | 88.9 | Confident | 88.6 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -81.9 | 116.7 | -179.2 | -173.1 | -17.5 | 0 | 0 | 0 | 111.5 | D124 L128 I129 R130 | D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 VanDerWaalsContact OD1-CB 3.23Å; D124-N126 WeakPolarHBondContact OD1-CB 2.91Å; D124-N126 PolarHBondContact OD1-N 3.06Å; N126-L128 PolarHBondContact O-N 2.68Å; N126-L128 VanDerWaalsContact O-N 3.16Å; N126-L128 WeakPolarHBondContact OD1-CB 3.03Å; N126-L128 PolarHBondContact OD1-N 2.87Å; N126-I129 HydrophobicContact CB-CB 4.28Å; N126-I129 HydrophobicContact CB-CD1 4Å; N126-I129 HydrophobicContact CB-CG1 4.03Å; N126-I129 PolarHBondContact O-N 2.83Å; N126-R130 PolarHBondContact O-N 2.98Å; N126-R130 VanDerWaalsContact O-N 3.17Å |
| 127 | P | 90.7 | Very high | 88.9 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 21% | 0.214 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -30.4 | -179.9 | 23.8 | -33.7 | 0 | 0 | 0 | 113.2 | P125 I129 R130 A131 D161 V164 | P125-P127 WeakPolarHBondContact O-CD 3.49Å; P127-I129 VanDerWaalsContact C-N 3.3Å; P127-I129 PolarHBondContact O-N 2.78Å; P127-R130 PolarHBondContact O-N 2.9Å; P127-A131 VanDerWaalsContact O-CB 3.3Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.3Å; P127-D161 HydrophobicContact CB-CB 3.81Å; P127-V164 HydrophobicContact CB-CG2 3.78Å; P127-V164 WeakPolarHBondContact O-CG2 3.46Å |
| 128 | L | 89 | Confident | 88.8 | Confident | 74 Ų | 74 | 37.9 Ų | 37.9 | 39% | 0.387 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.1 | -33.8 | 177.5 | -60.7 | 179.6 | 0 | 0 | 0 | 112 | L90 N126 L132 Y163 | L90-L128 HydrophobicContact CD1-CB 4.29Å; L90-L128 HydrophobicContact CD2-CB 4.25Å; L90-L128 HydrophobicContact CD2-CD1 3.9Å; N126-L128 PolarHBondContact O-N 2.68Å; N126-L128 VanDerWaalsContact O-N 3.16Å; N126-L128 WeakPolarHBondContact OD1-CB 3.03Å; N126-L128 PolarHBondContact OD1-N 2.87Å; L128-L132 WeakPolarHBondContact O-CB 3.46Å; L128-L132 PolarHBondContact O-N 3.4Å; L128-Y163 HydrophobicContact CD2-CD1 4.05Å; L128-Y163 HydrophobicContact CD2-CE1 3.9Å |
| 129 | I | 88 | Confident | 88.7 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73 | -45.4 | 176.9 | -64.7 | 179.8 | 0 | 0 | 0 | 109.3 | L90 K93 D121 D124 N126 P127 A131 L132 A133 | L90-I129 HydrophobicContact CD1-CG1 3.75Å; K93-I129 HydrophobicContact CD-CG2 3.97Å; D121-I129 HydrophobicContact CB-CG2 3.9Å; D124-I129 HydrophobicContact CB-CB 4.01Å; D124-I129 HydrophobicContact CB-CG2 3.7Å; N126-I129 HydrophobicContact CB-CB 4.28Å; N126-I129 HydrophobicContact CB-CD1 4Å; N126-I129 HydrophobicContact CB-CG1 4.03Å; N126-I129 PolarHBondContact O-N 2.83Å; P127-I129 VanDerWaalsContact C-N 3.3Å; P127-I129 PolarHBondContact O-N 2.78Å; I129-A131 PolarHBondContact O-N 3.05Å; I129-L132 PolarHBondContact O-N 2.83Å; I129-A133 WeakPolarHBondContact O-CB 3.37Å; I129-A133 PolarHBondContact O-N 3.13Å |
| 130 | R | 92.8 | Very high | 88.3 | Confident | 34 Ų | 34 | 37 Ų | 37 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.7 | -51.9 | 175.3 | -60.1 | -161.7 | -62.9 | -81.5 | 5.3 | 112.2 | D121 C122 D124 P125 N126 P127 L132 A133 V134 D159 V164 | D121-R130 WeakPolarHBondContact O-CA 3.42Å; C122-R130 WeakPolarHBondContact O-CD 3.4Å; C122-R130 WeakPolarHBondContact O-CG 3.47Å; D124-R130 HydrophobicContact CB-CG 4.35Å; D124-R130 WeakPolarHBondContact O-CD 3.48Å; D124-R130 WeakPolarHBondContact O-CG 3.27Å; D124-R130 PolarHBondContact O-NH1 3.12Å; P125-R130 PolarHBondContact O-NH1 3.07Å; N126-R130 PolarHBondContact O-N 2.98Å; N126-R130 VanDerWaalsContact O-N 3.17Å; P127-R130 PolarHBondContact O-N 2.9Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.22Å; R130-A133 PolarHBondContact O-N 3.09Å; R130-V134 PolarHBondContact O-N 3.12Å; R130-V134 VanDerWaalsContact O-N 3.09Å; R130-D159 IonicContact CZ-OD1 2.91Å; R130-D159 IonicContact CZ-OD2 3.38Å; R130-D159 IonicContact NE-OD1 2.62Å; R130-D159 IonicContact NE-OD2 2.8Å; R130-D159 PolarHBondContact NE-OD2 2.99Å; R130-D159 IonicContact NH2-OD1 3.73Å; R130-D159 PolarHBondContact NH2-OD1 3.16Å; R130-D159 IonicContact NH2-OD2 3.69Å; R130-D159 PolarHBondContact NH2-OD2 2.8Å; R130-V164 HydrophobicContact CB-CG1 4.41Å; R130-V164 HydrophobicContact CB-CG2 4.18Å |
| 131 | A | 90 | Very high | 87.8 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P127 I129 V134 R135 Y163 V164 T167 | P127-A131 VanDerWaalsContact O-CB 3.3Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.3Å; I129-A131 PolarHBondContact O-N 3.05Å; A131-V134 VanDerWaalsContact O-CG1 3.32Å; A131-V134 WeakPolarHBondContact O-CG1 3.48Å; A131-R135 VanDerWaalsContact O-CB 3.22Å; A131-R135 WeakPolarHBondContact O-CB 3.47Å; A131-R135 PolarHBondContact O-N 3.44Å; A131-Y163 HydrophobicContact CB-CD1 3.55Å; A131-Y163 HydrophobicContact CB-CE1 3.54Å; A131-V164 HydrophobicContact CB-CG2 4.17Å; A131-T167 HydrophobicContact CB-CG2 4.22Å; A131-T167 WeakPolarHBondContact O-CG2 3.43Å |
| 132 | L | 87.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 178.3 | 179.7 | 65 | 0 | 0 | 0 | 111.5 | L90 K94 Y97 L128 I129 R130 T136 | L90-L132 HydrophobicContact CD1-CD2 4.22Å; K94-L132 HydrophobicContact CB-CD2 4.43Å; K94-L132 HydrophobicContact CG-CD1 4.28Å; K94-L132 HydrophobicContact CG-CD2 3.54Å; Y97-L132 HydrophobicContact CD2-CD1 4.13Å; Y97-L132 HydrophobicContact CD2-CD2 3.85Å; Y97-L132 HydrophobicContact CD2-CG 3.54Å; Y97-L132 HydrophobicContact CE2-CB 4.44Å; Y97-L132 HydrophobicContact CE2-CD2 3.99Å; Y97-L132 HydrophobicContact CE2-CG 3.7Å; L128-L132 WeakPolarHBondContact O-CB 3.46Å; L128-L132 PolarHBondContact O-N 3.4Å; I129-L132 PolarHBondContact O-N 2.83Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.22Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.48Å; L132-T136 PolarHBondContact O-N 3.34Å; L132-T136 PolarHBondContact O-OG1 3.46Å |
| 133 | A | 89 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -54.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y97 F118 D121 C122 I129 R130 R135 T136 M137 | Y97-A133 HydrophobicContact CE2-CB 4.34Å; F118-A133 HydrophobicContact CD1-CB 4.48Å; D121-A133 HydrophobicContact CB-CB 3.78Å; C122-A133 VanDerWaalsContact SG-CB 3.59Å; I129-A133 WeakPolarHBondContact O-CB 3.37Å; I129-A133 PolarHBondContact O-N 3.13Å; R130-A133 PolarHBondContact O-N 3.09Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.03Å; A133-T136 PolarHBondContact O-N 3.33Å; A133-T136 VanDerWaalsContact O-N 3.11Å; A133-M137 WeakPolarHBondContact O-CG 3.43Å; A133-M137 PolarHBondContact O-N 3.05Å |
| 134 | V | 91.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 112 | R130 A131 T136 G138 L149 L153 C156 T167 C171 | R130-V134 PolarHBondContact O-N 3.12Å; R130-V134 VanDerWaalsContact O-N 3.09Å; A131-V134 VanDerWaalsContact O-CG1 3.32Å; A131-V134 WeakPolarHBondContact O-CG1 3.48Å; V134-T136 PolarHBondContact O-N 2.84Å; V134-G138 PolarHBondContact O-N 3.29Å; V134-G138 VanDerWaalsContact O-N 3.13Å; V134-L149 HydrophobicContact CG2-CD1 4Å; V134-L153 HydrophobicContact CG2-CB 4.47Å; V134-L153 HydrophobicContact CG2-CD1 3.82Å; V134-C156 HydrophobicContact CG1-CB 4.47Å; V134-C156 HydrophobicContact CG2-CB 4.36Å; V134-T167 HydrophobicContact CG1-CG2 4.19Å; V134-C171 HydrophobicContact CG2-CB 4.37Å; V134-C171 PolarHBondContact O-SG 3.36Å |
| 135 | R | 89.2 | Confident | 85 | Confident | 102 Ų | 102 | 42 Ų | 42 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.1 | -171 | 179.2 | 74.6 | 168 | 4.8 | 112.1 | A131 A133 G138 C139 T167 | A131-R135 VanDerWaalsContact O-CB 3.22Å; A131-R135 WeakPolarHBondContact O-CB 3.47Å; A131-R135 PolarHBondContact O-N 3.44Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.03Å; R135-G138 PolarHBondContact O-N 2.83Å; R135-C139 PolarHBondContact O-N 3.31Å; R135-C139 VanDerWaalsContact O-N 3.14Å; R135-C139 PolarHBondContact O-SG 3.25Å; R135-T167 HydrophobicContact CB-CG2 3.68Å; R135-T167 HydrophobicContact CG-CG2 4.21Å |
| 136 | T | 86.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | -176.8 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | Y97 M101 F118 L132 A133 V134 G138 C139 I140 | Y97-T136 HydrophobicContact CD2-CG2 3.94Å; Y97-T136 WeakPolarHBondContact CD2-OG1 3.46Å; Y97-T136 HydrophobicContact CG-CG2 4Å; M101-T136 HydrophobicContact CG-CG2 3.79Å; M101-T136 HydrophobicContact SD-CG2 4.23Å; F118-T136 HydrophobicContact CE1-CG2 3.62Å; F118-T136 HydrophobicContact CZ-CG2 3.71Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.48Å; L132-T136 PolarHBondContact O-N 3.34Å; L132-T136 PolarHBondContact O-OG1 3.46Å; A133-T136 PolarHBondContact O-N 3.33Å; A133-T136 VanDerWaalsContact O-N 3.11Å; V134-T136 PolarHBondContact O-N 2.84Å; T136-G138 VanDerWaalsContact C-N 3.31Å; T136-G138 PolarHBondContact O-N 3.41Å; T136-C139 PolarHBondContact O-N 3Å; T136-I140 HydrophobicContact CG2-CD1 4.39Å; T136-I140 WeakPolarHBondContact O-CG1 3.33Å; T136-I140 PolarHBondContact O-N 3.22Å; T136-I140 VanDerWaalsContact O-N 3.16Å |
| 137 | M | 87.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -43.8 | 173.4 | -69.9 | -175.9 | 77.6 | 0 | 0 | 112 | V115 F118 V119 A133 C139 I140 I145 L149 | V115-M137 HydrophobicContact CG1-CE 4.35Å; F118-M137 HydrophobicContact CB-CE 4.43Å; F118-M137 HydrophobicContact CB-CG 3.56Å; F118-M137 HydrophobicContact CB-SD 3.48Å; F118-M137 WeakPolarHBondContact CB-SD 3.44Å; F118-M137 HydrophobicContact CD1-CG 4.3Å; F118-M137 HydrophobicContact CD2-CG 3.99Å; F118-M137 HydrophobicContact CG-CG 3.73Å; F118-M137 HydrophobicContact CG-SD 4.32Å; V119-M137 HydrophobicContact CG2-CE 4.45Å; A133-M137 WeakPolarHBondContact O-CG 3.43Å; A133-M137 PolarHBondContact O-N 3.05Å; M137-C139 VanDerWaalsContact C-N 3.28Å; M137-C139 PolarHBondContact O-N 3.26Å; M137-I140 PolarHBondContact O-N 3.49Å; M137-I145 HydrophobicContact CE-CG2 4.46Å; M137-L149 HydrophobicContact CB-CD1 3.66Å; M137-L149 HydrophobicContact CB-CD2 4.39Å; M137-L149 HydrophobicContact CB-CG 4.44Å; M137-L149 HydrophobicContact CE-CB 4.06Å; M137-L149 HydrophobicContact CE-CD1 4.34Å; M137-L149 HydrophobicContact SD-CD1 4.12Å |
| 138 | G | 84 | Confident | 84 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -26.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V134 R135 T136 C171 | V134-G138 PolarHBondContact O-N 3.29Å; V134-G138 VanDerWaalsContact O-N 3.13Å; R135-G138 PolarHBondContact O-N 2.83Å; T136-G138 VanDerWaalsContact C-N 3.31Å; T136-G138 PolarHBondContact O-N 3.41Å; G138-C171 VanDerWaalsContact CA-SG 3.59Å |
| 139 | C | 83.6 | Confident | 84 | Confident | 32 Ų | 32 | 38 Ų | 38 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -84.8 | -17.9 | 178.3 | -71.6 | 0 | 0 | 0 | 0 | 114.2 | M101 R135 T136 M137 R141 K174 | M101-C139 HydrophobicContact CG-CB 4.04Å; M101-C139 HydrophobicContact SD-CB 3.46Å; M101-C139 WeakPolarHBondContact SD-CB 3.47Å; R135-C139 PolarHBondContact O-N 3.31Å; R135-C139 VanDerWaalsContact O-N 3.14Å; R135-C139 PolarHBondContact O-SG 3.25Å; T136-C139 PolarHBondContact O-N 3Å; M137-C139 VanDerWaalsContact C-N 3.28Å; M137-C139 PolarHBondContact O-N 3.26Å; C139-R141 VanDerWaalsContact C-N 3.26Å; C139-R141 PolarHBondContact O-N 3.27Å; C139-K174 PolarHBondContact SG-NZ 2.9Å |
| 140 | I | 78.8 | Confident | 84.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -27.6 | -175.6 | -78.5 | 166.5 | 0 | 0 | 0 | 111.9 | A104 F118 T136 M137 V142 I145 | A104-I140 HydrophobicContact CB-CB 4.38Å; A104-I140 HydrophobicContact CB-CG1 4.14Å; A104-I140 HydrophobicContact CB-CG2 3.62Å; F118-I140 HydrophobicContact CD2-CD1 4.43Å; F118-I140 HydrophobicContact CE2-CD1 3.58Å; F118-I140 HydrophobicContact CZ-CD1 3.91Å; T136-I140 HydrophobicContact CG2-CD1 4.39Å; T136-I140 WeakPolarHBondContact O-CG1 3.33Å; T136-I140 PolarHBondContact O-N 3.22Å; T136-I140 VanDerWaalsContact O-N 3.16Å; M137-I140 PolarHBondContact O-N 3.49Å; I140-V142 HydrophobicContact CG2-CB 3.96Å; I140-V142 HydrophobicContact CG2-CG2 3.65Å; I140-V142 PolarHBondContact O-N 3.41Å; I140-I145 HydrophobicContact CG2-CD1 3.71Å |
| 141 | R | 76.8 | Confident | 84.1 | Confident | 114 Ų | 114 | 42.9 Ų | 42.9 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | trans | 49.3 | 40.8 | 175.5 | -60.2 | -171.7 | 68.7 | 145.3 | 8.1 | 114 | C139 D177 I178 | C139-R141 VanDerWaalsContact C-N 3.26Å; C139-R141 PolarHBondContact O-N 3.27Å; R141-D177 IonicContact CZ-OD2 2.93Å; R141-D177 IonicContact NH1-OD2 2.7Å; R141-D177 PolarHBondContact NH1-OD2 3.06Å; R141-D177 IonicContact NH2-OD1 3.01Å; R141-D177 IonicContact NH2-OD2 3.27Å; R141-D177 PolarHBondContact NH2-OD2 3.44Å; R141-I178 HydrophobicContact CB-CD1 4.24Å; R141-I178 HydrophobicContact CB-CG1 4.38Å; R141-I178 HydrophobicContact CG-CD1 4Å; R141-I178 HydrophobicContact CG-CG1 4.17Å | ||
| 142 | V | 77.2 | Confident | 84.2 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | trans | -111 | 119.8 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | P108 I140 K144 I145 T146 | P108-V142 HydrophobicContact CB-CG1 3.81Å; P108-V142 HydrophobicContact CB-CG2 4.28Å; I140-V142 HydrophobicContact CG2-CB 3.96Å; I140-V142 HydrophobicContact CG2-CG2 3.65Å; I140-V142 PolarHBondContact O-N 3.41Å; V142-K144 VanDerWaalsContact C-N 3.28Å; V142-K144 HydrophobicContact CG1-CB 4.25Å; V142-K144 PolarHBondContact O-N 2.91Å; V142-I145 HydrophobicContact CB-CB 4.34Å; V142-I145 HydrophobicContact CB-CD1 4Å; V142-I145 HydrophobicContact CB-CG1 4.15Å; V142-I145 HydrophobicContact CG1-CD1 4.22Å; V142-I145 HydrophobicContact CG1-CG1 4.12Å; V142-I145 HydrophobicContact CG2-CD1 4.49Å; V142-I145 WeakPolarHBondContact O-CA 3.32Å; V142-I145 WeakPolarHBondContact O-CB 3.37Å; V142-I145 PolarHBondContact O-N 2.99Å; V142-T146 PolarHBondContact O-N 3.11Å | ||
| 143 | E | 74.8 | Confident | 84.5 | Confident | 148 Ų | 148 | 42.7 Ų | 42.7 | 69% | 0.692 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -56.1 | -38.8 | -176.9 | -167.6 | -177.7 | 174.1 | 0 | 0 | 112.7 | I145 T146 | E143-I145 PolarHBondContact O-N 3.16Å; E143-T146 PolarHBondContact O-N 2.94Å; E143-T146 PolarHBondContact O-OG1 3.25Å |
| 144 | K | 75 | Confident | 84.8 | Confident | 121 Ų | 121 | 46.8 Ų | 46.8 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.7 | -19.7 | 175.2 | -61.3 | -175.9 | -173.5 | 178.4 | 0 | 113.8 | D109 I112 V142 Y148 | D109-K144 IonicContact OD1-NZ 3.79Å; D109-K144 PolarHBondContact OD1-NZ 3.26Å; I112-K144 HydrophobicContact CD1-CB 4.38Å; I112-K144 HydrophobicContact CD1-CD 4.03Å; V142-K144 VanDerWaalsContact C-N 3.28Å; V142-K144 HydrophobicContact CG1-CB 4.25Å; V142-K144 PolarHBondContact O-N 2.91Å; K144-Y148 WeakPolarHBondContact O-CD2 3.47Å; K144-Y148 WeakPolarHBondContact O-CE2 3.23Å |
| 145 | I | 75.4 | Confident | 85 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -96.7 | -22.7 | -177.8 | -62.6 | 178.4 | 0 | 0 | 0 | 111.5 | A111 I112 V115 M137 I140 V142 E143 A147 Y148 L149 | A111-I145 HydrophobicContact CB-CD1 3.83Å; I112-I145 HydrophobicContact CG1-CG1 4.48Å; V115-I145 HydrophobicContact CG2-CB 4.38Å; V115-I145 HydrophobicContact CG2-CD1 4.03Å; V115-I145 HydrophobicContact CG2-CG1 3.85Å; V115-I145 HydrophobicContact CG2-CG2 3.84Å; M137-I145 HydrophobicContact CE-CG2 4.46Å; I140-I145 HydrophobicContact CG2-CD1 3.71Å; V142-I145 HydrophobicContact CB-CB 4.34Å; V142-I145 HydrophobicContact CB-CD1 4Å; V142-I145 HydrophobicContact CB-CG1 4.15Å; V142-I145 HydrophobicContact CG1-CD1 4.22Å; V142-I145 HydrophobicContact CG1-CG1 4.12Å; V142-I145 HydrophobicContact CG2-CD1 4.49Å; V142-I145 WeakPolarHBondContact O-CA 3.32Å; V142-I145 WeakPolarHBondContact O-CB 3.37Å; V142-I145 PolarHBondContact O-N 2.99Å; E143-I145 PolarHBondContact O-N 3.16Å; I145-A147 VanDerWaalsContact C-N 3.33Å; I145-A147 PolarHBondContact O-N 2.66Å; I145-Y148 PolarHBondContact O-N 3.47Å; I145-L149 PolarHBondContact O-N 3.26Å |
| 146 | T | 80.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | -175 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | V142 E143 Y148 L149 C150 L175 I178 | V142-T146 PolarHBondContact O-N 3.11Å; E143-T146 PolarHBondContact O-N 2.94Å; E143-T146 PolarHBondContact O-OG1 3.25Å; T146-Y148 PolarHBondContact O-N 2.97Å; T146-L149 WeakPolarHBondContact O-CB 3.41Å; T146-L149 PolarHBondContact O-N 2.96Å; T146-C150 PolarHBondContact O-N 2.98Å; T146-L175 HydrophobicContact CG2-CD1 3.88Å; T146-I178 HydrophobicContact CG2-CB 4.28Å; T146-I178 HydrophobicContact CG2-CD1 4.19Å; T146-I178 HydrophobicContact CG2-CG2 3.65Å |
| 147 | A | 82.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 48 Ų | 48 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.9 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I145 L149 C150 | I145-A147 VanDerWaalsContact C-N 3.33Å; I145-A147 PolarHBondContact O-N 2.66Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 2.74Å; A147-C150 PolarHBondContact O-N 3.13Å |
| 148 | Y | 85.3 | Confident | 86.1 | Confident | 123 Ų | 123 | 54.6 Ų | 54.6 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.8 | -15.2 | 178 | -62.5 | -81.9 | 0 | 0 | 0 | 113.5 | V115 K144 I145 T146 P152 | V115-Y148 VanDerWaalsContact CG1-CB 3.44Å; V115-Y148 HydrophobicContact CG1-CD1 4.08Å; V115-Y148 HydrophobicContact CG1-CD2 4.18Å; V115-Y148 HydrophobicContact CG1-CG 3.66Å; K144-Y148 WeakPolarHBondContact O-CD2 3.47Å; K144-Y148 WeakPolarHBondContact O-CE2 3.23Å; I145-Y148 PolarHBondContact O-N 3.47Å; T146-Y148 PolarHBondContact O-N 2.97Å; Y148-P152 WeakPolarHBondContact O-CD 3.39Å; Y148-P152 WeakPolarHBondContact O-CG 3.23Å |
| 149 | L | 89.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.8 | -26.7 | 175.4 | 175.8 | 57.8 | 0 | 0 | 0 | 111.9 | V134 M137 I145 T146 A147 D151 P152 L153 L175 | V134-L149 HydrophobicContact CG2-CD1 4Å; M137-L149 HydrophobicContact CB-CD1 3.66Å; M137-L149 HydrophobicContact CB-CD2 4.39Å; M137-L149 HydrophobicContact CB-CG 4.44Å; M137-L149 HydrophobicContact CE-CB 4.06Å; M137-L149 HydrophobicContact CE-CD1 4.34Å; M137-L149 HydrophobicContact SD-CD1 4.12Å; I145-L149 PolarHBondContact O-N 3.26Å; T146-L149 WeakPolarHBondContact O-CB 3.41Å; T146-L149 PolarHBondContact O-N 2.96Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 2.74Å; L149-D151 PolarHBondContact O-N 3.15Å; L149-P152 WeakPolarHBondContact O-CD 3.45Å; L149-L153 HydrophobicContact CD1-CB 4.12Å; L149-L153 HydrophobicContact CG-CB 4.22Å; L149-L153 HydrophobicContact CG-CD2 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 PolarHBondContact O-N 3.28Å; L149-L175 HydrophobicContact CD2-CD1 4.36Å |
| 150 | C | 91.3 | Very high | 87.2 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 9% | 0.088 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | -173.3 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | T146 A147 L153 R154 F188 | T146-C150 PolarHBondContact O-N 2.98Å; A147-C150 PolarHBondContact O-N 3.13Å; C150-L153 PolarHBondContact O-N 3.46Å; C150-R154 WeakPolarHBondContact O-CB 3.37Å; C150-R154 PolarHBondContact O-N 3.32Å; C150-F188 HydrophobicContact CB-CE2 4.16Å; C150-F188 HydrophobicContact CB-CZ 4.07Å; C150-F188 WeakPolarHBondContact O-CZ 3.29Å |
| 151 | D | 91.2 | Very high | 88 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 68% | 0.684 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.5 | -50.7 | -178.3 | -68.3 | -31.5 | 0 | 0 | 0 | 112.7 | L149 L153 R154 K155 | L149-D151 PolarHBondContact O-N 3.15Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.47Å; D151-R154 PolarHBondContact O-N 2.87Å; D151-K155 PolarHBondContact O-N 2.8Å |
| 152 | P | 92.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 173.1 | -25.6 | 32.7 | 0 | 0 | 0 | 113.4 | V119 C122 Y148 L149 R154 K155 C156 | V119-P152 HydrophobicContact CG1-CG 4.41Å; V119-P152 HydrophobicContact CG2-CG 4.04Å; C122-P152 HydrophobicContact CB-CB 3.94Å; Y148-P152 WeakPolarHBondContact O-CD 3.39Å; Y148-P152 WeakPolarHBondContact O-CG 3.23Å; L149-P152 WeakPolarHBondContact O-CD 3.45Å; P152-R154 PolarHBondContact O-N 2.83Å; P152-K155 PolarHBondContact O-N 2.88Å; P152-C156 WeakPolarHBondContact O-CB 3.38Å; P152-C156 PolarHBondContact O-N 3.42Å; P152-C156 PolarHBondContact O-SG 3.28Å |
| 153 | L | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | -178.9 | -179.6 | 59.2 | 0 | 0 | 0 | 111.3 | V134 L149 C150 D151 K155 C156 L157 A168 C171 V172 L175 F188 | V134-L153 HydrophobicContact CG2-CB 4.47Å; V134-L153 HydrophobicContact CG2-CD1 3.82Å; L149-L153 HydrophobicContact CD1-CB 4.12Å; L149-L153 HydrophobicContact CG-CB 4.22Å; L149-L153 HydrophobicContact CG-CD2 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 PolarHBondContact O-N 3.28Å; C150-L153 PolarHBondContact O-N 3.46Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.47Å; L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.81Å; L153-C156 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CD1-CG 4.49Å; L153-L157 HydrophobicContact CG-CD1 4.36Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 2.82Å; L153-A168 HydrophobicContact CD1-CB 4.02Å; L153-A168 WeakPolarHBondContact CD1-O 3.43Å; L153-C171 HydrophobicContact CD1-CB 3.76Å; L153-V172 HydrophobicContact CD1-CG2 4.33Å; L153-V172 HydrophobicContact CD2-CG2 4.13Å; L153-V172 HydrophobicContact CG-CG2 4.42Å; L153-L175 HydrophobicContact CD2-CD2 3.75Å; L153-F188 HydrophobicContact CB-CE1 4.18Å; L153-F188 HydrophobicContact CB-CZ 4.35Å; L153-F188 HydrophobicContact CD2-CD1 4.27Å; L153-F188 HydrophobicContact CD2-CE1 3.98Å; L153-F188 HydrophobicContact CD2-CZ 4.17Å; L153-F188 HydrophobicContact CG-CD1 4.39Å; L153-F188 HydrophobicContact CG-CE1 3.89Å; L153-F188 HydrophobicContact CG-CZ 4.37Å |
| 154 | R | 95 | Very high | 90.5 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.7 | -170.6 | -179.8 | -55.9 | -80.8 | -0.5 | 111.9 | C150 D151 P152 S186 F188 L191 | C150-R154 WeakPolarHBondContact O-CB 3.37Å; C150-R154 PolarHBondContact O-N 3.32Å; D151-R154 PolarHBondContact O-N 2.87Å; P152-R154 PolarHBondContact O-N 2.83Å; R154-S186 VanDerWaalsContact CZ-O 3.28Å; R154-S186 PolarHBondContact NH1-O 3.21Å; R154-S186 PolarHBondContact NH2-O 3.17Å; R154-F188 HydrophobicContact CB-CE1 3.95Å; R154-F188 HydrophobicContact CB-CZ 4.4Å; R154-L191 HydrophobicContact CG-CD1 3.88Å |
| 155 | K | 94.4 | Very high | 91.6 | Very high | 120 Ų | 120 | 53 Ų | 53 | 52% | 0.522 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -46.3 | 175.6 | -169.8 | 178.3 | -178.7 | -179.6 | 0 | 111.3 | D123 D151 P152 L153 L157 K158 D159 | D123-K155 WeakPolarHBondContact OD1-CE 3.4Å; D123-K155 IonicContact OD1-NZ 3.82Å; D123-K155 PolarHBondContact OD1-NZ 2.86Å; D123-K155 IonicContact OD2-NZ 3.47Å; D151-K155 PolarHBondContact O-N 2.8Å; P152-K155 PolarHBondContact O-N 2.88Å; L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.81Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.84Å; K155-K158 CarbonylContact O-C 3.52Å; K155-K158 PolarHBondContact O-N 3.41Å; K155-D159 PolarHBondContact O-N 2.85Å |
| 156 | C | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -29.5 | 179.6 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | V134 P152 L153 K158 D159 V164 A168 | V134-C156 HydrophobicContact CG1-CB 4.47Å; V134-C156 HydrophobicContact CG2-CB 4.36Å; P152-C156 WeakPolarHBondContact O-CB 3.38Å; P152-C156 PolarHBondContact O-N 3.42Å; P152-C156 PolarHBondContact O-SG 3.28Å; L153-C156 PolarHBondContact O-N 3.23Å; C156-K158 PolarHBondContact O-N 2.74Å; C156-D159 WeakPolarHBondContact O-CB 3.34Å; C156-D159 PolarHBondContact O-N 2.82Å; C156-V164 HydrophobicContact CB-CG1 3.74Å; C156-A168 HydrophobicContact CB-CB 3.79Å |
| 157 | L | 95.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -24 | 172.7 | -73.9 | 167.1 | 0 | 0 | 0 | 112.6 | L153 K155 R165 A168 V172 F188 L191 L195 | L153-L157 HydrophobicContact CD1-CG 4.49Å; L153-L157 HydrophobicContact CG-CD1 4.36Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 2.82Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.84Å; L157-R165 WeakPolarHBondContact O-CD 3.45Å; L157-A168 HydrophobicContact CD2-CB 3.78Å; L157-A168 HydrophobicContact CG-CB 3.98Å; L157-V172 HydrophobicContact CD1-CG2 3.96Å; L157-V172 HydrophobicContact CD2-CG2 3.99Å; L157-V172 HydrophobicContact CG-CG2 4.48Å; L157-F188 HydrophobicContact CD1-CD1 3.65Å; L157-F188 HydrophobicContact CD1-CE1 4.05Å; L157-L191 HydrophobicContact CD1-CB 3.94Å; L157-L191 HydrophobicContact CD1-CD1 3.93Å; L157-L195 HydrophobicContact CD2-CD1 3.61Å |
| 158 | K | 95.1 | Very high | 93.7 | Very high | 145 Ų | 145 | 51.7 Ų | 51.7 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 19.5 | 178.4 | -59 | -175.7 | -179.4 | -175.1 | 0 | 112.6 | K155 C156 L191 | K155-K158 CarbonylContact O-C 3.52Å; K155-K158 PolarHBondContact O-N 3.41Å; C156-K158 PolarHBondContact O-N 2.74Å; K158-L191 VanDerWaalsContact CE-CD2 3.49Å |
| 159 | D | 96.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | trans | -65.6 | 150.6 | 179.9 | -160.2 | -76.3 | 0 | 0 | 0 | 110.9 | R130 K155 C156 D161 V164 R165 | R130-D159 IonicContact CZ-OD1 2.91Å; R130-D159 IonicContact CZ-OD2 3.38Å; R130-D159 IonicContact NE-OD1 2.62Å; R130-D159 IonicContact NE-OD2 2.8Å; R130-D159 PolarHBondContact NE-OD2 2.99Å; R130-D159 IonicContact NH2-OD1 3.73Å; R130-D159 PolarHBondContact NH2-OD1 3.16Å; R130-D159 IonicContact NH2-OD2 3.69Å; R130-D159 PolarHBondContact NH2-OD2 2.8Å; K155-D159 PolarHBondContact O-N 2.85Å; C156-D159 WeakPolarHBondContact O-CB 3.34Å; C156-D159 PolarHBondContact O-N 2.82Å; D159-D161 VanDerWaalsContact C-N 3.25Å; D159-D161 PolarHBondContact O-N 2.92Å; D159-D161 WeakPolarHBondContact OD1-CB 3.36Å; D159-D161 PolarHBondContact OD1-N 3Å; D159-V164 HydrophobicContact CB-CB 3.78Å; D159-V164 HydrophobicContact CB-CG1 3.66Å; D159-R165 HydrophobicContact CB-CG 4.19Å; D159-R165 WeakPolarHBondContact O-CD 3.27Å; D159-R165 VanDerWaalsContact O-CG 3.31Å; D159-R165 WeakPolarHBondContact O-CG 3.37Å; D159-R165 PolarHBondContact O-NH1 3.42Å | ||
| 160 | E | 94 | Very high | 94.4 | Very high | 176 Ų | 176 | 47.8 Ų | 47.8 | 82% | 0.822 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -63.8 | -34.2 | 175.6 | -62.3 | -63.2 | 156.1 | 0 | 0 | 111.5 | R165 | E160-R165 VanDerWaalsContact C-NH1 3.33Å; E160-R165 PolarHBondContact O-NH1 3.14Å |
| 161 | D | 96 | Very high | 94.5 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -86.2 | 123.2 | -175.4 | -169.9 | -72.8 | 0 | 0 | 0 | 112.2 | P127 D159 Y163 V164 R165 | P127-D161 HydrophobicContact CB-CB 3.81Å; D159-D161 VanDerWaalsContact C-N 3.25Å; D159-D161 PolarHBondContact O-N 2.92Å; D159-D161 WeakPolarHBondContact OD1-CB 3.36Å; D159-D161 PolarHBondContact OD1-N 3Å; D161-Y163 VanDerWaalsContact C-N 3.25Å; D161-Y163 PolarHBondContact O-N 3.36Å; D161-Y163 WeakPolarHBondContact OD1-CA 3.4Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.46Å; D161-Y163 PolarHBondContact OD1-N 3.04Å; D161-V164 HydrophobicContact CB-CB 4.5Å; D161-V164 HydrophobicContact CB-CG2 4.02Å; D161-V164 PolarHBondContact O-N 3.24Å; D161-V164 VanDerWaalsContact O-N 3.1Å; D161-V164 PolarHBondContact OD1-N 3.38Å; D161-R165 PolarHBondContact O-N 3.32Å |
| 162 | P | 93.1 | Very high | 94.6 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -28.6 | 179.5 | -23.4 | 33.1 | 0 | 0 | 0 | 114.4 | V164 R165 K166 N200 V203 | P162-V164 VanDerWaalsContact C-N 3.3Å; P162-R165 PolarHBondContact O-N 3.39Å; P162-K166 WeakPolarHBondContact O-CB 3.32Å; P162-K166 WeakPolarHBondContact O-CG 3.45Å; P162-K166 PolarHBondContact O-N 3.15Å; P162-N200 HydrophobicContact CB-CB 3.82Å; P162-N200 HydrophobicContact CG-CB 4.16Å; P162-V203 HydrophobicContact CB-CG2 3.93Å; P162-V203 WeakPolarHBondContact O-CG2 3.45Å |
| 163 | Y | 92.6 | Very high | 94.5 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.9 | -35 | 176.9 | -173.4 | -86.9 | 0 | 0 | 0 | 111.4 | L128 A131 D161 K166 T167 | L128-Y163 HydrophobicContact CD2-CD1 4.05Å; L128-Y163 HydrophobicContact CD2-CE1 3.9Å; A131-Y163 HydrophobicContact CB-CD1 3.55Å; A131-Y163 HydrophobicContact CB-CE1 3.54Å; D161-Y163 VanDerWaalsContact C-N 3.25Å; D161-Y163 PolarHBondContact O-N 3.36Å; D161-Y163 WeakPolarHBondContact OD1-CA 3.4Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.46Å; D161-Y163 PolarHBondContact OD1-N 3.04Å; Y163-K166 HydrophobicContact CD2-CD 4.46Å; Y163-K166 VanDerWaalsContact CE2-CE 3.5Å; Y163-K166 VanDerWaalsContact O-CG 3.29Å; Y163-K166 WeakPolarHBondContact O-CG 3.49Å; Y163-T167 WeakPolarHBondContact O-CB 3.36Å; Y163-T167 PolarHBondContact O-N 3.04Å; Y163-T167 PolarHBondContact O-OG1 3.31Å |
| 164 | V | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -48.5 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | P127 R130 A131 C156 D159 D161 P162 K166 T167 A168 | P127-V164 HydrophobicContact CB-CG2 3.78Å; P127-V164 WeakPolarHBondContact O-CG2 3.46Å; R130-V164 HydrophobicContact CB-CG1 4.41Å; R130-V164 HydrophobicContact CB-CG2 4.18Å; A131-V164 HydrophobicContact CB-CG2 4.17Å; C156-V164 HydrophobicContact CB-CG1 3.74Å; D159-V164 HydrophobicContact CB-CB 3.78Å; D159-V164 HydrophobicContact CB-CG1 3.66Å; D161-V164 HydrophobicContact CB-CB 4.5Å; D161-V164 HydrophobicContact CB-CG2 4.02Å; D161-V164 PolarHBondContact O-N 3.24Å; D161-V164 VanDerWaalsContact O-N 3.1Å; D161-V164 PolarHBondContact OD1-N 3.38Å; P162-V164 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 3.26Å; V164-T167 PolarHBondContact O-N 3.28Å; V164-T167 VanDerWaalsContact O-N 3.11Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 2.85Å |
| 165 | R | 97.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 179.3 | -64 | -161.2 | -59.5 | -82.7 | 4.8 | 113.2 | L157 D159 E160 D161 P162 T167 A168 A169 D198 V203 | L157-R165 WeakPolarHBondContact O-CD 3.45Å; D159-R165 HydrophobicContact CB-CG 4.19Å; D159-R165 WeakPolarHBondContact O-CD 3.27Å; D159-R165 VanDerWaalsContact O-CG 3.31Å; D159-R165 WeakPolarHBondContact O-CG 3.37Å; D159-R165 PolarHBondContact O-NH1 3.42Å; E160-R165 VanDerWaalsContact C-NH1 3.33Å; E160-R165 PolarHBondContact O-NH1 3.14Å; D161-R165 PolarHBondContact O-N 3.32Å; P162-R165 PolarHBondContact O-N 3.39Å; R165-T167 VanDerWaalsContact C-N 3.27Å; R165-T167 PolarHBondContact O-N 3.46Å; R165-A168 WeakPolarHBondContact O-CB 3.18Å; R165-A168 PolarHBondContact O-N 3.44Å; R165-A169 PolarHBondContact O-N 2.91Å; R165-D198 IonicContact CZ-OD1 3.9Å; R165-D198 IonicContact CZ-OD2 2.71Å; R165-D198 IonicContact NE-OD1 2.8Å; R165-D198 IonicContact NE-OD2 2.88Å; R165-D198 PolarHBondContact NE-OD2 2.81Å; R165-D198 IonicContact NH2-OD1 3.5Å; R165-D198 PolarHBondContact NH2-OD1 3.28Å; R165-D198 IonicContact NH2-OD2 3.83Å; R165-D198 PolarHBondContact NH2-OD2 3.08Å; R165-D198 VanDerWaalsContact NH2-OD2 3.13Å; R165-V203 HydrophobicContact CB-CG1 4.08Å; R165-V203 HydrophobicContact CB-CG2 4.1Å |
| 166 | K | 93.7 | Very high | 93.8 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 14% | 0.135 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 176.9 | 76.5 | -177.9 | -174.8 | -177.2 | 0 | 111.9 | P162 Y163 V164 A169 V170 M202 V203 N206 | P162-K166 WeakPolarHBondContact O-CB 3.32Å; P162-K166 WeakPolarHBondContact O-CG 3.45Å; P162-K166 PolarHBondContact O-N 3.15Å; Y163-K166 HydrophobicContact CD2-CD 4.46Å; Y163-K166 VanDerWaalsContact CE2-CE 3.5Å; Y163-K166 VanDerWaalsContact O-CG 3.29Å; Y163-K166 WeakPolarHBondContact O-CG 3.49Å; V164-K166 PolarHBondContact O-N 3.26Å; K166-A169 PolarHBondContact O-N 3.44Å; K166-V170 PolarHBondContact O-N 2.91Å; K166-M202 HydrophobicContact CD-CB 4.36Å; K166-V203 HydrophobicContact CB-CB 4.49Å; K166-V203 HydrophobicContact CB-CG2 4.05Å; K166-N206 HydrophobicContact CB-CB 4.24Å |
| 167 | T | 92.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.2 | -37.7 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | A131 V134 R135 Y163 V164 R165 C171 | A131-T167 HydrophobicContact CB-CG2 4.22Å; A131-T167 WeakPolarHBondContact O-CG2 3.43Å; V134-T167 HydrophobicContact CG1-CG2 4.19Å; R135-T167 HydrophobicContact CB-CG2 3.68Å; R135-T167 HydrophobicContact CG-CG2 4.21Å; Y163-T167 WeakPolarHBondContact O-CB 3.36Å; Y163-T167 PolarHBondContact O-N 3.04Å; Y163-T167 PolarHBondContact O-OG1 3.31Å; V164-T167 PolarHBondContact O-N 3.28Å; V164-T167 VanDerWaalsContact O-N 3.11Å; R165-T167 VanDerWaalsContact C-N 3.27Å; R165-T167 PolarHBondContact O-N 3.46Å; T167-C171 PolarHBondContact O-N 2.88Å |
| 168 | A | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L153 C156 L157 V164 R165 V170 C171 V172 | L153-A168 HydrophobicContact CD1-CB 4.02Å; L153-A168 WeakPolarHBondContact CD1-O 3.43Å; C156-A168 HydrophobicContact CB-CB 3.79Å; L157-A168 HydrophobicContact CD2-CB 3.78Å; L157-A168 HydrophobicContact CG-CB 3.98Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 2.85Å; R165-A168 WeakPolarHBondContact O-CB 3.18Å; R165-A168 PolarHBondContact O-N 3.44Å; A168-V170 PolarHBondContact O-N 3.33Å; A168-C171 WeakPolarHBondContact O-CA 3.33Å; A168-C171 VanDerWaalsContact O-CB 3.27Å; A168-C171 WeakPolarHBondContact O-CB 3.31Å; A168-C171 PolarHBondContact O-N 3.45Å; A168-V172 PolarHBondContact O-N 3.35Å; A168-V172 VanDerWaalsContact O-N 3.08Å |
| 169 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.2 | -50 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R165 K166 C171 V172 L192 L195 N206 S210 | R165-A169 PolarHBondContact O-N 2.91Å; K166-A169 PolarHBondContact O-N 3.44Å; A169-C171 PolarHBondContact O-N 2.96Å; A169-V172 WeakPolarHBondContact O-CB 3.45Å; A169-V172 PolarHBondContact O-N 3.21Å; A169-V172 VanDerWaalsContact O-N 3.1Å; A169-L192 HydrophobicContact CB-CD1 3.86Å; A169-L195 HydrophobicContact CB-CD1 3.82Å; A169-N206 HydrophobicContact CB-CB 4.48Å; A169-S210 PolarHBondContact O-OG 3.06Å |
| 170 | V | 93.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.2 | -33.6 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | K166 A168 V172 A173 K174 N206 S210 | K166-V170 PolarHBondContact O-N 2.91Å; A168-V170 PolarHBondContact O-N 3.33Å; V170-V172 VanDerWaalsContact C-N 3.3Å; V170-V172 PolarHBondContact O-N 2.85Å; V170-A173 PolarHBondContact O-N 3.48Å; V170-K174 PolarHBondContact O-N 3.09Å; V170-N206 HydrophobicContact CG2-CB 4.08Å; V170-N206 WeakPolarHBondContact CG2-OD1 3.32Å; V170-S210 WeakPolarHBondContact CA-OG 3.44Å; V170-S210 PolarHBondContact N-OG 3.5Å |
| 171 | C | 93 | Very high | 91.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -30.2 | 177.7 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | V134 G138 L153 T167 A168 A169 K174 L175 | V134-C171 HydrophobicContact CG2-CB 4.37Å; V134-C171 PolarHBondContact O-SG 3.36Å; G138-C171 VanDerWaalsContact CA-SG 3.59Å; L153-C171 HydrophobicContact CD1-CB 3.76Å; T167-C171 PolarHBondContact O-N 2.88Å; A168-C171 WeakPolarHBondContact O-CA 3.33Å; A168-C171 VanDerWaalsContact O-CB 3.27Å; A168-C171 WeakPolarHBondContact O-CB 3.31Å; A168-C171 PolarHBondContact O-N 3.45Å; A169-C171 PolarHBondContact O-N 2.96Å; C171-K174 PolarHBondContact O-N 3.31Å; C171-L175 WeakPolarHBondContact O-CB 3.36Å; C171-L175 PolarHBondContact O-N 3.17Å |
| 172 | V | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L153 L157 A168 A169 V170 K174 L175 H176 V183 F188 L192 I214 | L153-V172 HydrophobicContact CD1-CG2 4.33Å; L153-V172 HydrophobicContact CD2-CG2 4.13Å; L153-V172 HydrophobicContact CG-CG2 4.42Å; L157-V172 HydrophobicContact CD1-CG2 3.96Å; L157-V172 HydrophobicContact CD2-CG2 3.99Å; L157-V172 HydrophobicContact CG-CG2 4.48Å; A168-V172 PolarHBondContact O-N 3.35Å; A168-V172 VanDerWaalsContact O-N 3.08Å; A169-V172 WeakPolarHBondContact O-CB 3.45Å; A169-V172 PolarHBondContact O-N 3.21Å; A169-V172 VanDerWaalsContact O-N 3.1Å; V170-V172 VanDerWaalsContact C-N 3.3Å; V170-V172 PolarHBondContact O-N 2.85Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.38Å; V172-L175 PolarHBondContact O-N 2.94Å; V172-H176 WeakPolarHBondContact O-CB 3.31Å; V172-H176 PolarHBondContact O-N 3.26Å; V172-V183 HydrophobicContact CG1-CG1 4.09Å; V172-F188 HydrophobicContact CG1-CB 4.08Å; V172-L192 HydrophobicContact CB-CD2 4.35Å; V172-L192 HydrophobicContact CG1-CB 4.49Å; V172-L192 HydrophobicContact CG1-CD2 3.99Å; V172-I214 HydrophobicContact CG1-CD1 4.27Å |
| 173 | A | 91 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V170 H176 D177 I214 | V170-A173 PolarHBondContact O-N 3.48Å; A173-H176 PolarHBondContact O-N 2.95Å; A173-D177 PolarHBondContact O-N 2.7Å; A173-I214 HydrophobicContact CB-CD1 4.36Å; A173-I214 HydrophobicContact CB-CG1 4.22Å |
| 174 | K | 89.8 | Confident | 91.2 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 17% | 0.174 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 175.8 | -68.9 | -177.9 | 177.1 | -176.1 | 0 | 113.2 | C139 V170 C171 V172 D177 I178 | C139-K174 PolarHBondContact SG-NZ 2.9Å; V170-K174 PolarHBondContact O-N 3.09Å; C171-K174 PolarHBondContact O-N 3.31Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.38Å; K174-D177 PolarHBondContact O-N 3.39Å; K174-I178 WeakPolarHBondContact O-CD1 3.49Å; K174-I178 WeakPolarHBondContact O-CG1 3.48Å; K174-I178 PolarHBondContact O-N 3.36Å |
| 175 | L | 90.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 176.1 | -176.3 | 58 | 0 | 0 | 0 | 110.6 | T146 L149 L153 C171 V172 D177 I178 D179 V183 F188 | T146-L175 HydrophobicContact CG2-CD1 3.88Å; L149-L175 HydrophobicContact CD2-CD1 4.36Å; L153-L175 HydrophobicContact CD2-CD2 3.75Å; C171-L175 WeakPolarHBondContact O-CB 3.36Å; C171-L175 PolarHBondContact O-N 3.17Å; V172-L175 PolarHBondContact O-N 2.94Å; L175-D177 VanDerWaalsContact C-N 3.32Å; L175-D177 PolarHBondContact O-N 2.88Å; L175-I178 PolarHBondContact O-N 3.08Å; L175-D179 PolarHBondContact O-N 2.59Å; L175-V183 HydrophobicContact CB-CG2 3.96Å; L175-V183 HydrophobicContact CD2-CG2 3.89Å; L175-V183 HydrophobicContact CG-CG2 3.56Å; L175-F188 HydrophobicContact CD2-CD2 4.44Å; L175-F188 HydrophobicContact CD2-CE2 4.23Å |
| 176 | H | 89.3 | Confident | 90.4 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 176.4 | -177.2 | -81 | 0 | 0 | 0 | 112.4 | V172 A173 I178 A180 V183 I214 | V172-H176 WeakPolarHBondContact O-CB 3.31Å; V172-H176 PolarHBondContact O-N 3.26Å; A173-H176 PolarHBondContact O-N 2.95Å; H176-I178 PolarHBondContact O-N 3Å; H176-A180 PolarHBondContact O-N 3.19Å; H176-V183 HydrophobicContact CB-CB 4.38Å; H176-V183 HydrophobicContact CB-CG1 4.28Å; H176-V183 HydrophobicContact CB-CG2 4.07Å; H176-I214 HydrophobicContact CB-CD1 4.41Å; H176-I214 HydrophobicContact CB-CG1 4.14Å |
| 177 | D | 87.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -24.3 | 171.7 | -173.1 | 37 | 0 | 0 | 0 | 113.2 | R141 A173 K174 L175 M217 | R141-D177 IonicContact CZ-OD2 2.93Å; R141-D177 IonicContact NH1-OD2 2.7Å; R141-D177 PolarHBondContact NH1-OD2 3.06Å; R141-D177 IonicContact NH2-OD1 3.01Å; R141-D177 IonicContact NH2-OD2 3.27Å; R141-D177 PolarHBondContact NH2-OD2 3.44Å; A173-D177 PolarHBondContact O-N 2.7Å; K174-D177 PolarHBondContact O-N 3.39Å; L175-D177 VanDerWaalsContact C-N 3.32Å; L175-D177 PolarHBondContact O-N 2.88Å; D177-M217 HydrophobicContact CB-CE 3.64Å; D177-M217 WeakPolarHBondContact OD1-CE 3.46Å |
| 178 | I | 86 | Confident | 90.3 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -92.8 | -49.5 | 178.8 | -57 | 157.9 | 0 | 0 | 0 | 110.5 | R141 T146 K174 L175 H176 | R141-I178 HydrophobicContact CB-CD1 4.24Å; R141-I178 HydrophobicContact CB-CG1 4.38Å; R141-I178 HydrophobicContact CG-CD1 4Å; R141-I178 HydrophobicContact CG-CG1 4.17Å; T146-I178 HydrophobicContact CG2-CB 4.28Å; T146-I178 HydrophobicContact CG2-CD1 4.19Å; T146-I178 HydrophobicContact CG2-CG2 3.65Å; K174-I178 WeakPolarHBondContact O-CD1 3.49Å; K174-I178 WeakPolarHBondContact O-CG1 3.48Å; K174-I178 PolarHBondContact O-N 3.36Å; L175-I178 PolarHBondContact O-N 3.08Å; H176-I178 PolarHBondContact O-N 3Å |
| 179 | D | 87.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | trans | -146.5 | 89.7 | -175.8 | -171.3 | -15.9 | 0 | 0 | 0 | 110 | L175 Q181 L182 V183 | L175-D179 PolarHBondContact O-N 2.59Å; D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact OD1-N 2.95Å; D179-L182 HydrophobicContact CB-CB 4Å; D179-L182 WeakPolarHBondContact OD1-CB 3.11Å; D179-L182 PolarHBondContact OD1-N 3.28Å; D179-L182 WeakPolarHBondContact OD2-CB 3.24Å; D179-V183 WeakPolarHBondContact O-CG2 3.45Å; D179-V183 PolarHBondContact O-N 3.39Å | ||
| 180 | A | 87.7 | Confident | 90.1 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 30% | 0.298 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | H176 L182 V183 E184 | H176-A180 PolarHBondContact O-N 3.19Å; A180-L182 PolarHBondContact O-N 2.98Å; A180-V183 PolarHBondContact O-N 2.82Å; A180-V183 VanDerWaalsContact O-N 3.16Å; A180-E184 PolarHBondContact O-N 3.39Å |
| 181 | Q | 87.2 | Confident | 90.2 | Very high | 110 Ų | 110 | 33.4 Ų | 33.4 | 51% | 0.514 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.7 | -44.7 | -177.8 | -173.6 | 62.8 | 40.3 | 0 | 0 | 110.9 | D179 V183 E184 D185 | D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact OD1-N 2.95Å; Q181-V183 VanDerWaalsContact C-N 3.27Å; Q181-V183 PolarHBondContact O-N 3.01Å; Q181-E184 PolarHBondContact O-N 3.26Å; Q181-D185 WeakPolarHBondContact CG-OD2 3.22Å; Q181-D185 VanDerWaalsContact NE2-CG 3.26Å; Q181-D185 PolarHBondContact NE2-OD1 3.39Å; Q181-D185 PolarHBondContact NE2-OD2 2.84Å; Q181-D185 WeakPolarHBondContact O-CB 3.24Å; Q181-D185 VanDerWaalsContact O-CG 3.31Å; Q181-D185 PolarHBondContact O-N 3.28Å |
| 182 | L | 89.3 | Confident | 90.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -37.1 | 175.7 | 178.9 | 63.9 | 0 | 0 | 0 | 112.4 | D179 A180 S186 | D179-L182 HydrophobicContact CB-CB 4Å; D179-L182 WeakPolarHBondContact OD1-CB 3.11Å; D179-L182 PolarHBondContact OD1-N 3.28Å; D179-L182 WeakPolarHBondContact OD2-CB 3.24Å; A180-L182 PolarHBondContact O-N 2.98Å; L182-S186 WeakPolarHBondContact O-CB 3.29Å; L182-S186 PolarHBondContact O-N 3.35Å; L182-S186 PolarHBondContact O-OG 3.24Å |
| 183 | V | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V172 L175 H176 D179 A180 Q181 G187 F188 L189 | V172-V183 HydrophobicContact CG1-CG1 4.09Å; L175-V183 HydrophobicContact CB-CG2 3.96Å; L175-V183 HydrophobicContact CD2-CG2 3.89Å; L175-V183 HydrophobicContact CG-CG2 3.56Å; H176-V183 HydrophobicContact CB-CB 4.38Å; H176-V183 HydrophobicContact CB-CG1 4.28Å; H176-V183 HydrophobicContact CB-CG2 4.07Å; D179-V183 WeakPolarHBondContact O-CG2 3.45Å; D179-V183 PolarHBondContact O-N 3.39Å; A180-V183 PolarHBondContact O-N 2.82Å; A180-V183 VanDerWaalsContact O-N 3.16Å; Q181-V183 VanDerWaalsContact C-N 3.27Å; Q181-V183 PolarHBondContact O-N 3.01Å; V183-G187 PolarHBondContact O-N 2.86Å; V183-F188 HydrophobicContact CG1-CB 3.77Å; V183-F188 PolarHBondContact O-N 2.84Å; V183-F188 VanDerWaalsContact O-N 3.1Å; V183-L189 HydrophobicContact CG1-CD2 3.58Å; V183-L189 HydrophobicContact CG1-CG 4.17Å |
| 184 | E | 88.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -52.3 | 176.3 | -71.5 | -175.1 | -149.6 | 0 | 0 | 111.1 | A180 Q181 S186 G187 L189 S220 | A180-E184 PolarHBondContact O-N 3.39Å; Q181-E184 PolarHBondContact O-N 3.26Å; E184-S186 VanDerWaalsContact C-N 3.25Å; E184-S186 PolarHBondContact O-N 3.47Å; E184-G187 PolarHBondContact O-N 2.85Å; E184-L189 HydrophobicContact CG-CD1 3.77Å; E184-L189 HydrophobicContact CG-CG 4.49Å; E184-S220 WeakPolarHBondContact OE1-CB 3.17Å; E184-S220 PolarHBondContact OE1-OG 3.07Å; E184-S220 PolarHBondContact OE2-OG 3.18Å |
| 185 | D | 88.1 | Confident | 90.5 | Very high | 120 Ų | 120 | 40.2 Ų | 40.2 | 64% | 0.642 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.2 | -30.1 | -177.7 | -69.8 | -21.5 | 0 | 0 | 0 | 112.8 | Q181 G187 | Q181-D185 WeakPolarHBondContact CG-OD2 3.22Å; Q181-D185 VanDerWaalsContact NE2-CG 3.26Å; Q181-D185 PolarHBondContact NE2-OD1 3.39Å; Q181-D185 PolarHBondContact NE2-OD2 2.84Å; Q181-D185 WeakPolarHBondContact O-CB 3.24Å; Q181-D185 VanDerWaalsContact O-CG 3.31Å; Q181-D185 PolarHBondContact O-N 3.28Å; D185-G187 VanDerWaalsContact C-N 3.26Å; D185-G187 PolarHBondContact O-N 2.97Å |
| 186 | S | 88.8 | Confident | 90.6 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.3 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | R154 L182 E184 F188 | R154-S186 VanDerWaalsContact CZ-O 3.28Å; R154-S186 PolarHBondContact NH1-O 3.21Å; R154-S186 PolarHBondContact NH2-O 3.17Å; L182-S186 WeakPolarHBondContact O-CB 3.29Å; L182-S186 PolarHBondContact O-N 3.35Å; L182-S186 PolarHBondContact O-OG 3.24Å; E184-S186 VanDerWaalsContact C-N 3.25Å; E184-S186 PolarHBondContact O-N 3.47Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 2.85Å |
| 187 | G | 90.9 | Very high | 90.6 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 36 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V183 E184 D185 L189 E190 | V183-G187 PolarHBondContact O-N 2.86Å; E184-G187 PolarHBondContact O-N 2.85Å; D185-G187 VanDerWaalsContact C-N 3.26Å; D185-G187 PolarHBondContact O-N 2.97Å; G187-L189 VanDerWaalsContact C-N 3.35Å; G187-E190 WeakPolarHBondContact CA-OE2 3.32Å |
| 188 | F | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.9 | -24.3 | 175.4 | -78.8 | -64.2 | 0 | 0 | 0 | 112.3 | C150 L153 R154 L157 V172 L175 V183 S186 L191 L192 | C150-F188 HydrophobicContact CB-CE2 4.16Å; C150-F188 HydrophobicContact CB-CZ 4.07Å; C150-F188 WeakPolarHBondContact O-CZ 3.29Å; L153-F188 HydrophobicContact CB-CE1 4.18Å; L153-F188 HydrophobicContact CB-CZ 4.35Å; L153-F188 HydrophobicContact CD2-CD1 4.27Å; L153-F188 HydrophobicContact CD2-CE1 3.98Å; L153-F188 HydrophobicContact CD2-CZ 4.17Å; L153-F188 HydrophobicContact CG-CD1 4.39Å; L153-F188 HydrophobicContact CG-CE1 3.89Å; L153-F188 HydrophobicContact CG-CZ 4.37Å; R154-F188 HydrophobicContact CB-CE1 3.95Å; R154-F188 HydrophobicContact CB-CZ 4.4Å; L157-F188 HydrophobicContact CD1-CD1 3.65Å; L157-F188 HydrophobicContact CD1-CE1 4.05Å; V172-F188 HydrophobicContact CG1-CB 4.08Å; L175-F188 HydrophobicContact CD2-CD2 4.44Å; L175-F188 HydrophobicContact CD2-CE2 4.23Å; V183-F188 HydrophobicContact CG1-CB 3.77Å; V183-F188 PolarHBondContact O-N 2.84Å; V183-F188 VanDerWaalsContact O-N 3.1Å; S186-F188 VanDerWaalsContact C-N 3.32Å; S186-F188 PolarHBondContact O-N 2.85Å; F188-L191 HydrophobicContact CD1-CD1 4.19Å; F188-L191 PolarHBondContact O-N 2.82Å; F188-L192 WeakPolarHBondContact O-CB 3.45Å; F188-L192 PolarHBondContact O-N 3.37Å |
| 189 | L | 93 | Very high | 91.1 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 178.9 | -59.6 | -168.7 | 0 | 0 | 0 | 111.4 | V183 E184 G187 L192 R193 I214 A223 L227 | V183-L189 HydrophobicContact CG1-CD2 3.58Å; V183-L189 HydrophobicContact CG1-CG 4.17Å; E184-L189 HydrophobicContact CG-CD1 3.77Å; E184-L189 HydrophobicContact CG-CG 4.49Å; G187-L189 VanDerWaalsContact C-N 3.35Å; L189-L192 PolarHBondContact O-N 2.75Å; L189-R193 PolarHBondContact O-N 3.49Å; L189-I214 HydrophobicContact CD2-CD1 4.24Å; L189-I214 HydrophobicContact CD2-CG2 4.43Å; L189-A223 HydrophobicContact CD1-CB 3.54Å; L189-L227 HydrophobicContact CB-CD2 4.34Å; L189-L227 HydrophobicContact CD2-CD1 4.26Å |
| 190 | E | 93.7 | Very high | 91.4 | Very high | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.9 | -65.8 | 81.4 | 174.6 | 0 | 0 | 110.9 | G187 L192 R193 D194 | G187-E190 WeakPolarHBondContact CA-OE2 3.32Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.44Å; E190-R193 WeakPolarHBondContact O-CB 3.49Å; E190-R193 PolarHBondContact O-N 3.07Å; E190-R193 VanDerWaalsContact O-N 3.17Å; E190-D194 PolarHBondContact O-N 3.05Å |
| 191 | L | 94.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 175.5 | -66.4 | 177.6 | 0 | 0 | 0 | 111.8 | R154 L157 K158 F188 D194 L195 | R154-L191 HydrophobicContact CG-CD1 3.88Å; L157-L191 HydrophobicContact CD1-CB 3.94Å; L157-L191 HydrophobicContact CD1-CD1 3.93Å; K158-L191 VanDerWaalsContact CE-CD2 3.49Å; F188-L191 HydrophobicContact CD1-CD1 4.19Å; F188-L191 PolarHBondContact O-N 2.82Å; L191-D194 PolarHBondContact O-N 2.99Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.93Å |
| 192 | L | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 176 | -172.9 | 63.3 | 0 | 0 | 0 | 111.5 | A169 V172 F188 L189 E190 L195 A207 I211 I214 | A169-L192 HydrophobicContact CB-CD1 3.86Å; V172-L192 HydrophobicContact CB-CD2 4.35Å; V172-L192 HydrophobicContact CG1-CB 4.49Å; V172-L192 HydrophobicContact CG1-CD2 3.99Å; F188-L192 WeakPolarHBondContact O-CB 3.45Å; F188-L192 PolarHBondContact O-N 3.37Å; L189-L192 PolarHBondContact O-N 2.75Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.44Å; L192-L195 WeakPolarHBondContact O-CB 3.28Å; L192-L195 PolarHBondContact O-N 2.98Å; L192-A207 HydrophobicContact CD1-CB 4.22Å; L192-I211 HydrophobicContact CD2-CG1 3.62Å; L192-I211 HydrophobicContact CG-CD1 4.15Å; L192-I211 HydrophobicContact CG-CG1 3.74Å; L192-I214 HydrophobicContact CD2-CD1 3.56Å |
| 193 | R | 92.6 | Very high | 91.8 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 26% | 0.26 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 172.8 | -171.2 | -173.4 | -177.2 | 131 | -1.2 | 111.4 | L189 E190 L195 L196 L226 D230 | L189-R193 PolarHBondContact O-N 3.49Å; E190-R193 WeakPolarHBondContact O-CB 3.49Å; E190-R193 PolarHBondContact O-N 3.07Å; E190-R193 VanDerWaalsContact O-N 3.17Å; R193-L195 PolarHBondContact O-N 3.02Å; R193-L196 HydrophobicContact CG-CD1 4.33Å; R193-L196 VanDerWaalsContact O-CB 3.23Å; R193-L196 WeakPolarHBondContact O-CB 3.44Å; R193-L196 WeakPolarHBondContact O-CG 3.48Å; R193-L196 PolarHBondContact O-N 3.35Å; R193-L226 VanDerWaalsContact CD-O 3.3Å; R193-L226 WeakPolarHBondContact CD-O 3.36Å; R193-L226 PolarHBondContact NH1-O 3.37Å; R193-D230 IonicContact NH2-OD2 2.72Å; R193-D230 PolarHBondContact NH2-OD2 2.86Å |
| 194 | D | 93.4 | Very high | 92.1 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 57% | 0.572 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.6 | -34.3 | 178 | -72.9 | -18.7 | 0 | 0 | 0 | 111.9 | E190 L191 L196 C197 | E190-D194 PolarHBondContact O-N 3.05Å; L191-D194 PolarHBondContact O-N 2.99Å; D194-L196 PolarHBondContact O-N 2.91Å; D194-C197 WeakPolarHBondContact O-CB 3.42Å; D194-C197 PolarHBondContact O-N 3.42Å |
| 195 | L | 94.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -65.7 | -16.5 | 176.3 | -68.2 | -174.3 | 0 | 0 | 0 | 114.2 | L157 A169 L191 L192 R193 C197 D198 V203 A207 | L157-L195 HydrophobicContact CD2-CD1 3.61Å; A169-L195 HydrophobicContact CB-CD1 3.82Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.93Å; L192-L195 WeakPolarHBondContact O-CB 3.28Å; L192-L195 PolarHBondContact O-N 2.98Å; R193-L195 PolarHBondContact O-N 3.02Å; L195-C197 PolarHBondContact O-N 2.94Å; L195-D198 VanDerWaalsContact O-CB 3.28Å; L195-D198 WeakPolarHBondContact O-CB 3.38Å; L195-D198 PolarHBondContact O-N 3.5Å; L195-D198 VanDerWaalsContact O-N 3.15Å; L195-V203 HydrophobicContact CB-CG1 4.16Å; L195-V203 HydrophobicContact CD1-CG1 4.15Å; L195-V203 HydrophobicContact CD2-CG1 3.93Å; L195-V203 HydrophobicContact CG-CG1 4.31Å; L195-A207 HydrophobicContact CB-CB 3.82Å |
| 196 | L | 92.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -66 | -16.8 | 169.7 | -62.5 | 174.6 | 0 | 0 | 0 | 112.5 | R193 D194 A207 V208 I211 F229 V233 L237 | R193-L196 HydrophobicContact CG-CD1 4.33Å; R193-L196 VanDerWaalsContact O-CB 3.23Å; R193-L196 WeakPolarHBondContact O-CB 3.44Å; R193-L196 WeakPolarHBondContact O-CG 3.48Å; R193-L196 PolarHBondContact O-N 3.35Å; D194-L196 PolarHBondContact O-N 2.91Å; L196-A207 HydrophobicContact CD2-CB 4.06Å; L196-V208 HydrophobicContact CD2-CG2 3.55Å; L196-I211 HydrophobicContact CD1-CD1 3.63Å; L196-I211 HydrophobicContact CD2-CD1 3.95Å; L196-I211 HydrophobicContact CG-CD1 3.83Å; L196-F229 HydrophobicContact CD1-CD1 4.29Å; L196-F229 HydrophobicContact CD1-CE1 4.04Å; L196-F229 HydrophobicContact CD2-CE1 4.4Å; L196-V233 HydrophobicContact CD1-CG1 3.95Å; L196-V233 HydrophobicContact CD1-CG2 4.43Å; L196-L237 HydrophobicContact CD2-CD2 4.49Å |
| 197 | C | 90.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -103.3 | 12.4 | 176.7 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | D194 L195 K236 | D194-C197 WeakPolarHBondContact O-CB 3.42Å; D194-C197 PolarHBondContact O-N 3.42Å; L195-C197 PolarHBondContact O-N 2.94Å; C197-K236 PolarHBondContact SG-NZ 3.34Å |
| 198 | D | 93.6 | Very high | 93 | Very high | 32 Ų | 32 | 32 Ų | 32 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | trans | -63.8 | 148.5 | -179.9 | -160.8 | -72.5 | 0 | 0 | 0 | 111.6 | R165 L195 N200 V203 V204 | R165-D198 IonicContact CZ-OD1 3.9Å; R165-D198 IonicContact CZ-OD2 2.71Å; R165-D198 IonicContact NE-OD1 2.8Å; R165-D198 IonicContact NE-OD2 2.88Å; R165-D198 PolarHBondContact NE-OD2 2.81Å; R165-D198 IonicContact NH2-OD1 3.5Å; R165-D198 PolarHBondContact NH2-OD1 3.28Å; R165-D198 IonicContact NH2-OD2 3.83Å; R165-D198 PolarHBondContact NH2-OD2 3.08Å; R165-D198 VanDerWaalsContact NH2-OD2 3.13Å; L195-D198 VanDerWaalsContact O-CB 3.28Å; L195-D198 WeakPolarHBondContact O-CB 3.38Å; L195-D198 PolarHBondContact O-N 3.5Å; L195-D198 VanDerWaalsContact O-N 3.15Å; D198-N200 PolarHBondContact O-N 3.38Å; D198-N200 WeakPolarHBondContact OD1-CB 3.48Å; D198-N200 PolarHBondContact OD1-N 2.68Å; D198-V203 HydrophobicContact CB-CB 4.02Å; D198-V203 HydrophobicContact CB-CG1 3.89Å; D198-V204 HydrophobicContact CB-CG2 4.16Å | ||
| 199 | S | 90.8 | Very high | 92.9 | Very high | 111 Ų | 111 | 32.8 Ų | 32.8 | 78% | 0.776 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -63.8 | -25 | 173.4 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 200 | N | 92.6 | Very high | 92.9 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -100.6 | 119 | -175.7 | -170.5 | -69.4 | 0 | 0 | 0 | 111 | P162 D198 M202 V203 V204 | P162-N200 HydrophobicContact CB-CB 3.82Å; P162-N200 HydrophobicContact CG-CB 4.16Å; D198-N200 PolarHBondContact O-N 3.38Å; D198-N200 WeakPolarHBondContact OD1-CB 3.48Å; D198-N200 PolarHBondContact OD1-N 2.68Å; N200-M202 VanDerWaalsContact C-N 3.25Å; N200-M202 PolarHBondContact O-N 3.07Å; N200-M202 WeakPolarHBondContact OD1-CA 3.23Å; N200-M202 VanDerWaalsContact OD1-CB 3.23Å; N200-M202 WeakPolarHBondContact OD1-CB 3.21Å; N200-M202 PolarHBondContact OD1-N 2.99Å; N200-V203 HydrophobicContact CB-CB 4.45Å; N200-V203 HydrophobicContact CB-CG2 3.93Å; N200-V203 WeakPolarHBondContact O-CB 3.43Å; N200-V203 PolarHBondContact O-N 3.03Å; N200-V204 PolarHBondContact O-N 3.27Å |
| 201 | P | 90.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 29 Ų | 29 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -30.7 | -179 | -24.1 | 31.7 | 0 | 0 | 0 | 114.4 | V203 V204 A205 A240 E243 C244 | P201-V203 VanDerWaalsContact C-N 3.31Å; P201-V203 PolarHBondContact O-N 3.12Å; P201-V204 PolarHBondContact O-N 3.13Å; P201-A205 WeakPolarHBondContact O-CB 3.35Å; P201-A205 PolarHBondContact O-N 2.99Å; P201-A240 HydrophobicContact CB-CB 4.33Å; P201-E243 HydrophobicContact CB-CB 4.17Å; P201-E243 HydrophobicContact CG-CB 3.58Å; P201-E243 WeakPolarHBondContact CG-OE2 3.42Å; P201-C244 VanDerWaalsContact CB-SG 3.54Å; P201-C244 PolarHBondContact O-SG 3.49Å |
| 202 | M | 89.2 | Confident | 92.7 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 25% | 0.251 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.9 | -34 | 178.1 | -55.6 | -175.1 | -174.8 | 0 | 0 | 111.8 | K166 N200 N206 L698 | K166-M202 HydrophobicContact CD-CB 4.36Å; N200-M202 VanDerWaalsContact C-N 3.25Å; N200-M202 PolarHBondContact O-N 3.07Å; N200-M202 WeakPolarHBondContact OD1-CA 3.23Å; N200-M202 VanDerWaalsContact OD1-CB 3.23Å; N200-M202 WeakPolarHBondContact OD1-CB 3.21Å; N200-M202 PolarHBondContact OD1-N 2.99Å; M202-N206 PolarHBondContact O-N 3.33Å; M202-N206 PolarHBondContact O-ND2 3.05Å; M202-L698 HydrophobicContact CE-CD1 3.5Å; M202-L698 HydrophobicContact CE-CG 3.91Å; M202-L698 HydrophobicContact SD-CD1 3.59Å; M202-L698 VanDerWaalsContact SD-CD1 3.59Å; M202-L698 HydrophobicContact SD-CG 4.4Å |
| 203 | V | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -47.5 | 175 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | P162 R165 K166 L195 D198 N200 P201 A205 N206 A207 | P162-V203 HydrophobicContact CB-CG2 3.93Å; P162-V203 WeakPolarHBondContact O-CG2 3.45Å; R165-V203 HydrophobicContact CB-CG1 4.08Å; R165-V203 HydrophobicContact CB-CG2 4.1Å; K166-V203 HydrophobicContact CB-CB 4.49Å; K166-V203 HydrophobicContact CB-CG2 4.05Å; L195-V203 HydrophobicContact CB-CG1 4.16Å; L195-V203 HydrophobicContact CD1-CG1 4.15Å; L195-V203 HydrophobicContact CD2-CG1 3.93Å; L195-V203 HydrophobicContact CG-CG1 4.31Å; D198-V203 HydrophobicContact CB-CB 4.02Å; D198-V203 HydrophobicContact CB-CG1 3.89Å; N200-V203 HydrophobicContact CB-CB 4.45Å; N200-V203 HydrophobicContact CB-CG2 3.93Å; N200-V203 WeakPolarHBondContact O-CB 3.43Å; N200-V203 PolarHBondContact O-N 3.03Å; P201-V203 VanDerWaalsContact C-N 3.31Å; P201-V203 PolarHBondContact O-N 3.12Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.41Å; V203-N206 PolarHBondContact O-N 2.97Å; V203-A207 WeakPolarHBondContact O-CB 3.37Å; V203-A207 PolarHBondContact O-N 2.66Å |
| 204 | V | 94 | Very high | 92.3 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.1 | -48.9 | 176 | 178.5 | 0 | 0 | 0 | 0 | 111 | D198 N200 P201 N206 A207 V208 L237 A240 | D198-V204 HydrophobicContact CB-CG2 4.16Å; N200-V204 PolarHBondContact O-N 3.27Å; P201-V204 PolarHBondContact O-N 3.13Å; V204-N206 PolarHBondContact O-N 3.04Å; V204-A207 WeakPolarHBondContact O-CB 3.42Å; V204-A207 PolarHBondContact O-N 2.7Å; V204-V208 HydrophobicContact CG1-CG2 4.46Å; V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.32Å; V204-L237 HydrophobicContact CG1-CD2 3.48Å; V204-L237 VanDerWaalsContact CG1-CD2 3.48Å; V204-A240 HydrophobicContact CG1-CB 4.27Å |
| 205 | A | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -40.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P201 V203 A209 I252 | P201-A205 WeakPolarHBondContact O-CB 3.35Å; P201-A205 PolarHBondContact O-N 2.99Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.41Å; A205-A209 PolarHBondContact O-N 2.93Å; A205-I252 HydrophobicContact CB-CD1 4.39Å |
| 206 | N | 92.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 24% | 0.235 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.6 | -33.2 | 176.7 | -78.6 | -92.9 | 0 | 0 | 0 | 111.9 | K166 A169 V170 M202 V203 V204 A209 S210 | K166-N206 HydrophobicContact CB-CB 4.24Å; A169-N206 HydrophobicContact CB-CB 4.48Å; V170-N206 HydrophobicContact CG2-CB 4.08Å; V170-N206 WeakPolarHBondContact CG2-OD1 3.32Å; M202-N206 PolarHBondContact O-N 3.33Å; M202-N206 PolarHBondContact O-ND2 3.05Å; V203-N206 PolarHBondContact O-N 2.97Å; V204-N206 PolarHBondContact O-N 3.04Å; N206-A209 PolarHBondContact O-N 3.27Å; N206-S210 VanDerWaalsContact O-CB 3.31Å; N206-S210 WeakPolarHBondContact O-CB 3.35Å; N206-S210 PolarHBondContact O-N 3.22Å; N206-S210 PolarHBondContact O-OG 3.15Å |
| 207 | A | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L192 L195 L196 V203 V204 A209 S210 I211 | L192-A207 HydrophobicContact CD1-CB 4.22Å; L195-A207 HydrophobicContact CB-CB 3.82Å; L196-A207 HydrophobicContact CD2-CB 4.06Å; V203-A207 WeakPolarHBondContact O-CB 3.37Å; V203-A207 PolarHBondContact O-N 2.66Å; V204-A207 WeakPolarHBondContact O-CB 3.42Å; V204-A207 PolarHBondContact O-N 2.7Å; A207-A209 PolarHBondContact O-N 3.4Å; A207-S210 PolarHBondContact O-N 2.97Å; A207-I211 WeakPolarHBondContact O-CB 3.45Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.09Å |
| 208 | V | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | L196 V204 S210 I211 T212 F229 L237 F251 I252 A255 | L196-V208 HydrophobicContact CD2-CG2 3.55Å; V204-V208 HydrophobicContact CG1-CG2 4.46Å; V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.32Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.03Å; V208-I211 PolarHBondContact O-N 2.94Å; V208-I211 VanDerWaalsContact O-N 3.15Å; V208-T212 HydrophobicContact CG1-CG2 4.33Å; V208-T212 WeakPolarHBondContact O-CG2 3.39Å; V208-T212 PolarHBondContact O-N 3.41Å; V208-T212 PolarHBondContact O-OG1 3.17Å; V208-T212 VanDerWaalsContact O-OG1 3.05Å; V208-F229 HydrophobicContact CG1-CZ 4.26Å; V208-L237 HydrophobicContact CG2-CD1 4Å; V208-L237 HydrophobicContact CG2-CD2 3.47Å; V208-L237 VanDerWaalsContact CG2-CD2 3.47Å; V208-L237 HydrophobicContact CG2-CG 4.4Å; V208-F251 WeakPolarHBondContact CG1-O 3.32Å; V208-I252 HydrophobicContact CG2-CG1 4.49Å; V208-A255 HydrophobicContact CG1-CB 3.43Å; V208-A255 VanDerWaalsContact CG1-CB 3.43Å |
| 209 | A | 91.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A205 N206 A207 T212 E213 F251 | A205-A209 PolarHBondContact O-N 2.93Å; N206-A209 PolarHBondContact O-N 3.27Å; A207-A209 PolarHBondContact O-N 3.4Å; A209-T212 WeakPolarHBondContact CA-OG1 3.42Å; A209-T212 PolarHBondContact O-OG1 3.21Å; A209-E213 WeakPolarHBondContact O-CB 3.19Å; A209-E213 PolarHBondContact O-N 3.09Å; A209-F251 HydrophobicContact CB-CB 4.32Å; A209-F251 HydrophobicContact CB-CD1 4.33Å; A209-F251 HydrophobicContact CB-CD2 3.8Å; A209-F251 HydrophobicContact CB-CE2 4.14Å; A209-F251 HydrophobicContact CB-CG 3.91Å |
| 210 | S | 94.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | A169 V170 N206 A207 V208 E213 I214 | A169-S210 PolarHBondContact O-OG 3.06Å; V170-S210 WeakPolarHBondContact CA-OG 3.44Å; V170-S210 PolarHBondContact N-OG 3.5Å; N206-S210 VanDerWaalsContact O-CB 3.31Å; N206-S210 WeakPolarHBondContact O-CB 3.35Å; N206-S210 PolarHBondContact O-N 3.22Å; N206-S210 PolarHBondContact O-OG 3.15Å; A207-S210 PolarHBondContact O-N 2.97Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.03Å; S210-E213 PolarHBondContact O-N 3.06Å; S210-I214 VanDerWaalsContact O-CG1 3.25Å; S210-I214 WeakPolarHBondContact O-CG1 3.44Å; S210-I214 PolarHBondContact O-N 3.1Å |
| 211 | I | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.2 | -73.7 | 174.5 | 0 | 0 | 0 | 111 | L192 L196 A207 V208 E213 I214 L215 L227 F229 | L192-I211 HydrophobicContact CD2-CG1 3.62Å; L192-I211 HydrophobicContact CG-CD1 4.15Å; L192-I211 HydrophobicContact CG-CG1 3.74Å; L196-I211 HydrophobicContact CD1-CD1 3.63Å; L196-I211 HydrophobicContact CD2-CD1 3.95Å; L196-I211 HydrophobicContact CG-CD1 3.83Å; A207-I211 WeakPolarHBondContact O-CB 3.45Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3.09Å; V208-I211 PolarHBondContact O-N 2.94Å; V208-I211 VanDerWaalsContact O-N 3.15Å; I211-E213 VanDerWaalsContact C-N 3.26Å; I211-E213 PolarHBondContact O-N 3.19Å; I211-I214 PolarHBondContact O-N 3.37Å; I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.19Å; I211-L215 WeakPolarHBondContact O-CB 3.48Å; I211-L215 VanDerWaalsContact O-CG 3.29Å; I211-L215 WeakPolarHBondContact O-CG 3.34Å; I211-L215 PolarHBondContact O-N 3.27Å; I211-L227 HydrophobicContact CD1-CD2 4.12Å; I211-L227 HydrophobicContact CG1-CD2 3.96Å; I211-L227 HydrophobicContact CG2-CB 3.93Å; I211-L227 HydrophobicContact CG2-CD1 4.41Å; I211-L227 HydrophobicContact CG2-CD2 4.43Å; I211-L227 HydrophobicContact CG2-CG 4.5Å; I211-F229 HydrophobicContact CB-CE1 4.5Å; I211-F229 HydrophobicContact CB-CZ 4.19Å; I211-F229 HydrophobicContact CG2-CE1 3.86Å; I211-F229 HydrophobicContact CG2-CE2 4.34Å; I211-F229 HydrophobicContact CG2-CZ 3.55Å |
| 212 | T | 89.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 34.8 Ų | 34.8 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 177.9 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | V208 A209 L215 E216 F229 A255 | V208-T212 HydrophobicContact CG1-CG2 4.33Å; V208-T212 WeakPolarHBondContact O-CG2 3.39Å; V208-T212 PolarHBondContact O-N 3.41Å; V208-T212 PolarHBondContact O-OG1 3.17Å; V208-T212 VanDerWaalsContact O-OG1 3.05Å; A209-T212 WeakPolarHBondContact CA-OG1 3.42Å; A209-T212 PolarHBondContact O-OG1 3.21Å; T212-L215 PolarHBondContact O-N 2.83Å; T212-E216 WeakPolarHBondContact O-CG 3.46Å; T212-E216 PolarHBondContact O-N 3.39Å; T212-E216 VanDerWaalsContact O-N 3.07Å; T212-F229 HydrophobicContact CG2-CE2 3.97Å; T212-F229 HydrophobicContact CG2-CZ 4.17Å; T212-A255 HydrophobicContact CG2-CB 4.18Å |
| 213 | E | 87.5 | Confident | 87.3 | Confident | 37 Ų | 37 | 32.3 Ų | 32.3 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 177 | -171.1 | 168.3 | 149 | 0 | 0 | 112 | V4 A209 S210 I211 L215 E216 M217 | V4-E213 WeakPolarHBondContact CG2-OE1 3.35Å; A209-E213 WeakPolarHBondContact O-CB 3.19Å; A209-E213 PolarHBondContact O-N 3.09Å; S210-E213 PolarHBondContact O-N 3.06Å; I211-E213 VanDerWaalsContact C-N 3.26Å; I211-E213 PolarHBondContact O-N 3.19Å; E213-L215 PolarHBondContact O-N 2.96Å; E213-E216 PolarHBondContact O-N 3.26Å; E213-M217 HydrophobicContact CG-SD 3.89Å; E213-M217 VanDerWaalsContact O-CG 3.29Å; E213-M217 WeakPolarHBondContact O-CG 3.21Å; E213-M217 PolarHBondContact O-N 2.89Å |
| 214 | I | 89.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.6 | -69.1 | 165.5 | 0 | 0 | 0 | 111.1 | V172 A173 H176 L189 L192 S210 I211 E216 M217 T218 L227 | V172-I214 HydrophobicContact CG1-CD1 4.27Å; A173-I214 HydrophobicContact CB-CD1 4.36Å; A173-I214 HydrophobicContact CB-CG1 4.22Å; H176-I214 HydrophobicContact CB-CD1 4.41Å; H176-I214 HydrophobicContact CB-CG1 4.14Å; L189-I214 HydrophobicContact CD2-CD1 4.24Å; L189-I214 HydrophobicContact CD2-CG2 4.43Å; L192-I214 HydrophobicContact CD2-CD1 3.56Å; S210-I214 VanDerWaalsContact O-CG1 3.25Å; S210-I214 WeakPolarHBondContact O-CG1 3.44Å; S210-I214 PolarHBondContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 3.37Å; I214-E216 VanDerWaalsContact C-N 3.27Å; I214-E216 PolarHBondContact O-N 3.16Å; I214-M217 PolarHBondContact O-N 3.22Å; I214-T218 WeakPolarHBondContact O-CB 3.29Å; I214-T218 WeakPolarHBondContact O-CG2 3.27Å; I214-T218 PolarHBondContact O-N 3.36Å; I214-L227 HydrophobicContact CB-CD1 4.07Å; I214-L227 HydrophobicContact CG2-CD1 3.52Å |
| 215 | L | 87.2 | Confident | 86.1 | Confident | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -34.4 | 178.1 | -76.3 | 174.2 | 0 | 0 | 0 | 112.5 | I211 T212 E213 M217 R224 L227 F229 | I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.19Å; I211-L215 WeakPolarHBondContact O-CB 3.48Å; I211-L215 VanDerWaalsContact O-CG 3.29Å; I211-L215 WeakPolarHBondContact O-CG 3.34Å; I211-L215 PolarHBondContact O-N 3.27Å; T212-L215 PolarHBondContact O-N 2.83Å; E213-L215 PolarHBondContact O-N 2.96Å; L215-M217 VanDerWaalsContact C-N 3.31Å; L215-R224 HydrophobicContact CD2-CB 4.32Å; L215-R224 HydrophobicContact CD2-CG 4.07Å; L215-L227 HydrophobicContact CD1-CB 4.39Å; L215-L227 HydrophobicContact CD2-CB 3.79Å; L215-L227 HydrophobicContact CG-CB 4.08Å; L215-F229 HydrophobicContact CD1-CE2 4.47Å |
| 216 | E | 82.3 | Confident | 85.6 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 36% | 0.36 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.8 | -26.3 | 173.8 | -75.2 | -176.7 | 177 | 0 | 0 | 112.8 | M1 T212 E213 I214 H616 R620 | M1-E216 PolarHBondContact N-OE2 3.42Å; T212-E216 WeakPolarHBondContact O-CG 3.46Å; T212-E216 PolarHBondContact O-N 3.39Å; T212-E216 VanDerWaalsContact O-N 3.07Å; E213-E216 PolarHBondContact O-N 3.26Å; I214-E216 VanDerWaalsContact C-N 3.27Å; I214-E216 PolarHBondContact O-N 3.16Å; E216-H616 WeakPolarHBondContact O-CB 3.49Å; E216-H616 PolarHBondContact O-ND1 3.27Å; E216-H616 VanDerWaalsContact O-ND1 3.16Å; E216-R620 IonicContact OE1-NH2 3.25Å |
| 217 | M | 81.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -103 | -26.9 | -172.2 | -66.1 | 169.5 | 61.8 | 0 | 0 | 114.4 | D177 E213 I214 L215 | D177-M217 HydrophobicContact CB-CE 3.64Å; D177-M217 WeakPolarHBondContact OD1-CE 3.46Å; E213-M217 HydrophobicContact CG-SD 3.89Å; E213-M217 VanDerWaalsContact O-CG 3.29Å; E213-M217 WeakPolarHBondContact O-CG 3.21Å; E213-M217 PolarHBondContact O-N 2.89Å; I214-M217 PolarHBondContact O-N 3.22Å; L215-M217 VanDerWaalsContact C-N 3.31Å |
| 218 | T | 81.7 | Confident | 84.6 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -78.8 | 143.2 | -173.1 | -168 | 0 | 0 | 0 | 0 | 112.9 | I214 S220 A223 | I214-T218 WeakPolarHBondContact O-CB 3.29Å; I214-T218 WeakPolarHBondContact O-CG2 3.27Å; I214-T218 PolarHBondContact O-N 3.36Å; T218-S220 WeakPolarHBondContact OG1-CB 3.3Å; T218-S220 PolarHBondContact OG1-N 3.11Å; T218-S220 VanDerWaalsContact OG1-N 3.09Å; T218-A223 HydrophobicContact CG2-CB 4.2Å | ||
| 219 | N | 73.1 | Confident | 84.2 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 68% | 0.684 | 26% | 0.259 | S | S | * | . | trans | -101.8 | -0.9 | 167.7 | -68.9 | -55.6 | 0 | 0 | 0 | 112.4 | H616 | N219-H616 PolarHBondContact OD1-CE1 2.76Å; N219-H616 PolarHBondContact OD1-NE2 2.9Å | ||
| 220 | S | 78.9 | Confident | 84 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | trans | -84.3 | 114.5 | -175.7 | -179 | 0 | 0 | 0 | 0 | 110.3 | E184 T218 S222 A223 R224 | E184-S220 WeakPolarHBondContact OE1-CB 3.17Å; E184-S220 PolarHBondContact OE1-OG 3.07Å; E184-S220 PolarHBondContact OE2-OG 3.18Å; T218-S220 WeakPolarHBondContact OG1-CB 3.3Å; T218-S220 PolarHBondContact OG1-N 3.11Å; T218-S220 VanDerWaalsContact OG1-N 3.09Å; S220-S222 PolarHBondContact O-N 3.38Å; S220-S222 PolarHBondContact OG-OG 3.36Å; S220-A223 PolarHBondContact O-N 3.23Å; S220-A223 PolarHBondContact OG-N 3.44Å; S220-R224 PolarHBondContact O-N 2.86Å | ||
| 221 | D | 79.6 | Confident | 83.6 | Confident | 124 Ų | 124 | 48.9 Ų | 48.9 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 177.5 | -74.1 | -35.6 | 0 | 0 | 0 | 111.8 | R224 S225 | D221-R224 PolarHBondContact O-N 3.46Å; D221-S225 WeakPolarHBondContact O-CB 3.47Å; D221-S225 PolarHBondContact O-N 2.94Å |
| 222 | S | 79 | Confident | 83.4 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 174.3 | 51.3 | 0 | 0 | 0 | 0 | 111 | S220 R224 S225 L226 | S220-S222 PolarHBondContact O-N 3.38Å; S220-S222 PolarHBondContact OG-OG 3.36Å; S222-R224 VanDerWaalsContact C-N 3.33Å; S222-R224 PolarHBondContact O-N 2.92Å; S222-S225 PolarHBondContact O-N 2.99Å; S222-L226 WeakPolarHBondContact O-CB 3.15Å; S222-L226 WeakPolarHBondContact O-CG 3.45Å; S222-L226 PolarHBondContact O-N 2.96Å |
| 223 | A | 79.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L189 T218 S220 L226 L227 | L189-A223 HydrophobicContact CD1-CB 3.54Å; T218-A223 HydrophobicContact CG2-CB 4.2Å; S220-A223 PolarHBondContact O-N 3.23Å; S220-A223 PolarHBondContact OG-N 3.44Å; A223-L226 PolarHBondContact O-N 2.77Å; A223-L227 VanDerWaalsContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CG 3.38Å; A223-L227 PolarHBondContact O-N 2.64Å |
| 224 | R | 82.1 | Confident | 83.7 | Confident | 116 Ų | 116 | 50 Ų | 50 | 44% | 0.438 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.9 | -174.3 | 177 | -68.4 | 168.2 | 1.8 | 112.1 | L215 S220 D221 S222 L226 L227 A228 | L215-R224 HydrophobicContact CD2-CB 4.32Å; L215-R224 HydrophobicContact CD2-CG 4.07Å; S220-R224 PolarHBondContact O-N 2.86Å; D221-R224 PolarHBondContact O-N 3.46Å; S222-R224 VanDerWaalsContact C-N 3.33Å; S222-R224 PolarHBondContact O-N 2.92Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.03Å; R224-L227 PolarHBondContact O-N 3.19Å; R224-A228 WeakPolarHBondContact O-CB 3.32Å; R224-A228 PolarHBondContact O-N 3.34Å |
| 225 | S | 80.5 | Confident | 83.7 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.7 | -36.4 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | D221 S222 | D221-S225 WeakPolarHBondContact O-CB 3.47Å; D221-S225 PolarHBondContact O-N 2.94Å; S222-S225 PolarHBondContact O-N 2.99Å |
| 226 | L | 81.7 | Confident | 83.8 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.1 | -29.2 | 177.4 | -79.5 | 169.9 | 0 | 0 | 0 | 112.8 | R193 S222 A223 R224 | R193-L226 VanDerWaalsContact CD-O 3.3Å; R193-L226 WeakPolarHBondContact CD-O 3.36Å; R193-L226 PolarHBondContact NH1-O 3.37Å; S222-L226 WeakPolarHBondContact O-CB 3.15Å; S222-L226 WeakPolarHBondContact O-CG 3.45Å; S222-L226 PolarHBondContact O-N 2.96Å; A223-L226 PolarHBondContact O-N 2.77Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.03Å |
| 227 | L | 84.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -101.7 | -7 | -177 | -68.4 | -175.2 | 0 | 0 | 0 | 113.9 | L189 I211 I214 L215 A223 R224 F229 | L189-L227 HydrophobicContact CB-CD2 4.34Å; L189-L227 HydrophobicContact CD2-CD1 4.26Å; I211-L227 HydrophobicContact CD1-CD2 4.12Å; I211-L227 HydrophobicContact CG1-CD2 3.96Å; I211-L227 HydrophobicContact CG2-CB 3.93Å; I211-L227 HydrophobicContact CG2-CD1 4.41Å; I211-L227 HydrophobicContact CG2-CD2 4.43Å; I211-L227 HydrophobicContact CG2-CG 4.5Å; I214-L227 HydrophobicContact CB-CD1 4.07Å; I214-L227 HydrophobicContact CG2-CD1 3.52Å; L215-L227 HydrophobicContact CD1-CB 4.39Å; L215-L227 HydrophobicContact CD2-CB 3.79Å; L215-L227 HydrophobicContact CG-CB 4.08Å; A223-L227 VanDerWaalsContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CB 3.31Å; A223-L227 WeakPolarHBondContact O-CG 3.38Å; A223-L227 PolarHBondContact O-N 2.64Å; R224-L227 PolarHBondContact O-N 3.19Å; L227-F229 PolarHBondContact O-N 3.02Å |
| 228 | A | 83.5 | Confident | 84.9 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 132.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R224 D230 | R224-A228 WeakPolarHBondContact O-CB 3.32Å; R224-A228 PolarHBondContact O-N 3.34Å; A228-D230 PolarHBondContact O-N 3.25Å |
| 229 | F | 86.9 | Confident | 85.3 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 120.4 | 175.8 | -57.7 | -56.9 | 0 | 0 | 0 | 110.4 | L196 V208 I211 T212 L215 L227 V233 I234 A255 Y259 | L196-F229 HydrophobicContact CD1-CD1 4.29Å; L196-F229 HydrophobicContact CD1-CE1 4.04Å; L196-F229 HydrophobicContact CD2-CE1 4.4Å; V208-F229 HydrophobicContact CG1-CZ 4.26Å; I211-F229 HydrophobicContact CB-CE1 4.5Å; I211-F229 HydrophobicContact CB-CZ 4.19Å; I211-F229 HydrophobicContact CG2-CE1 3.86Å; I211-F229 HydrophobicContact CG2-CE2 4.34Å; I211-F229 HydrophobicContact CG2-CZ 3.55Å; T212-F229 HydrophobicContact CG2-CE2 3.97Å; T212-F229 HydrophobicContact CG2-CZ 4.17Å; L215-F229 HydrophobicContact CD1-CE2 4.47Å; L227-F229 PolarHBondContact O-N 3.02Å; F229-V233 HydrophobicContact CD1-CG1 3.8Å; F229-I234 HydrophobicContact CB-CD1 4.12Å; F229-A255 HydrophobicContact CD2-CB 4.25Å; F229-A255 HydrophobicContact CE2-CB 3.73Å; F229-A255 HydrophobicContact CZ-CB 4.13Å; F229-Y259 WeakPolarHBondContact O-CD2 3.48Å |
| 230 | D | 87 | Confident | 86.2 | Confident | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -101 | 168 | 175.6 | 59.8 | 31.5 | 0 | 0 | 0 | 111.6 | R193 A228 P232 V233 I234 | R193-D230 IonicContact NH2-OD2 2.72Å; R193-D230 PolarHBondContact NH2-OD2 2.86Å; A228-D230 PolarHBondContact O-N 3.25Å; D230-P232 VanDerWaalsContact OD1-CD 3.31Å; D230-P232 WeakPolarHBondContact OD1-CD 3.15Å; D230-V233 WeakPolarHBondContact O-CB 3.05Å; D230-V233 PolarHBondContact O-N 3.34Å; D230-V233 WeakPolarHBondContact OD1-CB 3.38Å; D230-V233 WeakPolarHBondContact OD1-CG2 3.26Å; D230-V233 PolarHBondContact OD1-N 2.7Å; D230-I234 WeakPolarHBondContact O-CG1 3.24Å; D230-I234 PolarHBondContact O-N 3.27Å |
| 231 | G | 86.5 | Confident | 86.8 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.4 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V233 I234 N235 Y259 | G231-V233 PolarHBondContact O-N 3.3Å; G231-I234 PolarHBondContact O-N 3.37Å; G231-N235 PolarHBondContact O-N 3.42Å; G231-N235 PolarHBondContact O-ND2 2.86Å; G231-Y259 WeakPolarHBondContact CA-OH 3.32Å; G231-Y259 PolarHBondContact N-OH 3.34Å |
| 232 | P | 88.8 | Confident | 87.1 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 173.5 | -27.6 | 35.1 | 0 | 0 | 0 | 114.1 | D230 N235 K236 | D230-P232 VanDerWaalsContact OD1-CD 3.31Å; D230-P232 WeakPolarHBondContact OD1-CD 3.15Å; P232-N235 PolarHBondContact O-N 2.98Å; P232-K236 WeakPolarHBondContact O-CG 3.43Å; P232-K236 PolarHBondContact O-N 2.96Å |
| 233 | V | 90.3 | Very high | 87.6 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 175.6 | 170 | 0 | 0 | 0 | 0 | 110.6 | L196 F229 D230 G231 N235 K236 L237 | L196-V233 HydrophobicContact CD1-CG1 3.95Å; L196-V233 HydrophobicContact CD1-CG2 4.43Å; F229-V233 HydrophobicContact CD1-CG1 3.8Å; D230-V233 WeakPolarHBondContact O-CB 3.05Å; D230-V233 PolarHBondContact O-N 3.34Å; D230-V233 WeakPolarHBondContact OD1-CB 3.38Å; D230-V233 WeakPolarHBondContact OD1-CG2 3.26Å; D230-V233 PolarHBondContact OD1-N 2.7Å; G231-V233 PolarHBondContact O-N 3.3Å; V233-N235 PolarHBondContact O-N 2.99Å; V233-K236 WeakPolarHBondContact O-CA 3.27Å; V233-K236 WeakPolarHBondContact O-CB 3.49Å; V233-K236 PolarHBondContact O-N 2.81Å; V233-L237 HydrophobicContact CG1-CD1 4.23Å; V233-L237 HydrophobicContact CG1-CG 4.11Å; V233-L237 WeakPolarHBondContact O-CG 3.33Å; V233-L237 PolarHBondContact O-N 2.87Å |
| 234 | I | 92.6 | Very high | 88 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 177.2 | -64.9 | -64.3 | 0 | 0 | 0 | 111.5 | F229 D230 G231 K236 L237 L238 I256 Y259 I270 | F229-I234 HydrophobicContact CB-CD1 4.12Å; D230-I234 WeakPolarHBondContact O-CG1 3.24Å; D230-I234 PolarHBondContact O-N 3.27Å; G231-I234 PolarHBondContact O-N 3.37Å; I234-K236 VanDerWaalsContact C-N 3.3Å; I234-K236 PolarHBondContact O-N 2.71Å; I234-L237 HydrophobicContact CD1-CD1 4.4Å; I234-L237 PolarHBondContact O-N 3.04Å; I234-L238 HydrophobicContact CG2-CD1 3.84Å; I234-L238 HydrophobicContact CG2-CG 4.48Å; I234-L238 WeakPolarHBondContact O-CB 3.23Å; I234-L238 WeakPolarHBondContact O-CG 3.46Å; I234-L238 PolarHBondContact O-N 3.09Å; I234-I256 HydrophobicContact CD1-CG1 4.19Å; I234-Y259 HydrophobicContact CD1-CD1 4.23Å; I234-Y259 HydrophobicContact CD1-CD2 4.13Å; I234-Y259 HydrophobicContact CD1-CG 3.77Å; I234-Y259 HydrophobicContact CG1-CD1 3.8Å; I234-Y259 HydrophobicContact CG1-CD2 3.71Å; I234-Y259 HydrophobicContact CG1-CE1 4.05Å; I234-Y259 HydrophobicContact CG1-CE2 3.98Å; I234-Y259 HydrophobicContact CG1-CG 3.6Å; I234-Y259 HydrophobicContact CG2-CD1 4.29Å; I234-Y259 HydrophobicContact CG2-CE1 4.42Å; I234-I270 HydrophobicContact CG2-CD1 4.24Å; I234-I270 HydrophobicContact CG2-CG1 4.49Å |
| 235 | N | 90.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 175.9 | -81.9 | -69.6 | 0 | 0 | 0 | 113.3 | G231 P232 V233 T239 R273 | G231-N235 PolarHBondContact O-N 3.42Å; G231-N235 PolarHBondContact O-ND2 2.86Å; P232-N235 PolarHBondContact O-N 2.98Å; V233-N235 PolarHBondContact O-N 2.99Å; N235-T239 PolarHBondContact O-N 3.49Å; N235-T239 PolarHBondContact O-OG1 3.33Å; N235-T239 VanDerWaalsContact O-OG1 3.14Å; N235-R273 PolarHBondContact O-NH1 3.23Å; N235-R273 PolarHBondContact OD1-NH2 3.1Å |
| 236 | K | 89.5 | Confident | 89.1 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.8 | -43.5 | 175.1 | -69.1 | 173 | -179.5 | 174.7 | 0 | 111.6 | C197 P232 V233 I234 L238 T239 A240 | C197-K236 PolarHBondContact SG-NZ 3.34Å; P232-K236 WeakPolarHBondContact O-CG 3.43Å; P232-K236 PolarHBondContact O-N 2.96Å; V233-K236 WeakPolarHBondContact O-CA 3.27Å; V233-K236 WeakPolarHBondContact O-CB 3.49Å; V233-K236 PolarHBondContact O-N 2.81Å; I234-K236 VanDerWaalsContact C-N 3.3Å; I234-K236 PolarHBondContact O-N 2.71Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.26Å; K236-T239 WeakPolarHBondContact O-CB 3.28Å; K236-T239 PolarHBondContact O-N 3.43Å; K236-A240 PolarHBondContact O-N 3.04Å |
| 237 | L | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 176.6 | -67.1 | -168.9 | 0 | 0 | 0 | 111.5 | L196 V204 V208 V233 I234 T239 A240 L241 I252 A255 | L196-L237 HydrophobicContact CD2-CD2 4.49Å; V204-L237 HydrophobicContact CG1-CD2 3.48Å; V204-L237 VanDerWaalsContact CG1-CD2 3.48Å; V208-L237 HydrophobicContact CG2-CD1 4Å; V208-L237 HydrophobicContact CG2-CD2 3.47Å; V208-L237 VanDerWaalsContact CG2-CD2 3.47Å; V208-L237 HydrophobicContact CG2-CG 4.4Å; V233-L237 HydrophobicContact CG1-CD1 4.23Å; V233-L237 HydrophobicContact CG1-CG 4.11Å; V233-L237 WeakPolarHBondContact O-CG 3.33Å; V233-L237 PolarHBondContact O-N 2.87Å; I234-L237 HydrophobicContact CD1-CD1 4.4Å; I234-L237 PolarHBondContact O-N 3.04Å; L237-T239 VanDerWaalsContact C-N 3.28Å; L237-T239 PolarHBondContact O-N 2.92Å; L237-A240 PolarHBondContact O-N 2.89Å; L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 PolarHBondContact O-N 2.95Å; L237-I252 HydrophobicContact CB-CG2 3.9Å; L237-A255 HydrophobicContact CD1-CB 4.49Å |
| 238 | L | 92.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -31 | 175.4 | -74.6 | 164.2 | 0 | 0 | 0 | 113.2 | I234 K236 L241 I256 I270 R273 V274 | I234-L238 HydrophobicContact CG2-CD1 3.84Å; I234-L238 HydrophobicContact CG2-CG 4.48Å; I234-L238 WeakPolarHBondContact O-CB 3.23Å; I234-L238 WeakPolarHBondContact O-CG 3.46Å; I234-L238 PolarHBondContact O-N 3.09Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.26Å; L238-L241 HydrophobicContact CD2-CD2 4.47Å; L238-I256 HydrophobicContact CD2-CD1 3.71Å; L238-I256 HydrophobicContact CG-CD1 3.95Å; L238-I270 HydrophobicContact CD1-CG1 4.01Å; L238-R273 HydrophobicContact CD2-CB 4.1Å; L238-V274 HydrophobicContact CD2-CG1 3.51Å |
| 239 | T | 90.9 | Very high | 90.4 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 52% | 0.521 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.3 | -46.3 | 172.6 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | N235 K236 L237 L241 N242 | N235-T239 PolarHBondContact O-N 3.49Å; N235-T239 PolarHBondContact O-OG1 3.33Å; N235-T239 VanDerWaalsContact O-OG1 3.14Å; K236-T239 WeakPolarHBondContact O-CB 3.28Å; K236-T239 PolarHBondContact O-N 3.43Å; L237-T239 VanDerWaalsContact C-N 3.28Å; L237-T239 PolarHBondContact O-N 2.92Å; T239-L241 VanDerWaalsContact C-N 3.25Å; T239-L241 PolarHBondContact O-N 2.92Å; T239-N242 PolarHBondContact O-N 3.45Å |
| 240 | A | 90.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -28.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | P201 V204 K236 L237 N242 E243 C244 I252 | P201-A240 HydrophobicContact CB-CB 4.33Å; V204-A240 HydrophobicContact CG1-CB 4.27Å; K236-A240 PolarHBondContact O-N 3.04Å; L237-A240 PolarHBondContact O-N 2.89Å; A240-N242 PolarHBondContact O-N 2.98Å; A240-N242 VanDerWaalsContact O-N 3.1Å; A240-E243 PolarHBondContact O-N 3.24Å; A240-E243 VanDerWaalsContact O-N 3.07Å; A240-C244 PolarHBondContact O-N 3.16Å; A240-C244 PolarHBondContact O-SG 3.33Å; A240-I252 HydrophobicContact CB-CD1 4.3Å |
| 241 | L | 91.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.9 | 180 | -174 | 66.5 | 0 | 0 | 0 | 113 | L237 L238 T239 E243 Q249 I252 L253 V274 R277 | L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 PolarHBondContact O-N 2.95Å; L238-L241 HydrophobicContact CD2-CD2 4.47Å; T239-L241 VanDerWaalsContact C-N 3.25Å; T239-L241 PolarHBondContact O-N 2.92Å; L241-E243 VanDerWaalsContact C-N 3.3Å; L241-E243 PolarHBondContact O-N 3.28Å; L241-Q249 HydrophobicContact CD1-CB 3.85Å; L241-Q249 HydrophobicContact CD1-CG 3.85Å; L241-Q249 WeakPolarHBondContact O-CG 3.29Å; L241-I252 HydrophobicContact CB-CG2 4.35Å; L241-I252 HydrophobicContact CD1-CB 4.12Å; L241-I252 HydrophobicContact CD1-CG2 3.88Å; L241-L253 HydrophobicContact CD1-CD1 4.48Å; L241-L253 HydrophobicContact CD1-CD2 4.31Å; L241-L253 HydrophobicContact CD1-CG 3.95Å; L241-L253 HydrophobicContact CD2-CD2 4Å; L241-V274 HydrophobicContact CD2-CG1 4.2Å; L241-R277 HydrophobicContact CD2-CG 4.02Å; L241-R277 HydrophobicContact CG-CG 4.35Å |
| 242 | N | 86.9 | Confident | 91.5 | Very high | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23.5 | -178 | -65.2 | -47.9 | 0 | 0 | 0 | 114 | T239 A240 | T239-N242 PolarHBondContact O-N 3.45Å; A240-N242 PolarHBondContact O-N 2.98Å; A240-N242 VanDerWaalsContact O-N 3.1Å |
| 243 | E | 88.5 | Confident | 91.9 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 3.4 | -172.5 | -64.5 | 178.9 | -165.8 | 0 | 0 | 112.3 | P201 A240 L241 | P201-E243 HydrophobicContact CB-CB 4.17Å; P201-E243 HydrophobicContact CG-CB 3.58Å; P201-E243 WeakPolarHBondContact CG-OE2 3.42Å; A240-E243 PolarHBondContact O-N 3.24Å; A240-E243 VanDerWaalsContact O-N 3.07Å; L241-E243 VanDerWaalsContact C-N 3.3Å; L241-E243 PolarHBondContact O-N 3.28Å |
| 244 | C | 89.6 | Confident | 92 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -83.1 | 152.2 | 178 | -76.6 | 0 | 0 | 0 | 0 | 112.4 | P201 A240 Q249 I252 | P201-C244 VanDerWaalsContact CB-SG 3.54Å; P201-C244 PolarHBondContact O-SG 3.49Å; A240-C244 PolarHBondContact O-N 3.16Å; A240-C244 PolarHBondContact O-SG 3.33Å; C244-Q249 HydrophobicContact CB-CG 3.84Å; C244-Q249 PolarHBondContact O-NE2 2.98Å; C244-I252 HydrophobicContact CB-CD1 4.43Å; C244-I252 WeakPolarHBondContact SG-CD1 3.49Å |
| 245 | T | 91.6 | Very high | 91.9 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 22% | 0.221 | 22% | 0.219 | C | C | . | . | trans | -63.6 | 166.9 | 165.3 | 55.2 | 0 | 0 | 0 | 0 | 112 | W247 G248 Q249 L698 | T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.45Å; T245-G248 CarbonylContact O-C 3.41Å; T245-G248 WeakPolarHBondContact O-CA 3.42Å; T245-G248 PolarHBondContact O-N 3.41Å; T245-G248 PolarHBondContact OG1-N 2.95Å; T245-Q249 WeakPolarHBondContact O-CG 3.44Å; T245-Q249 PolarHBondContact O-N 3.5Å; T245-L698 HydrophobicContact CG2-CB 3.83Å; T245-L698 HydrophobicContact CG2-CD1 3.29Å; T245-L698 HydrophobicContact CG2-CG 4.11Å | ||
| 246 | E | 93.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.8 | -45.4 | 179.6 | -47.7 | -171.1 | 136.6 | 0 | 0 | 112.5 | Q249 V250 H280 N282 V285 | E246-Q249 PolarHBondContact O-N 2.89Å; E246-V250 WeakPolarHBondContact O-CG2 3.27Å; E246-V250 PolarHBondContact O-N 3.01Å; E246-H280 IonicContact OE1-CE1 3.7Å; E246-H280 PolarHBondContact OE1-CE1 2.91Å; E246-H280 VanDerWaalsContact OE1-CE1 3.29Å; E246-N282 HydrophobicContact CG-CB 4.47Å; E246-N282 WeakPolarHBondContact OE1-CB 3.3Å; E246-N282 PolarHBondContact OE2-ND2 3.14Å; E246-V285 HydrophobicContact CB-CG2 4.15Å |
| 247 | W | 90.7 | Very high | 92.2 | Very high | 177 Ų | 177 | 36.7 Ų | 36.7 | 67% | 0.67 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.8 | -44.7 | 174.4 | -67.9 | 101 | 0 | 0 | 0 | 112.2 | T245 Q249 V250 F251 | T245-W247 VanDerWaalsContact C-N 3.31Å; T245-W247 PolarHBondContact O-N 3.45Å; W247-Q249 VanDerWaalsContact C-N 3.32Å; W247-Q249 PolarHBondContact O-N 3.12Å; W247-V250 PolarHBondContact O-N 3.39Å; W247-F251 HydrophobicContact CB-CE2 4.32Å; W247-F251 HydrophobicContact CE3-CZ 4.48Å; W247-F251 VanDerWaalsContact O-CD2 3.29Å; W247-F251 WeakPolarHBondContact O-CD2 3.38Å; W247-F251 WeakPolarHBondContact O-CG 3.08Å; W247-F251 PolarHBondContact O-N 3.4Å |
| 248 | G | 91.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T245 F251 I252 | T245-G248 CarbonylContact O-C 3.41Å; T245-G248 WeakPolarHBondContact O-CA 3.42Å; T245-G248 PolarHBondContact O-N 3.41Å; T245-G248 PolarHBondContact OG1-N 2.95Å; G248-F251 PolarHBondContact O-N 3.1Å; G248-I252 WeakPolarHBondContact O-CB 3.5Å; G248-I252 WeakPolarHBondContact O-CG1 3.47Å; G248-I252 PolarHBondContact O-N 2.61Å |
| 249 | Q | 95.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.1 | -71.9 | 179 | 60 | 0 | 0 | 111 | L241 C244 T245 E246 W247 I252 L253 R277 V285 | L241-Q249 HydrophobicContact CD1-CB 3.85Å; L241-Q249 HydrophobicContact CD1-CG 3.85Å; L241-Q249 WeakPolarHBondContact O-CG 3.29Å; C244-Q249 HydrophobicContact CB-CG 3.84Å; C244-Q249 PolarHBondContact O-NE2 2.98Å; T245-Q249 WeakPolarHBondContact O-CG 3.44Å; T245-Q249 PolarHBondContact O-N 3.5Å; E246-Q249 PolarHBondContact O-N 2.89Å; W247-Q249 VanDerWaalsContact C-N 3.32Å; W247-Q249 PolarHBondContact O-N 3.12Å; Q249-I252 PolarHBondContact O-N 3.19Å; Q249-L253 VanDerWaalsContact O-CB 3.3Å; Q249-L253 WeakPolarHBondContact O-CB 3.31Å; Q249-L253 WeakPolarHBondContact O-CD1 3.5Å; Q249-L253 WeakPolarHBondContact O-CG 3.28Å; Q249-L253 PolarHBondContact O-N 2.93Å; Q249-R277 VanDerWaalsContact OE1-NH1 3.08Å; Q249-V285 HydrophobicContact CB-CG1 4.36Å; Q249-V285 HydrophobicContact CB-CG2 4.3Å |
| 250 | V | 95.5 | Very high | 91.7 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.127 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E246 W247 I252 L253 D254 A284 V285 | E246-V250 WeakPolarHBondContact O-CG2 3.27Å; E246-V250 PolarHBondContact O-N 3.01Å; W247-V250 PolarHBondContact O-N 3.39Å; V250-I252 VanDerWaalsContact C-N 3.3Å; V250-I252 PolarHBondContact O-N 3.29Å; V250-L253 PolarHBondContact O-N 2.89Å; V250-D254 WeakPolarHBondContact O-CB 3.41Å; V250-D254 VanDerWaalsContact O-CG 3.22Å; V250-D254 PolarHBondContact O-N 2.94Å; V250-A284 HydrophobicContact CG2-CB 4.06Å; V250-V285 HydrophobicContact CG2-CG2 4.05Å |
| 251 | F | 93.6 | Very high | 91.5 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 30% | 0.303 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -41.7 | 178.6 | -58.7 | -34.5 | 0 | 0 | 0 | 112.7 | V208 A209 W247 G248 A255 | V208-F251 WeakPolarHBondContact CG1-O 3.32Å; A209-F251 HydrophobicContact CB-CB 4.32Å; A209-F251 HydrophobicContact CB-CD1 4.33Å; A209-F251 HydrophobicContact CB-CD2 3.8Å; A209-F251 HydrophobicContact CB-CE2 4.14Å; A209-F251 HydrophobicContact CB-CG 3.91Å; W247-F251 HydrophobicContact CB-CE2 4.32Å; W247-F251 HydrophobicContact CE3-CZ 4.48Å; W247-F251 VanDerWaalsContact O-CD2 3.29Å; W247-F251 WeakPolarHBondContact O-CD2 3.38Å; W247-F251 WeakPolarHBondContact O-CG 3.08Å; W247-F251 PolarHBondContact O-N 3.4Å; G248-F251 PolarHBondContact O-N 3.1Å; F251-A255 PolarHBondContact O-N 2.66Å; F251-A255 VanDerWaalsContact O-N 3.09Å |
| 252 | I | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 177.3 | -71.4 | 171.7 | 0 | 0 | 0 | 111.2 | A205 V208 L237 A240 L241 C244 G248 Q249 V250 D254 A255 I256 | A205-I252 HydrophobicContact CB-CD1 4.39Å; V208-I252 HydrophobicContact CG2-CG1 4.49Å; L237-I252 HydrophobicContact CB-CG2 3.9Å; A240-I252 HydrophobicContact CB-CD1 4.3Å; L241-I252 HydrophobicContact CB-CG2 4.35Å; L241-I252 HydrophobicContact CD1-CB 4.12Å; L241-I252 HydrophobicContact CD1-CG2 3.88Å; C244-I252 HydrophobicContact CB-CD1 4.43Å; C244-I252 WeakPolarHBondContact SG-CD1 3.49Å; G248-I252 WeakPolarHBondContact O-CB 3.5Å; G248-I252 WeakPolarHBondContact O-CG1 3.47Å; G248-I252 PolarHBondContact O-N 2.61Å; Q249-I252 PolarHBondContact O-N 3.19Å; V250-I252 VanDerWaalsContact C-N 3.3Å; V250-I252 PolarHBondContact O-N 3.29Å; I252-D254 VanDerWaalsContact C-N 3.29Å; I252-D254 PolarHBondContact O-N 3.13Å; I252-A255 PolarHBondContact O-N 3.03Å; I252-I256 HydrophobicContact CG2-CD1 3.61Å; I252-I256 HydrophobicContact CG2-CG1 4.33Å; I252-I256 VanDerWaalsContact O-CG1 3.25Å; I252-I256 WeakPolarHBondContact O-CG1 3.46Å; I252-I256 PolarHBondContact O-N 3.13Å |
| 253 | L | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 179.1 | -73.8 | 167 | 0 | 0 | 0 | 111.4 | L241 Q249 V250 I256 A257 V274 V285 T289 V292 | L241-L253 HydrophobicContact CD1-CD1 4.48Å; L241-L253 HydrophobicContact CD1-CD2 4.31Å; L241-L253 HydrophobicContact CD1-CG 3.95Å; L241-L253 HydrophobicContact CD2-CD2 4Å; Q249-L253 VanDerWaalsContact O-CB 3.3Å; Q249-L253 WeakPolarHBondContact O-CB 3.31Å; Q249-L253 WeakPolarHBondContact O-CD1 3.5Å; Q249-L253 WeakPolarHBondContact O-CG 3.28Å; Q249-L253 PolarHBondContact O-N 2.93Å; V250-L253 PolarHBondContact O-N 2.89Å; L253-I256 PolarHBondContact O-N 3.44Å; L253-A257 WeakPolarHBondContact O-CB 3.32Å; L253-A257 PolarHBondContact O-N 3.34Å; L253-V274 HydrophobicContact CD2-CB 4.25Å; L253-V274 HydrophobicContact CD2-CG1 4.01Å; L253-V285 HydrophobicContact CD1-CG1 4.1Å; L253-T289 WeakPolarHBondContact CD1-OG1 3.44Å; L253-V292 HydrophobicContact CB-CG2 4.3Å; L253-V292 HydrophobicContact CD2-CG2 4.14Å; L253-V292 WeakPolarHBondContact O-CG2 3.39Å |
| 254 | D | 92.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.2 | -72.3 | -6.2 | 0 | 0 | 0 | 111.6 | V250 I252 I256 A257 D258 K291 | V250-D254 WeakPolarHBondContact O-CB 3.41Å; V250-D254 VanDerWaalsContact O-CG 3.22Å; V250-D254 PolarHBondContact O-N 2.94Å; I252-D254 VanDerWaalsContact C-N 3.29Å; I252-D254 PolarHBondContact O-N 3.13Å; D254-I256 PolarHBondContact O-N 2.9Å; D254-A257 WeakPolarHBondContact O-CB 3.46Å; D254-A257 PolarHBondContact O-N 3.13Å; D254-D258 PolarHBondContact O-N 3.41Å; D254-K291 VanDerWaalsContact CG-NZ 3.31Å; D254-K291 VanDerWaalsContact OD1-CE 3.26Å; D254-K291 WeakPolarHBondContact OD1-CE 3.3Å; D254-K291 IonicContact OD1-NZ 3.95Å; D254-K291 PolarHBondContact OD1-NZ 2.97Å; D254-K291 IonicContact OD2-NZ 2.67Å |
| 255 | A | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V208 T212 F229 L237 F251 I252 A257 D258 Y259 | V208-A255 HydrophobicContact CG1-CB 3.43Å; V208-A255 VanDerWaalsContact CG1-CB 3.43Å; T212-A255 HydrophobicContact CG2-CB 4.18Å; F229-A255 HydrophobicContact CD2-CB 4.25Å; F229-A255 HydrophobicContact CE2-CB 3.73Å; F229-A255 HydrophobicContact CZ-CB 4.13Å; L237-A255 HydrophobicContact CD1-CB 4.49Å; F251-A255 PolarHBondContact O-N 2.66Å; F251-A255 VanDerWaalsContact O-N 3.09Å; I252-A255 PolarHBondContact O-N 3.03Å; A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 2.79Å; A255-D258 PolarHBondContact O-N 3.42Å; A255-Y259 PolarHBondContact O-N 3.4Å |
| 256 | I | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 174 | -66.6 | 164.5 | 0 | 0 | 0 | 110.7 | I234 L238 I252 L253 D254 D258 Y259 I270 V292 M296 | I234-I256 HydrophobicContact CD1-CG1 4.19Å; L238-I256 HydrophobicContact CD2-CD1 3.71Å; L238-I256 HydrophobicContact CG-CD1 3.95Å; I252-I256 HydrophobicContact CG2-CD1 3.61Å; I252-I256 HydrophobicContact CG2-CG1 4.33Å; I252-I256 VanDerWaalsContact O-CG1 3.25Å; I252-I256 WeakPolarHBondContact O-CG1 3.46Å; I252-I256 PolarHBondContact O-N 3.13Å; L253-I256 PolarHBondContact O-N 3.44Å; D254-I256 PolarHBondContact O-N 2.9Å; I256-D258 PolarHBondContact O-N 3.26Å; I256-Y259 WeakPolarHBondContact O-CB 3.46Å; I256-Y259 PolarHBondContact O-N 3.09Å; I256-I270 HydrophobicContact CG2-CG2 3.83Å; I256-V292 HydrophobicContact CB-CG2 4.44Å; I256-V292 HydrophobicContact CG2-CG1 3.82Å; I256-V292 HydrophobicContact CG2-CG2 4.31Å; I256-M296 HydrophobicContact CG2-CE 4.34Å; I256-M296 WeakPolarHBondContact O-CE 3.27Å |
| 257 | A | 91.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -23.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L253 D254 A255 K291 V292 K295 | L253-A257 WeakPolarHBondContact O-CB 3.32Å; L253-A257 PolarHBondContact O-N 3.34Å; D254-A257 WeakPolarHBondContact O-CB 3.46Å; D254-A257 PolarHBondContact O-N 3.13Å; A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 2.79Å; A257-K291 HydrophobicContact CB-CD 4.18Å; A257-K291 HydrophobicContact CB-CG 4.16Å; A257-V292 HydrophobicContact CB-CG2 3.83Å; A257-K295 WeakPolarHBondContact O-CD 3.19Å; A257-K295 VanDerWaalsContact O-CE 3.27Å; A257-K295 WeakPolarHBondContact O-CE 3.37Å; A257-K295 PolarHBondContact O-NZ 3.25Å |
| 258 | D | 87.7 | Confident | 90.7 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -86.7 | -19.8 | 175.3 | -73.6 | -28.8 | 0 | 0 | 0 | 113 | D254 A255 I256 K295 R620 | D254-D258 PolarHBondContact O-N 3.41Å; A255-D258 PolarHBondContact O-N 3.42Å; I256-D258 PolarHBondContact O-N 3.26Å; D258-K295 VanDerWaalsContact C-NZ 3.35Å; D258-K295 PolarHBondContact O-NZ 3.04Å; D258-R620 VanDerWaalsContact CG-NH1 3.26Å; D258-R620 IonicContact OD1-CZ 3.33Å; D258-R620 IonicContact OD1-NE 2.77Å; D258-R620 IonicContact OD1-NH1 2.61Å; D258-R620 PolarHBondContact OD1-NH1 3.31Å; D258-R620 IonicContact OD2-CZ 2.64Å; D258-R620 IonicContact OD2-NH1 3.13Å; D258-R620 PolarHBondContact OD2-NH1 3.28Å |
| 259 | Y | 90.5 | Very high | 90.7 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | trans | -67.1 | 147.9 | 175.1 | -179.2 | -110.6 | 0 | 0 | 0 | 113 | F229 G231 I234 A255 I256 P261 E266 I270 K295 | F229-Y259 WeakPolarHBondContact O-CD2 3.48Å; G231-Y259 WeakPolarHBondContact CA-OH 3.32Å; G231-Y259 PolarHBondContact N-OH 3.34Å; I234-Y259 HydrophobicContact CD1-CD1 4.23Å; I234-Y259 HydrophobicContact CD1-CD2 4.13Å; I234-Y259 HydrophobicContact CD1-CG 3.77Å; I234-Y259 HydrophobicContact CG1-CD1 3.8Å; I234-Y259 HydrophobicContact CG1-CD2 3.71Å; I234-Y259 HydrophobicContact CG1-CE1 4.05Å; I234-Y259 HydrophobicContact CG1-CE2 3.98Å; I234-Y259 HydrophobicContact CG1-CG 3.6Å; I234-Y259 HydrophobicContact CG2-CD1 4.29Å; I234-Y259 HydrophobicContact CG2-CE1 4.42Å; A255-Y259 PolarHBondContact O-N 3.4Å; I256-Y259 WeakPolarHBondContact O-CB 3.46Å; I256-Y259 PolarHBondContact O-N 3.09Å; Y259-P261 HydrophobicContact CD1-CG 4.33Å; Y259-P261 HydrophobicContact CE1-CB 4.46Å; Y259-P261 HydrophobicContact CE1-CG 4.33Å; Y259-E266 WeakPolarHBondContact CE1-OE1 3.37Å; Y259-E266 PolarHBondContact OH-OE1 2.67Å; Y259-I270 HydrophobicContact CD1-CD1 4.14Å; Y259-I270 HydrophobicContact CE1-CD1 4.17Å; Y259-K295 PolarHBondContact O-NZ 2.95Å | ||
| 260 | T | 87.7 | Confident | 90.6 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | trans | -117 | 105.5 | 176.5 | -61.3 | 0 | 0 | 0 | 0 | 108 | M299 | T260-M299 HydrophobicContact CG2-CE 3.51Š| ||
| 261 | P | 86.6 | Confident | 90.5 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | trans | -53.3 | 149.9 | 173.9 | -26.2 | 28.5 | 0 | 0 | 0 | 113.7 | Y259 E266 A267 I270 M296 M299 | Y259-P261 HydrophobicContact CD1-CG 4.33Å; Y259-P261 HydrophobicContact CE1-CB 4.46Å; Y259-P261 HydrophobicContact CE1-CG 4.33Å; P261-E266 WeakPolarHBondContact CA-OE2 3.21Å; P261-E266 HydrophobicContact CB-CB 4.24Å; P261-E266 HydrophobicContact CB-CG 4.19Å; P261-A267 HydrophobicContact CB-CB 4.16Å; P261-A267 HydrophobicContact CG-CB 4.06Å; P261-I270 HydrophobicContact CG-CD1 3.95Å; P261-M296 HydrophobicContact CG-CE 4.13Å; P261-M296 HydrophobicContact CG-SD 3.32Å; P261-M296 WeakPolarHBondContact CG-SD 3.41Å; P261-M299 HydrophobicContact CB-SD 3.92Å; P261-M299 WeakPolarHBondContact CD-SD 3.37Å; P261-M299 HydrophobicContact CG-SD 3.73Å | ||
| 262 | G | 83.3 | Confident | 90.4 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 76% | 0.763 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -79.1 | -29.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E266 | G262-E266 PolarHBondContact N-OE2 3.49Š|
| 263 | D | 85.8 | Confident | 90.4 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -147.1 | 168.1 | 179.2 | 72.2 | 2 | 0 | 0 | 0 | 113.7 | R265 E266 A267 | D263-R265 PolarHBondContact O-N 3.03Å; D263-R265 PolarHBondContact OD1-N 2.92Å; D263-E266 PolarHBondContact O-N 2.92Å; D263-E266 WeakPolarHBondContact OD1-CB 3.49Å; D263-E266 PolarHBondContact OD1-N 3.4Å; D263-A267 PolarHBondContact O-N 3.4Å; D263-A267 VanDerWaalsContact O-N 3.13Å |
| 264 | D | 86.7 | Confident | 90.4 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.9 | -34.4 | 177.1 | 167.3 | 64.1 | 0 | 0 | 0 | 112.2 | A267 Q268 V300 | D264-A267 PolarHBondContact O-N 2.97Å; D264-Q268 VanDerWaalsContact CG-NE2 3.27Å; D264-Q268 WeakPolarHBondContact O-CB 3.38Å; D264-Q268 VanDerWaalsContact O-CG 3.25Å; D264-Q268 WeakPolarHBondContact O-CG 3.5Å; D264-Q268 PolarHBondContact O-N 3.27Å; D264-Q268 PolarHBondContact OD1-NE2 3.11Å; D264-Q268 PolarHBondContact OD2-NE2 3.42Å; D264-V300 VanDerWaalsContact OD1-CA 3.25Å; D264-V300 WeakPolarHBondContact OD1-CA 3.35Å; D264-V300 WeakPolarHBondContact OD1-CG1 3.28Å |
| 265 | R | 88 | Confident | 90.4 | Very high | 196 Ų | 196 | 47.5 Ų | 47.5 | 74% | 0.74 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70.1 | -41 | -178.9 | -67.4 | -179.9 | 176.8 | 174.3 | 0.7 | 112.1 | D263 Q268 S269 | D263-R265 PolarHBondContact O-N 3.03Å; D263-R265 PolarHBondContact OD1-N 2.92Å; R265-Q268 PolarHBondContact O-N 2.74Å; R265-S269 WeakPolarHBondContact O-CB 3.5Å; R265-S269 PolarHBondContact O-N 3.28Å |
| 266 | E | 91 | Very high | 90.6 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -45 | 174 | -175.2 | 179.6 | -159.5 | 0 | 0 | 110.2 | Y259 P261 G262 D263 Q268 S269 I270 | Y259-E266 WeakPolarHBondContact CE1-OE1 3.37Å; Y259-E266 PolarHBondContact OH-OE1 2.67Å; P261-E266 WeakPolarHBondContact CA-OE2 3.21Å; P261-E266 HydrophobicContact CB-CB 4.24Å; P261-E266 HydrophobicContact CB-CG 4.19Å; G262-E266 PolarHBondContact N-OE2 3.49Å; D263-E266 PolarHBondContact O-N 2.92Å; D263-E266 WeakPolarHBondContact OD1-CB 3.49Å; D263-E266 PolarHBondContact OD1-N 3.4Å; E266-Q268 PolarHBondContact O-N 3.24Å; E266-S269 WeakPolarHBondContact O-CB 3.43Å; E266-S269 PolarHBondContact O-N 3.19Å; E266-S269 VanDerWaalsContact O-N 3.17Å; E266-I270 HydrophobicContact CG-CD1 4.14Å; E266-I270 WeakPolarHBondContact O-CG1 3.27Å; E266-I270 PolarHBondContact O-N 2.61Å |
| 267 | A | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | P261 D263 D264 S269 I270 I271 M299 V300 | P261-A267 HydrophobicContact CB-CB 4.16Å; P261-A267 HydrophobicContact CG-CB 4.06Å; D263-A267 PolarHBondContact O-N 3.4Å; D263-A267 VanDerWaalsContact O-N 3.13Å; D264-A267 PolarHBondContact O-N 2.97Å; A267-S269 PolarHBondContact O-N 3.45Å; A267-I270 PolarHBondContact O-N 2.93Å; A267-I271 WeakPolarHBondContact O-CG1 3.35Å; A267-I271 PolarHBondContact O-N 3.23Å; A267-M299 HydrophobicContact CB-CB 4.24Å; A267-V300 HydrophobicContact CB-CG2 4.15Å |
| 268 | Q | 90.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.9 | -72.1 | 174.2 | 14.9 | 0 | 0 | 112 | D264 R265 E266 I270 I271 E272 V300 T306 | D264-Q268 VanDerWaalsContact CG-NE2 3.27Å; D264-Q268 WeakPolarHBondContact O-CB 3.38Å; D264-Q268 VanDerWaalsContact O-CG 3.25Å; D264-Q268 WeakPolarHBondContact O-CG 3.5Å; D264-Q268 PolarHBondContact O-N 3.27Å; D264-Q268 PolarHBondContact OD1-NE2 3.11Å; D264-Q268 PolarHBondContact OD2-NE2 3.42Å; R265-Q268 PolarHBondContact O-N 2.74Å; E266-Q268 PolarHBondContact O-N 3.24Å; Q268-I270 VanDerWaalsContact C-N 3.34Å; Q268-I270 PolarHBondContact O-N 2.95Å; Q268-I271 PolarHBondContact O-N 3Å; Q268-E272 WeakPolarHBondContact O-CG 3.42Å; Q268-E272 PolarHBondContact O-N 3.4Å; Q268-V300 HydrophobicContact CG-CG1 4.33Å; Q268-V300 HydrophobicContact CG-CG2 3.92Å; Q268-T306 PolarHBondContact NE2-OG1 3.05Å |
| 269 | S | 91.2 | Very high | 91 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.2 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | R265 E266 A267 E272 R273 | R265-S269 WeakPolarHBondContact O-CB 3.5Å; R265-S269 PolarHBondContact O-N 3.28Å; E266-S269 WeakPolarHBondContact O-CB 3.43Å; E266-S269 PolarHBondContact O-N 3.19Å; E266-S269 VanDerWaalsContact O-N 3.17Å; A267-S269 PolarHBondContact O-N 3.45Å; S269-E272 PolarHBondContact O-N 3.36Å; S269-R273 WeakPolarHBondContact O-CG 3.42Å; S269-R273 PolarHBondContact O-N 3.34Å; S269-R273 VanDerWaalsContact O-N 3.11Å |
| 270 | I | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 174.7 | -67.2 | 167.8 | 0 | 0 | 0 | 109.8 | I234 L238 I256 Y259 P261 E266 A267 Q268 E272 R273 V274 V292 M296 | I234-I270 HydrophobicContact CG2-CD1 4.24Å; I234-I270 HydrophobicContact CG2-CG1 4.49Å; L238-I270 HydrophobicContact CD1-CG1 4.01Å; I256-I270 HydrophobicContact CG2-CG2 3.83Å; Y259-I270 HydrophobicContact CD1-CD1 4.14Å; Y259-I270 HydrophobicContact CE1-CD1 4.17Å; P261-I270 HydrophobicContact CG-CD1 3.95Å; E266-I270 HydrophobicContact CG-CD1 4.14Å; E266-I270 WeakPolarHBondContact O-CG1 3.27Å; E266-I270 PolarHBondContact O-N 2.61Å; A267-I270 PolarHBondContact O-N 2.93Å; Q268-I270 VanDerWaalsContact C-N 3.34Å; Q268-I270 PolarHBondContact O-N 2.95Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.17Å; I270-R273 PolarHBondContact O-N 2.99Å; I270-R273 VanDerWaalsContact O-N 3.14Å; I270-V274 HydrophobicContact CG2-CG1 4.37Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 2.86Å; I270-V292 HydrophobicContact CG2-CG1 4.11Å; I270-M296 HydrophobicContact CD1-CE 4.39Å; I270-M296 HydrophobicContact CD1-SD 4.25Å; I270-M296 HydrophobicContact CG2-CE 4.37Å; I270-M296 HydrophobicContact CG2-CG 4.22Å; I270-M296 HydrophobicContact CG2-SD 4.42Å |
| 271 | I | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 178.2 | -68.8 | 166.6 | 0 | 0 | 0 | 110.8 | A267 Q268 R273 V274 S275 I293 M296 L297 V300 V310 | A267-I271 WeakPolarHBondContact O-CG1 3.35Å; A267-I271 PolarHBondContact O-N 3.23Å; Q268-I271 PolarHBondContact O-N 3Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.33Å; I271-V274 PolarHBondContact O-N 3.19Å; I271-S275 WeakPolarHBondContact O-CB 3.39Å; I271-S275 PolarHBondContact O-N 3.18Å; I271-S275 PolarHBondContact O-OG 3.17Å; I271-I293 HydrophobicContact CG2-CG1 4.36Å; I271-I293 HydrophobicContact CG2-CG2 4.45Å; I271-M296 HydrophobicContact CD1-CB 3.68Å; I271-M296 HydrophobicContact CG1-CB 3.57Å; I271-M296 HydrophobicContact CG1-CG 4.29Å; I271-L297 HydrophobicContact CD1-CD2 4.3Å; I271-L297 HydrophobicContact CD1-CG 4.32Å; I271-V300 HydrophobicContact CD1-CG2 4.2Å; I271-V310 HydrophobicContact CG2-CB 4.46Å; I271-V310 HydrophobicContact CG2-CG1 3.87Å; I271-V310 HydrophobicContact CG2-CG2 3.65Å |
| 272 | E | 91.9 | Very high | 91.7 | Very high | 131 Ų | 131 | 57.7 Ų | 57.7 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 179.1 | -74.3 | -178.5 | 174.9 | 0 | 0 | 112.4 | Q268 S269 I270 | Q268-E272 WeakPolarHBondContact O-CG 3.42Å; Q268-E272 PolarHBondContact O-N 3.4Å; S269-E272 PolarHBondContact O-N 3.36Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.17Å |
| 273 | R | 94.3 | Very high | 92.2 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.9 | -29.9 | -179.3 | -71.7 | -152 | -66.8 | -179.7 | -9.6 | 114.4 | N235 L238 S269 I270 I271 P276 | N235-R273 PolarHBondContact O-NH1 3.23Å; N235-R273 PolarHBondContact OD1-NH2 3.1Å; L238-R273 HydrophobicContact CD2-CB 4.1Å; S269-R273 WeakPolarHBondContact O-CG 3.42Å; S269-R273 PolarHBondContact O-N 3.34Å; S269-R273 VanDerWaalsContact O-N 3.11Å; I270-R273 PolarHBondContact O-N 2.99Å; I270-R273 VanDerWaalsContact O-N 3.14Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.33Å; R273-P276 WeakPolarHBondContact O-CD 3.48Å |
| 274 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -84.8 | -22.6 | 174.8 | -56 | 0 | 0 | 0 | 0 | 112.8 | L238 L241 L253 I270 I271 P276 R277 T289 V292 I293 | L238-V274 HydrophobicContact CD2-CG1 3.51Å; L241-V274 HydrophobicContact CD2-CG1 4.2Å; L253-V274 HydrophobicContact CD2-CB 4.25Å; L253-V274 HydrophobicContact CD2-CG1 4.01Å; I270-V274 HydrophobicContact CG2-CG1 4.37Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 2.86Å; I271-V274 PolarHBondContact O-N 3.19Å; V274-P276 VanDerWaalsContact C-N 3.34Å; V274-P276 VanDerWaalsContact O-N 3.14Å; V274-R277 VanDerWaalsContact O-CB 3.26Å; V274-R277 WeakPolarHBondContact O-CB 3.35Å; V274-R277 PolarHBondContact O-N 2.84Å; V274-T289 HydrophobicContact CB-CG2 4.19Å; V274-T289 HydrophobicContact CG2-CG2 4.16Å; V274-T289 WeakPolarHBondContact O-CG2 3.49Å; V274-V292 HydrophobicContact CG1-CG1 4.4Å; V274-V292 HydrophobicContact CG2-CG1 4.18Å; V274-I293 HydrophobicContact CG2-CD1 4.24Å; V274-I293 HydrophobicContact CG2-CG1 3.83Å |
| 275 | S | 94 | Very high | 93 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -48.7 | -40.4 | -176.9 | -74.2 | 0 | 0 | 0 | 0 | 115.4 | I271 R277 L278 | I271-S275 WeakPolarHBondContact O-CB 3.39Å; I271-S275 PolarHBondContact O-N 3.18Å; I271-S275 PolarHBondContact O-OG 3.17Å; S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 VanDerWaalsContact O-N 3.12Å; S275-L278 VanDerWaalsContact O-CB 3.27Å; S275-L278 WeakPolarHBondContact O-CB 3.38Å; S275-L278 WeakPolarHBondContact O-CG 3.3Å; S275-L278 PolarHBondContact O-N 3.45Å; S275-L278 VanDerWaalsContact O-N 3.08Å |
| 276 | P | 94.3 | Very high | 93.4 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -59.3 | -23.5 | 177.3 | -25.5 | 36 | 0 | 0 | 0 | 114.3 | R273 V274 L278 A279 | R273-P276 WeakPolarHBondContact O-CD 3.48Å; V274-P276 VanDerWaalsContact C-N 3.34Å; V274-P276 VanDerWaalsContact O-N 3.14Å; P276-L278 VanDerWaalsContact C-N 3.25Å; P276-L278 PolarHBondContact O-N 3.27Å; P276-A279 PolarHBondContact O-N 2.86Å |
| 277 | R | 94.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -74.3 | -14 | 178.5 | -58.8 | -61.1 | 91.3 | 178.5 | 6 | 113.4 | L241 Q249 V274 S275 A279 H280 V285 T289 | L241-R277 HydrophobicContact CD2-CG 4.02Å; L241-R277 HydrophobicContact CG-CG 4.35Å; Q249-R277 VanDerWaalsContact OE1-NH1 3.08Å; V274-R277 VanDerWaalsContact O-CB 3.26Å; V274-R277 WeakPolarHBondContact O-CB 3.35Å; V274-R277 PolarHBondContact O-N 2.84Å; S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 VanDerWaalsContact O-N 3.12Å; R277-A279 PolarHBondContact O-N 2.73Å; R277-H280 WeakPolarHBondContact O-CB 3.45Å; R277-H280 PolarHBondContact O-N 3.09Å; R277-H280 VanDerWaalsContact O-N 3.13Å; R277-V285 HydrophobicContact CB-CG1 4.21Å; R277-T289 HydrophobicContact CB-CG2 4.02Å; R277-T289 VanDerWaalsContact CB-OG1 3.25Å; R277-T289 WeakPolarHBondContact CB-OG1 3.49Å |
| 278 | L | 94.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62.8 | -25.3 | 173.1 | -72 | 175.3 | 0 | 0 | 0 | 113.2 | S275 P276 H280 T289 V290 I293 L314 P317 | S275-L278 VanDerWaalsContact O-CB 3.27Å; S275-L278 WeakPolarHBondContact O-CB 3.38Å; S275-L278 WeakPolarHBondContact O-CG 3.3Å; S275-L278 PolarHBondContact O-N 3.45Å; S275-L278 VanDerWaalsContact O-N 3.08Å; P276-L278 VanDerWaalsContact C-N 3.25Å; P276-L278 PolarHBondContact O-N 3.27Å; L278-H280 VanDerWaalsContact C-N 3.32Å; L278-T289 HydrophobicContact CD2-CG2 3.72Å; L278-T289 HydrophobicContact CG-CG2 3.81Å; L278-V290 HydrophobicContact CD2-CG2 3.71Å; L278-I293 HydrophobicContact CD1-CD1 3.7Å; L278-I293 HydrophobicContact CD2-CD1 4.03Å; L278-I293 HydrophobicContact CG-CD1 3.99Å; L278-L314 HydrophobicContact CD1-CD2 4.11Å; L278-L314 HydrophobicContact CD2-CD2 4.03Å; L278-P317 HydrophobicContact CB-CB 4.18Å; L278-P317 HydrophobicContact CB-CG 3.65Å; L278-P317 HydrophobicContact CD1-CG 4.3Å; L278-P317 HydrophobicContact CD2-CB 4.3Å; L278-P317 HydrophobicContact CD2-CG 4.28Å; L278-P317 HydrophobicContact CG-CG 4.31Å; L278-P317 WeakPolarHBondContact O-CB 3.47Å |
| 279 | A | 92.7 | Very high | 94.2 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 78% | 0.777 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -92.1 | 11.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P276 R277 | P276-A279 PolarHBondContact O-N 2.86Å; R277-A279 PolarHBondContact O-N 2.73Å |
| 280 | H | 94.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | trans | -70.5 | 148.6 | -178.3 | -165.1 | -87.6 | 0 | 0 | 0 | 111.8 | E246 R277 L278 N282 V285 V286 | E246-H280 IonicContact OE1-CE1 3.7Å; E246-H280 PolarHBondContact OE1-CE1 2.91Å; E246-H280 VanDerWaalsContact OE1-CE1 3.29Å; R277-H280 WeakPolarHBondContact O-CB 3.45Å; R277-H280 PolarHBondContact O-N 3.09Å; R277-H280 VanDerWaalsContact O-N 3.13Å; L278-H280 VanDerWaalsContact C-N 3.32Å; H280-N282 PolarHBondContact ND1-N 3.42Å; H280-V285 HydrophobicContact CB-CB 4.22Å; H280-V285 HydrophobicContact CB-CG1 3.9Å; H280-V286 HydrophobicContact CB-CG2 4.26Å; H280-V286 VanDerWaalsContact O-CG2 3.24Å; H280-V286 WeakPolarHBondContact O-CG2 3.41Å | ||
| 281 | A | 91.3 | Very high | 94.6 | Very high | 104 Ų | 104 | 35.9 Ų | 35.9 | 86% | 0.86 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -69.5 | -39.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A283 | A281-A283 PolarHBondContact O-N 3.02Š|
| 282 | N | 92.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -75 | 120.1 | 178.5 | -172.9 | -29.4 | 0 | 0 | 0 | 112.3 | E246 H280 A284 V285 V286 | E246-N282 HydrophobicContact CG-CB 4.47Å; E246-N282 WeakPolarHBondContact OE1-CB 3.3Å; E246-N282 PolarHBondContact OE2-ND2 3.14Å; H280-N282 PolarHBondContact ND1-N 3.42Å; N282-A284 VanDerWaalsContact C-N 3.26Å; N282-A284 PolarHBondContact O-N 3.3Å; N282-A284 VanDerWaalsContact OD1-CB 3.32Å; N282-A284 WeakPolarHBondContact OD1-CB 3.49Å; N282-A284 PolarHBondContact OD1-N 2.91Å; N282-V285 HydrophobicContact CB-CG2 4.18Å; N282-V285 PolarHBondContact O-N 3.08Å; N282-V285 VanDerWaalsContact O-N 3.16Å; N282-V286 PolarHBondContact O-N 3.44Å |
| 283 | A | 93.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.7 | -33.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A281 V286 L287 L321 I328 | A281-A283 PolarHBondContact O-N 3.02Å; A283-V286 PolarHBondContact O-N 2.61Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 WeakPolarHBondContact O-CG 3.43Å; A283-L287 PolarHBondContact O-N 3.08Å; A283-L321 HydrophobicContact CB-CD2 3.49Å; A283-L321 VanDerWaalsContact CB-CD2 3.49Å; A283-I328 HydrophobicContact CB-CG2 3.83Å |
| 284 | A | 94 | Very high | 94.7 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 34% | 0.339 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V250 N282 V286 S288 | V250-A284 HydrophobicContact CG2-CB 4.06Å; N282-A284 VanDerWaalsContact C-N 3.26Å; N282-A284 PolarHBondContact O-N 3.3Å; N282-A284 VanDerWaalsContact OD1-CB 3.32Å; N282-A284 WeakPolarHBondContact OD1-CB 3.49Å; N282-A284 PolarHBondContact OD1-N 2.91Å; A284-V286 VanDerWaalsContact C-N 3.35Å; A284-S288 VanDerWaalsContact O-CB 3.29Å; A284-S288 WeakPolarHBondContact O-CB 3.47Å; A284-S288 PolarHBondContact O-N 3.03Å; A284-S288 PolarHBondContact O-OG 2.97Å |
| 285 | V | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | E246 Q249 V250 L253 R277 H280 N282 S288 T289 | E246-V285 HydrophobicContact CB-CG2 4.15Å; Q249-V285 HydrophobicContact CB-CG1 4.36Å; Q249-V285 HydrophobicContact CB-CG2 4.3Å; V250-V285 HydrophobicContact CG2-CG2 4.05Å; L253-V285 HydrophobicContact CD1-CG1 4.1Å; R277-V285 HydrophobicContact CB-CG1 4.21Å; H280-V285 HydrophobicContact CB-CB 4.22Å; H280-V285 HydrophobicContact CB-CG1 3.9Å; N282-V285 HydrophobicContact CB-CG2 4.18Å; N282-V285 PolarHBondContact O-N 3.08Å; N282-V285 VanDerWaalsContact O-N 3.16Å; V285-S288 PolarHBondContact O-N 3.15Å; V285-T289 WeakPolarHBondContact O-CB 3.39Å; V285-T289 PolarHBondContact O-N 3.48Å; V285-T289 PolarHBondContact O-OG1 3Å |
| 286 | V | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -51.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 111 | H280 N282 A283 A284 S288 T289 V290 P317 L321 | H280-V286 HydrophobicContact CB-CG2 4.26Å; H280-V286 VanDerWaalsContact O-CG2 3.24Å; H280-V286 WeakPolarHBondContact O-CG2 3.41Å; N282-V286 PolarHBondContact O-N 3.44Å; A283-V286 PolarHBondContact O-N 2.61Å; A284-V286 VanDerWaalsContact C-N 3.35Å; V286-S288 VanDerWaalsContact C-N 3.35Å; V286-S288 PolarHBondContact O-N 3.4Å; V286-T289 WeakPolarHBondContact O-CB 3.46Å; V286-T289 PolarHBondContact O-N 3.1Å; V286-T289 VanDerWaalsContact O-N 3.15Å; V286-V290 HydrophobicContact CG1-CG2 4.47Å; V286-V290 WeakPolarHBondContact O-CG2 3.11Å; V286-V290 PolarHBondContact O-N 3.3Å; V286-P317 HydrophobicContact CG1-CB 4.01Å; V286-L321 HydrophobicContact CB-CD2 4.19Å; V286-L321 HydrophobicContact CG1-CD1 4.18Å; V286-L321 HydrophobicContact CG1-CD2 4.21Å; V286-L321 HydrophobicContact CG1-CG 4.27Å |
| 287 | L | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | -179.8 | -73.1 | 173.7 | 0 | 0 | 0 | 112.4 | A283 T289 V290 K291 L321 V331 N335 A598 | A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 WeakPolarHBondContact O-CG 3.43Å; A283-L287 PolarHBondContact O-N 3.08Å; L287-T289 VanDerWaalsContact C-N 3.32Å; L287-V290 PolarHBondContact O-N 3.27Å; L287-K291 PolarHBondContact O-N 2.76Å; L287-L321 HydrophobicContact CD2-CD1 3.62Å; L287-L321 HydrophobicContact CG-CD1 3.92Å; L287-V331 HydrophobicContact CD1-CG1 4.41Å; L287-N335 HydrophobicContact CD2-CB 4.01Å; L287-A598 HydrophobicContact CB-CB 3.69Å; L287-A598 HydrophobicContact CD1-CB 4.47Å |
| 288 | S | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 174.8 | -53 | 0 | 0 | 0 | 0 | 111.4 | A284 V285 V286 K291 V292 | A284-S288 VanDerWaalsContact O-CB 3.29Å; A284-S288 WeakPolarHBondContact O-CB 3.47Å; A284-S288 PolarHBondContact O-N 3.03Å; A284-S288 PolarHBondContact O-OG 2.97Å; V285-S288 PolarHBondContact O-N 3.15Å; V286-S288 VanDerWaalsContact C-N 3.35Å; V286-S288 PolarHBondContact O-N 3.4Å; S288-K291 WeakPolarHBondContact O-CB 3.27Å; S288-K291 PolarHBondContact O-N 3.43Å; S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 3.44Å; S288-V292 VanDerWaalsContact O-N 3.11Å |
| 289 | T | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 172.9 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | L253 V274 R277 L278 V285 V286 L287 K291 V292 I293 | L253-T289 WeakPolarHBondContact CD1-OG1 3.44Å; V274-T289 HydrophobicContact CB-CG2 4.19Å; V274-T289 HydrophobicContact CG2-CG2 4.16Å; V274-T289 WeakPolarHBondContact O-CG2 3.49Å; R277-T289 HydrophobicContact CB-CG2 4.02Å; R277-T289 VanDerWaalsContact CB-OG1 3.25Å; R277-T289 WeakPolarHBondContact CB-OG1 3.49Å; L278-T289 HydrophobicContact CD2-CG2 3.72Å; L278-T289 HydrophobicContact CG-CG2 3.81Å; V285-T289 WeakPolarHBondContact O-CB 3.39Å; V285-T289 PolarHBondContact O-N 3.48Å; V285-T289 PolarHBondContact O-OG1 3Å; V286-T289 WeakPolarHBondContact O-CB 3.46Å; V286-T289 PolarHBondContact O-N 3.1Å; V286-T289 VanDerWaalsContact O-N 3.15Å; L287-T289 VanDerWaalsContact C-N 3.32Å; T289-K291 VanDerWaalsContact C-N 3.3Å; T289-K291 PolarHBondContact O-N 2.99Å; T289-V292 PolarHBondContact O-N 3.11Å; T289-I293 HydrophobicContact CG2-CD1 3.97Å; T289-I293 WeakPolarHBondContact O-CG1 3.38Å; T289-I293 PolarHBondContact O-N 2.95Å |
| 290 | V | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L278 V286 L287 V292 I293 M294 L314 L318 I339 L597 | L278-V290 HydrophobicContact CD2-CG2 3.71Å; V286-V290 HydrophobicContact CG1-CG2 4.47Å; V286-V290 WeakPolarHBondContact O-CG2 3.11Å; V286-V290 PolarHBondContact O-N 3.3Å; L287-V290 PolarHBondContact O-N 3.27Å; V290-V292 PolarHBondContact O-N 3.26Å; V290-I293 PolarHBondContact O-N 2.92Å; V290-M294 HydrophobicContact CG1-CG 3.94Å; V290-M294 WeakPolarHBondContact O-CB 3.46Å; V290-M294 VanDerWaalsContact O-CG 3.22Å; V290-M294 WeakPolarHBondContact O-CG 3.39Å; V290-M294 PolarHBondContact O-N 2.78Å; V290-L314 HydrophobicContact CG2-CD2 4.14Å; V290-L318 HydrophobicContact CG1-CD2 4.43Å; V290-L318 HydrophobicContact CG2-CD2 4.17Å; V290-I339 HydrophobicContact CG1-CD1 3.65Å; V290-I339 HydrophobicContact CG1-CG1 4.46Å; V290-L597 HydrophobicContact CG1-CD1 4.42Å |
| 291 | K | 95.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 20.3 Ų | 20.3 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.7 | -51.9 | 174.3 | -178.5 | 176.1 | 56.3 | -173.5 | 0 | 112 | D254 A257 L287 S288 T289 I293 M294 K295 C595 L597 | D254-K291 VanDerWaalsContact CG-NZ 3.31Å; D254-K291 VanDerWaalsContact OD1-CE 3.26Å; D254-K291 WeakPolarHBondContact OD1-CE 3.3Å; D254-K291 IonicContact OD1-NZ 3.95Å; D254-K291 PolarHBondContact OD1-NZ 2.97Å; D254-K291 IonicContact OD2-NZ 2.67Å; A257-K291 HydrophobicContact CB-CD 4.18Å; A257-K291 HydrophobicContact CB-CG 4.16Å; L287-K291 PolarHBondContact O-N 2.76Å; S288-K291 WeakPolarHBondContact O-CB 3.27Å; S288-K291 PolarHBondContact O-N 3.43Å; T289-K291 VanDerWaalsContact C-N 3.3Å; T289-K291 PolarHBondContact O-N 2.99Å; K291-I293 PolarHBondContact O-N 3.15Å; K291-M294 PolarHBondContact O-N 3.09Å; K291-K295 PolarHBondContact O-N 3.13Å; K291-K295 VanDerWaalsContact O-N 3.1Å; K291-C595 WeakPolarHBondContact CD-O 3.25Å; K291-L597 HydrophobicContact CB-CB 3.95Å; K291-L597 HydrophobicContact CD-CB 4.42Å; K291-L597 HydrophobicContact CG-CB 4.2Å |
| 292 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 176.7 | 175 | 0 | 0 | 0 | 0 | 109.9 | L253 I256 A257 I270 V274 S288 T289 V290 M294 K295 M296 | L253-V292 HydrophobicContact CB-CG2 4.3Å; L253-V292 HydrophobicContact CD2-CG2 4.14Å; L253-V292 WeakPolarHBondContact O-CG2 3.39Å; I256-V292 HydrophobicContact CB-CG2 4.44Å; I256-V292 HydrophobicContact CG2-CG1 3.82Å; I256-V292 HydrophobicContact CG2-CG2 4.31Å; A257-V292 HydrophobicContact CB-CG2 3.83Å; I270-V292 HydrophobicContact CG2-CG1 4.11Å; V274-V292 HydrophobicContact CG1-CG1 4.4Å; V274-V292 HydrophobicContact CG2-CG1 4.18Å; S288-V292 WeakPolarHBondContact O-CG2 3.29Å; S288-V292 PolarHBondContact O-N 3.44Å; S288-V292 VanDerWaalsContact O-N 3.11Å; T289-V292 PolarHBondContact O-N 3.11Å; V290-V292 PolarHBondContact O-N 3.26Å; V292-M294 PolarHBondContact O-N 3.24Å; V292-K295 PolarHBondContact O-N 3.25Å; V292-M296 HydrophobicContact CG1-CE 4.32Å; V292-M296 HydrophobicContact CG1-CG 4.03Å; V292-M296 WeakPolarHBondContact O-CG 3.15Å; V292-M296 PolarHBondContact O-N 3.48Å |
| 293 | I | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -176.5 | -66.8 | 172.8 | 0 | 0 | 0 | 111.6 | I271 V274 L278 T289 V290 K291 K295 M296 L297 V310 L314 | I271-I293 HydrophobicContact CG2-CG1 4.36Å; I271-I293 HydrophobicContact CG2-CG2 4.45Å; V274-I293 HydrophobicContact CG2-CD1 4.24Å; V274-I293 HydrophobicContact CG2-CG1 3.83Å; L278-I293 HydrophobicContact CD1-CD1 3.7Å; L278-I293 HydrophobicContact CD2-CD1 4.03Å; L278-I293 HydrophobicContact CG-CD1 3.99Å; T289-I293 HydrophobicContact CG2-CD1 3.97Å; T289-I293 WeakPolarHBondContact O-CG1 3.38Å; T289-I293 PolarHBondContact O-N 2.95Å; V290-I293 PolarHBondContact O-N 2.92Å; K291-I293 PolarHBondContact O-N 3.15Å; I293-K295 VanDerWaalsContact C-N 3.3Å; I293-K295 PolarHBondContact O-N 3.44Å; I293-M296 PolarHBondContact O-N 3.31Å; I293-L297 HydrophobicContact CG2-CD1 3.85Å; I293-L297 HydrophobicContact CG2-CG 4.13Å; I293-L297 VanDerWaalsContact O-CB 3.31Å; I293-L297 WeakPolarHBondContact O-CB 3.01Å; I293-L297 VanDerWaalsContact O-CG 3.27Å; I293-L297 WeakPolarHBondContact O-CG 3.31Å; I293-L297 PolarHBondContact O-N 3.03Å; I293-V310 HydrophobicContact CG2-CG1 3.41Å; I293-V310 VanDerWaalsContact CG2-CG1 3.41Å; I293-L314 HydrophobicContact CB-CD2 4.37Å; I293-L314 HydrophobicContact CD1-CD2 4.06Å; I293-L314 HydrophobicContact CG2-CD1 4Å; I293-L314 HydrophobicContact CG2-CD2 4.04Å; I293-L314 HydrophobicContact CG2-CG 4.33Å |
| 294 | M | 92.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 179.1 | -72.6 | -65.4 | -67.5 | 0 | 0 | 111.8 | V290 K291 V292 L314 I339 K342 R343 I346 I594 L597 | V290-M294 HydrophobicContact CG1-CG 3.94Å; V290-M294 WeakPolarHBondContact O-CB 3.46Å; V290-M294 VanDerWaalsContact O-CG 3.22Å; V290-M294 WeakPolarHBondContact O-CG 3.39Å; V290-M294 PolarHBondContact O-N 2.78Å; K291-M294 PolarHBondContact O-N 3.09Å; V292-M294 PolarHBondContact O-N 3.24Å; M294-L314 HydrophobicContact SD-CD1 4.13Å; M294-I339 HydrophobicContact CE-CG2 4.12Å; M294-I339 HydrophobicContact SD-CG2 4.19Å; M294-K342 HydrophobicContact CE-CB 4.32Å; M294-K342 HydrophobicContact CE-CG 4.29Å; M294-R343 HydrophobicContact CE-CG 4.06Å; M294-I346 HydrophobicContact SD-CD1 4.19Å; M294-I594 HydrophobicContact CB-CG2 3.96Å; M294-L597 HydrophobicContact CG-CD1 4.4Å |
| 295 | K | 91.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -47.9 | 174.9 | -171.6 | -172.9 | -178.3 | -160.4 | 0 | 112 | A257 D258 Y259 K291 V292 I293 L297 E298 L622 | A257-K295 WeakPolarHBondContact O-CD 3.19Å; A257-K295 VanDerWaalsContact O-CE 3.27Å; A257-K295 WeakPolarHBondContact O-CE 3.37Å; A257-K295 PolarHBondContact O-NZ 3.25Å; D258-K295 VanDerWaalsContact C-NZ 3.35Å; D258-K295 PolarHBondContact O-NZ 3.04Å; Y259-K295 PolarHBondContact O-NZ 2.95Å; K291-K295 PolarHBondContact O-N 3.13Å; K291-K295 VanDerWaalsContact O-N 3.1Å; V292-K295 PolarHBondContact O-N 3.25Å; I293-K295 VanDerWaalsContact C-N 3.3Å; I293-K295 PolarHBondContact O-N 3.44Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.03Å; K295-E298 PolarHBondContact O-N 3.46Å; K295-E298 VanDerWaalsContact O-N 3.16Å; K295-L622 HydrophobicContact CB-CD2 4.25Å; K295-L622 HydrophobicContact CG-CD2 4.08Å |
| 296 | M | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -34 | -178.6 | -63.3 | -59.7 | 156.2 | 0 | 0 | 111.7 | I256 P261 I270 I271 V292 I293 E298 M299 V300 | I256-M296 HydrophobicContact CG2-CE 4.34Å; I256-M296 WeakPolarHBondContact O-CE 3.27Å; P261-M296 HydrophobicContact CG-CE 4.13Å; P261-M296 HydrophobicContact CG-SD 3.32Å; P261-M296 WeakPolarHBondContact CG-SD 3.41Å; I270-M296 HydrophobicContact CD1-CE 4.39Å; I270-M296 HydrophobicContact CD1-SD 4.25Å; I270-M296 HydrophobicContact CG2-CE 4.37Å; I270-M296 HydrophobicContact CG2-CG 4.22Å; I270-M296 HydrophobicContact CG2-SD 4.42Å; I271-M296 HydrophobicContact CD1-CB 3.68Å; I271-M296 HydrophobicContact CG1-CB 3.57Å; I271-M296 HydrophobicContact CG1-CG 4.29Å; V292-M296 HydrophobicContact CG1-CE 4.32Å; V292-M296 HydrophobicContact CG1-CG 4.03Å; V292-M296 WeakPolarHBondContact O-CG 3.15Å; V292-M296 PolarHBondContact O-N 3.48Å; I293-M296 PolarHBondContact O-N 3.31Å; M296-E298 PolarHBondContact O-N 3.47Å; M296-M299 PolarHBondContact O-N 3.35Å; M296-M299 VanDerWaalsContact O-N 3.07Å; M296-V300 PolarHBondContact O-N 3.06Å |
| 297 | L | 89.7 | Confident | 89.1 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.7 | 176.2 | -83.2 | 174.5 | 0 | 0 | 0 | 114.2 | I271 I293 K295 M299 V300 A307 V310 I311 L314 | I271-L297 HydrophobicContact CD1-CD2 4.3Å; I271-L297 HydrophobicContact CD1-CG 4.32Å; I293-L297 HydrophobicContact CG2-CD1 3.85Å; I293-L297 HydrophobicContact CG2-CG 4.13Å; I293-L297 VanDerWaalsContact O-CB 3.31Å; I293-L297 WeakPolarHBondContact O-CB 3.01Å; I293-L297 VanDerWaalsContact O-CG 3.27Å; I293-L297 WeakPolarHBondContact O-CG 3.31Å; I293-L297 PolarHBondContact O-N 3.03Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.03Å; L297-M299 PolarHBondContact O-N 3.06Å; L297-V300 PolarHBondContact O-N 3.28Å; L297-A307 HydrophobicContact CD2-CB 4.24Å; L297-V310 HydrophobicContact CD1-CG1 3.99Å; L297-V310 HydrophobicContact CD2-CB 4.19Å; L297-V310 HydrophobicContact CD2-CG1 4.04Å; L297-V310 HydrophobicContact CG-CG1 4.21Å; L297-I311 HydrophobicContact CD1-CG1 4.26Å; L297-L314 HydrophobicContact CD1-CD1 4.22Å |
| 298 | E | 88.4 | Confident | 88.6 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.6 | 175.1 | -66.8 | -56.1 | 131.9 | 0 | 0 | 112.9 | K295 M296 K342 R343 L622 R625 | K295-E298 PolarHBondContact O-N 3.46Å; K295-E298 VanDerWaalsContact O-N 3.16Å; M296-E298 PolarHBondContact O-N 3.47Å; E298-K342 WeakPolarHBondContact OE1-CE 3.16Å; E298-K342 IonicContact OE2-NZ 2.87Å; E298-R343 IonicContact OE1-CZ 3.92Å; E298-R343 IonicContact OE1-NE 3.87Å; E298-R343 IonicContact OE1-NH2 2.99Å; E298-R343 PolarHBondContact OE1-NH2 2.81Å; E298-R343 IonicContact OE2-NH2 3.75Å; E298-L622 HydrophobicContact CG-CB 4.5Å; E298-L622 HydrophobicContact CG-CD1 4.1Å; E298-L622 HydrophobicContact CG-CD2 4.24Å; E298-R625 IonicContact OE2-CZ 3.02Å; E298-R625 IonicContact OE2-NE 2.7Å; E298-R625 PolarHBondContact OE2-NE 3.25Å; E298-R625 IonicContact OE2-NH2 2.66Å |
| 299 | M | 85.3 | Confident | 88.2 | Confident | 44 Ų | 44 | 34 Ų | 34 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -94.3 | -11.2 | 173.1 | -59 | -172.7 | 179.7 | 0 | 0 | 113.3 | T260 P261 A267 M296 L297 P623 | T260-M299 HydrophobicContact CG2-CE 3.51Å; P261-M299 HydrophobicContact CB-SD 3.92Å; P261-M299 WeakPolarHBondContact CD-SD 3.37Å; P261-M299 HydrophobicContact CG-SD 3.73Å; A267-M299 HydrophobicContact CB-CB 4.24Å; M296-M299 PolarHBondContact O-N 3.35Å; M296-M299 VanDerWaalsContact O-N 3.07Å; L297-M299 PolarHBondContact O-N 3.06Å; M299-P623 HydrophobicContact CE-CB 3.88Å; M299-P623 HydrophobicContact CE-CG 3.24Å; M299-P623 HydrophobicContact CG-CB 4.35Å; M299-P623 HydrophobicContact CG-CG 4.11Å |
| 300 | V | 87.2 | Confident | 87.8 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -91.8 | 140.3 | 179.6 | 177 | 0 | 0 | 0 | 0 | 110 | D264 A267 Q268 I271 M296 L297 P302 A307 | D264-V300 VanDerWaalsContact OD1-CA 3.25Å; D264-V300 WeakPolarHBondContact OD1-CA 3.35Å; D264-V300 WeakPolarHBondContact OD1-CG1 3.28Å; A267-V300 HydrophobicContact CB-CG2 4.15Å; Q268-V300 HydrophobicContact CG-CG1 4.33Å; Q268-V300 HydrophobicContact CG-CG2 3.92Å; I271-V300 HydrophobicContact CD1-CG2 4.2Å; M296-V300 PolarHBondContact O-N 3.06Å; L297-V300 PolarHBondContact O-N 3.28Å; V300-P302 WeakPolarHBondContact O-CD 3.48Å; V300-P302 VanDerWaalsContact O-N 3.16Å; V300-A307 HydrophobicContact CG1-CB 4.09Å |
| 301 | D | 83 | Confident | 87.5 | Confident | 93 Ų | 93 | 35.4 Ų | 35.4 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | trans | -57 | 119.2 | 174.7 | -179.6 | 0.5 | 0 | 0 | 0 | 110.3 | A303 S304 | D301-A303 PolarHBondContact O-N 2.86Å; D301-A303 WeakPolarHBondContact OD1-CB 3.38Å; D301-A303 PolarHBondContact OD1-N 3.09Å; D301-S304 WeakPolarHBondContact O-CB 3.36Å; D301-S304 PolarHBondContact O-N 3.49Å | ||
| 302 | P | 75.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 43 Ų | 43 | 47% | 0.468 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23 | 179.9 | 25.5 | -35.7 | 0 | 0 | 0 | 113.6 | V300 S304 | V300-P302 WeakPolarHBondContact O-CD 3.48Å; V300-P302 VanDerWaalsContact O-N 3.16Å; P302-S304 PolarHBondContact O-N 2.98Å |
| 303 | A | 79.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 70% | 0.702 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D301 | D301-A303 PolarHBondContact O-N 2.86Å; D301-A303 WeakPolarHBondContact OD1-CB 3.38Å; D301-A303 PolarHBondContact OD1-N 3.09Å |
| 304 | S | 83.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.9 | 141.5 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | D301 P302 T306 A307 S308 | D301-S304 WeakPolarHBondContact O-CB 3.36Å; D301-S304 PolarHBondContact O-N 3.49Å; P302-S304 PolarHBondContact O-N 2.98Å; S304-T306 WeakPolarHBondContact CB-OG1 3.35Å; S304-T306 PolarHBondContact O-N 3.44Å; S304-T306 PolarHBondContact OG-N 3Å; S304-T306 PolarHBondContact OG-OG1 3.49Å; S304-A307 PolarHBondContact O-N 3.34Å; S304-S308 PolarHBondContact O-N 3.28Å |
| 305 | E | 83.7 | Confident | 86.7 | Confident | 162 Ų | 162 | 49.1 Ų | 49.1 | 76% | 0.757 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.6 | -31.2 | 170.8 | -173.3 | 176.3 | -175.3 | 0 | 0 | 111.6 | S308 T309 | E305-S308 PolarHBondContact O-N 3.46Å; E305-T309 WeakPolarHBondContact O-CB 3.09Å; E305-T309 PolarHBondContact O-N 2.96Å; E305-T309 PolarHBondContact O-OG1 3.39Å |
| 306 | T | 82.6 | Confident | 86.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 111 | Q268 S304 S308 T309 V310 | Q268-T306 PolarHBondContact NE2-OG1 3.05Å; S304-T306 WeakPolarHBondContact CB-OG1 3.35Å; S304-T306 PolarHBondContact O-N 3.44Å; S304-T306 PolarHBondContact OG-N 3Å; S304-T306 PolarHBondContact OG-OG1 3.49Å; T306-S308 PolarHBondContact O-N 3.13Å; T306-T309 WeakPolarHBondContact O-CB 3.21Å; T306-T309 PolarHBondContact O-N 2.9Å; T306-T309 VanDerWaalsContact O-N 3.14Å; T306-V310 VanDerWaalsContact O-CG2 3.24Å; T306-V310 WeakPolarHBondContact O-CG2 2.97Å; T306-V310 PolarHBondContact O-N 2.99Å |
| 307 | A | 84.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L297 V300 S304 T309 V310 I311 | L297-A307 HydrophobicContact CD2-CB 4.24Å; V300-A307 HydrophobicContact CG1-CB 4.09Å; S304-A307 PolarHBondContact O-N 3.34Å; A307-T309 VanDerWaalsContact C-N 3.28Å; A307-T309 PolarHBondContact O-N 3.22Å; A307-V310 PolarHBondContact O-N 2.91Å; A307-I311 WeakPolarHBondContact O-CB 3.46Å; A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 3.12Å |
| 308 | S | 85.7 | Confident | 87.1 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 43% | 0.427 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 177 | -69 | 0 | 0 | 0 | 0 | 112.9 | S304 E305 T306 R312 | S304-S308 PolarHBondContact O-N 3.28Å; E305-S308 PolarHBondContact O-N 3.46Å; T306-S308 PolarHBondContact O-N 3.13Å; S308-R312 PolarHBondContact O-N 3.02Å |
| 309 | T | 88.4 | Confident | 87.3 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70 | -43.5 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | E305 T306 A307 R312 K313 | E305-T309 WeakPolarHBondContact O-CB 3.09Å; E305-T309 PolarHBondContact O-N 2.96Å; E305-T309 PolarHBondContact O-OG1 3.39Å; T306-T309 WeakPolarHBondContact O-CB 3.21Å; T306-T309 PolarHBondContact O-N 2.9Å; T306-T309 VanDerWaalsContact O-N 3.14Å; A307-T309 VanDerWaalsContact C-N 3.28Å; A307-T309 PolarHBondContact O-N 3.22Å; T309-R312 PolarHBondContact O-N 3.46Å; T309-K313 HydrophobicContact CG2-CD 4.26Å; T309-K313 WeakPolarHBondContact O-CG 3.42Å; T309-K313 PolarHBondContact O-N 2.66Å |
| 310 | V | 88.8 | Confident | 87.7 | Confident | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 179.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I271 I293 L297 T306 A307 R312 K313 L314 | I271-V310 HydrophobicContact CG2-CB 4.46Å; I271-V310 HydrophobicContact CG2-CG1 3.87Å; I271-V310 HydrophobicContact CG2-CG2 3.65Å; I293-V310 HydrophobicContact CG2-CG1 3.41Å; I293-V310 VanDerWaalsContact CG2-CG1 3.41Å; L297-V310 HydrophobicContact CD1-CG1 3.99Å; L297-V310 HydrophobicContact CD2-CB 4.19Å; L297-V310 HydrophobicContact CD2-CG1 4.04Å; L297-V310 HydrophobicContact CG-CG1 4.21Å; T306-V310 VanDerWaalsContact O-CG2 3.24Å; T306-V310 WeakPolarHBondContact O-CG2 2.97Å; T306-V310 PolarHBondContact O-N 2.99Å; A307-V310 PolarHBondContact O-N 2.91Å; V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 PolarHBondContact O-N 3.22Å; V310-K313 CarbonylContact O-C 3.42Å; V310-K313 WeakPolarHBondContact O-CA 3.48Å; V310-K313 WeakPolarHBondContact O-CB 3.48Å; V310-K313 PolarHBondContact O-N 3.04Å; V310-L314 PolarHBondContact O-N 2.95Å |
| 311 | I | 89 | Confident | 87.9 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.1 | -45.2 | 175.4 | -73.4 | 170.2 | 0 | 0 | 0 | 110.9 | L297 A307 K313 L314 D345 I346 | L297-I311 HydrophobicContact CD1-CG1 4.26Å; A307-I311 WeakPolarHBondContact O-CB 3.46Å; A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 3.12Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 3.09Å; I311-L314 PolarHBondContact O-N 3.11Å; I311-D345 WeakPolarHBondContact CG2-OD2 3.47Å; I311-I346 HydrophobicContact CG2-CG1 3.74Å |
| 312 | R | 88.1 | Confident | 88.4 | Confident | 177 Ų | 177 | 51 Ų | 51 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.7 | -36.3 | 177.2 | -165.4 | -173.2 | -47.5 | -105.5 | -1.9 | 112.6 | S308 T309 V310 L314 A315 | S308-R312 PolarHBondContact O-N 3.02Å; T309-R312 PolarHBondContact O-N 3.46Å; V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 PolarHBondContact O-N 3.22Å; R312-L314 VanDerWaalsContact C-N 3.28Å; R312-L314 PolarHBondContact O-N 2.68Å; R312-A315 PolarHBondContact O-N 2.88Å |
| 313 | K | 88.9 | Confident | 89.1 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70 | -21.4 | 177 | -74.8 | 176.1 | 177.2 | 179.1 | 0 | 113.3 | T309 V310 I311 A315 P317 | T309-K313 HydrophobicContact CG2-CD 4.26Å; T309-K313 WeakPolarHBondContact O-CG 3.42Å; T309-K313 PolarHBondContact O-N 2.66Å; V310-K313 CarbonylContact O-C 3.42Å; V310-K313 WeakPolarHBondContact O-CA 3.48Å; V310-K313 WeakPolarHBondContact O-CB 3.48Å; V310-K313 PolarHBondContact O-N 3.04Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 3.09Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-P317 WeakPolarHBondContact O-CD 3.37Å |
| 314 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.2 | -22.3 | 177 | -72.4 | 174 | 0 | 0 | 0 | 113.3 | L278 V290 I293 M294 L297 V310 I311 R312 P317 L318 I346 | L278-L314 HydrophobicContact CD1-CD2 4.11Å; L278-L314 HydrophobicContact CD2-CD2 4.03Å; V290-L314 HydrophobicContact CG2-CD2 4.14Å; I293-L314 HydrophobicContact CB-CD2 4.37Å; I293-L314 HydrophobicContact CD1-CD2 4.06Å; I293-L314 HydrophobicContact CG2-CD1 4Å; I293-L314 HydrophobicContact CG2-CD2 4.04Å; I293-L314 HydrophobicContact CG2-CG 4.33Å; M294-L314 HydrophobicContact SD-CD1 4.13Å; L297-L314 HydrophobicContact CD1-CD1 4.22Å; V310-L314 PolarHBondContact O-N 2.95Å; I311-L314 PolarHBondContact O-N 3.11Å; R312-L314 VanDerWaalsContact C-N 3.28Å; R312-L314 PolarHBondContact O-N 2.68Å; L314-P317 WeakPolarHBondContact O-CD 3.36Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.04Å; L314-I346 HydrophobicContact CB-CG2 3.95Å; L314-I346 HydrophobicContact CD1-CD1 4.14Å |
| 315 | A | 92.6 | Very high | 90.2 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -51.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | R312 K313 L318 V319 I346 L347 | R312-A315 PolarHBondContact O-N 2.88Å; K313-A315 VanDerWaalsContact C-N 3.34Å; A315-L318 PolarHBondContact O-N 2.93Å; A315-V319 WeakPolarHBondContact O-CG2 3.4Å; A315-V319 PolarHBondContact O-N 3.43Å; A315-V319 VanDerWaalsContact O-N 3.09Å; A315-I346 HydrophobicContact CB-CG2 4.24Å; A315-I346 WeakPolarHBondContact CB-O 3.42Å; A315-L347 HydrophobicContact CB-CD2 4.26Å |
| 316 | P | 93.3 | Very high | 90.6 | Very high | 78 Ų | 78 | 49 Ų | 49 | 51% | 0.506 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | -177.9 | -19.2 | 31 | 0 | 0 | 0 | 114.2 | L318 V319 T320 | P316-L318 VanDerWaalsContact C-N 3.34Å; P316-L318 PolarHBondContact O-N 2.91Å; P316-V319 WeakPolarHBondContact O-CB 3.45Å; P316-V319 PolarHBondContact O-N 3.44Å; P316-V319 VanDerWaalsContact O-N 3.15Å; P316-T320 WeakPolarHBondContact O-CG2 3.4Å; P316-T320 PolarHBondContact O-N 2.77Å |
| 317 | P | 94.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -40.6 | 174.9 | -26.2 | 34.2 | 0 | 0 | 0 | 114 | L278 V286 K313 L314 V319 T320 L321 | L278-P317 HydrophobicContact CB-CB 4.18Å; L278-P317 HydrophobicContact CB-CG 3.65Å; L278-P317 HydrophobicContact CD1-CG 4.3Å; L278-P317 HydrophobicContact CD2-CB 4.3Å; L278-P317 HydrophobicContact CD2-CG 4.28Å; L278-P317 HydrophobicContact CG-CG 4.31Å; L278-P317 WeakPolarHBondContact O-CB 3.47Å; V286-P317 HydrophobicContact CG1-CB 4.01Å; K313-P317 WeakPolarHBondContact O-CD 3.37Å; L314-P317 WeakPolarHBondContact O-CD 3.36Å; P317-V319 VanDerWaalsContact C-N 3.3Å; P317-V319 PolarHBondContact O-N 3.3Å; P317-T320 WeakPolarHBondContact CA-OG1 3.29Å; P317-T320 PolarHBondContact O-N 2.86Å; P317-T320 PolarHBondContact O-OG1 3Å; P317-L321 WeakPolarHBondContact O-CG 3.15Å; P317-L321 PolarHBondContact O-N 3.19Å |
| 318 | L | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 177.4 | -65.8 | 175.7 | 0 | 0 | 0 | 111.5 | V290 L314 A315 P316 L321 I336 I339 I346 L347 | V290-L318 HydrophobicContact CG1-CD2 4.43Å; V290-L318 HydrophobicContact CG2-CD2 4.17Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.04Å; A315-L318 PolarHBondContact O-N 2.93Å; P316-L318 VanDerWaalsContact C-N 3.34Å; P316-L318 PolarHBondContact O-N 2.91Å; L318-L321 HydrophobicContact CD2-CD1 4.3Å; L318-I336 HydrophobicContact CB-CD1 4.23Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CD2-CG1 4Å; L318-I339 HydrophobicContact CD1-CD1 4.44Å; L318-I339 HydrophobicContact CD1-CG2 4.17Å; L318-I339 HydrophobicContact CD2-CD1 3.94Å; L318-I346 HydrophobicContact CD1-CG2 3.91Å; L318-L347 HydrophobicContact CB-CD2 4.46Å; L318-L347 HydrophobicContact CD1-CD1 4.32Å |
| 319 | V | 93.3 | Very high | 92.1 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 174.7 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | A315 P316 P317 L321 L322 L347 E350 V353 | A315-V319 WeakPolarHBondContact O-CG2 3.4Å; A315-V319 PolarHBondContact O-N 3.43Å; A315-V319 VanDerWaalsContact O-N 3.09Å; P316-V319 WeakPolarHBondContact O-CB 3.45Å; P316-V319 PolarHBondContact O-N 3.44Å; P316-V319 VanDerWaalsContact O-N 3.15Å; P317-V319 VanDerWaalsContact C-N 3.3Å; P317-V319 PolarHBondContact O-N 3.3Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.04Å; V319-L322 WeakPolarHBondContact O-CB 3.39Å; V319-L322 PolarHBondContact O-N 2.82Å; V319-L322 VanDerWaalsContact O-N 3.1Å; V319-L347 HydrophobicContact CG2-CD2 4.08Å; V319-E350 HydrophobicContact CG2-CB 4.05Å; V319-E350 HydrophobicContact CG2-CG 4.07Å; V319-V353 HydrophobicContact CB-CG1 4.39Å; V319-V353 HydrophobicContact CG1-CB 4.46Å; V319-V353 HydrophobicContact CG1-CG1 3.82Å; V319-V353 HydrophobicContact CG1-CG2 3.81Å; V319-V353 HydrophobicContact CG2-CB 4.46Å; V319-V353 HydrophobicContact CG2-CG1 4.28Å; V319-V353 HydrophobicContact CG2-CG2 4.01Å |
| 320 | T | 92.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.9 | -31.9 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | P316 P317 L322 S323 | P316-T320 WeakPolarHBondContact O-CG2 3.4Å; P316-T320 PolarHBondContact O-N 2.77Å; P317-T320 WeakPolarHBondContact CA-OG1 3.29Å; P317-T320 PolarHBondContact O-N 2.86Å; P317-T320 PolarHBondContact O-OG1 3Å; T320-L322 PolarHBondContact O-N 3.14Å; T320-S323 WeakPolarHBondContact O-CB 3.49Å; T320-S323 PolarHBondContact O-N 3.49Å |
| 321 | L | 93.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -28.3 | 173.4 | -68 | 176.5 | 0 | 0 | 0 | 113.1 | A283 V286 L287 P317 L318 V319 S323 A324 A332 | A283-L321 HydrophobicContact CB-CD2 3.49Å; A283-L321 VanDerWaalsContact CB-CD2 3.49Å; V286-L321 HydrophobicContact CB-CD2 4.19Å; V286-L321 HydrophobicContact CG1-CD1 4.18Å; V286-L321 HydrophobicContact CG1-CD2 4.21Å; V286-L321 HydrophobicContact CG1-CG 4.27Å; L287-L321 HydrophobicContact CD2-CD1 3.62Å; L287-L321 HydrophobicContact CG-CD1 3.92Å; P317-L321 WeakPolarHBondContact O-CG 3.15Å; P317-L321 PolarHBondContact O-N 3.19Å; L318-L321 HydrophobicContact CD2-CD1 4.3Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.04Å; L321-S323 PolarHBondContact O-N 3.2Å; L321-A324 WeakPolarHBondContact O-CB 3.24Å; L321-A324 PolarHBondContact O-N 3.03Å; L321-A332 HydrophobicContact CB-CB 3.68Å; L321-A332 HydrophobicContact CD1-CB 4.21Å; L321-A332 HydrophobicContact CG-CB 4.5Å |
| 322 | L | 92.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4.8 | 178.6 | -56.2 | -177.9 | 0 | 0 | 0 | 113.4 | V319 T320 Q329 A332 L333 I336 V353 F354 | V319-L322 WeakPolarHBondContact O-CB 3.39Å; V319-L322 PolarHBondContact O-N 2.82Å; V319-L322 VanDerWaalsContact O-N 3.1Å; T320-L322 PolarHBondContact O-N 3.14Å; L322-Q329 WeakPolarHBondContact O-CG 3.25Å; L322-Q329 PolarHBondContact O-OE1 3.07Å; L322-A332 HydrophobicContact CD2-CB 4.31Å; L322-L333 HydrophobicContact CD1-CD2 4.18Å; L322-L333 HydrophobicContact CD2-CD1 4.42Å; L322-L333 HydrophobicContact CD2-CD2 3.44Å; L322-L333 VanDerWaalsContact CD2-CD2 3.44Å; L322-L333 HydrophobicContact CD2-CG 3.53Å; L322-L333 HydrophobicContact CG-CD2 4.47Å; L322-I336 HydrophobicContact CD1-CD1 4.29Å; L322-I336 HydrophobicContact CD2-CD1 3.82Å; L322-I336 HydrophobicContact CG-CD1 4.12Å; L322-V353 HydrophobicContact CB-CG1 4.29Å; L322-V353 HydrophobicContact CD1-CG1 3.65Å; L322-F354 HydrophobicContact CD1-CD1 4.03Å; L322-F354 HydrophobicContact CD1-CE1 3.53Å; L322-F354 HydrophobicContact CD1-CZ 3.98Å |
| 323 | S | 90.2 | Very high | 93.6 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 69% | 0.685 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.1 | 174.4 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | T320 L321 | T320-S323 WeakPolarHBondContact O-CB 3.49Å; T320-S323 PolarHBondContact O-N 3.49Å; L321-S323 PolarHBondContact O-N 3.2Å |
| 324 | A | 91.4 | Very high | 94 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 28% | 0.281 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -77.1 | -174.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L321 I328 Q329 | L321-A324 WeakPolarHBondContact O-CB 3.24Å; L321-A324 PolarHBondContact O-N 3.03Å; A324-I328 HydrophobicContact CB-CB 3.72Å; A324-I328 HydrophobicContact CB-CD1 4.31Å; A324-I328 HydrophobicContact CB-CG2 3.55Å; A324-Q329 WeakPolarHBondContact O-CG 3.47Å; A324-Q329 PolarHBondContact O-NE2 2.67Å |
| 325 | E | 93.2 | Very high | 94.1 | Very high | 127 Ų | 127 | 40.7 Ų | 40.7 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | trans | -64.3 | 154.5 | 172.8 | -64.8 | -169.3 | 165.6 | 0 | 0 | 111.7 | E327 I328 Q329 | E325-E327 VanDerWaalsContact C-N 3.29Å; E325-E327 PolarHBondContact O-N 3.37Å; E325-E327 VanDerWaalsContact O-N 3.16Å; E325-I328 CarbonylContact O-C 3.59Å; E325-I328 WeakPolarHBondContact O-CA 3.39Å; E325-I328 WeakPolarHBondContact O-CB 3.28Å; E325-I328 PolarHBondContact O-N 2.99Å; E325-Q329 WeakPolarHBondContact O-CG 3.43Å; E325-Q329 PolarHBondContact O-N 3.09Å | ||
| 326 | P | 93.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.2 | -35.2 | -170.2 | -26.4 | 35.6 | 0 | 0 | 0 | 115.3 | Q329 Y330 P361 Y363 V364 | P326-Q329 PolarHBondContact O-N 3.47Å; P326-Y330 WeakPolarHBondContact O-CB 3.3Å; P326-Y330 PolarHBondContact O-N 3.06Å; P326-P361 HydrophobicContact CB-CG 3.68Å; P326-P361 HydrophobicContact CG-CG 4.39Å; P326-Y363 WeakPolarHBondContact CB-OH 3.33Å; P326-V364 HydrophobicContact CB-CG2 4.35Å |
| 327 | E | 94.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 36.7 Ų | 36.7 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.5 | -64.2 | 75.5 | -169.4 | 0 | 0 | 111.1 | E325 Y330 V331 M840 | E325-E327 VanDerWaalsContact C-N 3.29Å; E325-E327 PolarHBondContact O-N 3.37Å; E325-E327 VanDerWaalsContact O-N 3.16Å; E327-Y330 PolarHBondContact O-N 3.06Å; E327-V331 WeakPolarHBondContact O-CG2 3.4Å; E327-V331 PolarHBondContact O-N 3.4Å; E327-V331 VanDerWaalsContact O-N 3.14Å; E327-M840 WeakPolarHBondContact OE1-CE 3.25Å |
| 328 | I | 94.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 36.1 Ų | 36.1 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.4 | -41.3 | 176.6 | -57.4 | 175.3 | 0 | 0 | 0 | 109.9 | A283 A324 E325 Y330 V331 A332 | A283-I328 HydrophobicContact CB-CG2 3.83Å; A324-I328 HydrophobicContact CB-CB 3.72Å; A324-I328 HydrophobicContact CB-CD1 4.31Å; A324-I328 HydrophobicContact CB-CG2 3.55Å; E325-I328 CarbonylContact O-C 3.59Å; E325-I328 WeakPolarHBondContact O-CA 3.39Å; E325-I328 WeakPolarHBondContact O-CB 3.28Å; E325-I328 PolarHBondContact O-N 2.99Å; I328-Y330 VanDerWaalsContact C-N 3.3Å; I328-Y330 PolarHBondContact O-N 3.31Å; I328-V331 PolarHBondContact O-N 3.47Å; I328-A332 WeakPolarHBondContact O-CB 3.29Å; I328-A332 PolarHBondContact O-N 3.42Å |
| 329 | Q | 94.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 174.1 | -69 | -175.8 | 40.4 | 0 | 0 | 110.8 | L322 A324 E325 P326 A332 L333 V364 | L322-Q329 WeakPolarHBondContact O-CG 3.25Å; L322-Q329 PolarHBondContact O-OE1 3.07Å; A324-Q329 WeakPolarHBondContact O-CG 3.47Å; A324-Q329 PolarHBondContact O-NE2 2.67Å; E325-Q329 WeakPolarHBondContact O-CG 3.43Å; E325-Q329 PolarHBondContact O-N 3.09Å; P326-Q329 PolarHBondContact O-N 3.47Å; Q329-A332 PolarHBondContact O-N 2.67Å; Q329-L333 WeakPolarHBondContact O-CB 3.34Å; Q329-L333 WeakPolarHBondContact O-CD1 3.43Å; Q329-L333 WeakPolarHBondContact O-CG 3.44Å; Q329-L333 PolarHBondContact O-N 3.49Å; Q329-V364 HydrophobicContact CB-CG2 4.42Å |
| 330 | Y | 96.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 179 | 179.5 | -107.8 | 0 | 0 | 0 | 112.2 | P326 E327 I328 A332 L333 R334 Y363 V603 | P326-Y330 WeakPolarHBondContact O-CB 3.3Å; P326-Y330 PolarHBondContact O-N 3.06Å; E327-Y330 PolarHBondContact O-N 3.06Å; I328-Y330 VanDerWaalsContact C-N 3.3Å; I328-Y330 PolarHBondContact O-N 3.31Å; Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 3.44Å; Y330-L333 PolarHBondContact O-N 2.97Å; Y330-R334 HydrophobicContact CD1-CG 4.47Å; Y330-R334 HydrophobicContact CE1-CG 4.11Å; Y330-R334 HydrophobicContact CE2-CG 4.16Å; Y330-R334 WeakPolarHBondContact O-CB 3.46Å; Y330-R334 WeakPolarHBondContact O-CG 3.15Å; Y330-R334 PolarHBondContact O-N 3.44Å; Y330-R334 PolarHBondContact OH-NE 2.88Å; Y330-R334 PolarHBondContact OH-NH2 3.24Å; Y330-Y363 AromaticContact CD2-CD2 3.61Å; Y330-Y363 HydrophobicContact CD2-CD2 3.61Å; Y330-Y363 HydrophobicContact CD2-CE2 4.43Å; Y330-Y363 HydrophobicContact CD2-CG 4.48Å; Y330-Y363 HydrophobicContact CE2-CD2 4.3Å; Y330-Y363 AromaticContact CG-CD2 3.71Å; Y330-Y363 HydrophobicContact CG-CD2 3.71Å; Y330-Y363 HydrophobicContact CG-CE2 4.14Å; Y330-V603 HydrophobicContact CE1-CG1 4.26Å |
| 331 | V | 95.9 | Very high | 94 | Very high | 51 Ų | 51 | 31.5 Ų | 31.5 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | L287 E327 I328 N335 V603 | L287-V331 HydrophobicContact CD1-CG1 4.41Å; E327-V331 WeakPolarHBondContact O-CG2 3.4Å; E327-V331 PolarHBondContact O-N 3.4Å; E327-V331 VanDerWaalsContact O-N 3.14Å; I328-V331 PolarHBondContact O-N 3.47Å; V331-N335 PolarHBondContact O-N 3.41Å; V331-N335 PolarHBondContact O-ND2 3.04Å; V331-V603 HydrophobicContact CB-CG2 4.42Å; V331-V603 HydrophobicContact CG1-CG2 3.89Å; V331-V603 HydrophobicContact CG2-CG2 4.24Å |
| 332 | A | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L321 L322 I328 Q329 Y330 R334 N335 I336 | L321-A332 HydrophobicContact CB-CB 3.68Å; L321-A332 HydrophobicContact CD1-CB 4.21Å; L321-A332 HydrophobicContact CG-CB 4.5Å; L322-A332 HydrophobicContact CD2-CB 4.31Å; I328-A332 WeakPolarHBondContact O-CB 3.29Å; I328-A332 PolarHBondContact O-N 3.42Å; Q329-A332 PolarHBondContact O-N 2.67Å; Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 3.44Å; A332-R334 PolarHBondContact O-N 3.1Å; A332-N335 PolarHBondContact O-N 3.49Å; A332-I336 WeakPolarHBondContact O-CB 3.49Å; A332-I336 WeakPolarHBondContact O-CD1 3.44Å; A332-I336 WeakPolarHBondContact O-CG1 3.47Å; A332-I336 PolarHBondContact O-N 2.86Å |
| 333 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 179.1 | -72.2 | 163.2 | 0 | 0 | 0 | 111.2 | L322 Q329 Y330 N335 I336 N337 F354 V364 E367 K368 I371 | L322-L333 HydrophobicContact CD1-CD2 4.18Å; L322-L333 HydrophobicContact CD2-CD1 4.42Å; L322-L333 HydrophobicContact CD2-CD2 3.44Å; L322-L333 VanDerWaalsContact CD2-CD2 3.44Å; L322-L333 HydrophobicContact CD2-CG 3.53Å; L322-L333 HydrophobicContact CG-CD2 4.47Å; Q329-L333 WeakPolarHBondContact O-CB 3.34Å; Q329-L333 WeakPolarHBondContact O-CD1 3.43Å; Q329-L333 WeakPolarHBondContact O-CG 3.44Å; Q329-L333 PolarHBondContact O-N 3.49Å; Y330-L333 PolarHBondContact O-N 2.97Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 3.24Å; L333-I336 CarbonylContact O-C 3.55Å; L333-I336 PolarHBondContact O-N 3.43Å; L333-I336 VanDerWaalsContact O-N 3.16Å; L333-N337 WeakPolarHBondContact O-CB 3.28Å; L333-N337 PolarHBondContact O-N 3.18Å; L333-F354 HydrophobicContact CD2-CD1 3.99Å; L333-F354 HydrophobicContact CD2-CE1 3.98Å; L333-V364 HydrophobicContact CD1-CG1 3.82Å; L333-E367 HydrophobicContact CB-CB 4.14Å; L333-E367 HydrophobicContact CB-CG 3.5Å; L333-E367 HydrophobicContact CD1-CB 4.29Å; L333-K368 HydrophobicContact CD1-CG 3.96Å; L333-K368 HydrophobicContact CD2-CG 3.98Å; L333-I371 HydrophobicContact CB-CD1 4.02Å; L333-I371 HydrophobicContact CD2-CD1 3.6Å; L333-I371 HydrophobicContact CG-CD1 4.44Å; L333-I371 WeakPolarHBondContact O-CD1 3.49Å |
| 334 | R | 96.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 175.4 | -75.4 | -69.6 | -146.3 | 146.2 | 9.4 | 112.8 | Y330 A332 E367 V603 H605 | Y330-R334 HydrophobicContact CD1-CG 4.47Å; Y330-R334 HydrophobicContact CE1-CG 4.11Å; Y330-R334 HydrophobicContact CE2-CG 4.16Å; Y330-R334 WeakPolarHBondContact O-CB 3.46Å; Y330-R334 WeakPolarHBondContact O-CG 3.15Å; Y330-R334 PolarHBondContact O-N 3.44Å; Y330-R334 PolarHBondContact OH-NE 2.88Å; Y330-R334 PolarHBondContact OH-NH2 3.24Å; A332-R334 PolarHBondContact O-N 3.1Å; R334-E367 IonicContact NE-OE2 2.66Å; R334-V603 VanDerWaalsContact CD-O 3.3Å; R334-V603 WeakPolarHBondContact CD-O 3.34Å; R334-V603 HydrophobicContact CG-CG1 4.36Å; R334-V603 PolarHBondContact NE-O 3.26Å; R334-V603 PolarHBondContact NH1-O 2.98Å; R334-V603 PolarHBondContact NH2-O 3.23Å; R334-H605 PolarHBondContact NH1-CE1 2.85Å; R334-H605 PolarHBondContact NH1-ND1 3.02Å; R334-H605 PolarHBondContact O-NE2 2.85Å |
| 335 | N | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.3 | -40.8 | 175.9 | -77 | -90 | 0 | 0 | 0 | 111.6 | L287 V331 A332 L333 N337 L338 I339 L597 A598 S602 | L287-N335 HydrophobicContact CD2-CB 4.01Å; V331-N335 PolarHBondContact O-N 3.41Å; V331-N335 PolarHBondContact O-ND2 3.04Å; A332-N335 PolarHBondContact O-N 3.49Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 3.24Å; N335-N337 VanDerWaalsContact C-N 3.27Å; N335-N337 PolarHBondContact O-N 3.46Å; N335-L338 PolarHBondContact O-N 3.15Å; N335-I339 WeakPolarHBondContact O-CD1 3.29Å; N335-I339 WeakPolarHBondContact O-CG1 3.41Å; N335-I339 PolarHBondContact O-N 3.36Å; N335-L597 HydrophobicContact CB-CD2 4.05Å; N335-L597 WeakPolarHBondContact OD1-CA 3.33Å; N335-L597 VanDerWaalsContact OD1-CD2 3.25Å; N335-L597 WeakPolarHBondContact OD1-CD2 3.33Å; N335-A598 PolarHBondContact OD1-N 2.91Å; N335-S602 WeakPolarHBondContact OD1-CB 3.34Å; N335-S602 PolarHBondContact OD1-OG 3.47Å |
| 336 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 174.9 | -73.1 | 163 | 0 | 0 | 0 | 110.8 | L318 L322 A332 L333 L338 I339 V340 L347 F354 I371 | L318-I336 HydrophobicContact CB-CD1 4.23Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CD2-CG1 4Å; L322-I336 HydrophobicContact CD1-CD1 4.29Å; L322-I336 HydrophobicContact CD2-CD1 3.82Å; L322-I336 HydrophobicContact CG-CD1 4.12Å; A332-I336 WeakPolarHBondContact O-CB 3.49Å; A332-I336 WeakPolarHBondContact O-CD1 3.44Å; A332-I336 WeakPolarHBondContact O-CG1 3.47Å; A332-I336 PolarHBondContact O-N 2.86Å; L333-I336 CarbonylContact O-C 3.55Å; L333-I336 PolarHBondContact O-N 3.43Å; L333-I336 VanDerWaalsContact O-N 3.16Å; I336-L338 VanDerWaalsContact C-N 3.33Å; I336-L338 PolarHBondContact O-N 3.45Å; I336-I339 PolarHBondContact O-N 3.44Å; I336-V340 HydrophobicContact CG2-CG2 3.93Å; I336-V340 WeakPolarHBondContact O-CB 3.43Å; I336-V340 VanDerWaalsContact O-CG2 3.3Å; I336-V340 WeakPolarHBondContact O-CG2 3.39Å; I336-V340 PolarHBondContact O-N 3.4Å; I336-L347 HydrophobicContact CG2-CD1 3.52Å; I336-F354 HydrophobicContact CG2-CE1 4.13Å; I336-F354 HydrophobicContact CG2-CZ 4.13Å; I336-I371 HydrophobicContact CB-CD1 4.39Å; I336-I371 HydrophobicContact CG2-CD1 4.08Å |
| 337 | N | 92.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 177.1 | -170.8 | -23.7 | 0 | 0 | 0 | 111 | L333 N335 V340 Q341 E367 I371 R374 | L333-N337 WeakPolarHBondContact O-CB 3.28Å; L333-N337 PolarHBondContact O-N 3.18Å; N335-N337 VanDerWaalsContact C-N 3.27Å; N335-N337 PolarHBondContact O-N 3.46Å; N337-V340 PolarHBondContact O-N 3.29Å; N337-Q341 WeakPolarHBondContact O-CG 3.48Å; N337-Q341 PolarHBondContact O-N 3.35Å; N337-Q341 PolarHBondContact OD1-NE2 3.18Å; N337-E367 PolarHBondContact ND2-OE1 2.81Å; N337-I371 HydrophobicContact CB-CD1 4.33Å; N337-I371 HydrophobicContact CB-CG1 4.08Å; N337-R374 PolarHBondContact OD1-NE 2.92Å |
| 338 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.8 | -62.4 | 173.6 | 0 | 0 | 0 | 112.2 | N335 I336 V340 Q341 K342 L585 L590 L593 L597 | N335-L338 PolarHBondContact O-N 3.15Å; I336-L338 VanDerWaalsContact C-N 3.33Å; I336-L338 PolarHBondContact O-N 3.45Å; L338-V340 VanDerWaalsContact C-N 3.35Å; L338-V340 PolarHBondContact O-N 3.15Å; L338-Q341 PolarHBondContact O-N 3.41Å; L338-K342 PolarHBondContact O-N 3.05Å; L338-L585 HydrophobicContact CD2-CD1 3.38Å; L338-L590 HydrophobicContact CB-CD1 4.25Å; L338-L590 HydrophobicContact CD2-CD1 3.94Å; L338-L593 HydrophobicContact CD1-CB 3.95Å; L338-L593 HydrophobicContact CD2-CB 4.28Å; L338-L593 HydrophobicContact CD2-CD1 3.94Å; L338-L597 HydrophobicContact CB-CD2 4.38Å; L338-L597 HydrophobicContact CD1-CD2 4.11Å |
| 339 | I | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | -179.6 | -67.4 | 161.1 | 0 | 0 | 0 | 110.8 | V290 M294 L318 N335 I336 Q341 K342 R343 I346 L597 | V290-I339 HydrophobicContact CG1-CD1 3.65Å; V290-I339 HydrophobicContact CG1-CG1 4.46Å; M294-I339 HydrophobicContact CE-CG2 4.12Å; M294-I339 HydrophobicContact SD-CG2 4.19Å; L318-I339 HydrophobicContact CD1-CD1 4.44Å; L318-I339 HydrophobicContact CD1-CG2 4.17Å; L318-I339 HydrophobicContact CD2-CD1 3.94Å; N335-I339 WeakPolarHBondContact O-CD1 3.29Å; N335-I339 WeakPolarHBondContact O-CG1 3.41Å; N335-I339 PolarHBondContact O-N 3.36Å; I336-I339 PolarHBondContact O-N 3.44Å; I339-Q341 VanDerWaalsContact C-N 3.34Å; I339-Q341 PolarHBondContact O-N 2.96Å; I339-K342 PolarHBondContact O-N 3.41Å; I339-R343 PolarHBondContact O-N 3.3Å; I339-I346 HydrophobicContact CG2-CD1 3.55Å; I339-L597 HydrophobicContact CD1-CD1 4.14Å; I339-L597 HydrophobicContact CG1-CD1 3.94Å; I339-L597 HydrophobicContact CG1-CD2 4.31Å |
| 340 | V | 91.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -36 | 179 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | I336 N337 L338 K342 R343 R344 L347 R374 L375 | I336-V340 HydrophobicContact CG2-CG2 3.93Å; I336-V340 WeakPolarHBondContact O-CB 3.43Å; I336-V340 VanDerWaalsContact O-CG2 3.3Å; I336-V340 WeakPolarHBondContact O-CG2 3.39Å; I336-V340 PolarHBondContact O-N 3.4Å; N337-V340 PolarHBondContact O-N 3.29Å; L338-V340 VanDerWaalsContact C-N 3.35Å; L338-V340 PolarHBondContact O-N 3.15Å; V340-K342 VanDerWaalsContact C-N 3.29Å; V340-K342 PolarHBondContact O-N 3.23Å; V340-R343 CarbonylContact O-C 3.36Å; V340-R344 WeakPolarHBondContact O-CA 3.48Å; V340-R344 WeakPolarHBondContact O-CG 3.5Å; V340-R344 PolarHBondContact O-N 3.1Å; V340-L347 HydrophobicContact CG2-CB 4.45Å; V340-L347 HydrophobicContact CG2-CD1 3.65Å; V340-R374 HydrophobicContact CG1-CB 4.39Å; V340-L375 HydrophobicContact CB-CD2 4.47Å; V340-L375 HydrophobicContact CG1-CD2 3.46Å; V340-L375 VanDerWaalsContact CG1-CD2 3.46Å; V340-L375 HydrophobicContact CG1-CG 4.03Å; V340-L375 HydrophobicContact CG2-CD2 4.11Å |
| 341 | Q | 89.8 | Confident | 90.8 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 175 | -75.1 | -175.4 | 60 | 0 | 0 | 112 | N337 L338 I339 M584 L585 L590 | N337-Q341 WeakPolarHBondContact O-CG 3.48Å; N337-Q341 PolarHBondContact O-N 3.35Å; N337-Q341 PolarHBondContact OD1-NE2 3.18Å; L338-Q341 PolarHBondContact O-N 3.41Å; I339-Q341 VanDerWaalsContact C-N 3.34Å; I339-Q341 PolarHBondContact O-N 2.96Å; Q341-M584 HydrophobicContact CB-CE 4.03Å; Q341-M584 HydrophobicContact CG-CE 3.85Å; Q341-M584 HydrophobicContact CG-SD 4.36Å; Q341-L585 VanDerWaalsContact OE1-N 3.16Å; Q341-L590 HydrophobicContact CB-CD1 4.1Å; Q341-L590 HydrophobicContact CB-CD2 3.85Å |
| 342 | K | 89.6 | Confident | 90.6 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 23% | 0.226 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -78.8 | -42.5 | 176.5 | -171.9 | 73.3 | 174 | -174.4 | 0 | 113.4 | M294 E298 L338 I339 V340 L590 D591 I594 | M294-K342 HydrophobicContact CE-CB 4.32Å; M294-K342 HydrophobicContact CE-CG 4.29Å; E298-K342 WeakPolarHBondContact OE1-CE 3.16Å; E298-K342 IonicContact OE2-NZ 2.87Å; L338-K342 PolarHBondContact O-N 3.05Å; I339-K342 PolarHBondContact O-N 3.41Å; V340-K342 VanDerWaalsContact C-N 3.29Å; V340-K342 PolarHBondContact O-N 3.23Å; K342-L590 HydrophobicContact CB-CD2 4.35Å; K342-D591 IonicContact NZ-OD1 2.91Å; K342-D591 PolarHBondContact NZ-OD1 3.25Å; K342-D591 IonicContact NZ-OD2 2.75Å; K342-D591 PolarHBondContact NZ-OD2 2.96Å; K342-I594 HydrophobicContact CB-CD1 3.54Å; K342-I594 HydrophobicContact CD-CD1 3.8Å; K342-I594 HydrophobicContact CG-CD1 3.61Å |
| 343 | R | 88.4 | Confident | 90.3 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | trans | -137.4 | 79.2 | -172.2 | -63.7 | -70.7 | -178.2 | 157.7 | 1.3 | 110.6 | M294 E298 I339 V340 D345 I346 | M294-R343 HydrophobicContact CE-CG 4.06Å; E298-R343 IonicContact OE1-CZ 3.92Å; E298-R343 IonicContact OE1-NE 3.87Å; E298-R343 IonicContact OE1-NH2 2.99Å; E298-R343 PolarHBondContact OE1-NH2 2.81Å; E298-R343 IonicContact OE2-NH2 3.75Å; I339-R343 PolarHBondContact O-N 3.3Å; V340-R343 CarbonylContact O-C 3.36Å; R343-D345 PolarHBondContact O-N 2.93Å; R343-D345 VanDerWaalsContact O-N 3.15Å; R343-I346 HydrophobicContact CB-CD1 3.53Å; R343-I346 HydrophobicContact CB-CG1 3.89Å; R343-I346 HydrophobicContact CG-CD1 4.34Å; R343-I346 PolarHBondContact O-N 3.39Å | ||
| 344 | R | 83.1 | Confident | 90.2 | Very high | 132 Ų | 132 | 42.3 Ų | 42.3 | 50% | 0.498 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.1 | -177.7 | -59.2 | -173.2 | -145.9 | -167.5 | 8 | 113.6 | V340 I346 | V340-R344 WeakPolarHBondContact O-CA 3.48Å; V340-R344 WeakPolarHBondContact O-CG 3.5Å; V340-R344 PolarHBondContact O-N 3.1Å; R344-I346 VanDerWaalsContact C-N 3.31Å; R344-I346 PolarHBondContact O-N 3.09Å |
| 345 | D | 84.2 | Confident | 90.2 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.4 | -176.5 | 58 | -32.2 | 0 | 0 | 0 | 114.2 | I311 R343 L347 K348 | I311-D345 WeakPolarHBondContact CG2-OD2 3.47Å; R343-D345 PolarHBondContact O-N 2.93Å; R343-D345 VanDerWaalsContact O-N 3.15Å; D345-L347 PolarHBondContact O-N 3.14Å; D345-K348 WeakPolarHBondContact O-CG 3.25Å |
| 346 | I | 89 | Confident | 90.1 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -48 | 178.5 | -62.1 | 170.4 | 0 | 0 | 0 | 110.9 | M294 I311 L314 A315 L318 I339 R343 R344 | M294-I346 HydrophobicContact SD-CD1 4.19Å; I311-I346 HydrophobicContact CG2-CG1 3.74Å; L314-I346 HydrophobicContact CB-CG2 3.95Å; L314-I346 HydrophobicContact CD1-CD1 4.14Å; A315-I346 HydrophobicContact CB-CG2 4.24Å; A315-I346 WeakPolarHBondContact CB-O 3.42Å; L318-I346 HydrophobicContact CD1-CG2 3.91Å; I339-I346 HydrophobicContact CG2-CD1 3.55Å; R343-I346 HydrophobicContact CB-CD1 3.53Å; R343-I346 HydrophobicContact CB-CG1 3.89Å; R343-I346 HydrophobicContact CG-CD1 4.34Å; R343-I346 PolarHBondContact O-N 3.39Å; R344-I346 VanDerWaalsContact C-N 3.31Å; R344-I346 PolarHBondContact O-N 3.09Å |
| 347 | L | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 16.2 | -171.4 | -69.9 | 166.9 | 0 | 0 | 0 | 114 | A315 L318 V319 I336 V340 D345 Q349 E350 F354 L375 | A315-L347 HydrophobicContact CB-CD2 4.26Å; L318-L347 HydrophobicContact CB-CD2 4.46Å; L318-L347 HydrophobicContact CD1-CD1 4.32Å; V319-L347 HydrophobicContact CG2-CD2 4.08Å; I336-L347 HydrophobicContact CG2-CD1 3.52Å; V340-L347 HydrophobicContact CG2-CB 4.45Å; V340-L347 HydrophobicContact CG2-CD1 3.65Å; D345-L347 PolarHBondContact O-N 3.14Å; L347-Q349 PolarHBondContact O-N 3.2Å; L347-Q349 VanDerWaalsContact O-N 3.09Å; L347-E350 HydrophobicContact CD2-CB 4.12Å; L347-E350 HydrophobicContact CD2-CG 4.38Å; L347-E350 PolarHBondContact O-N 3.18Å; L347-E350 VanDerWaalsContact O-N 3.1Å; L347-F354 HydrophobicContact CB-CE2 4.47Å; L347-F354 HydrophobicContact CD1-CE2 4.25Å; L347-F354 HydrophobicContact CD1-CZ 3.74Å; L347-L375 HydrophobicContact CB-CD1 3.96Å; L347-L375 HydrophobicContact CB-CD2 4.1Å |
| 348 | K | 81.8 | Confident | 89.6 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.2 | -174.6 | 72.2 | -174.5 | 179 | -175 | 0 | 114.6 | D345 | D345-K348 WeakPolarHBondContact O-CG 3.25Š|
| 349 | Q | 84.4 | Confident | 89.4 | Confident | 151 Ų | 151 | 62.4 Ų | 62.4 | 71% | 0.706 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -14 | -178.5 | -78.2 | 172.2 | -6.1 | 0 | 0 | 113.4 | L347 I351 | L347-Q349 PolarHBondContact O-N 3.2Å; L347-Q349 VanDerWaalsContact O-N 3.09Å; Q349-I351 PolarHBondContact O-N 3.2Å |
| 350 | E | 86.6 | Confident | 89.3 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | trans | -101.4 | 28.6 | -168.3 | -60.8 | -58.6 | 154.9 | 0 | 0 | 113.2 | V319 L347 K352 V353 | V319-E350 HydrophobicContact CG2-CB 4.05Å; V319-E350 HydrophobicContact CG2-CG 4.07Å; L347-E350 HydrophobicContact CD2-CB 4.12Å; L347-E350 HydrophobicContact CD2-CG 4.38Å; L347-E350 PolarHBondContact O-N 3.18Å; L347-E350 VanDerWaalsContact O-N 3.1Å; E350-K352 PolarHBondContact O-N 3.16Å; E350-K352 VanDerWaalsContact O-N 3.16Å; E350-V353 HydrophobicContact CB-CG2 4.25Å; E350-V353 WeakPolarHBondContact O-CB 3.37Å; E350-V353 PolarHBondContact O-N 3.34Å; E350-V353 VanDerWaalsContact O-N 3.16Å | ||
| 351 | I | 90.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -57.9 | -34.4 | -174 | -168.4 | 60.5 | 0 | 0 | 0 | 113.3 | Q349 V353 F354 F355 M372 L375 N380 V384 | Q349-I351 PolarHBondContact O-N 3.2Å; I351-V353 PolarHBondContact O-N 3.48Å; I351-F354 PolarHBondContact O-N 2.95Å; I351-F354 VanDerWaalsContact O-N 3.13Å; I351-F355 HydrophobicContact CG1-CE1 4.19Å; I351-M372 HydrophobicContact CD1-CB 4.4Å; I351-M372 HydrophobicContact CD1-CG 4.21Å; I351-L375 HydrophobicContact CD1-CB 3.87Å; I351-L375 HydrophobicContact CD1-CD1 4.45Å; I351-N380 HydrophobicContact CG2-CB 4.07Å; I351-V384 HydrophobicContact CD1-CG2 4.12Å; I351-V384 HydrophobicContact CG1-CG2 3.67Å |
| 352 | K | 91.3 | Very high | 89.6 | Confident | 137 Ų | 137 | 66.7 Ų | 66.7 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63.9 | -25.3 | -176.8 | -65.7 | -175.6 | 177.2 | -178.2 | 0 | 113.1 | E350 F354 F355 | E350-K352 PolarHBondContact O-N 3.16Å; E350-K352 VanDerWaalsContact O-N 3.16Å; K352-F354 PolarHBondContact O-N 3.21Å; K352-F355 HydrophobicContact CB-CD2 4.31Å; K352-F355 HydrophobicContact CB-CE2 4.21Å; K352-F355 HydrophobicContact CG-CD2 4.47Å; K352-F355 HydrophobicContact CG-CE2 3.89Å; K352-F355 HydrophobicContact CG-CZ 4.24Å; K352-F355 WeakPolarHBondContact O-CB 3.4Å; K352-F355 PolarHBondContact O-N 3.42Å |
| 353 | V | 91.4 | Very high | 89.8 | Confident | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -67.4 | -27.7 | 179.8 | -175 | 0 | 0 | 0 | 0 | 111 | V319 L322 E350 I351 F355 | V319-V353 HydrophobicContact CB-CG1 4.39Å; V319-V353 HydrophobicContact CG1-CB 4.46Å; V319-V353 HydrophobicContact CG1-CG1 3.82Å; V319-V353 HydrophobicContact CG1-CG2 3.81Å; V319-V353 HydrophobicContact CG2-CB 4.46Å; V319-V353 HydrophobicContact CG2-CG1 4.28Å; V319-V353 HydrophobicContact CG2-CG2 4.01Å; L322-V353 HydrophobicContact CB-CG1 4.29Å; L322-V353 HydrophobicContact CD1-CG1 3.65Å; E350-V353 HydrophobicContact CB-CG2 4.25Å; E350-V353 WeakPolarHBondContact O-CB 3.37Å; E350-V353 PolarHBondContact O-N 3.34Å; E350-V353 VanDerWaalsContact O-N 3.16Å; I351-V353 PolarHBondContact O-N 3.48Å; V353-F355 VanDerWaalsContact C-N 3.31Å |
| 354 | F | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -85.9 | -0.8 | 178.7 | -58.2 | -79.4 | 0 | 0 | 0 | 113.3 | L322 L333 I336 L347 I351 K352 V356 K368 I371 M372 L375 | L322-F354 HydrophobicContact CD1-CD1 4.03Å; L322-F354 HydrophobicContact CD1-CE1 3.53Å; L322-F354 HydrophobicContact CD1-CZ 3.98Å; L333-F354 HydrophobicContact CD2-CD1 3.99Å; L333-F354 HydrophobicContact CD2-CE1 3.98Å; I336-F354 HydrophobicContact CG2-CE1 4.13Å; I336-F354 HydrophobicContact CG2-CZ 4.13Å; L347-F354 HydrophobicContact CB-CE2 4.47Å; L347-F354 HydrophobicContact CD1-CE2 4.25Å; L347-F354 HydrophobicContact CD1-CZ 3.74Å; I351-F354 PolarHBondContact O-N 2.95Å; I351-F354 VanDerWaalsContact O-N 3.13Å; K352-F354 PolarHBondContact O-N 3.21Å; F354-V356 PolarHBondContact O-N 3.13Å; F354-K368 WeakPolarHBondContact O-CB 3.21Å; F354-K368 WeakPolarHBondContact O-CD 3.35Å; F354-I371 HydrophobicContact CD1-CB 4.13Å; F354-I371 HydrophobicContact CD1-CD1 4.34Å; F354-I371 HydrophobicContact CD1-CG2 3.66Å; F354-I371 HydrophobicContact CD2-CG2 4.36Å; F354-I371 HydrophobicContact CE1-CB 4.36Å; F354-I371 HydrophobicContact CE1-CD1 4.12Å; F354-I371 HydrophobicContact CE1-CG2 3.59Å; F354-I371 HydrophobicContact CE2-CG2 4.31Å; F354-I371 HydrophobicContact CG-CG2 4.07Å; F354-I371 HydrophobicContact CZ-CG2 3.95Å; F354-M372 HydrophobicContact CB-CG 3.57Å; F354-M372 HydrophobicContact CB-SD 4.35Å; F354-L375 HydrophobicContact CD2-CD1 3.86Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 4.27Å |
| 355 | F | 95.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 137.4 | 174.7 | -65.1 | -9.5 | 0 | 0 | 0 | 110.4 | I351 K352 V353 K368 M372 Q383 E387 Y391 | I351-F355 HydrophobicContact CG1-CE1 4.19Å; K352-F355 HydrophobicContact CB-CD2 4.31Å; K352-F355 HydrophobicContact CB-CE2 4.21Å; K352-F355 HydrophobicContact CG-CD2 4.47Å; K352-F355 HydrophobicContact CG-CE2 3.89Å; K352-F355 HydrophobicContact CG-CZ 4.24Å; K352-F355 WeakPolarHBondContact O-CB 3.4Å; K352-F355 PolarHBondContact O-N 3.42Å; V353-F355 VanDerWaalsContact C-N 3.31Å; F355-K368 PolarHBondContact O-NZ 3.41Å; F355-M372 HydrophobicContact CD1-CE 3.82Å; F355-M372 HydrophobicContact CD1-SD 3.97Å; F355-M372 HydrophobicContact CE1-CE 3.92Å; F355-Q383 HydrophobicContact CZ-CB 4.29Å; F355-E387 HydrophobicContact CD1-CG 4.09Å; F355-E387 HydrophobicContact CD2-CG 3.85Å; F355-E387 HydrophobicContact CE1-CG 3.94Å; F355-E387 HydrophobicContact CE2-CG 3.67Å; F355-E387 HydrophobicContact CG-CG 4.07Å; F355-E387 HydrophobicContact CZ-CG 3.73Å; F355-Y391 WeakPolarHBondContact CA-OH 3.48Å |
| 356 | V | 93.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 131.3 | -174.1 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | F354 K365 K368 Y391 F399 | F354-V356 PolarHBondContact O-N 3.13Å; V356-K365 HydrophobicContact CG1-CB 4.01Å; V356-K365 HydrophobicContact CG1-CD 3.55Å; V356-K365 HydrophobicContact CG1-CG 3.5Å; V356-K365 VanDerWaalsContact CG1-CG 3.5Å; V356-K365 HydrophobicContact CG2-CB 4.26Å; V356-K368 HydrophobicContact CG2-CB 4.1Å; V356-K368 HydrophobicContact CG2-CD 4.26Å; V356-Y391 HydrophobicContact CB-CE1 4.18Å; V356-Y391 HydrophobicContact CB-CE2 4.16Å; V356-Y391 HydrophobicContact CG2-CE2 4.1Å; V356-Y391 PolarHBondContact N-OH 3.28Å; V356-F399 HydrophobicContact CB-CZ 4.23Å; V356-F399 HydrophobicContact CG1-CZ 4.01Å; V356-F399 HydrophobicContact CG2-CE2 4.31Å; V356-F399 HydrophobicContact CG2-CZ 3.98Å |
| 357 | K | 91.8 | Very high | 91.5 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -93 | 152.6 | 173.8 | -57.8 | 174.4 | -178.2 | 170.3 | 0 | 109.7 | N359 D360 | K357-N359 VanDerWaalsContact CB-OD1 3.28Å; K357-N359 WeakPolarHBondContact CB-OD1 2.98Å; K357-N359 PolarHBondContact O-N 2.89Å; K357-N359 VanDerWaalsContact O-N 3.12Å; K357-D360 PolarHBondContact N-OD2 3.39Å; K357-D360 WeakPolarHBondContact O-CB 3.35Å; K357-D360 PolarHBondContact O-N 3.43Å; K357-D360 VanDerWaalsContact O-N 3.09Å |
| 358 | Y | 86.4 | Confident | 91.7 | Very high | 209 Ų | 209 | 59.7 Ų | 59.7 | 82% | 0.82 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.3 | 179.6 | 76 | -87.7 | 0 | 0 | 0 | 113.5 | ||
| 359 | N | 88.5 | Confident | 92.3 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.1 | -178.1 | 67.5 | -42.9 | 0 | 0 | 0 | 113.9 | K357 | K357-N359 VanDerWaalsContact CB-OD1 3.28Å; K357-N359 WeakPolarHBondContact CB-OD1 2.98Å; K357-N359 PolarHBondContact O-N 2.89Å; K357-N359 VanDerWaalsContact O-N 3.12Å |
| 360 | D | 93.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -69.5 | 135.1 | 175.3 | -71 | -21.6 | 0 | 0 | 0 | 109.4 | K357 V364 K365 K368 | K357-D360 PolarHBondContact N-OD2 3.39Å; K357-D360 WeakPolarHBondContact O-CB 3.35Å; K357-D360 PolarHBondContact O-N 3.43Å; K357-D360 VanDerWaalsContact O-N 3.09Å; D360-V364 HydrophobicContact CB-CB 4.5Å; D360-V364 HydrophobicContact CB-CG1 4.2Å; D360-K365 HydrophobicContact CB-CG 3.88Å; D360-K365 WeakPolarHBondContact O-CE 3.43Å; D360-K368 IonicContact OD1-NZ 3.96Å; D360-K368 IonicContact OD2-NZ 2.91Å; D360-K368 PolarHBondContact OD2-NZ 2.8Å |
| 361 | P | 94 | Very high | 93 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -70.5 | 154.3 | 174.2 | 30.1 | -34.2 | 0 | 0 | 0 | 110.9 | P326 Y363 V364 K365 | P326-P361 HydrophobicContact CB-CG 3.68Å; P326-P361 HydrophobicContact CG-CG 4.39Å; P361-Y363 VanDerWaalsContact C-N 3.29Å; P361-Y363 HydrophobicContact CB-CD1 3.91Å; P361-Y363 HydrophobicContact CB-CE1 3.45Å; P361-Y363 VanDerWaalsContact CB-CE1 3.45Å; P361-Y363 HydrophobicContact CG-CD1 4.19Å; P361-Y363 HydrophobicContact CG-CE1 3.55Å; P361-Y363 HydrophobicContact CG-CE2 3.97Å; P361-Y363 VanDerWaalsContact CG-CZ 3.42Å; P361-Y363 PolarHBondContact O-N 3.37Å; P361-Y363 VanDerWaalsContact O-N 3.13Å; P361-V364 HydrophobicContact CG-CB 4.1Å; P361-V364 HydrophobicContact CG-CG2 3.78Å; P361-V364 WeakPolarHBondContact O-CA 3.15Å; P361-V364 WeakPolarHBondContact O-CB 3.5Å; P361-V364 PolarHBondContact O-N 2.7Å; P361-K365 PolarHBondContact O-N 3.22Å | ||
| 362 | I | 93 | Very high | 93.1 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -48.6 | -47.2 | -174 | -171.9 | 57.2 | 0 | 0 | 0 | 113 | V364 K365 L366 F399 | I362-V364 VanDerWaalsContact C-N 3.27Å; I362-V364 PolarHBondContact O-N 2.88Å; I362-K365 WeakPolarHBondContact O-CA 3.38Å; I362-K365 WeakPolarHBondContact O-CB 3.07Å; I362-K365 PolarHBondContact O-N 3.45Å; I362-L366 HydrophobicContact CD1-CD2 4.09Å; I362-L366 HydrophobicContact CD1-CG 4.15Å; I362-L366 HydrophobicContact CG1-CD1 4.29Å; I362-L366 HydrophobicContact CG1-CG 4.24Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.98Å; I362-F399 HydrophobicContact CD1-CB 3.66Å; I362-F399 HydrophobicContact CD1-CD2 4.36Å; I362-F399 HydrophobicContact CD1-CG 4.33Å |
| 363 | Y | 94.3 | Very high | 93 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.8 | -29.9 | -178.7 | 61.5 | -94.7 | 0 | 0 | 0 | 113.7 | P326 Y330 P361 E367 | P326-Y363 WeakPolarHBondContact CB-OH 3.33Å; Y330-Y363 AromaticContact CD2-CD2 3.61Å; Y330-Y363 HydrophobicContact CD2-CD2 3.61Å; Y330-Y363 HydrophobicContact CD2-CE2 4.43Å; Y330-Y363 HydrophobicContact CD2-CG 4.48Å; Y330-Y363 HydrophobicContact CE2-CD2 4.3Å; Y330-Y363 AromaticContact CG-CD2 3.71Å; Y330-Y363 HydrophobicContact CG-CD2 3.71Å; Y330-Y363 HydrophobicContact CG-CE2 4.14Å; P361-Y363 VanDerWaalsContact C-N 3.29Å; P361-Y363 HydrophobicContact CB-CD1 3.91Å; P361-Y363 HydrophobicContact CB-CE1 3.45Å; P361-Y363 VanDerWaalsContact CB-CE1 3.45Å; P361-Y363 HydrophobicContact CG-CD1 4.19Å; P361-Y363 HydrophobicContact CG-CE1 3.55Å; P361-Y363 HydrophobicContact CG-CE2 3.97Å; P361-Y363 VanDerWaalsContact CG-CZ 3.42Å; P361-Y363 PolarHBondContact O-N 3.37Å; P361-Y363 VanDerWaalsContact O-N 3.13Å; Y363-E367 PolarHBondContact O-N 2.86Å |
| 364 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.3 | -43.4 | 171.8 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | P326 Q329 L333 D360 P361 I362 L366 E367 K368 | P326-V364 HydrophobicContact CB-CG2 4.35Å; Q329-V364 HydrophobicContact CB-CG2 4.42Å; L333-V364 HydrophobicContact CD1-CG1 3.82Å; D360-V364 HydrophobicContact CB-CB 4.5Å; D360-V364 HydrophobicContact CB-CG1 4.2Å; P361-V364 HydrophobicContact CG-CB 4.1Å; P361-V364 HydrophobicContact CG-CG2 3.78Å; P361-V364 WeakPolarHBondContact O-CA 3.15Å; P361-V364 WeakPolarHBondContact O-CB 3.5Å; P361-V364 PolarHBondContact O-N 2.7Å; I362-V364 VanDerWaalsContact C-N 3.27Å; I362-V364 PolarHBondContact O-N 2.88Å; V364-L366 VanDerWaalsContact C-N 3.29Å; V364-L366 PolarHBondContact O-N 3.2Å; V364-E367 PolarHBondContact O-N 3.09Å; V364-K368 HydrophobicContact CG1-CD 4.07Å; V364-K368 HydrophobicContact CG1-CG 4.36Å; V364-K368 WeakPolarHBondContact O-CB 3.46Å; V364-K368 WeakPolarHBondContact O-CG 3.4Å; V364-K368 PolarHBondContact O-N 3.45Å |
| 365 | K | 95.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 177.6 | -59 | -164.7 | 167.3 | -170.2 | 0 | 111.6 | V356 D360 P361 I362 K368 L369 E394 F399 | V356-K365 HydrophobicContact CG1-CB 4.01Å; V356-K365 HydrophobicContact CG1-CD 3.55Å; V356-K365 HydrophobicContact CG1-CG 3.5Å; V356-K365 VanDerWaalsContact CG1-CG 3.5Å; V356-K365 HydrophobicContact CG2-CB 4.26Å; D360-K365 HydrophobicContact CB-CG 3.88Å; D360-K365 WeakPolarHBondContact O-CE 3.43Å; P361-K365 PolarHBondContact O-N 3.22Å; I362-K365 WeakPolarHBondContact O-CA 3.38Å; I362-K365 WeakPolarHBondContact O-CB 3.07Å; I362-K365 PolarHBondContact O-N 3.45Å; K365-K368 PolarHBondContact O-N 3.07Å; K365-L369 WeakPolarHBondContact O-CB 3.19Å; K365-L369 PolarHBondContact O-N 3.18Å; K365-E394 IonicContact NZ-OE1 3.87Å; K365-E394 PolarHBondContact NZ-OE1 3.31Å; K365-E394 IonicContact NZ-OE2 2.68Å; K365-E394 PolarHBondContact NZ-OE2 3.16Å; K365-F399 HydrophobicContact CB-CD2 3.77Å; K365-F399 HydrophobicContact CB-CE2 3.56Å; K365-F399 HydrophobicContact CB-CZ 4.22Å; K365-F399 HydrophobicContact CD-CD1 4.29Å; K365-F399 HydrophobicContact CD-CD2 4.17Å; K365-F399 HydrophobicContact CD-CE1 4.25Å; K365-F399 HydrophobicContact CD-CE2 4.18Å; K365-F399 HydrophobicContact CD-CG 4.24Å; K365-F399 HydrophobicContact CD-CZ 4.2Å; K365-F399 HydrophobicContact CG-CE2 4.45Å |
| 366 | L | 93.5 | Very high | 92.5 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | -179.7 | -64.9 | -171.2 | 0 | 0 | 0 | 111.9 | I362 V364 K368 L369 D370 F399 K402 | I362-L366 HydrophobicContact CD1-CD2 4.09Å; I362-L366 HydrophobicContact CD1-CG 4.15Å; I362-L366 HydrophobicContact CG1-CD1 4.29Å; I362-L366 HydrophobicContact CG1-CG 4.24Å; I362-L366 VanDerWaalsContact O-CG 3.29Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.98Å; V364-L366 VanDerWaalsContact C-N 3.29Å; V364-L366 PolarHBondContact O-N 3.2Å; L366-K368 PolarHBondContact O-N 2.84Å; L366-L369 WeakPolarHBondContact O-CB 3.49Å; L366-L369 PolarHBondContact O-N 3.24Å; L366-D370 PolarHBondContact O-N 3.05Å; L366-F399 HydrophobicContact CD2-CD2 4.07Å; L366-K402 HydrophobicContact CD1-CD 4.31Å; L366-K402 HydrophobicContact CD2-CB 4.42Å; L366-K402 HydrophobicContact CD2-CD 3.38Å; L366-K402 HydrophobicContact CD2-CG 4.46Å; L366-K402 HydrophobicContact CG-CD 4.33Å |
| 367 | E | 94.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69 | -36.9 | -178.7 | -164.7 | 67.1 | -154.4 | 0 | 0 | 111.9 | L333 R334 N337 Y363 V364 L369 D370 I371 | L333-E367 HydrophobicContact CB-CB 4.14Å; L333-E367 HydrophobicContact CB-CG 3.5Å; L333-E367 HydrophobicContact CD1-CB 4.29Å; R334-E367 IonicContact NE-OE2 2.66Å; N337-E367 PolarHBondContact ND2-OE1 2.81Å; Y363-E367 PolarHBondContact O-N 2.86Å; V364-E367 PolarHBondContact O-N 3.09Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.31Å; E367-D370 PolarHBondContact O-N 3.37Å; E367-I371 HydrophobicContact CG-CD1 4.34Å; E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 2.93Å |
| 368 | K | 95.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 172 | -83.5 | -177.5 | 175.5 | -174 | 0 | 111.7 | L333 F354 F355 V356 D360 V364 K365 L366 D370 I371 M372 | L333-K368 HydrophobicContact CD1-CG 3.96Å; L333-K368 HydrophobicContact CD2-CG 3.98Å; F354-K368 WeakPolarHBondContact O-CB 3.21Å; F354-K368 WeakPolarHBondContact O-CD 3.35Å; F355-K368 PolarHBondContact O-NZ 3.41Å; V356-K368 HydrophobicContact CG2-CB 4.1Å; V356-K368 HydrophobicContact CG2-CD 4.26Å; D360-K368 IonicContact OD1-NZ 3.96Å; D360-K368 IonicContact OD2-NZ 2.91Å; D360-K368 PolarHBondContact OD2-NZ 2.8Å; V364-K368 HydrophobicContact CG1-CD 4.07Å; V364-K368 HydrophobicContact CG1-CG 4.36Å; V364-K368 WeakPolarHBondContact O-CB 3.46Å; V364-K368 WeakPolarHBondContact O-CG 3.4Å; V364-K368 PolarHBondContact O-N 3.45Å; K365-K368 PolarHBondContact O-N 3.07Å; L366-K368 PolarHBondContact O-N 2.84Å; K368-D370 VanDerWaalsContact C-N 3.34Å; K368-D370 PolarHBondContact O-N 2.78Å; K368-I371 PolarHBondContact O-N 2.96Å; K368-M372 WeakPolarHBondContact O-CB 3.42Å; K368-M372 VanDerWaalsContact O-CG 3.3Å; K368-M372 WeakPolarHBondContact O-CG 3.33Å; K368-M372 PolarHBondContact O-N 2.96Å |
| 369 | L | 94.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 178.3 | -176.1 | 64.7 | 0 | 0 | 0 | 111.6 | K365 L366 E367 I371 M372 I373 L388 F399 K402 A406 | K365-L369 WeakPolarHBondContact O-CB 3.19Å; K365-L369 PolarHBondContact O-N 3.18Å; L366-L369 WeakPolarHBondContact O-CB 3.49Å; L366-L369 PolarHBondContact O-N 3.24Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.31Å; L369-I371 PolarHBondContact O-N 2.86Å; L369-M372 WeakPolarHBondContact O-CB 3.36Å; L369-M372 PolarHBondContact O-N 3.06Å; L369-I373 WeakPolarHBondContact O-CG1 3.25Å; L369-I373 PolarHBondContact O-N 3.06Å; L369-L388 HydrophobicContact CD1-CD2 3.34Å; L369-F399 HydrophobicContact CD2-CE2 4.47Å; L369-K402 HydrophobicContact CD2-CB 3.75Å; L369-A406 HydrophobicContact CD1-CB 3.73Å; L369-A406 HydrophobicContact CD2-CB 4.21Å; L369-A406 HydrophobicContact CG-CB 4.1Å |
| 370 | D | 91.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.9 | -74.5 | -23.6 | 0 | 0 | 0 | 111.9 | L366 E367 K368 I373 R374 | L366-D370 PolarHBondContact O-N 3.05Å; E367-D370 PolarHBondContact O-N 3.37Å; K368-D370 VanDerWaalsContact C-N 3.34Å; K368-D370 PolarHBondContact O-N 2.78Å; D370-I373 PolarHBondContact O-N 2.89Å; D370-R374 WeakPolarHBondContact O-CG 3.46Å; D370-R374 PolarHBondContact O-N 3.35Å |
| 371 | I | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 176 | -66.2 | 165.6 | 0 | 0 | 0 | 111.4 | L333 I336 N337 F354 E367 K368 L369 I373 R374 L375 | L333-I371 HydrophobicContact CB-CD1 4.02Å; L333-I371 HydrophobicContact CD2-CD1 3.6Å; L333-I371 HydrophobicContact CG-CD1 4.44Å; L333-I371 WeakPolarHBondContact O-CD1 3.49Å; I336-I371 HydrophobicContact CB-CD1 4.39Å; I336-I371 HydrophobicContact CG2-CD1 4.08Å; N337-I371 HydrophobicContact CB-CD1 4.33Å; N337-I371 HydrophobicContact CB-CG1 4.08Å; F354-I371 HydrophobicContact CD1-CB 4.13Å; F354-I371 HydrophobicContact CD1-CD1 4.34Å; F354-I371 HydrophobicContact CD1-CG2 3.66Å; F354-I371 HydrophobicContact CD2-CG2 4.36Å; F354-I371 HydrophobicContact CE1-CB 4.36Å; F354-I371 HydrophobicContact CE1-CD1 4.12Å; F354-I371 HydrophobicContact CE1-CG2 3.59Å; F354-I371 HydrophobicContact CE2-CG2 4.31Å; F354-I371 HydrophobicContact CG-CG2 4.07Å; F354-I371 HydrophobicContact CZ-CG2 3.95Å; E367-I371 HydrophobicContact CG-CD1 4.34Å; E367-I371 WeakPolarHBondContact O-CG1 3.44Å; E367-I371 PolarHBondContact O-N 2.93Å; K368-I371 PolarHBondContact O-N 2.96Å; L369-I371 PolarHBondContact O-N 2.86Å; I371-I373 VanDerWaalsContact C-N 3.35Å; I371-I373 PolarHBondContact O-N 2.9Å; I371-R374 PolarHBondContact O-N 2.81Å; I371-R374 VanDerWaalsContact O-N 3.15Å; I371-L375 HydrophobicContact CG2-CD1 3.73Å; I371-L375 HydrophobicContact CG2-CG 4.19Å; I371-L375 WeakPolarHBondContact O-CG 3.36Å; I371-L375 PolarHBondContact O-N 2.93Å |
| 372 | M | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.2 | -51.1 | 175.7 | -77.9 | 174.1 | 57.7 | 0 | 0 | 110.7 | I351 F354 F355 K368 L369 R374 L375 I376 V384 Y391 | I351-M372 HydrophobicContact CD1-CB 4.4Å; I351-M372 HydrophobicContact CD1-CG 4.21Å; F354-M372 HydrophobicContact CB-CG 3.57Å; F354-M372 HydrophobicContact CB-SD 4.35Å; F355-M372 HydrophobicContact CD1-CE 3.82Å; F355-M372 HydrophobicContact CD1-SD 3.97Å; F355-M372 HydrophobicContact CE1-CE 3.92Å; K368-M372 WeakPolarHBondContact O-CB 3.42Å; K368-M372 VanDerWaalsContact O-CG 3.3Å; K368-M372 WeakPolarHBondContact O-CG 3.33Å; K368-M372 PolarHBondContact O-N 2.96Å; L369-M372 WeakPolarHBondContact O-CB 3.36Å; L369-M372 PolarHBondContact O-N 3.06Å; M372-R374 PolarHBondContact O-N 2.81Å; M372-L375 PolarHBondContact O-N 2.77Å; M372-L375 VanDerWaalsContact O-N 3.11Å; M372-I376 WeakPolarHBondContact O-CG1 3.28Å; M372-I376 PolarHBondContact O-N 2.72Å; M372-I376 VanDerWaalsContact O-N 3.09Å; M372-V384 HydrophobicContact CE-CG1 3.74Å; M372-V384 HydrophobicContact CE-CG2 4.46Å; M372-Y391 HydrophobicContact CE-CE2 4.18Å; M372-Y391 HydrophobicContact SD-CE2 4.36Å |
| 373 | I | 90.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -35.8 | 179.2 | -66.9 | -49.7 | 0 | 0 | 0 | 112.3 | L369 D370 I371 I376 L388 A406 R409 K413 | L369-I373 WeakPolarHBondContact O-CG1 3.25Å; L369-I373 PolarHBondContact O-N 3.06Å; D370-I373 PolarHBondContact O-N 2.89Å; I371-I373 VanDerWaalsContact C-N 3.35Å; I371-I373 PolarHBondContact O-N 2.9Å; I373-I376 HydrophobicContact CD1-CD1 3.53Å; I373-L388 HydrophobicContact CD1-CD1 4.4Å; I373-A406 HydrophobicContact CD1-CB 3.69Å; I373-A406 HydrophobicContact CG1-CB 3.85Å; I373-R409 HydrophobicContact CG2-CB 3.92Å; I373-K413 PolarHBondContact O-NZ 3.49Å |
| 374 | R | 88.9 | Confident | 92.5 | Very high | 44 Ų | 44 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 176.8 | -68.4 | 176.9 | -168.7 | -87.1 | 2 | 112.6 | N337 V340 D370 I371 M372 K413 D583 M584 | N337-R374 PolarHBondContact OD1-NE 2.92Å; V340-R374 HydrophobicContact CG1-CB 4.39Å; D370-R374 WeakPolarHBondContact O-CG 3.46Å; D370-R374 PolarHBondContact O-N 3.35Å; I371-R374 PolarHBondContact O-N 2.81Å; I371-R374 VanDerWaalsContact O-N 3.15Å; M372-R374 PolarHBondContact O-N 2.81Å; R374-K413 PolarHBondContact O-NZ 2.85Å; R374-D583 PolarHBondContact NH1-O 3.43Å; R374-D583 VanDerWaalsContact NH1-O 3.13Å; R374-D583 PolarHBondContact NH2-O 3.48Å; R374-M584 PolarHBondContact NH1-SD 3.04Å |
| 375 | L | 90.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -82.1 | -7.3 | -178.4 | -68.7 | 177.5 | 0 | 0 | 0 | 114.9 | V340 L347 I351 F354 I371 M372 N377 N380 | V340-L375 HydrophobicContact CB-CD2 4.47Å; V340-L375 HydrophobicContact CG1-CD2 3.46Å; V340-L375 VanDerWaalsContact CG1-CD2 3.46Å; V340-L375 HydrophobicContact CG1-CG 4.03Å; V340-L375 HydrophobicContact CG2-CD2 4.11Å; L347-L375 HydrophobicContact CB-CD1 3.96Å; L347-L375 HydrophobicContact CB-CD2 4.1Å; I351-L375 HydrophobicContact CD1-CB 3.87Å; I351-L375 HydrophobicContact CD1-CD1 4.45Å; F354-L375 HydrophobicContact CD2-CD1 3.86Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 4.27Å; I371-L375 HydrophobicContact CG2-CD1 3.73Å; I371-L375 HydrophobicContact CG2-CG 4.19Å; I371-L375 WeakPolarHBondContact O-CG 3.36Å; I371-L375 PolarHBondContact O-N 2.93Å; M372-L375 PolarHBondContact O-N 2.77Å; M372-L375 VanDerWaalsContact O-N 3.11Å; L375-N377 PolarHBondContact O-N 2.7Å; L375-N377 PolarHBondContact O-ND2 3.27Å; L375-N380 PolarHBondContact O-ND2 3.12Å |
| 376 | I | 90.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | -56.7 | 134.5 | 176.9 | -80.1 | 171.3 | 0 | 0 | 0 | 111.7 | M372 I373 N380 I381 V384 C410 K413 I414 | M372-I376 WeakPolarHBondContact O-CG1 3.28Å; M372-I376 PolarHBondContact O-N 2.72Å; M372-I376 VanDerWaalsContact O-N 3.09Å; I373-I376 HydrophobicContact CD1-CD1 3.53Å; I376-N380 WeakPolarHBondContact CA-OD1 3.41Å; I376-I381 HydrophobicContact CD1-CD1 4.29Å; I376-I381 HydrophobicContact CG2-CD1 3.94Å; I376-V384 HydrophobicContact CD1-CB 4.33Å; I376-V384 HydrophobicContact CD1-CG1 3.64Å; I376-V384 HydrophobicContact CG1-CB 4.19Å; I376-V384 HydrophobicContact CG1-CG1 3.91Å; I376-V384 HydrophobicContact CG1-CG2 4.07Å; I376-C410 HydrophobicContact CD1-CB 4.43Å; I376-C410 WeakPolarHBondContact CD1-SG 3.48Å; I376-K413 HydrophobicContact CB-CD 4.49Å; I376-K413 HydrophobicContact CG2-CD 4.33Å; I376-K413 WeakPolarHBondContact O-CE 3.38Å; I376-I414 HydrophobicContact CG2-CD1 3.25Å; I376-I414 HydrophobicContact CG2-CG1 3.97Å | ||
| 377 | N | 90.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 31.5 Ų | 31.5 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | trans | -149.8 | 175.5 | 174.8 | 63.7 | 60.7 | 0 | 0 | 0 | 110.2 | L375 S379 N380 I381 I414 | L375-N377 PolarHBondContact O-N 2.7Å; L375-N377 PolarHBondContact O-ND2 3.27Å; N377-S379 PolarHBondContact O-N 2.9Å; N377-S379 VanDerWaalsContact O-N 3.08Å; N377-S379 WeakPolarHBondContact OD1-CA 3.32Å; N377-S379 WeakPolarHBondContact OD1-CB 3.22Å; N377-S379 PolarHBondContact OD1-N 2.7Å; N377-S379 PolarHBondContact OD1-OG 2.68Å; N377-N380 PolarHBondContact N-OD1 2.8Å; N377-N380 PolarHBondContact ND2-ND2 3.13Å; N377-N380 VanDerWaalsContact ND2-ND2 3.15Å; N377-N380 PolarHBondContact O-N 2.8Å; N377-N380 PolarHBondContact O-OD1 3.32Å; N377-N380 PolarHBondContact OD1-N 2.97Å; N377-I381 WeakPolarHBondContact O-CB 3.5Å; N377-I381 PolarHBondContact O-N 3.49Å; N377-I381 VanDerWaalsContact O-N 3.13Å; N377-I414 WeakPolarHBondContact O-CD1 3.47Å | ||
| 378 | Q | 90.1 | Very high | 92.6 | Very high | 126 Ų | 126 | 30.9 Ų | 30.9 | 59% | 0.589 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.9 | -176.6 | -69.3 | -68.2 | -1.9 | 0 | 0 | 114.3 | S416 | Q378-S416 VanDerWaalsContact CD-OG 3.26Å; Q378-S416 PolarHBondContact NE2-OG 2.86Å; Q378-S416 PolarHBondContact OE1-OG 2.87Å |
| 379 | S | 89.9 | Confident | 92.5 | Very high | 97 Ų | 97 | 33.6 Ų | 33.6 | 68% | 0.678 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -29 | -176.3 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | N377 | N377-S379 PolarHBondContact O-N 2.9Å; N377-S379 VanDerWaalsContact O-N 3.08Å; N377-S379 WeakPolarHBondContact OD1-CA 3.32Å; N377-S379 WeakPolarHBondContact OD1-CB 3.22Å; N377-S379 PolarHBondContact OD1-N 2.7Å; N377-S379 PolarHBondContact OD1-OG 2.68Å |
| 380 | N | 92.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -13.5 | -173.2 | 65.8 | 15 | 0 | 0 | 0 | 114.1 | I351 L375 I376 N377 G382 Q383 V384 | I351-N380 HydrophobicContact CG2-CB 4.07Å; L375-N380 PolarHBondContact O-ND2 3.12Å; I376-N380 WeakPolarHBondContact CA-OD1 3.41Å; N377-N380 PolarHBondContact N-OD1 2.8Å; N377-N380 PolarHBondContact ND2-ND2 3.13Å; N377-N380 VanDerWaalsContact ND2-ND2 3.15Å; N377-N380 PolarHBondContact O-N 2.8Å; N377-N380 PolarHBondContact O-OD1 3.32Å; N377-N380 PolarHBondContact OD1-N 2.97Å; N380-G382 PolarHBondContact O-N 3.44Å; N380-G382 VanDerWaalsContact O-N 3.13Å; N380-Q383 PolarHBondContact O-N 3.21Å; N380-V384 PolarHBondContact O-N 3.41Å; N380-V384 VanDerWaalsContact O-N 3.09Å |
| 381 | I | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -35.7 | -175.6 | -175.3 | 52.7 | 0 | 0 | 0 | 114.1 | I376 N377 Q383 V384 L385 C410 I414 A417 | I376-I381 HydrophobicContact CD1-CD1 4.29Å; I376-I381 HydrophobicContact CG2-CD1 3.94Å; N377-I381 WeakPolarHBondContact O-CB 3.5Å; N377-I381 PolarHBondContact O-N 3.49Å; N377-I381 VanDerWaalsContact O-N 3.13Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 PolarHBondContact O-N 3.05Å; I381-V384 PolarHBondContact O-N 3.31Å; I381-L385 VanDerWaalsContact O-CB 3.28Å; I381-L385 WeakPolarHBondContact O-CB 3.47Å; I381-L385 PolarHBondContact O-N 3.16Å; I381-C410 HydrophobicContact CD1-CB 3.81Å; I381-I414 HydrophobicContact CB-CD1 3.84Å; I381-I414 HydrophobicContact CD1-CD1 4.43Å; I381-I414 HydrophobicContact CG1-CD1 4.07Å; I381-I414 HydrophobicContact CG2-CD1 4.32Å; I381-A417 HydrophobicContact CD1-CB 4.22Å; I381-A417 HydrophobicContact CG1-CB 3.4Å; I381-A417 VanDerWaalsContact CG1-CB 3.4Å; I381-A417 HydrophobicContact CG2-CB 4.37Å |
| 382 | G | 92.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 37% | 0.371 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N380 A386 | N380-G382 PolarHBondContact O-N 3.44Å; N380-G382 VanDerWaalsContact O-N 3.13Å; G382-A386 PolarHBondContact O-N 2.81Å |
| 383 | Q | 93.3 | Very high | 92.4 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.1 | -45.7 | 177.8 | -67.2 | 172.3 | 73.1 | 0 | 0 | 110.6 | F355 N380 I381 L385 A386 E387 | F355-Q383 HydrophobicContact CZ-CB 4.29Å; N380-Q383 PolarHBondContact O-N 3.21Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 PolarHBondContact O-N 3.05Å; Q383-L385 PolarHBondContact O-N 2.84Å; Q383-A386 PolarHBondContact O-N 3.23Å; Q383-E387 WeakPolarHBondContact O-CG 3.32Å; Q383-E387 PolarHBondContact O-N 3.47Å; Q383-E387 VanDerWaalsContact O-N 3.11Å |
| 384 | V | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -44 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | I351 M372 I376 N380 I381 A386 E387 L388 | I351-V384 HydrophobicContact CD1-CG2 4.12Å; I351-V384 HydrophobicContact CG1-CG2 3.67Å; M372-V384 HydrophobicContact CE-CG1 3.74Å; M372-V384 HydrophobicContact CE-CG2 4.46Å; I376-V384 HydrophobicContact CD1-CB 4.33Å; I376-V384 HydrophobicContact CD1-CG1 3.64Å; I376-V384 HydrophobicContact CG1-CB 4.19Å; I376-V384 HydrophobicContact CG1-CG1 3.91Å; I376-V384 HydrophobicContact CG1-CG2 4.07Å; N380-V384 PolarHBondContact O-N 3.41Å; N380-V384 VanDerWaalsContact O-N 3.09Å; I381-V384 PolarHBondContact O-N 3.31Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 2.91Å; V384-E387 PolarHBondContact O-N 3.21Å; V384-L388 HydrophobicContact CG1-CD1 3.96Å; V384-L388 HydrophobicContact CG1-CG 4.18Å; V384-L388 VanDerWaalsContact O-CG 3.28Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.32Å |
| 385 | L | 95.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 178 | -178.9 | 60.7 | 0 | 0 | 0 | 112.3 | I381 Q383 E387 L388 K389 I407 R420 A424 | I381-L385 VanDerWaalsContact O-CB 3.28Å; I381-L385 WeakPolarHBondContact O-CB 3.47Å; I381-L385 PolarHBondContact O-N 3.16Å; Q383-L385 PolarHBondContact O-N 2.84Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-L388 PolarHBondContact O-N 3.42Å; L385-K389 WeakPolarHBondContact O-CG 3.41Å; L385-K389 PolarHBondContact O-N 2.97Å; L385-K389 VanDerWaalsContact O-N 3.09Å; L385-I407 HydrophobicContact CD1-CG1 4.27Å; L385-I407 HydrophobicContact CD1-CG2 3.96Å; L385-R420 HydrophobicContact CD2-CB 3.6Å; L385-A424 HydrophobicContact CD1-CB 4.16Å |
| 386 | A | 94.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 52 Ų | 52 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G382 Q383 V384 K389 E390 | G382-A386 PolarHBondContact O-N 2.81Å; Q383-A386 PolarHBondContact O-N 3.23Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 2.91Å; A386-K389 PolarHBondContact O-N 3.4Å; A386-E390 PolarHBondContact O-N 3.03Å |
| 387 | E | 94.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 175.8 | -68.6 | -66.6 | 142.7 | 0 | 0 | 112.1 | F355 Q383 V384 L385 K389 E390 Y391 | F355-E387 HydrophobicContact CD1-CG 4.09Å; F355-E387 HydrophobicContact CD2-CG 3.85Å; F355-E387 HydrophobicContact CE1-CG 3.94Å; F355-E387 HydrophobicContact CE2-CG 3.67Å; F355-E387 HydrophobicContact CG-CG 4.07Å; F355-E387 HydrophobicContact CZ-CG 3.73Å; Q383-E387 WeakPolarHBondContact O-CG 3.32Å; Q383-E387 PolarHBondContact O-N 3.47Å; Q383-E387 VanDerWaalsContact O-N 3.11Å; V384-E387 PolarHBondContact O-N 3.21Å; L385-E387 VanDerWaalsContact C-N 3.34Å; E387-K389 PolarHBondContact O-N 2.68Å; E387-E390 WeakPolarHBondContact O-CA 3.41Å; E387-E390 PolarHBondContact O-N 3.09Å; E387-Y391 HydrophobicContact CB-CE1 4.27Å; E387-Y391 HydrophobicContact CB-CE2 4.16Å; E387-Y391 VanDerWaalsContact O-CD1 3.27Å; E387-Y391 WeakPolarHBondContact O-CD1 3.47Å; E387-Y391 VanDerWaalsContact O-CG 3.3Å; E387-Y391 PolarHBondContact O-N 3.25Å; E387-Y391 PolarHBondContact OE2-OH 2.99Å |
| 388 | L | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -34.7 | 177.9 | -68.9 | 175.4 | 0 | 0 | 0 | 112.6 | L369 I373 V384 L385 E390 Y391 A392 A406 I407 C410 | L369-L388 HydrophobicContact CD1-CD2 3.34Å; I373-L388 HydrophobicContact CD1-CD1 4.4Å; V384-L388 HydrophobicContact CG1-CD1 3.96Å; V384-L388 HydrophobicContact CG1-CG 4.18Å; V384-L388 VanDerWaalsContact O-CG 3.28Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.32Å; L385-L388 PolarHBondContact O-N 3.42Å; L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 3.34Å; L388-Y391 HydrophobicContact CD2-CD2 4.11Å; L388-Y391 PolarHBondContact O-N 3.49Å; L388-A392 PolarHBondContact O-N 3.32Å; L388-A406 HydrophobicContact CD1-CB 4.18Å; L388-A406 HydrophobicContact CD2-CB 3.81Å; L388-I407 HydrophobicContact CB-CD1 4.16Å; L388-I407 HydrophobicContact CB-CG1 3.65Å; L388-I407 HydrophobicContact CD1-CG1 3.96Å; L388-I407 HydrophobicContact CG-CG1 4.4Å; L388-C410 WeakPolarHBondContact CD1-SG 3.24Å |
| 389 | K | 93.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 27% | 0.265 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 173.6 | -73.2 | -174.4 | 76.6 | 166.3 | 0 | 112.4 | L385 A386 E387 A424 D427 | L385-K389 WeakPolarHBondContact O-CG 3.41Å; L385-K389 PolarHBondContact O-N 2.97Å; L385-K389 VanDerWaalsContact O-N 3.09Å; A386-K389 PolarHBondContact O-N 3.4Å; E387-K389 PolarHBondContact O-N 2.68Å; K389-A424 HydrophobicContact CD-CB 3.74Å; K389-A424 HydrophobicContact CG-CB 3.83Å; K389-D427 IonicContact NZ-OD2 3.69Å; K389-D427 PolarHBondContact NZ-OD2 3.4Å |
| 390 | E | 93.2 | Very high | 92.7 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -75.6 | -36.9 | 175.1 | -63.4 | -51.8 | 134.2 | 0 | 0 | 111.4 | A386 E387 L388 A392 K393 | A386-E390 PolarHBondContact O-N 3.03Å; E387-E390 WeakPolarHBondContact O-CA 3.41Å; E387-E390 PolarHBondContact O-N 3.09Å; L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 3.34Å; E390-A392 VanDerWaalsContact C-N 3.25Å; E390-A392 PolarHBondContact O-N 2.78Å; E390-K393 VanDerWaalsContact CD-NZ 3.26Å; E390-K393 WeakPolarHBondContact O-CB 3.49Å; E390-K393 PolarHBondContact O-N 3.16Å; E390-K393 IonicContact OE1-NZ 3.11Å; E390-K393 PolarHBondContact OE1-NZ 2.78Å; E390-K393 IonicContact OE2-NZ 3.82Å; E390-K393 PolarHBondContact OE2-NZ 2.76Å |
| 391 | Y | 94.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -31.9 | 176.7 | -60 | -9.4 | 0 | 0 | 0 | 112.3 | F355 V356 M372 E387 L388 K393 E394 F399 | F355-Y391 WeakPolarHBondContact CA-OH 3.48Å; V356-Y391 HydrophobicContact CB-CE1 4.18Å; V356-Y391 HydrophobicContact CB-CE2 4.16Å; V356-Y391 HydrophobicContact CG2-CE2 4.1Å; V356-Y391 PolarHBondContact N-OH 3.28Å; M372-Y391 HydrophobicContact CE-CE2 4.18Å; M372-Y391 HydrophobicContact SD-CE2 4.36Å; E387-Y391 HydrophobicContact CB-CE1 4.27Å; E387-Y391 HydrophobicContact CB-CE2 4.16Å; E387-Y391 VanDerWaalsContact O-CD1 3.27Å; E387-Y391 WeakPolarHBondContact O-CD1 3.47Å; E387-Y391 VanDerWaalsContact O-CG 3.3Å; E387-Y391 PolarHBondContact O-N 3.25Å; E387-Y391 PolarHBondContact OE2-OH 2.99Å; L388-Y391 HydrophobicContact CD2-CD2 4.11Å; L388-Y391 PolarHBondContact O-N 3.49Å; Y391-K393 PolarHBondContact O-N 3.47Å; Y391-E394 WeakPolarHBondContact O-CB 3.37Å; Y391-E394 PolarHBondContact O-N 2.61Å; Y391-F399 HydrophobicContact CD1-CE1 4.46Å; Y391-F399 HydrophobicContact CD2-CE1 4.43Å; Y391-F399 AromaticContact CD2-CZ 3.9Å; Y391-F399 HydrophobicContact CD2-CZ 3.9Å; Y391-F399 AromaticContact CG-CE1 3.96Å; Y391-F399 HydrophobicContact CG-CE1 3.96Å; Y391-F399 AromaticContact CG-CZ 3.89Å; Y391-F399 HydrophobicContact CG-CZ 3.89Å |
| 392 | A | 91.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L388 E390 V400 V404 L428 | L388-A392 PolarHBondContact O-N 3.32Å; E390-A392 VanDerWaalsContact C-N 3.25Å; E390-A392 PolarHBondContact O-N 2.78Å; A392-V400 WeakPolarHBondContact O-CG1 3.41Å; A392-V404 HydrophobicContact CB-CG2 4.19Å; A392-L428 HydrophobicContact CB-CD1 3.71Å; A392-L428 HydrophobicContact CB-CD2 3.57Å; A392-L428 HydrophobicContact CB-CG 4.31Å |
| 393 | K | 89.3 | Confident | 93 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2 | 175.9 | -57.2 | 173 | -167.4 | 160.9 | 0 | 113.2 | E390 Y391 | E390-K393 VanDerWaalsContact CD-NZ 3.26Å; E390-K393 WeakPolarHBondContact O-CB 3.49Å; E390-K393 PolarHBondContact O-N 3.16Å; E390-K393 IonicContact OE1-NZ 3.11Å; E390-K393 PolarHBondContact OE1-NZ 2.78Å; E390-K393 IonicContact OE2-NZ 3.82Å; E390-K393 PolarHBondContact OE2-NZ 2.76Å; Y391-K393 PolarHBondContact O-N 3.47Å |
| 394 | E | 89.6 | Confident | 93.2 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -67.4 | 169.6 | 174.8 | -76.4 | -156.8 | 172.5 | 0 | 0 | 112.1 | K365 Y391 F399 V400 | K365-E394 IonicContact NZ-OE1 3.87Å; K365-E394 PolarHBondContact NZ-OE1 3.31Å; K365-E394 IonicContact NZ-OE2 2.68Å; K365-E394 PolarHBondContact NZ-OE2 3.16Å; Y391-E394 WeakPolarHBondContact O-CB 3.37Å; Y391-E394 PolarHBondContact O-N 2.61Å; E394-F399 HydrophobicContact CB-CD1 4.24Å; E394-F399 HydrophobicContact CG-CD1 4.3Å; E394-F399 HydrophobicContact CG-CE1 4.27Å; E394-F399 WeakPolarHBondContact OE2-CD1 3.17Å; E394-F399 WeakPolarHBondContact OE2-CE1 3.38Å; E394-V400 HydrophobicContact CB-CG2 4.05Å; E394-V400 VanDerWaalsContact O-CG2 3.23Å; E394-V400 WeakPolarHBondContact O-CG2 3.42Å |
| 395 | V | 87.2 | Confident | 93.1 | Very high | 135 Ų | 135 | 51.8 Ų | 51.8 | 82% | 0.818 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -86.3 | -29.9 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | V397 | V395-V397 PolarHBondContact O-N 3.14Š|
| 396 | D | 91.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | trans | -73.3 | 113.4 | -175.5 | -172.8 | -66 | 0 | 0 | 0 | 110.8 | D398 F399 V400 | D396-D398 PolarHBondContact O-N 3.32Å; D396-D398 PolarHBondContact OD1-N 3.25Å; D396-F399 HydrophobicContact CB-CB 4Å; D396-F399 PolarHBondContact O-N 2.84Å; D396-F399 PolarHBondContact OD1-N 2.83Å; D396-V400 WeakPolarHBondContact O-CB 3.29Å; D396-V400 WeakPolarHBondContact O-CG2 3.48Å; D396-V400 PolarHBondContact O-N 3.42Å | ||
| 397 | V | 90.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | -172.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | V395 V400 R401 Y435 | V395-V397 PolarHBondContact O-N 3.14Å; V397-V400 PolarHBondContact O-N 3.45Å; V397-R401 HydrophobicContact CG1-CG 4.48Å; V397-R401 WeakPolarHBondContact O-CG 3.23Å; V397-R401 PolarHBondContact O-N 3.18Å; V397-Y435 HydrophobicContact CG1-CD2 4.02Å; V397-Y435 HydrophobicContact CG1-CG 4.03Å; V397-Y435 HydrophobicContact CG2-CD1 4.45Å; V397-Y435 HydrophobicContact CG2-CE1 4.31Å |
| 398 | D | 91 | Very high | 93 | Very high | 110 Ų | 110 | 46 Ų | 46 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.4 | -41.6 | -178.2 | -68 | -35.5 | 0 | 0 | 0 | 111.1 | D396 K402 | D396-D398 PolarHBondContact O-N 3.32Å; D396-D398 PolarHBondContact OD1-N 3.25Å; D398-K402 PolarHBondContact O-N 3.4Å; D398-K402 VanDerWaalsContact O-N 3.16Å |
| 399 | F | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 175.2 | -175.1 | -119 | 0 | 0 | 0 | 111.9 | V356 I362 K365 L366 L369 Y391 E394 D396 R401 K402 A403 | V356-F399 HydrophobicContact CB-CZ 4.23Å; V356-F399 HydrophobicContact CG1-CZ 4.01Å; V356-F399 HydrophobicContact CG2-CE2 4.31Å; V356-F399 HydrophobicContact CG2-CZ 3.98Å; I362-F399 HydrophobicContact CD1-CB 3.66Å; I362-F399 HydrophobicContact CD1-CD2 4.36Å; I362-F399 HydrophobicContact CD1-CG 4.33Å; K365-F399 HydrophobicContact CB-CD2 3.77Å; K365-F399 HydrophobicContact CB-CE2 3.56Å; K365-F399 HydrophobicContact CB-CZ 4.22Å; K365-F399 HydrophobicContact CD-CD1 4.29Å; K365-F399 HydrophobicContact CD-CD2 4.17Å; K365-F399 HydrophobicContact CD-CE1 4.25Å; K365-F399 HydrophobicContact CD-CE2 4.18Å; K365-F399 HydrophobicContact CD-CG 4.24Å; K365-F399 HydrophobicContact CD-CZ 4.2Å; K365-F399 HydrophobicContact CG-CE2 4.45Å; L366-F399 HydrophobicContact CD2-CD2 4.07Å; L369-F399 HydrophobicContact CD2-CE2 4.47Å; Y391-F399 HydrophobicContact CD1-CE1 4.46Å; Y391-F399 HydrophobicContact CD2-CE1 4.43Å; Y391-F399 AromaticContact CD2-CZ 3.9Å; Y391-F399 HydrophobicContact CD2-CZ 3.9Å; Y391-F399 AromaticContact CG-CE1 3.96Å; Y391-F399 HydrophobicContact CG-CE1 3.96Å; Y391-F399 AromaticContact CG-CZ 3.89Å; Y391-F399 HydrophobicContact CG-CZ 3.89Å; E394-F399 HydrophobicContact CB-CD1 4.24Å; E394-F399 HydrophobicContact CG-CD1 4.3Å; E394-F399 HydrophobicContact CG-CE1 4.27Å; E394-F399 WeakPolarHBondContact OE2-CD1 3.17Å; E394-F399 WeakPolarHBondContact OE2-CE1 3.38Å; D396-F399 HydrophobicContact CB-CB 4Å; D396-F399 PolarHBondContact O-N 2.84Å; D396-F399 PolarHBondContact OD1-N 2.83Å; F399-R401 PolarHBondContact O-N 3.1Å; F399-K402 PolarHBondContact O-N 3.05Å; F399-A403 WeakPolarHBondContact O-CB 3.27Å; F399-A403 PolarHBondContact O-N 3.39Å |
| 400 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | -179.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | A392 E394 D396 V397 K402 A403 V404 Y435 V436 | A392-V400 WeakPolarHBondContact O-CG1 3.41Å; E394-V400 HydrophobicContact CB-CG2 4.05Å; E394-V400 VanDerWaalsContact O-CG2 3.23Å; E394-V400 WeakPolarHBondContact O-CG2 3.42Å; D396-V400 WeakPolarHBondContact O-CB 3.29Å; D396-V400 WeakPolarHBondContact O-CG2 3.48Å; D396-V400 PolarHBondContact O-N 3.42Å; V397-V400 PolarHBondContact O-N 3.45Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 3.02Å; V400-A403 WeakPolarHBondContact O-CB 3.42Å; V400-A403 PolarHBondContact O-N 2.76Å; V400-A403 VanDerWaalsContact O-N 3.11Å; V400-V404 HydrophobicContact CG1-CG2 4.38Å; V400-V404 WeakPolarHBondContact O-CG2 3.34Å; V400-V404 PolarHBondContact O-N 2.83Å; V400-Y435 HydrophobicContact CB-CE2 4.06Å; V400-Y435 HydrophobicContact CG1-CD2 4.25Å; V400-Y435 HydrophobicContact CG1-CE2 3.71Å; V400-V436 HydrophobicContact CG1-CG2 3.73Å |
| 401 | R | 94.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 42 Ų | 42 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 176.4 | -74.6 | -178.5 | -171.6 | -157.3 | 1 | 111.6 | V397 F399 A403 V404 R405 E439 E471 | V397-R401 HydrophobicContact CG1-CG 4.48Å; V397-R401 WeakPolarHBondContact O-CG 3.23Å; V397-R401 PolarHBondContact O-N 3.18Å; F399-R401 PolarHBondContact O-N 3.1Å; R401-A403 VanDerWaalsContact C-N 3.3Å; R401-A403 PolarHBondContact O-N 2.96Å; R401-V404 PolarHBondContact O-N 3.16Å; R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 PolarHBondContact O-N 2.76Å; R401-E439 HydrophobicContact CB-CG 4.12Å; R401-E439 HydrophobicContact CG-CB 4.29Å; R401-E439 HydrophobicContact CG-CG 4.35Å; R401-E439 WeakPolarHBondContact O-CG 3.46Å; R401-E471 IonicContact CZ-OE1 3.97Å; R401-E471 IonicContact CZ-OE2 3.44Å; R401-E471 VanDerWaalsContact NH1-CD 3.33Å; R401-E471 IonicContact NH1-OE1 3.58Å; R401-E471 PolarHBondContact NH1-OE1 3.13Å; R401-E471 IonicContact NH1-OE2 2.81Å; R401-E471 PolarHBondContact NH1-OE2 3.25Å; R401-E471 VanDerWaalsContact NH1-OE2 3.11Å; R401-E471 IonicContact NH2-OE1 3.62Å; R401-E471 PolarHBondContact NH2-OE1 3.49Å; R401-E471 IonicContact NH2-OE2 3.86Å |
| 402 | K | 93.5 | Very high | 92.4 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.8 | -36 | 176.5 | -77.8 | -174.3 | 163.2 | -153.7 | 0 | 112.7 | L366 L369 D398 F399 V400 R405 A406 | L366-K402 HydrophobicContact CD1-CD 4.31Å; L366-K402 HydrophobicContact CD2-CB 4.42Å; L366-K402 HydrophobicContact CD2-CD 3.38Å; L366-K402 HydrophobicContact CD2-CG 4.46Å; L366-K402 HydrophobicContact CG-CD 4.33Å; L369-K402 HydrophobicContact CD2-CB 3.75Å; D398-K402 PolarHBondContact O-N 3.4Å; D398-K402 VanDerWaalsContact O-N 3.16Å; F399-K402 PolarHBondContact O-N 3.05Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 3.02Å; K402-R405 PolarHBondContact O-N 3.19Å; K402-A406 VanDerWaalsContact O-CB 3.23Å; K402-A406 WeakPolarHBondContact O-CB 3.47Å; K402-A406 PolarHBondContact O-N 3.03Å |
| 403 | A | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F399 V400 R401 A406 I407 | F399-A403 WeakPolarHBondContact O-CB 3.27Å; F399-A403 PolarHBondContact O-N 3.39Å; V400-A403 WeakPolarHBondContact O-CB 3.42Å; V400-A403 PolarHBondContact O-N 2.76Å; V400-A403 VanDerWaalsContact O-N 3.11Å; R401-A403 VanDerWaalsContact C-N 3.3Å; R401-A403 PolarHBondContact O-N 2.96Å; A403-A406 WeakPolarHBondContact O-CB 3.5Å; A403-A406 PolarHBondContact O-N 3.47Å; A403-I407 WeakPolarHBondContact O-CG1 2.75Å; A403-I407 PolarHBondContact O-N 2.82Å |
| 404 | V | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | A392 V400 R401 A406 I407 G408 L425 L428 V436 E439 A440 V443 | A392-V404 HydrophobicContact CB-CG2 4.19Å; V400-V404 HydrophobicContact CG1-CG2 4.38Å; V400-V404 WeakPolarHBondContact O-CG2 3.34Å; V400-V404 PolarHBondContact O-N 2.83Å; R401-V404 PolarHBondContact O-N 3.16Å; V404-A406 VanDerWaalsContact C-N 3.29Å; V404-A406 PolarHBondContact O-N 2.92Å; V404-I407 WeakPolarHBondContact O-CB 3.22Å; V404-I407 PolarHBondContact O-N 3.33Å; V404-I407 VanDerWaalsContact O-N 3.09Å; V404-G408 PolarHBondContact O-N 2.83Å; V404-L425 HydrophobicContact CG1-CD2 3.85Å; V404-L428 HydrophobicContact CG2-CD1 4.24Å; V404-V436 HydrophobicContact CG2-CG1 4.2Å; V404-E439 HydrophobicContact CB-CB 4.33Å; V404-E439 HydrophobicContact CB-CG 3.95Å; V404-E439 HydrophobicContact CG1-CB 4.08Å; V404-E439 HydrophobicContact CG1-CG 3.92Å; V404-A440 HydrophobicContact CG1-CB 4.13Å; V404-V443 HydrophobicContact CG1-CG2 4.34Å |
| 405 | R | 93.9 | Very high | 92.2 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 175.7 | -152.7 | 168.1 | -166.6 | 143.5 | -2.8 | 112.5 | R401 K402 G408 R409 E439 V443 E473 | R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 PolarHBondContact O-N 2.76Å; K402-R405 PolarHBondContact O-N 3.19Å; R405-G408 WeakPolarHBondContact O-CA 3.31Å; R405-G408 PolarHBondContact O-N 3Å; R405-G408 VanDerWaalsContact O-N 3.17Å; R405-R409 WeakPolarHBondContact O-CG 3.43Å; R405-R409 PolarHBondContact O-N 2.77Å; R405-E439 WeakPolarHBondContact CD-OE1 3.46Å; R405-E439 IonicContact CZ-OE1 3.34Å; R405-E439 IonicContact NE-OE1 3.74Å; R405-E439 IonicContact NH1-OE1 3.56Å; R405-E439 PolarHBondContact NH1-OE1 3.4Å; R405-V443 HydrophobicContact CB-CG2 4.37Å; R405-V443 HydrophobicContact CG-CG2 4.25Å; R405-E473 IonicContact NH2-OE1 3.54Å |
| 406 | A | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L369 I373 L388 K402 A403 V404 G408 R409 C410 | L369-A406 HydrophobicContact CD1-CB 3.73Å; L369-A406 HydrophobicContact CD2-CB 4.21Å; L369-A406 HydrophobicContact CG-CB 4.1Å; I373-A406 HydrophobicContact CD1-CB 3.69Å; I373-A406 HydrophobicContact CG1-CB 3.85Å; L388-A406 HydrophobicContact CD1-CB 4.18Å; L388-A406 HydrophobicContact CD2-CB 3.81Å; K402-A406 VanDerWaalsContact O-CB 3.23Å; K402-A406 WeakPolarHBondContact O-CB 3.47Å; K402-A406 PolarHBondContact O-N 3.03Å; A403-A406 WeakPolarHBondContact O-CB 3.5Å; A403-A406 PolarHBondContact O-N 3.47Å; V404-A406 VanDerWaalsContact C-N 3.29Å; V404-A406 PolarHBondContact O-N 2.92Å; A406-G408 VanDerWaalsContact C-N 3.28Å; A406-G408 PolarHBondContact O-N 2.64Å; A406-R409 PolarHBondContact O-N 3.5Å; A406-C410 PolarHBondContact O-N 2.95Å; A406-C410 PolarHBondContact O-SG 3.2Å |
| 407 | I | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 172.3 | -63.3 | 169.7 | 0 | 0 | 0 | 110.4 | L385 L388 A403 V404 C410 A411 C421 L425 L428 | L385-I407 HydrophobicContact CD1-CG1 4.27Å; L385-I407 HydrophobicContact CD1-CG2 3.96Å; L388-I407 HydrophobicContact CB-CD1 4.16Å; L388-I407 HydrophobicContact CB-CG1 3.65Å; L388-I407 HydrophobicContact CD1-CG1 3.96Å; L388-I407 HydrophobicContact CG-CG1 4.4Å; A403-I407 WeakPolarHBondContact O-CG1 2.75Å; A403-I407 PolarHBondContact O-N 2.82Å; V404-I407 WeakPolarHBondContact O-CB 3.22Å; V404-I407 PolarHBondContact O-N 3.33Å; V404-I407 VanDerWaalsContact O-N 3.09Å; I407-C410 VanDerWaalsContact O-CB 3.28Å; I407-C410 WeakPolarHBondContact O-CB 3.31Å; I407-C410 PolarHBondContact O-N 3.42Å; I407-A411 PolarHBondContact O-N 2.97Å; I407-A411 VanDerWaalsContact O-N 3.15Å; I407-C421 HydrophobicContact CG2-CB 3.81Å; I407-L425 HydrophobicContact CB-CD2 4.3Å; I407-L425 HydrophobicContact CG2-CD1 4.36Å; I407-L425 HydrophobicContact CG2-CD2 4.04Å; I407-L425 HydrophobicContact CG2-CG 3.91Å; I407-L428 HydrophobicContact CD1-CD1 3.74Å |
| 408 | G | 92 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -50.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V404 R405 A406 C410 A411 I412 | V404-G408 PolarHBondContact O-N 2.83Å; R405-G408 WeakPolarHBondContact O-CA 3.31Å; R405-G408 PolarHBondContact O-N 3Å; R405-G408 VanDerWaalsContact O-N 3.17Å; A406-G408 VanDerWaalsContact C-N 3.28Å; A406-G408 PolarHBondContact O-N 2.64Å; G408-C410 VanDerWaalsContact C-N 3.26Å; G408-C410 PolarHBondContact O-N 3.47Å; G408-A411 WeakPolarHBondContact O-CB 3.31Å; G408-A411 PolarHBondContact O-N 2.91Å; G408-I412 WeakPolarHBondContact O-CG1 3.4Å; G408-I412 PolarHBondContact O-N 2.8Å |
| 409 | R | 92.1 | Very high | 92.4 | Very high | 82 Ų | 82 | 34.8 Ų | 34.8 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.9 | -36.5 | 177.4 | -68.4 | 175.8 | 177.4 | -153.5 | -14.1 | 112.2 | I373 R405 A406 I412 K413 D583 | I373-R409 HydrophobicContact CG2-CB 3.92Å; R405-R409 WeakPolarHBondContact O-CG 3.43Å; R405-R409 PolarHBondContact O-N 2.77Å; A406-R409 PolarHBondContact O-N 3.5Å; R409-I412 PolarHBondContact O-N 3.4Å; R409-K413 VanDerWaalsContact O-CB 3.26Å; R409-K413 WeakPolarHBondContact O-CB 3.32Å; R409-K413 PolarHBondContact O-N 2.86Å; R409-D583 IonicContact CZ-OD2 3.54Å; R409-D583 IonicContact NH1-OD2 2.98Å; R409-D583 PolarHBondContact NH1-OD2 2.94Å; R409-D583 IonicContact NH2-OD1 2.75Å; R409-D583 IonicContact NH2-OD2 3.63Å; R409-D583 PolarHBondContact NH2-OD2 3.48Å |
| 410 | C | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 172.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | I376 I381 L388 A406 I407 G408 I412 K413 I414 | I376-C410 HydrophobicContact CD1-CB 4.43Å; I376-C410 WeakPolarHBondContact CD1-SG 3.48Å; I381-C410 HydrophobicContact CD1-CB 3.81Å; L388-C410 WeakPolarHBondContact CD1-SG 3.24Å; A406-C410 PolarHBondContact O-N 2.95Å; A406-C410 PolarHBondContact O-SG 3.2Å; I407-C410 VanDerWaalsContact O-CB 3.28Å; I407-C410 WeakPolarHBondContact O-CB 3.31Å; I407-C410 PolarHBondContact O-N 3.42Å; G408-C410 VanDerWaalsContact C-N 3.26Å; G408-C410 PolarHBondContact O-N 3.47Å; C410-I412 VanDerWaalsContact C-N 3.34Å; C410-I412 PolarHBondContact O-N 2.85Å; C410-K413 PolarHBondContact O-N 2.89Å; C410-I414 PolarHBondContact O-N 3.35Å |
| 411 | A | 91.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I407 G408 A418 C421 I447 Y451 | I407-A411 PolarHBondContact O-N 2.97Å; I407-A411 VanDerWaalsContact O-N 3.15Å; G408-A411 WeakPolarHBondContact O-CB 3.31Å; G408-A411 PolarHBondContact O-N 2.91Å; A411-A418 HydrophobicContact CB-CB 4.32Å; A411-C421 HydrophobicContact CB-CB 3.64Å; A411-I447 HydrophobicContact CB-CD1 3.89Å; A411-I447 HydrophobicContact CB-CG1 4.1Å; A411-Y451 WeakPolarHBondContact O-CE2 3.37Å; A411-Y451 PolarHBondContact O-OH 3.36Å |
| 412 | I | 88.9 | Confident | 92.4 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.8 | -38.3 | 179.6 | -64.7 | 166.7 | 0 | 0 | 0 | 110.9 | G408 R409 C410 D446 | G408-I412 WeakPolarHBondContact O-CG1 3.4Å; G408-I412 PolarHBondContact O-N 2.8Å; R409-I412 PolarHBondContact O-N 3.4Å; C410-I412 VanDerWaalsContact C-N 3.34Å; C410-I412 PolarHBondContact O-N 2.85Å; I412-D446 HydrophobicContact CD1-CB 4.19Å |
| 413 | K | 88.6 | Confident | 92.4 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.7 | -38.2 | -177.2 | -177 | 171 | -179.2 | 158.9 | 0 | 113.8 | I373 R374 I376 R409 C410 E580 | I373-K413 PolarHBondContact O-NZ 3.49Å; R374-K413 PolarHBondContact O-NZ 2.85Å; I376-K413 HydrophobicContact CB-CD 4.49Å; I376-K413 HydrophobicContact CG2-CD 4.33Å; I376-K413 WeakPolarHBondContact O-CE 3.38Å; R409-K413 VanDerWaalsContact O-CB 3.26Å; R409-K413 WeakPolarHBondContact O-CB 3.32Å; R409-K413 PolarHBondContact O-N 2.86Å; C410-K413 PolarHBondContact O-N 2.89Å; K413-E580 VanDerWaalsContact CD-OE1 3.24Å; K413-E580 WeakPolarHBondContact CD-OE1 3.24Å; K413-E580 WeakPolarHBondContact CE-OE1 3.48Å; K413-E580 IonicContact NZ-OE1 3.01Å; K413-E580 PolarHBondContact NZ-OE1 3.46Å; K413-E580 VanDerWaalsContact NZ-OE1 3.13Å |
| 414 | I | 89.6 | Confident | 92.3 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | trans | -122.6 | 102.1 | -176.6 | -62.5 | -173.1 | 0 | 0 | 0 | 110 | I376 N377 I381 C410 S416 A417 A418 | I376-I414 HydrophobicContact CG2-CD1 3.25Å; I376-I414 HydrophobicContact CG2-CG1 3.97Å; N377-I414 WeakPolarHBondContact O-CD1 3.47Å; I381-I414 HydrophobicContact CB-CD1 3.84Å; I381-I414 HydrophobicContact CD1-CD1 4.43Å; I381-I414 HydrophobicContact CG1-CD1 4.07Å; I381-I414 HydrophobicContact CG2-CD1 4.32Å; C410-I414 PolarHBondContact O-N 3.35Å; I414-S416 VanDerWaalsContact C-N 3.34Å; I414-S416 WeakPolarHBondContact CG2-OG 3.27Å; I414-S416 PolarHBondContact O-N 3.1Å; I414-A417 HydrophobicContact CB-CB 4.07Å; I414-A417 HydrophobicContact CG2-CB 3.71Å; I414-A417 PolarHBondContact O-N 2.83Å; I414-A418 PolarHBondContact O-N 2.8Å | ||
| 415 | E | 89.3 | Confident | 92.3 | Very high | 116 Ų | 116 | 36.3 Ų | 36.3 | 54% | 0.542 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 179.8 | -177.4 | 171.1 | -165 | 0 | 0 | 112.9 | A417 A418 Y451 K454 | E415-A417 PolarHBondContact O-N 2.89Å; E415-A418 VanDerWaalsContact O-CB 3.29Å; E415-A418 WeakPolarHBondContact O-CB 3.14Å; E415-A418 PolarHBondContact O-N 2.98Å; E415-Y451 VanDerWaalsContact CA-OH 3.32Å; E415-Y451 WeakPolarHBondContact CA-OH 2.97Å; E415-Y451 HydrophobicContact CB-CE1 4.3Å; E415-Y451 HydrophobicContact CG-CE1 3.81Å; E415-K454 IonicContact OE1-NZ 2.7Å; E415-K454 PolarHBondContact OE1-NZ 3.4Å |
| 416 | S | 89.9 | Confident | 92.3 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.6 | -10.2 | 177.1 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | Q378 I414 | Q378-S416 VanDerWaalsContact CD-OG 3.26Å; Q378-S416 PolarHBondContact NE2-OG 2.86Å; Q378-S416 PolarHBondContact OE1-OG 2.87Å; I414-S416 VanDerWaalsContact C-N 3.34Å; I414-S416 WeakPolarHBondContact CG2-OG 3.27Å; I414-S416 PolarHBondContact O-N 3.1Å |
| 417 | A | 90.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -107.7 | -7.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I381 I414 E415 E419 R420 C421 | I381-A417 HydrophobicContact CD1-CB 4.22Å; I381-A417 HydrophobicContact CG1-CB 3.4Å; I381-A417 VanDerWaalsContact CG1-CB 3.4Å; I381-A417 HydrophobicContact CG2-CB 4.37Å; I414-A417 HydrophobicContact CB-CB 4.07Å; I414-A417 HydrophobicContact CG2-CB 3.71Å; I414-A417 PolarHBondContact O-N 2.83Å; E415-A417 PolarHBondContact O-N 2.89Å; A417-E419 PolarHBondContact O-N 3.48Å; A417-R420 PolarHBondContact O-N 3.41Å; A417-R420 VanDerWaalsContact O-N 3.09Å; A417-C421 PolarHBondContact O-N 2.75Å; A417-C421 PolarHBondContact O-SG 3.12Å |
| 418 | A | 91.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.2 | -45.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A411 I414 E415 R420 C421 V422 Y451 Y455 | A411-A418 HydrophobicContact CB-CB 4.32Å; I414-A418 PolarHBondContact O-N 2.8Å; E415-A418 VanDerWaalsContact O-CB 3.29Å; E415-A418 WeakPolarHBondContact O-CB 3.14Å; E415-A418 PolarHBondContact O-N 2.98Å; A418-R420 VanDerWaalsContact C-N 3.33Å; A418-R420 PolarHBondContact O-N 2.94Å; A418-C421 PolarHBondContact O-N 2.96Å; A418-V422 WeakPolarHBondContact O-CB 2.89Å; A418-V422 WeakPolarHBondContact O-CG2 3.4Å; A418-V422 PolarHBondContact O-N 3.19Å; A418-Y451 HydrophobicContact CB-CD2 4.36Å; A418-Y451 HydrophobicContact CB-CE2 3.74Å; A418-Y455 HydrophobicContact CB-CE2 4.35Å; A418-Y455 VanDerWaalsContact CB-OH 3.23Å; A418-Y455 WeakPolarHBondContact CB-OH 3.06Å |
| 419 | E | 92.4 | Very high | 92.1 | Very high | 145 Ų | 145 | 36.8 Ų | 36.8 | 68% | 0.678 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -56.9 | -43 | 175.3 | -76.5 | 176.3 | -170.4 | 0 | 0 | 113.1 | A417 S423 Y455 | A417-E419 PolarHBondContact O-N 3.48Å; E419-S423 WeakPolarHBondContact O-CB 3.27Å; E419-S423 PolarHBondContact O-N 3.25Å; E419-Y455 HydrophobicContact CG-CE1 3.81Å; E419-Y455 PolarHBondContact N-OH 3.26Å |
| 420 | R | 94 | Very high | 92 | Very high | 113 Ų | 113 | 38.5 Ų | 38.5 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 179.5 | -69.4 | -177.7 | -76 | 160 | -3.7 | 111.9 | L385 A417 A418 S423 A424 | L385-R420 HydrophobicContact CD2-CB 3.6Å; A417-R420 PolarHBondContact O-N 3.41Å; A417-R420 VanDerWaalsContact O-N 3.09Å; A418-R420 VanDerWaalsContact C-N 3.33Å; A418-R420 PolarHBondContact O-N 2.94Å; R420-S423 PolarHBondContact O-N 3.26Å; R420-A424 WeakPolarHBondContact O-CB 3.31Å; R420-A424 PolarHBondContact O-N 3.49Å |
| 421 | C | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 176.1 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | I407 A411 A417 A418 A424 L425 | I407-C421 HydrophobicContact CG2-CB 3.81Å; A411-C421 HydrophobicContact CB-CB 3.64Å; A417-C421 PolarHBondContact O-N 2.75Å; A417-C421 PolarHBondContact O-SG 3.12Å; A418-C421 PolarHBondContact O-N 2.96Å; C421-A424 WeakPolarHBondContact O-CB 3.26Å; C421-A424 PolarHBondContact O-N 3.47Å; C421-L425 WeakPolarHBondContact O-CG 3.22Å; C421-L425 PolarHBondContact O-N 3.07Å |
| 422 | V | 94.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -51.3 | 172.3 | 156.2 | 0 | 0 | 0 | 0 | 110.7 | A418 A424 L425 I426 I447 Y455 I458 | A418-V422 WeakPolarHBondContact O-CB 2.89Å; A418-V422 WeakPolarHBondContact O-CG2 3.4Å; A418-V422 PolarHBondContact O-N 3.19Å; V422-A424 VanDerWaalsContact C-N 3.25Å; V422-A424 PolarHBondContact O-N 3.27Å; V422-L425 PolarHBondContact O-N 3.16Å; V422-L425 VanDerWaalsContact O-N 3.09Å; V422-I426 HydrophobicContact CG1-CD1 4.03Å; V422-I426 WeakPolarHBondContact O-CG1 3.46Å; V422-I426 PolarHBondContact O-N 3.28Å; V422-I447 HydrophobicContact CG2-CD1 4.31Å; V422-I447 HydrophobicContact CG2-CG2 4.08Å; V422-Y455 HydrophobicContact CB-CD1 4.48Å; V422-Y455 HydrophobicContact CG1-CD1 4.18Å; V422-Y455 HydrophobicContact CG2-CD1 4.1Å; V422-Y455 HydrophobicContact CG2-CD2 4.07Å; V422-Y455 HydrophobicContact CG2-CE1 4.27Å; V422-Y455 HydrophobicContact CG2-CE2 4.22Å; V422-Y455 HydrophobicContact CG2-CG 4.01Å; V422-I458 HydrophobicContact CB-CD1 4.33Å; V422-I458 HydrophobicContact CG1-CD1 3.35Å; V422-I458 HydrophobicContact CG1-CG1 4.02Å; V422-I458 HydrophobicContact CG2-CD1 4.17Å |
| 423 | S | 93.8 | Very high | 91.8 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | E419 R420 I426 D427 | E419-S423 WeakPolarHBondContact O-CB 3.27Å; E419-S423 PolarHBondContact O-N 3.25Å; R420-S423 PolarHBondContact O-N 3.26Å; S423-I426 PolarHBondContact O-N 3.17Å; S423-D427 VanDerWaalsContact O-CG 3.3Å; S423-D427 PolarHBondContact O-N 3.24Å |
| 424 | A | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L385 K389 R420 C421 V422 D427 L428 | L385-A424 HydrophobicContact CD1-CB 4.16Å; K389-A424 HydrophobicContact CD-CB 3.74Å; K389-A424 HydrophobicContact CG-CB 3.83Å; R420-A424 WeakPolarHBondContact O-CB 3.31Å; R420-A424 PolarHBondContact O-N 3.49Å; C421-A424 WeakPolarHBondContact O-CB 3.26Å; C421-A424 PolarHBondContact O-N 3.47Å; V422-A424 VanDerWaalsContact C-N 3.25Å; V422-A424 PolarHBondContact O-N 3.27Å; A424-D427 PolarHBondContact O-N 3.1Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.37Å; A424-L428 PolarHBondContact O-N 3.09Å; A424-L428 VanDerWaalsContact O-N 3.08Å |
| 425 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.3 | -67.9 | 167.7 | 0 | 0 | 0 | 111.8 | V404 I407 C421 V422 L428 I429 A440 V443 I444 I447 | V404-L425 HydrophobicContact CG1-CD2 3.85Å; I407-L425 HydrophobicContact CB-CD2 4.3Å; I407-L425 HydrophobicContact CG2-CD1 4.36Å; I407-L425 HydrophobicContact CG2-CD2 4.04Å; I407-L425 HydrophobicContact CG2-CG 3.91Å; C421-L425 WeakPolarHBondContact O-CG 3.22Å; C421-L425 PolarHBondContact O-N 3.07Å; V422-L425 PolarHBondContact O-N 3.16Å; V422-L425 VanDerWaalsContact O-N 3.09Å; L425-L428 PolarHBondContact O-N 2.67Å; L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.89Å; L425-A440 HydrophobicContact CD2-CB 4.23Å; L425-V443 HydrophobicContact CD1-CG1 3.62Å; L425-V443 HydrophobicContact CD2-CG1 4.26Å; L425-I444 HydrophobicContact CB-CD1 4.43Å; L425-I444 HydrophobicContact CD1-CG1 4.05Å; L425-I447 HydrophobicContact CD1-CD1 3.57Å |
| 426 | I | 93.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 173.9 | -65.2 | 167.5 | 0 | 0 | 0 | 110.3 | V422 S423 L428 I429 Q430 I458 I461 | V422-I426 HydrophobicContact CG1-CD1 4.03Å; V422-I426 WeakPolarHBondContact O-CG1 3.46Å; V422-I426 PolarHBondContact O-N 3.28Å; S423-I426 PolarHBondContact O-N 3.17Å; I426-L428 PolarHBondContact O-N 2.92Å; I426-I429 PolarHBondContact O-N 3.32Å; I426-I429 VanDerWaalsContact O-N 3.16Å; I426-Q430 WeakPolarHBondContact O-CG 3.37Å; I426-Q430 PolarHBondContact O-N 3.35Å; I426-I458 HydrophobicContact CD1-CG1 3.94Å; I426-I458 HydrophobicContact CG1-CG1 4.24Å; I426-I458 HydrophobicContact CG1-CG2 4.32Å; I426-I461 HydrophobicContact CG1-CD1 4.44Å; I426-I461 HydrophobicContact CG2-CD1 3.64Å |
| 427 | D | 93.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.2 | -40.1 | 177.3 | -64.7 | -16 | 0 | 0 | 0 | 111.1 | K389 S423 A424 Q430 T431 | K389-D427 IonicContact NZ-OD2 3.69Å; K389-D427 PolarHBondContact NZ-OD2 3.4Å; S423-D427 VanDerWaalsContact O-CG 3.3Å; S423-D427 PolarHBondContact O-N 3.24Å; A424-D427 PolarHBondContact O-N 3.1Å; D427-Q430 PolarHBondContact O-N 3.33Å; D427-T431 WeakPolarHBondContact O-CG2 3.04Å; D427-T431 PolarHBondContact O-N 3.43Å |
| 428 | L | 92.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 178.6 | -70.1 | 174.8 | 0 | 0 | 0 | 112.3 | A392 V404 I407 A424 L425 I426 Q430 T431 V436 | A392-L428 HydrophobicContact CB-CD1 3.71Å; A392-L428 HydrophobicContact CB-CD2 3.57Å; A392-L428 HydrophobicContact CB-CG 4.31Å; V404-L428 HydrophobicContact CG2-CD1 4.24Å; I407-L428 HydrophobicContact CD1-CD1 3.74Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.37Å; A424-L428 PolarHBondContact O-N 3.09Å; A424-L428 VanDerWaalsContact O-N 3.08Å; L425-L428 PolarHBondContact O-N 2.67Å; I426-L428 PolarHBondContact O-N 2.92Å; L428-Q430 VanDerWaalsContact C-N 3.28Å; L428-Q430 PolarHBondContact O-N 3.3Å; L428-T431 WeakPolarHBondContact O-CB 3.29Å; L428-T431 WeakPolarHBondContact O-CG2 3.26Å; L428-T431 PolarHBondContact O-N 2.85Å; L428-T431 VanDerWaalsContact O-N 3.15Å; L428-T431 PolarHBondContact O-OG1 2.87Å; L428-V436 HydrophobicContact CB-CG1 3.85Å |
| 429 | I | 92.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.5 | -70.4 | 161.7 | 0 | 0 | 0 | 110.6 | L425 I426 T431 K432 V437 A440 I444 I461 L462 | L425-I429 VanDerWaalsContact O-CG1 3.3Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.89Å; I426-I429 PolarHBondContact O-N 3.32Å; I426-I429 VanDerWaalsContact O-N 3.16Å; I429-T431 PolarHBondContact O-N 2.95Å; I429-T431 VanDerWaalsContact O-N 3.13Å; I429-K432 PolarHBondContact O-N 3.26Å; I429-V437 HydrophobicContact CG2-CG1 4.36Å; I429-V437 HydrophobicContact CG2-CG2 4.42Å; I429-A440 HydrophobicContact CD1-CB 3.96Å; I429-A440 HydrophobicContact CG1-CB 3.7Å; I429-I444 HydrophobicContact CD1-CD1 3.49Å; I429-I444 VanDerWaalsContact CD1-CD1 3.49Å; I429-I461 HydrophobicContact CG2-CG2 4.08Å; I429-L462 HydrophobicContact CD1-CD2 3.75Å |
| 430 | Q | 90.8 | Very high | 92.9 | Very high | 118 Ų | 118 | 39.9 Ų | 39.9 | 55% | 0.551 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.3 | 178.4 | -71.6 | 178.6 | -9.7 | 0 | 0 | 113.9 | I426 D427 L428 K432 | I426-Q430 WeakPolarHBondContact O-CG 3.37Å; I426-Q430 PolarHBondContact O-N 3.35Å; D427-Q430 PolarHBondContact O-N 3.33Å; L428-Q430 VanDerWaalsContact C-N 3.28Å; L428-Q430 PolarHBondContact O-N 3.3Å; Q430-K432 PolarHBondContact O-N 3.04Å |
| 431 | T | 89.9 | Confident | 92.9 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.6 | 171.1 | 71 | 0 | 0 | 0 | 0 | 113.1 | D427 L428 I429 V433 | D427-T431 WeakPolarHBondContact O-CG2 3.04Å; D427-T431 PolarHBondContact O-N 3.43Å; L428-T431 WeakPolarHBondContact O-CB 3.29Å; L428-T431 WeakPolarHBondContact O-CG2 3.26Å; L428-T431 PolarHBondContact O-N 2.85Å; L428-T431 VanDerWaalsContact O-N 3.15Å; L428-T431 PolarHBondContact O-OG1 2.87Å; I429-T431 PolarHBondContact O-N 2.95Å; I429-T431 VanDerWaalsContact O-N 3.13Å; T431-V433 PolarHBondContact O-N 3.24Å |
| 432 | K | 87.9 | Confident | 92.9 | Very high | 145 Ų | 145 | 34.7 Ų | 34.7 | 63% | 0.63 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 27.7 | -179.4 | -57.1 | -168.5 | 174.6 | -164.7 | 0 | 114.3 | I429 Q430 | I429-K432 PolarHBondContact O-N 3.26Å; Q430-K432 PolarHBondContact O-N 3.04Å |
| 433 | V | 90.4 | Very high | 92.9 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 32% | 0.315 | 18% | 0.178 | S | C | . | . | trans | -84.2 | 113.9 | 172 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | T431 Y435 V436 V437 | T431-V433 PolarHBondContact O-N 3.24Å; V433-Y435 HydrophobicContact CG1-CD1 3.78Å; V433-Y435 HydrophobicContact CG1-CD2 4.45Å; V433-Y435 HydrophobicContact CG1-CE1 3.3Å; V433-Y435 HydrophobicContact CG1-CE2 4.07Å; V433-Y435 HydrophobicContact CG1-CG 4.32Å; V433-Y435 VanDerWaalsContact CG1-CZ 3.46Å; V433-Y435 PolarHBondContact O-N 3.28Å; V433-V436 HydrophobicContact CB-CB 4.12Å; V433-V436 HydrophobicContact CB-CG2 3.95Å; V433-V436 HydrophobicContact CG1-CB 4.35Å; V433-V436 HydrophobicContact CG1-CG2 3.78Å; V433-V436 WeakPolarHBondContact O-CB 3.29Å; V433-V436 PolarHBondContact O-N 3.07Å; V433-V437 WeakPolarHBondContact O-CG2 3.42Å; V433-V437 PolarHBondContact O-N 2.98Å | ||
| 434 | N | 90.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 31.8 Ų | 31.8 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -46.9 | -56.6 | -170.4 | -67.1 | -15.9 | 0 | 0 | 0 | 114.1 | V436 V437 Q438 | N434-V436 VanDerWaalsContact C-N 3.27Å; N434-V436 PolarHBondContact O-N 3.37Å; N434-V437 PolarHBondContact O-N 2.75Å; N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 VanDerWaalsContact O-CG 3.28Å; N434-Q438 WeakPolarHBondContact O-CG 3.06Å; N434-Q438 PolarHBondContact O-N 3.28Å |
| 435 | Y | 91.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 24% | 0.239 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -25.9 | -177.2 | 61.1 | -95.3 | 0 | 0 | 0 | 113.6 | V397 V400 V433 E439 | V397-Y435 HydrophobicContact CG1-CD2 4.02Å; V397-Y435 HydrophobicContact CG1-CG 4.03Å; V397-Y435 HydrophobicContact CG2-CD1 4.45Å; V397-Y435 HydrophobicContact CG2-CE1 4.31Å; V400-Y435 HydrophobicContact CB-CE2 4.06Å; V400-Y435 HydrophobicContact CG1-CD2 4.25Å; V400-Y435 HydrophobicContact CG1-CE2 3.71Å; V433-Y435 HydrophobicContact CG1-CD1 3.78Å; V433-Y435 HydrophobicContact CG1-CD2 4.45Å; V433-Y435 HydrophobicContact CG1-CE1 3.3Å; V433-Y435 HydrophobicContact CG1-CE2 4.07Å; V433-Y435 HydrophobicContact CG1-CG 4.32Å; V433-Y435 VanDerWaalsContact CG1-CZ 3.46Å; V433-Y435 PolarHBondContact O-N 3.28Å; Y435-E439 PolarHBondContact O-N 3.41Å |
| 436 | V | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75 | -45.1 | 175.5 | 178 | 0 | 0 | 0 | 0 | 110.2 | V400 V404 L428 V433 N434 Q438 E439 A440 | V400-V436 HydrophobicContact CG1-CG2 3.73Å; V404-V436 HydrophobicContact CG2-CG1 4.2Å; L428-V436 HydrophobicContact CB-CG1 3.85Å; V433-V436 HydrophobicContact CB-CB 4.12Å; V433-V436 HydrophobicContact CB-CG2 3.95Å; V433-V436 HydrophobicContact CG1-CB 4.35Å; V433-V436 HydrophobicContact CG1-CG2 3.78Å; V433-V436 WeakPolarHBondContact O-CB 3.29Å; V433-V436 PolarHBondContact O-N 3.07Å; N434-V436 VanDerWaalsContact C-N 3.27Å; N434-V436 PolarHBondContact O-N 3.37Å; V436-Q438 VanDerWaalsContact C-N 3.31Å; V436-Q438 PolarHBondContact O-N 3.11Å; V436-E439 PolarHBondContact O-N 3.44Å; V436-A440 WeakPolarHBondContact O-CB 3.48Å; V436-A440 PolarHBondContact O-N 3.37Å |
| 437 | V | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 176.9 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | I429 V433 N434 A440 V441 N465 T468 L469 | I429-V437 HydrophobicContact CG2-CG1 4.36Å; I429-V437 HydrophobicContact CG2-CG2 4.42Å; V433-V437 WeakPolarHBondContact O-CG2 3.42Å; V433-V437 PolarHBondContact O-N 2.98Å; N434-V437 PolarHBondContact O-N 2.75Å; V437-A440 PolarHBondContact O-N 2.86Å; V437-V441 HydrophobicContact CG1-CG2 4.43Å; V437-V441 WeakPolarHBondContact O-CG2 3.26Å; V437-V441 PolarHBondContact O-N 2.82Å; V437-N465 HydrophobicContact CG1-CB 4.21Å; V437-T468 WeakPolarHBondContact CG1-OG1 3.13Å; V437-L469 HydrophobicContact CG1-CD2 4.41Å |
| 438 | Q | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | -179.4 | -73.8 | -177 | 57.5 | 0 | 0 | 113.1 | N434 V436 A440 V441 V442 T468 L469 D470 A474 | N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 VanDerWaalsContact O-CG 3.28Å; N434-Q438 WeakPolarHBondContact O-CG 3.06Å; N434-Q438 PolarHBondContact O-N 3.28Å; V436-Q438 VanDerWaalsContact C-N 3.31Å; V436-Q438 PolarHBondContact O-N 3.11Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.48Å; Q438-V441 WeakPolarHBondContact O-CB 3.44Å; Q438-V441 PolarHBondContact O-N 3.46Å; Q438-V442 PolarHBondContact O-N 3.03Å; Q438-T468 PolarHBondContact NE2-O 3.07Å; Q438-L469 HydrophobicContact CG-CD2 3.65Å; Q438-D470 PolarHBondContact NE2-OD1 3.02Å; Q438-D470 PolarHBondContact OE1-OD1 3.45Å; Q438-A474 HydrophobicContact CB-CB 3.65Å; Q438-A474 HydrophobicContact CG-CB 3.87Å |
| 439 | E | 95.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.2 | -168 | 72.4 | -149.2 | 0 | 0 | 111.3 | R401 V404 R405 Y435 V436 V441 V442 V443 | R401-E439 HydrophobicContact CB-CG 4.12Å; R401-E439 HydrophobicContact CG-CB 4.29Å; R401-E439 HydrophobicContact CG-CG 4.35Å; R401-E439 WeakPolarHBondContact O-CG 3.46Å; V404-E439 HydrophobicContact CB-CB 4.33Å; V404-E439 HydrophobicContact CB-CG 3.95Å; V404-E439 HydrophobicContact CG1-CB 4.08Å; V404-E439 HydrophobicContact CG1-CG 3.92Å; R405-E439 WeakPolarHBondContact CD-OE1 3.46Å; R405-E439 IonicContact CZ-OE1 3.34Å; R405-E439 IonicContact NE-OE1 3.74Å; R405-E439 IonicContact NH1-OE1 3.56Å; R405-E439 PolarHBondContact NH1-OE1 3.4Å; Y435-E439 PolarHBondContact O-N 3.41Å; V436-E439 PolarHBondContact O-N 3.44Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.25Å; E439-V442 PolarHBondContact O-N 3.46Å; E439-V443 WeakPolarHBondContact O-CG2 3.48Å; E439-V443 PolarHBondContact O-N 3.27Å |
| 440 | A | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V404 L425 I429 V436 V437 Q438 V443 I444 | V404-A440 HydrophobicContact CG1-CB 4.13Å; L425-A440 HydrophobicContact CD2-CB 4.23Å; I429-A440 HydrophobicContact CD1-CB 3.96Å; I429-A440 HydrophobicContact CG1-CB 3.7Å; V436-A440 WeakPolarHBondContact O-CB 3.48Å; V436-A440 PolarHBondContact O-N 3.37Å; V437-A440 PolarHBondContact O-N 2.86Å; Q438-A440 VanDerWaalsContact C-N 3.31Å; Q438-A440 PolarHBondContact O-N 3.48Å; A440-V443 PolarHBondContact O-N 3.46Å; A440-I444 WeakPolarHBondContact O-CB 3.39Å; A440-I444 WeakPolarHBondContact O-CD1 3.44Å; A440-I444 VanDerWaalsContact O-CG1 3.23Å; A440-I444 WeakPolarHBondContact O-CG1 3.5Å; A440-I444 PolarHBondContact O-N 3.29Å |
| 441 | V | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | V437 Q438 E439 V443 I444 K445 L462 L469 M478 I481 | V437-V441 HydrophobicContact CG1-CG2 4.43Å; V437-V441 WeakPolarHBondContact O-CG2 3.26Å; V437-V441 PolarHBondContact O-N 2.82Å; Q438-V441 WeakPolarHBondContact O-CB 3.44Å; Q438-V441 PolarHBondContact O-N 3.46Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.25Å; V441-V443 VanDerWaalsContact C-N 3.28Å; V441-V443 PolarHBondContact O-N 3.36Å; V441-I444 PolarHBondContact O-N 3.47Å; V441-K445 PolarHBondContact O-N 3.44Å; V441-L462 HydrophobicContact CG2-CD2 3.79Å; V441-L469 HydrophobicContact CG2-CD2 4.06Å; V441-M478 HydrophobicContact CB-CE 4.5Å; V441-M478 HydrophobicContact CG1-CB 3.99Å; V441-M478 HydrophobicContact CG1-CE 3.9Å; V441-M478 HydrophobicContact CG1-SD 4.46Å; V441-M478 HydrophobicContact CG2-CE 3.7Å; V441-I481 HydrophobicContact CG1-CD1 4.49Å |
| 442 | V | 94.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | Q438 E439 K445 D446 E473 A474 | Q438-V442 PolarHBondContact O-N 3.03Å; E439-V442 PolarHBondContact O-N 3.46Å; V442-K445 WeakPolarHBondContact O-CB 3.43Å; V442-D446 PolarHBondContact O-N 2.94Å; V442-E473 HydrophobicContact CG1-CG 4.33Å; V442-E473 HydrophobicContact CG2-CB 4.5Å; V442-E473 HydrophobicContact CG2-CG 3.96Å; V442-A474 HydrophobicContact CG2-CB 4.28Å |
| 443 | V | 93.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.9 | 168.8 | 0 | 0 | 0 | 0 | 112.5 | V404 R405 L425 E439 A440 V441 K445 D446 I447 | V404-V443 HydrophobicContact CG1-CG2 4.34Å; R405-V443 HydrophobicContact CB-CG2 4.37Å; R405-V443 HydrophobicContact CG-CG2 4.25Å; L425-V443 HydrophobicContact CD1-CG1 3.62Å; L425-V443 HydrophobicContact CD2-CG1 4.26Å; E439-V443 WeakPolarHBondContact O-CG2 3.48Å; E439-V443 PolarHBondContact O-N 3.27Å; A440-V443 PolarHBondContact O-N 3.46Å; V441-V443 VanDerWaalsContact C-N 3.28Å; V441-V443 PolarHBondContact O-N 3.36Å; V443-K445 VanDerWaalsContact C-N 3.32Å; V443-K445 PolarHBondContact O-N 2.64Å; V443-D446 PolarHBondContact O-N 3.42Å; V443-D446 VanDerWaalsContact O-N 3.12Å; V443-I447 HydrophobicContact CG1-CD1 3.98Å; V443-I447 HydrophobicContact CG1-CG1 4.46Å; V443-I447 WeakPolarHBondContact O-CG1 3.18Å; V443-I447 PolarHBondContact O-N 3.39Å |
| 444 | I | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | -178.7 | -71 | 160.8 | 0 | 0 | 0 | 111.1 | L425 I429 A440 V441 D446 I447 F448 I458 L462 I481 | L425-I444 HydrophobicContact CB-CD1 4.43Å; L425-I444 HydrophobicContact CD1-CG1 4.05Å; I429-I444 HydrophobicContact CD1-CD1 3.49Å; I429-I444 VanDerWaalsContact CD1-CD1 3.49Å; A440-I444 WeakPolarHBondContact O-CB 3.39Å; A440-I444 WeakPolarHBondContact O-CD1 3.44Å; A440-I444 VanDerWaalsContact O-CG1 3.23Å; A440-I444 WeakPolarHBondContact O-CG1 3.5Å; A440-I444 PolarHBondContact O-N 3.29Å; V441-I444 PolarHBondContact O-N 3.47Å; I444-D446 PolarHBondContact O-N 3.3Å; I444-I447 PolarHBondContact O-N 3.09Å; I444-I447 VanDerWaalsContact O-N 3.13Å; I444-F448 HydrophobicContact CG2-CD1 4.3Å; I444-F448 HydrophobicContact CG2-CD2 4.07Å; I444-F448 HydrophobicContact CG2-CE1 3.98Å; I444-F448 HydrophobicContact CG2-CE2 3.74Å; I444-F448 HydrophobicContact CG2-CG 4.35Å; I444-F448 HydrophobicContact CG2-CZ 3.69Å; I444-F448 PolarHBondContact O-N 3.46Å; I444-I458 HydrophobicContact CD1-CG2 3.98Å; I444-L462 HydrophobicContact CD1-CD1 4.35Å; I444-L462 HydrophobicContact CD1-CD2 3.89Å; I444-L462 HydrophobicContact CG2-CD1 3.92Å; I444-I481 HydrophobicContact CG2-CD1 4.48Å |
| 445 | K | 91.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 16% | 0.161 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52.5 | -46.7 | 170.8 | 175.1 | -161.6 | 68 | -165.1 | 0 | 110.9 | V441 V442 V443 F448 R449 S477 W480 I481 | V441-K445 PolarHBondContact O-N 3.44Å; V442-K445 WeakPolarHBondContact O-CB 3.43Å; V443-K445 VanDerWaalsContact C-N 3.32Å; V443-K445 PolarHBondContact O-N 2.64Å; K445-F448 PolarHBondContact O-N 3.48Å; K445-R449 WeakPolarHBondContact O-CG 3.42Å; K445-R449 PolarHBondContact O-N 3.25Å; K445-S477 PolarHBondContact NZ-OG 2.96Å; K445-W480 HydrophobicContact CB-CE3 4.5Å; K445-W480 HydrophobicContact CD-CD2 4.44Å; K445-W480 HydrophobicContact CD-CE3 4.44Å; K445-W480 HydrophobicContact CG-CD2 4.03Å; K445-W480 HydrophobicContact CG-CE3 3.6Å; K445-W480 HydrophobicContact CG-CZ3 3.91Å; K445-I481 HydrophobicContact CB-CD1 4.19Å; K445-I481 HydrophobicContact CB-CG1 4.29Å |
| 446 | D | 90.6 | Very high | 90.2 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | -179.9 | -67.3 | -15.1 | 0 | 0 | 0 | 112 | I412 V442 V443 I444 R449 K450 I578 | I412-D446 HydrophobicContact CD1-CB 4.19Å; V442-D446 PolarHBondContact O-N 2.94Å; V443-D446 PolarHBondContact O-N 3.42Å; V443-D446 VanDerWaalsContact O-N 3.12Å; I444-D446 PolarHBondContact O-N 3.3Å; D446-R449 PolarHBondContact O-N 2.69Å; D446-K450 PolarHBondContact O-N 3.46Å; D446-K450 VanDerWaalsContact O-N 3.12Å; D446-I578 HydrophobicContact CB-CD1 3.66Å |
| 447 | I | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 173 | -66.3 | 172.8 | 0 | 0 | 0 | 111.1 | A411 V422 L425 V443 I444 R449 K450 Y451 Y455 | A411-I447 HydrophobicContact CB-CD1 3.89Å; A411-I447 HydrophobicContact CB-CG1 4.1Å; V422-I447 HydrophobicContact CG2-CD1 4.31Å; V422-I447 HydrophobicContact CG2-CG2 4.08Å; L425-I447 HydrophobicContact CD1-CD1 3.57Å; V443-I447 HydrophobicContact CG1-CD1 3.98Å; V443-I447 HydrophobicContact CG1-CG1 4.46Å; V443-I447 WeakPolarHBondContact O-CG1 3.18Å; V443-I447 PolarHBondContact O-N 3.39Å; I444-I447 PolarHBondContact O-N 3.09Å; I444-I447 VanDerWaalsContact O-N 3.13Å; I447-R449 VanDerWaalsContact C-N 3.28Å; I447-R449 PolarHBondContact O-N 2.85Å; I447-K450 PolarHBondContact O-N 3.27Å; I447-Y451 HydrophobicContact CG2-CD2 4.1Å; I447-Y451 PolarHBondContact O-N 3.33Å; I447-Y455 HydrophobicContact CG2-CD2 3.88Å; I447-Y455 HydrophobicContact CG2-CE2 4.13Å |
| 448 | F | 90.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -34.3 | 176 | -75.4 | -15 | 0 | 0 | 0 | 112.6 | I444 K445 K450 Y451 P452 Y455 I458 I459 W480 I481 Y485 | I444-F448 HydrophobicContact CG2-CD1 4.3Å; I444-F448 HydrophobicContact CG2-CD2 4.07Å; I444-F448 HydrophobicContact CG2-CE1 3.98Å; I444-F448 HydrophobicContact CG2-CE2 3.74Å; I444-F448 HydrophobicContact CG2-CG 4.35Å; I444-F448 HydrophobicContact CG2-CZ 3.69Å; I444-F448 PolarHBondContact O-N 3.46Å; K445-F448 PolarHBondContact O-N 3.48Å; F448-K450 VanDerWaalsContact C-N 3.3Å; F448-Y451 CarbonylContact O-C 3.49Å; F448-P452 WeakPolarHBondContact O-CA 3.38Å; F448-Y455 WeakPolarHBondContact CE1-O 3.4Å; F448-I458 HydrophobicContact CE1-CD1 4.33Å; F448-I458 HydrophobicContact CZ-CB 4.41Å; F448-I459 HydrophobicContact CE2-CD1 4.42Å; F448-I459 HydrophobicContact CE2-CG1 3.92Å; F448-I459 HydrophobicContact CZ-CD1 4.37Å; F448-I459 HydrophobicContact CZ-CG1 3.77Å; F448-W480 HydrophobicContact CB-CZ3 4.32Å; F448-I481 HydrophobicContact CD2-CD1 4.25Å; F448-I481 HydrophobicContact CD2-CG1 4.05Å; F448-I481 HydrophobicContact CD2-CG2 4.18Å; F448-I481 HydrophobicContact CE2-CD1 4.21Å; F448-I481 HydrophobicContact CE2-CG1 4.29Å; F448-I481 HydrophobicContact CE2-CG2 3.77Å; F448-Y485 HydrophobicContact CB-CE2 4Å; F448-Y485 HydrophobicContact CD2-CD2 4.16Å; F448-Y485 AromaticContact CD2-CE2 3.52Å; F448-Y485 HydrophobicContact CD2-CE2 3.52Å; F448-Y485 HydrophobicContact CE2-CD2 4.4Å; F448-Y485 HydrophobicContact CE2-CE2 4.11Å; F448-Y485 AromaticContact CG-CE2 3.85Å; F448-Y485 HydrophobicContact CG-CE2 3.85Å |
| 449 | R | 88.3 | Confident | 89.1 | Confident | 76 Ų | 76 | 34.4 Ų | 34.4 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.1 | -29.2 | 173 | -73.1 | -173.4 | 61.4 | -170.9 | -0.5 | 112.9 | K445 D446 I447 W480 P576 L577 I578 | K445-R449 WeakPolarHBondContact O-CG 3.42Å; K445-R449 PolarHBondContact O-N 3.25Å; D446-R449 PolarHBondContact O-N 2.69Å; I447-R449 VanDerWaalsContact C-N 3.28Å; I447-R449 PolarHBondContact O-N 2.85Å; R449-W480 HydrophobicContact CG-CH2 3.38Å; R449-W480 HydrophobicContact CG-CZ2 3.47Å; R449-W480 VanDerWaalsContact CG-CZ2 3.47Å; R449-W480 HydrophobicContact CG-CZ3 4.35Å; R449-P576 PolarHBondContact NH2-O 2.87Å; R449-P576 VanDerWaalsContact NH2-O 3.09Å; R449-L577 VanDerWaalsContact O-CD2 3.29Å; R449-L577 WeakPolarHBondContact O-CD2 3.25Å; R449-I578 HydrophobicContact CB-CD1 3.78Å; R449-I578 HydrophobicContact CB-CG1 4.03Å; R449-I578 HydrophobicContact CG-CD1 4.43Å |
| 450 | K | 88.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 37.1 Ų | 37.1 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -83 | -39.1 | 177 | -175.8 | 60.5 | 169.3 | -169.9 | 0 | 112.8 | D446 I447 F448 P452 I578 | D446-K450 PolarHBondContact O-N 3.46Å; D446-K450 VanDerWaalsContact O-N 3.12Å; I447-K450 PolarHBondContact O-N 3.27Å; F448-K450 VanDerWaalsContact C-N 3.3Å; K450-P452 WeakPolarHBondContact O-CD 3.39Å; K450-I578 PolarHBondContact NZ-O 2.87Å |
| 451 | Y | 88.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -126.1 | 72.9 | -177.7 | -53 | -68.6 | 0 | 0 | 0 | 111.1 | A411 E415 A418 I447 F448 N453 K454 Y455 | A411-Y451 WeakPolarHBondContact O-CE2 3.37Å; A411-Y451 PolarHBondContact O-OH 3.36Å; E415-Y451 VanDerWaalsContact CA-OH 3.32Å; E415-Y451 WeakPolarHBondContact CA-OH 2.97Å; E415-Y451 HydrophobicContact CB-CE1 4.3Å; E415-Y451 HydrophobicContact CG-CE1 3.81Å; A418-Y451 HydrophobicContact CB-CD2 4.36Å; A418-Y451 HydrophobicContact CB-CE2 3.74Å; I447-Y451 HydrophobicContact CG2-CD2 4.1Å; I447-Y451 PolarHBondContact O-N 3.33Å; F448-Y451 CarbonylContact O-C 3.49Å; Y451-N453 PolarHBondContact O-N 3.46Å; Y451-K454 HydrophobicContact CD1-CD 4.42Å; Y451-K454 PolarHBondContact O-N 3.15Å; Y451-Y455 AromaticContact CD2-CE2 3.84Å; Y451-Y455 HydrophobicContact CD2-CE2 3.84Å; Y451-Y455 HydrophobicContact CG-CE2 4.04Å |
| 452 | P | 83.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 44% | 0.442 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139.8 | 178.8 | -23.3 | 33.7 | 0 | 0 | 0 | 111.7 | F448 K450 K454 | F448-P452 WeakPolarHBondContact O-CA 3.38Å; K450-P452 WeakPolarHBondContact O-CD 3.39Å; P452-K454 PolarHBondContact O-N 2.93Å |
| 453 | N | 81.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 39.7 Ų | 39.7 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.5 | 173.9 | -50.9 | -33.3 | 0 | 0 | 0 | 116.4 | Y451 E456 Y485 | Y451-N453 PolarHBondContact O-N 3.46Å; N453-E456 WeakPolarHBondContact CA-OE1 3.42Å; N453-E456 WeakPolarHBondContact CB-OE1 3.37Å; N453-Y485 PolarHBondContact N-OH 3.34Å; N453-Y485 WeakPolarHBondContact OD1-CE1 2.99Å |
| 454 | K | 84.7 | Confident | 87.4 | Confident | 117 Ų | 117 | 46.3 Ų | 46.3 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -35 | 178 | -67.8 | -160.1 | -171.4 | 177.2 | 0 | 113.9 | E415 Y451 P452 | E415-K454 IonicContact OE1-NZ 2.7Å; E415-K454 PolarHBondContact OE1-NZ 3.4Å; Y451-K454 HydrophobicContact CD1-CD 4.42Å; Y451-K454 PolarHBondContact O-N 3.15Å; P452-K454 PolarHBondContact O-N 2.93Å |
| 455 | Y | 85.5 | Confident | 87 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | trans | -118.8 | 35.4 | -167.1 | -60.8 | -60.7 | 0 | 0 | 0 | 113.1 | A418 E419 V422 I447 F448 Y451 S457 I458 | A418-Y455 HydrophobicContact CB-CE2 4.35Å; A418-Y455 VanDerWaalsContact CB-OH 3.23Å; A418-Y455 WeakPolarHBondContact CB-OH 3.06Å; E419-Y455 HydrophobicContact CG-CE1 3.81Å; E419-Y455 PolarHBondContact N-OH 3.26Å; V422-Y455 HydrophobicContact CB-CD1 4.48Å; V422-Y455 HydrophobicContact CG1-CD1 4.18Å; V422-Y455 HydrophobicContact CG2-CD1 4.1Å; V422-Y455 HydrophobicContact CG2-CD2 4.07Å; V422-Y455 HydrophobicContact CG2-CE1 4.27Å; V422-Y455 HydrophobicContact CG2-CE2 4.22Å; V422-Y455 HydrophobicContact CG2-CG 4.01Å; I447-Y455 HydrophobicContact CG2-CD2 3.88Å; I447-Y455 HydrophobicContact CG2-CE2 4.13Å; F448-Y455 WeakPolarHBondContact CE1-O 3.4Å; Y451-Y455 AromaticContact CD2-CE2 3.84Å; Y451-Y455 HydrophobicContact CD2-CE2 3.84Å; Y451-Y455 HydrophobicContact CG-CE2 4.04Å; Y455-S457 PolarHBondContact O-N 2.78Å; Y455-I458 WeakPolarHBondContact O-CG1 3.04Å; Y455-I458 PolarHBondContact O-N 2.86Å | ||
| 456 | E | 81.2 | Confident | 86.7 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.7 | -172.4 | -60.2 | -175.7 | 179.8 | 0 | 0 | 113.6 | N453 I458 I459 Y485 | N453-E456 WeakPolarHBondContact CA-OE1 3.42Å; N453-E456 WeakPolarHBondContact CB-OE1 3.37Å; E456-I458 PolarHBondContact O-N 3.44Å; E456-I459 HydrophobicContact CB-CD1 4.28Å; E456-I459 WeakPolarHBondContact O-CB 3.25Å; E456-I459 WeakPolarHBondContact O-CG1 3.33Å; E456-I459 PolarHBondContact O-N 2.85Å; E456-Y485 HydrophobicContact CG-CE1 4.42Å |
| 457 | S | 82.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 52 Ų | 52 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.8 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | Y455 I459 S460 | Y455-S457 PolarHBondContact O-N 2.78Å; S457-I459 VanDerWaalsContact C-N 3.34Å; S457-S460 PolarHBondContact O-OG 3.37Å |
| 458 | I | 87.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.3 | -25.1 | 178.6 | -52.5 | 169.9 | 0 | 0 | 0 | 111.6 | V422 I426 I444 F448 Y455 E456 S460 I461 L462 | V422-I458 HydrophobicContact CB-CD1 4.33Å; V422-I458 HydrophobicContact CG1-CD1 3.35Å; V422-I458 HydrophobicContact CG1-CG1 4.02Å; V422-I458 HydrophobicContact CG2-CD1 4.17Å; I426-I458 HydrophobicContact CD1-CG1 3.94Å; I426-I458 HydrophobicContact CG1-CG1 4.24Å; I426-I458 HydrophobicContact CG1-CG2 4.32Å; I444-I458 HydrophobicContact CD1-CG2 3.98Å; F448-I458 HydrophobicContact CE1-CD1 4.33Å; F448-I458 HydrophobicContact CZ-CB 4.41Å; Y455-I458 WeakPolarHBondContact O-CG1 3.04Å; Y455-I458 PolarHBondContact O-N 2.86Å; E456-I458 PolarHBondContact O-N 3.44Å; I458-S460 VanDerWaalsContact C-N 3.28Å; I458-S460 PolarHBondContact O-N 3.1Å; I458-I461 WeakPolarHBondContact O-CB 3.32Å; I458-I461 PolarHBondContact O-N 3.46Å; I458-L462 HydrophobicContact CG2-CD1 3.97Å; I458-L462 HydrophobicContact CG2-CG 3.93Å; I458-L462 PolarHBondContact O-N 2.52Å |
| 459 | I | 87.3 | Confident | 86 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | -170.3 | -63.1 | 170.6 | 0 | 0 | 0 | 111 | F448 E456 S457 I461 L462 C463 Y485 I489 | F448-I459 HydrophobicContact CE2-CD1 4.42Å; F448-I459 HydrophobicContact CE2-CG1 3.92Å; F448-I459 HydrophobicContact CZ-CD1 4.37Å; F448-I459 HydrophobicContact CZ-CG1 3.77Å; E456-I459 HydrophobicContact CB-CD1 4.28Å; E456-I459 WeakPolarHBondContact O-CB 3.25Å; E456-I459 WeakPolarHBondContact O-CG1 3.33Å; E456-I459 PolarHBondContact O-N 2.85Å; S457-I459 VanDerWaalsContact C-N 3.34Å; I459-I461 PolarHBondContact O-N 3.4Å; I459-L462 WeakPolarHBondContact O-CB 3.34Å; I459-L462 PolarHBondContact O-N 3.34Å; I459-C463 PolarHBondContact O-N 2.99Å; I459-C463 PolarHBondContact O-SG 3.38Å; I459-Y485 HydrophobicContact CD1-CD1 3.87Å; I459-Y485 HydrophobicContact CD1-CD2 4.12Å; I459-Y485 HydrophobicContact CD1-CG 3.6Å; I459-I489 HydrophobicContact CG2-CD1 3.53Å; I459-I489 HydrophobicContact CG2-CG1 3.52Å |
| 460 | S | 87.4 | Confident | 86 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.9 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | S457 I458 L462 C463 E464 | S457-S460 PolarHBondContact O-OG 3.37Å; I458-S460 VanDerWaalsContact C-N 3.28Å; I458-S460 PolarHBondContact O-N 3.1Å; S460-L462 VanDerWaalsContact C-N 3.29Å; S460-L462 PolarHBondContact O-N 3.36Å; S460-C463 PolarHBondContact O-N 3.45Å; S460-E464 WeakPolarHBondContact O-CG 3.33Å; S460-E464 PolarHBondContact O-N 3.2Å |
| 461 | I | 88.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 179.2 | -54.2 | 177.2 | 0 | 0 | 0 | 110.8 | I426 I429 I458 I459 N465 | I426-I461 HydrophobicContact CG1-CD1 4.44Å; I426-I461 HydrophobicContact CG2-CD1 3.64Å; I429-I461 HydrophobicContact CG2-CG2 4.08Å; I458-I461 WeakPolarHBondContact O-CB 3.32Å; I458-I461 PolarHBondContact O-N 3.46Å; I459-I461 PolarHBondContact O-N 3.4Å; I461-N465 PolarHBondContact O-ND2 2.7Å |
| 462 | L | 89.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.4 | -72.6 | 175.1 | 0 | 0 | 0 | 112 | I429 V441 I444 I458 I459 S460 E464 N465 M478 I481 | I429-L462 HydrophobicContact CD1-CD2 3.75Å; V441-L462 HydrophobicContact CG2-CD2 3.79Å; I444-L462 HydrophobicContact CD1-CD1 4.35Å; I444-L462 HydrophobicContact CD1-CD2 3.89Å; I444-L462 HydrophobicContact CG2-CD1 3.92Å; I458-L462 HydrophobicContact CG2-CD1 3.97Å; I458-L462 HydrophobicContact CG2-CG 3.93Å; I458-L462 PolarHBondContact O-N 2.52Å; I459-L462 WeakPolarHBondContact O-CB 3.34Å; I459-L462 PolarHBondContact O-N 3.34Å; S460-L462 VanDerWaalsContact C-N 3.29Å; S460-L462 PolarHBondContact O-N 3.36Å; L462-E464 VanDerWaalsContact C-N 3.3Å; L462-E464 PolarHBondContact O-N 2.83Å; L462-N465 PolarHBondContact O-N 2.9Å; L462-N465 VanDerWaalsContact O-N 3.17Å; L462-M478 HydrophobicContact CB-CE 3.82Å; L462-M478 HydrophobicContact CB-SD 4.17Å; L462-M478 HydrophobicContact CD2-CE 4.23Å; L462-M478 WeakPolarHBondContact O-CE 3.36Å; L462-I481 HydrophobicContact CD1-CD1 4.03Å |
| 463 | C | 87.3 | Confident | 86.9 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 178.7 | -64.5 | 0 | 0 | 0 | 0 | 112 | I459 S460 N465 L466 L495 | I459-C463 PolarHBondContact O-N 2.99Å; I459-C463 PolarHBondContact O-SG 3.38Å; S460-C463 PolarHBondContact O-N 3.45Å; C463-N465 PolarHBondContact O-N 2.99Å; C463-L466 HydrophobicContact CB-CD1 4.3Å; C463-L466 VanDerWaalsContact O-CD1 3.3Å; C463-L466 WeakPolarHBondContact O-CD1 3.1Å; C463-L466 WeakPolarHBondContact O-CG 3.36Å; C463-L466 PolarHBondContact O-N 3.13Å; C463-L495 HydrophobicContact CB-CD1 4.34Å |
| 464 | E | 86.8 | Confident | 87.5 | Confident | 144 Ų | 144 | 52.4 Ų | 52.4 | 67% | 0.673 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.4 | 175.6 | -74.6 | 173.7 | -161.4 | 0 | 0 | 114.1 | S460 L462 | S460-E464 WeakPolarHBondContact O-CG 3.33Å; S460-E464 PolarHBondContact O-N 3.2Å; L462-E464 VanDerWaalsContact C-N 3.3Å; L462-E464 PolarHBondContact O-N 2.83Å |
| 465 | N | 85.8 | Confident | 88 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 18.7 | -176.4 | -65.2 | -84 | 0 | 0 | 0 | 113.1 | V437 I461 L462 C463 D467 T468 | V437-N465 HydrophobicContact CG1-CB 4.21Å; I461-N465 PolarHBondContact O-ND2 2.7Å; L462-N465 PolarHBondContact O-N 2.9Å; L462-N465 VanDerWaalsContact O-N 3.17Å; C463-N465 PolarHBondContact O-N 2.99Å; N465-D467 VanDerWaalsContact C-N 3.25Å; N465-D467 PolarHBondContact O-N 2.95Å; N465-T468 PolarHBondContact O-N 2.87Å; N465-T468 PolarHBondContact O-OG1 2.89Å |
| 466 | L | 83.7 | Confident | 88.4 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -57.2 | -35.8 | -179.4 | -72.9 | 169.3 | 0 | 0 | 0 | 113.9 | C463 T468 L469 M478 I482 L495 F499 | C463-L466 HydrophobicContact CB-CD1 4.3Å; C463-L466 VanDerWaalsContact O-CD1 3.3Å; C463-L466 WeakPolarHBondContact O-CD1 3.1Å; C463-L466 WeakPolarHBondContact O-CG 3.36Å; C463-L466 PolarHBondContact O-N 3.13Å; L466-T468 PolarHBondContact O-N 3.38Å; L466-L469 HydrophobicContact CD2-CD1 4.14Å; L466-L469 WeakPolarHBondContact O-CB 3.37Å; L466-L469 WeakPolarHBondContact O-CG 3.15Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-M478 HydrophobicContact CD2-CB 4.48Å; L466-M478 HydrophobicContact CD2-CE 3.73Å; L466-M478 HydrophobicContact CD2-CG 3.18Å; L466-M478 HydrophobicContact CD2-SD 3.66Å; L466-I482 HydrophobicContact CD2-CD1 4.3Å; L466-L495 HydrophobicContact CD1-CD1 3.92Å; L466-L495 HydrophobicContact CD1-CD2 3.44Å; L466-L495 VanDerWaalsContact CD1-CD2 3.44Å; L466-L495 HydrophobicContact CD1-CG 4.18Å; L466-F499 HydrophobicContact CD2-CE2 4.37Å; L466-F499 HydrophobicContact CD2-CZ 4.23Å |
| 467 | D | 84.7 | Confident | 89.1 | Confident | 162 Ų | 162 | 45.1 Ų | 45.1 | 87% | 0.866 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -64.7 | -14.1 | -177.4 | -56.8 | -26.1 | 0 | 0 | 0 | 113.2 | N465 | N465-D467 VanDerWaalsContact C-N 3.25Å; N465-D467 PolarHBondContact O-N 2.95Å |
| 468 | T | 85.1 | Confident | 89.6 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -87.5 | -3.6 | -179.3 | 67.7 | 0 | 0 | 0 | 0 | 114 | V437 Q438 N465 L466 | V437-T468 WeakPolarHBondContact CG1-OG1 3.13Å; Q438-T468 PolarHBondContact NE2-O 3.07Å; N465-T468 PolarHBondContact O-N 2.87Å; N465-T468 PolarHBondContact O-OG1 2.89Å; L466-T468 PolarHBondContact O-N 3.38Å |
| 469 | L | 88 | Confident | 90 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -93.1 | 107.2 | -172.5 | -51.4 | -179.3 | 0 | 0 | 0 | 112.2 | V437 Q438 V441 L466 A474 R475 M478 | V437-L469 HydrophobicContact CG1-CD2 4.41Å; Q438-L469 HydrophobicContact CG-CD2 3.65Å; V441-L469 HydrophobicContact CG2-CD2 4.06Å; L466-L469 HydrophobicContact CD2-CD1 4.14Å; L466-L469 WeakPolarHBondContact O-CB 3.37Å; L466-L469 WeakPolarHBondContact O-CG 3.15Å; L466-L469 PolarHBondContact O-N 3.49Å; L469-A474 HydrophobicContact CD2-CB 4.35Å; L469-R475 HydrophobicContact CB-CG 3.86Å; L469-R475 PolarHBondContact O-NH1 2.87Å; L469-M478 HydrophobicContact CD1-CB 3.65Å; L469-M478 HydrophobicContact CD1-CE 3.75Å; L469-M478 HydrophobicContact CD1-CG 3.77Å | ||
| 470 | D | 89.6 | Confident | 90.3 | Very high | 113 Ų | 113 | 41.2 Ų | 41.2 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | trans | -109.1 | -29.4 | 174.4 | 57.3 | 12.3 | 0 | 0 | 0 | 113.1 | Q438 | Q438-D470 PolarHBondContact NE2-OD1 3.02Å; Q438-D470 PolarHBondContact OE1-OD1 3.45Å | ||
| 471 | E | 91.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 38 Ų | 38 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -75.6 | 139.2 | -179.5 | -68.3 | -173.2 | 167.1 | 0 | 0 | 113.7 | R401 E473 A474 R475 | R401-E471 IonicContact CZ-OE1 3.97Å; R401-E471 IonicContact CZ-OE2 3.44Å; R401-E471 VanDerWaalsContact NH1-CD 3.33Å; R401-E471 IonicContact NH1-OE1 3.58Å; R401-E471 PolarHBondContact NH1-OE1 3.13Å; R401-E471 IonicContact NH1-OE2 2.81Å; R401-E471 PolarHBondContact NH1-OE2 3.25Å; R401-E471 VanDerWaalsContact NH1-OE2 3.11Å; R401-E471 IonicContact NH2-OE1 3.62Å; R401-E471 PolarHBondContact NH2-OE1 3.49Å; R401-E471 IonicContact NH2-OE2 3.86Å; E471-E473 VanDerWaalsContact C-N 3.29Å; E471-E473 PolarHBondContact O-N 3.31Å; E471-A474 HydrophobicContact CB-CB 4.47Å; E471-A474 PolarHBondContact O-N 3.45Å; E471-R475 WeakPolarHBondContact O-CB 3.34Å; E471-R475 VanDerWaalsContact O-CG 3.3Å; E471-R475 WeakPolarHBondContact O-CG 3.4Å; E471-R475 PolarHBondContact O-N 2.86Å |
| 472 | P | 93.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 34% | 0.344 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.4 | -29.7 | -177.1 | 25.7 | -34.9 | 0 | 0 | 0 | 113.4 | G476 N507 Q509 V510 | P472-G476 PolarHBondContact O-N 2.97Å; P472-N507 HydrophobicContact CB-CB 3.77Å; P472-Q509 PolarHBondContact O-NE2 2.96Å; P472-V510 HydrophobicContact CB-CG2 3.81Å; P472-V510 WeakPolarHBondContact O-CG2 3.24Å |
| 473 | E | 94.2 | Very high | 90.8 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 175.8 | -167.6 | 178.5 | 177.1 | 0 | 0 | 111.9 | R405 V442 E471 S477 | R405-E473 IonicContact NH2-OE1 3.54Å; V442-E473 HydrophobicContact CG1-CG 4.33Å; V442-E473 HydrophobicContact CG2-CB 4.5Å; V442-E473 HydrophobicContact CG2-CG 3.96Å; E471-E473 VanDerWaalsContact C-N 3.29Å; E471-E473 PolarHBondContact O-N 3.31Å; E473-S477 VanDerWaalsContact O-CB 3.23Å; E473-S477 WeakPolarHBondContact O-CB 3.34Å; E473-S477 PolarHBondContact O-N 3.27Å; E473-S477 PolarHBondContact O-OG 2.68Å |
| 474 | A | 94.7 | Very high | 91 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.8 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q438 V442 L469 E471 S477 M478 | Q438-A474 HydrophobicContact CB-CB 3.65Å; Q438-A474 HydrophobicContact CG-CB 3.87Å; V442-A474 HydrophobicContact CG2-CB 4.28Å; L469-A474 HydrophobicContact CD2-CB 4.35Å; E471-A474 HydrophobicContact CB-CB 4.47Å; E471-A474 PolarHBondContact O-N 3.45Å; A474-S477 PolarHBondContact O-N 2.98Å; A474-M478 WeakPolarHBondContact O-CB 3.32Å; A474-M478 PolarHBondContact O-N 2.71Å |
| 475 | R | 94.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 174.5 | -67.6 | 176.4 | 70.5 | 69.6 | 0 | 111.2 | L469 E471 S477 M478 I479 E506 V510 | L469-R475 HydrophobicContact CB-CG 3.86Å; L469-R475 PolarHBondContact O-NH1 2.87Å; E471-R475 WeakPolarHBondContact O-CB 3.34Å; E471-R475 VanDerWaalsContact O-CG 3.3Å; E471-R475 WeakPolarHBondContact O-CG 3.4Å; E471-R475 PolarHBondContact O-N 2.86Å; R475-S477 VanDerWaalsContact C-N 3.32Å; R475-S477 PolarHBondContact O-N 2.74Å; R475-M478 WeakPolarHBondContact O-CB 3.05Å; R475-M478 PolarHBondContact O-N 3.35Å; R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.13Å; R475-I479 PolarHBondContact O-N 3.25Å; R475-E506 IonicContact CZ-OE1 2.7Å; R475-E506 VanDerWaalsContact CZ-OE1 3.31Å; R475-E506 IonicContact NE-OE1 3.24Å; R475-E506 PolarHBondContact NE-OE1 3.31Å; R475-E506 IonicContact NE-OE2 3.94Å; R475-E506 PolarHBondContact NE-OE2 3.18Å; R475-E506 IonicContact NH2-OE1 2.8Å; R475-E506 PolarHBondContact NH2-OE1 3.3Å; R475-V510 HydrophobicContact CB-CG1 4.43Å; R475-V510 HydrophobicContact CB-CG2 4.24Å |
| 476 | G | 94.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P472 M478 I479 W480 Q513 | P472-G476 PolarHBondContact O-N 2.97Å; G476-M478 VanDerWaalsContact C-N 3.32Å; G476-M478 PolarHBondContact O-N 3.43Å; G476-I479 PolarHBondContact O-N 3.43Å; G476-W480 WeakPolarHBondContact O-CB 3.2Å; G476-W480 PolarHBondContact O-N 2.83Å; G476-Q513 WeakPolarHBondContact O-CG 3.4Å |
| 477 | S | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.8 | -63 | 0 | 0 | 0 | 0 | 112.5 | K445 E473 A474 R475 W480 I481 | K445-S477 PolarHBondContact NZ-OG 2.96Å; E473-S477 VanDerWaalsContact O-CB 3.23Å; E473-S477 WeakPolarHBondContact O-CB 3.34Å; E473-S477 PolarHBondContact O-N 3.27Å; E473-S477 PolarHBondContact O-OG 2.68Å; A474-S477 PolarHBondContact O-N 2.98Å; R475-S477 VanDerWaalsContact C-N 3.32Å; R475-S477 PolarHBondContact O-N 2.74Å; S477-W480 WeakPolarHBondContact O-CB 3.27Å; S477-W480 PolarHBondContact O-N 3.3Å; S477-I481 WeakPolarHBondContact O-CG1 3.12Å; S477-I481 PolarHBondContact O-N 2.84Å; S477-I481 VanDerWaalsContact O-N 3.11Å |
| 478 | M | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -47.6 | 176.3 | -174.5 | 62.2 | 81.3 | 0 | 0 | 112.6 | V441 L462 L466 L469 A474 R475 G476 W480 I481 I482 | V441-M478 HydrophobicContact CB-CE 4.5Å; V441-M478 HydrophobicContact CG1-CB 3.99Å; V441-M478 HydrophobicContact CG1-CE 3.9Å; V441-M478 HydrophobicContact CG1-SD 4.46Å; V441-M478 HydrophobicContact CG2-CE 3.7Å; L462-M478 HydrophobicContact CB-CE 3.82Å; L462-M478 HydrophobicContact CB-SD 4.17Å; L462-M478 HydrophobicContact CD2-CE 4.23Å; L462-M478 WeakPolarHBondContact O-CE 3.36Å; L466-M478 HydrophobicContact CD2-CB 4.48Å; L466-M478 HydrophobicContact CD2-CE 3.73Å; L466-M478 HydrophobicContact CD2-CG 3.18Å; L466-M478 HydrophobicContact CD2-SD 3.66Å; L469-M478 HydrophobicContact CD1-CB 3.65Å; L469-M478 HydrophobicContact CD1-CE 3.75Å; L469-M478 HydrophobicContact CD1-CG 3.77Å; A474-M478 WeakPolarHBondContact O-CB 3.32Å; A474-M478 PolarHBondContact O-N 2.71Å; R475-M478 WeakPolarHBondContact O-CB 3.05Å; R475-M478 PolarHBondContact O-N 3.35Å; G476-M478 VanDerWaalsContact C-N 3.32Å; G476-M478 PolarHBondContact O-N 3.43Å; M478-W480 PolarHBondContact O-N 2.78Å; M478-I481 WeakPolarHBondContact O-CA 3.25Å; M478-I481 WeakPolarHBondContact O-CB 3.44Å; M478-I481 PolarHBondContact O-N 3.42Å; M478-I482 HydrophobicContact CG-CD1 4.05Å; M478-I482 WeakPolarHBondContact O-CG1 3.5Å; M478-I482 PolarHBondContact O-N 2.78Å |
| 479 | I | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.3 | -38.8 | 176.6 | -69.5 | 169.1 | 0 | 0 | 0 | 110.7 | R475 G476 I482 G483 L496 F499 V510 Q513 L514 A517 | R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.13Å; R475-I479 PolarHBondContact O-N 3.25Å; G476-I479 PolarHBondContact O-N 3.43Å; I479-I482 PolarHBondContact O-N 2.87Å; I479-G483 PolarHBondContact O-N 2.87Å; I479-L496 HydrophobicContact CG2-CD2 4.06Å; I479-F499 HydrophobicContact CD1-CB 4.25Å; I479-F499 HydrophobicContact CD1-CD1 3.71Å; I479-F499 HydrophobicContact CD1-CD2 4.45Å; I479-F499 HydrophobicContact CD1-CE1 4.14Å; I479-F499 HydrophobicContact CD1-CG 3.91Å; I479-F499 HydrophobicContact CG1-CD1 4.01Å; I479-F499 HydrophobicContact CG1-CD2 3.99Å; I479-F499 HydrophobicContact CG1-CE1 4.13Å; I479-F499 HydrophobicContact CG1-CE2 4.14Å; I479-F499 HydrophobicContact CG1-CG 3.97Å; I479-F499 HydrophobicContact CG1-CZ 4.22Å; I479-V510 HydrophobicContact CD1-CG1 3.46Å; I479-V510 VanDerWaalsContact CD1-CG1 3.46Å; I479-Q513 HydrophobicContact CB-CG 4.18Å; I479-Q513 HydrophobicContact CG2-CB 4.37Å; I479-Q513 HydrophobicContact CG2-CG 4Å; I479-L514 HydrophobicContact CD1-CB 4.28Å; I479-L514 HydrophobicContact CD1-CD1 4.47Å; I479-L514 HydrophobicContact CG2-CB 4.15Å; I479-L514 HydrophobicContact CG2-CD1 4.13Å; I479-A517 HydrophobicContact CG2-CB 3.57Å; I479-A517 WeakPolarHBondContact O-CB 3.43Å |
| 480 | W | 94.2 | Very high | 91 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 172.6 | -177 | 100.6 | 0 | 0 | 0 | 112 | K445 F448 R449 G476 S477 M478 G483 E484 Q513 K575 | K445-W480 HydrophobicContact CB-CE3 4.5Å; K445-W480 HydrophobicContact CD-CD2 4.44Å; K445-W480 HydrophobicContact CD-CE3 4.44Å; K445-W480 HydrophobicContact CG-CD2 4.03Å; K445-W480 HydrophobicContact CG-CE3 3.6Å; K445-W480 HydrophobicContact CG-CZ3 3.91Å; F448-W480 HydrophobicContact CB-CZ3 4.32Å; R449-W480 HydrophobicContact CG-CH2 3.38Å; R449-W480 HydrophobicContact CG-CZ2 3.47Å; R449-W480 VanDerWaalsContact CG-CZ2 3.47Å; R449-W480 HydrophobicContact CG-CZ3 4.35Å; G476-W480 WeakPolarHBondContact O-CB 3.2Å; G476-W480 PolarHBondContact O-N 2.83Å; S477-W480 WeakPolarHBondContact O-CB 3.27Å; S477-W480 PolarHBondContact O-N 3.3Å; M478-W480 PolarHBondContact O-N 2.78Å; W480-G483 PolarHBondContact O-N 3.47Å; W480-E484 HydrophobicContact CD2-CB 4.49Å; W480-E484 HydrophobicContact CE3-CB 4.28Å; W480-E484 HydrophobicContact CH2-CB 4.38Å; W480-E484 HydrophobicContact CH2-CG 4.1Å; W480-E484 HydrophobicContact CZ2-CG 4.37Å; W480-E484 HydrophobicContact CZ3-CB 4.21Å; W480-E484 HydrophobicContact CZ3-CG 4.38Å; W480-E484 VanDerWaalsContact O-CB 3.25Å; W480-E484 WeakPolarHBondContact O-CB 3.4Å; W480-E484 PolarHBondContact O-N 2.83Å; W480-Q513 HydrophobicContact CB-CG 4.01Å; W480-K575 HydrophobicContact CZ2-CD 3.81Å; W480-K575 VanDerWaalsContact NE1-NZ 3.11Å |
| 481 | I | 93 | Very high | 90.8 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 179.2 | -68.3 | 171.1 | 0 | 0 | 0 | 109.8 | V441 I444 K445 F448 L462 S477 M478 E484 Y485 | V441-I481 HydrophobicContact CG1-CD1 4.49Å; I444-I481 HydrophobicContact CG2-CD1 4.48Å; K445-I481 HydrophobicContact CB-CD1 4.19Å; K445-I481 HydrophobicContact CB-CG1 4.29Å; F448-I481 HydrophobicContact CD2-CD1 4.25Å; F448-I481 HydrophobicContact CD2-CG1 4.05Å; F448-I481 HydrophobicContact CD2-CG2 4.18Å; F448-I481 HydrophobicContact CE2-CD1 4.21Å; F448-I481 HydrophobicContact CE2-CG1 4.29Å; F448-I481 HydrophobicContact CE2-CG2 3.77Å; L462-I481 HydrophobicContact CD1-CD1 4.03Å; S477-I481 WeakPolarHBondContact O-CG1 3.12Å; S477-I481 PolarHBondContact O-N 2.84Å; S477-I481 VanDerWaalsContact O-N 3.11Å; M478-I481 WeakPolarHBondContact O-CA 3.25Å; M478-I481 WeakPolarHBondContact O-CB 3.44Å; M478-I481 PolarHBondContact O-N 3.42Å; I481-E484 PolarHBondContact O-N 2.86Å; I481-Y485 HydrophobicContact CG2-CD2 4.26Å; I481-Y485 PolarHBondContact O-N 2.89Å |
| 482 | I | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 179.9 | -63.7 | 166.2 | 0 | 0 | 0 | 110.5 | L466 M478 I479 E484 Y485 A486 I489 A492 L495 L496 F499 | L466-I482 HydrophobicContact CD2-CD1 4.3Å; M478-I482 HydrophobicContact CG-CD1 4.05Å; M478-I482 WeakPolarHBondContact O-CG1 3.5Å; M478-I482 PolarHBondContact O-N 2.78Å; I479-I482 PolarHBondContact O-N 2.87Å; I482-E484 PolarHBondContact O-N 2.9Å; I482-Y485 CarbonylContact O-C 3.26Å; I482-Y485 PolarHBondContact O-N 3.16Å; I482-A486 WeakPolarHBondContact O-CA 3.44Å; I482-A486 WeakPolarHBondContact O-CB 3.37Å; I482-A486 PolarHBondContact O-N 2.96Å; I482-I489 HydrophobicContact CB-CD1 4.23Å; I482-I489 HydrophobicContact CG1-CD1 4.14Å; I482-I489 HydrophobicContact CG2-CD1 4.2Å; I482-A492 HydrophobicContact CG2-CB 4.06Å; I482-L495 HydrophobicContact CD1-CB 4.19Å; I482-L495 HydrophobicContact CD1-CD1 4.19Å; I482-L496 HydrophobicContact CB-CD2 4.2Å; I482-L496 HydrophobicContact CG2-CD1 4.33Å; I482-L496 HydrophobicContact CG2-CD2 3.86Å; I482-L496 HydrophobicContact CG2-CG 3.84Å; I482-F499 HydrophobicContact CD1-CE2 4.22Å |
| 483 | G | 90.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I479 W480 K524 | I479-G483 PolarHBondContact O-N 2.87Å; W480-G483 PolarHBondContact O-N 3.47Å; G483-K524 PolarHBondContact O-NZ 3.32Å |
| 484 | E | 89.7 | Confident | 90.3 | Very high | 50 Ų | 50 | 36 Ų | 36 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.7 | -40.1 | 178.7 | -164.3 | 72.5 | 160 | 0 | 0 | 112.3 | W480 I481 I482 K520 K524 K575 | W480-E484 HydrophobicContact CD2-CB 4.49Å; W480-E484 HydrophobicContact CE3-CB 4.28Å; W480-E484 HydrophobicContact CH2-CB 4.38Å; W480-E484 HydrophobicContact CH2-CG 4.1Å; W480-E484 HydrophobicContact CZ2-CG 4.37Å; W480-E484 HydrophobicContact CZ3-CB 4.21Å; W480-E484 HydrophobicContact CZ3-CG 4.38Å; W480-E484 VanDerWaalsContact O-CB 3.25Å; W480-E484 WeakPolarHBondContact O-CB 3.4Å; W480-E484 PolarHBondContact O-N 2.83Å; I481-E484 PolarHBondContact O-N 2.86Å; I482-E484 PolarHBondContact O-N 2.9Å; E484-K520 IonicContact OE2-NZ 2.65Å; E484-K520 PolarHBondContact OE2-NZ 3.06Å; E484-K524 PolarHBondContact O-NZ 2.7Å; E484-K575 IonicContact OE1-NZ 3.31Å; E484-K575 PolarHBondContact OE1-NZ 3.36Å; E484-K575 IonicContact OE2-NZ 3.23Å; E484-K575 PolarHBondContact OE2-NZ 3.44Å |
| 485 | Y | 88.8 | Confident | 90 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -105.1 | 22.4 | -178.7 | -66.1 | -85.3 | 0 | 0 | 0 | 112.9 | F448 N453 E456 I459 I481 I482 E487 R488 I489 | F448-Y485 HydrophobicContact CB-CE2 4Å; F448-Y485 HydrophobicContact CD2-CD2 4.16Å; F448-Y485 AromaticContact CD2-CE2 3.52Å; F448-Y485 HydrophobicContact CD2-CE2 3.52Å; F448-Y485 HydrophobicContact CE2-CD2 4.4Å; F448-Y485 HydrophobicContact CE2-CE2 4.11Å; F448-Y485 AromaticContact CG-CE2 3.85Å; F448-Y485 HydrophobicContact CG-CE2 3.85Å; N453-Y485 PolarHBondContact N-OH 3.34Å; N453-Y485 WeakPolarHBondContact OD1-CE1 2.99Å; E456-Y485 HydrophobicContact CG-CE1 4.42Å; I459-Y485 HydrophobicContact CD1-CD1 3.87Å; I459-Y485 HydrophobicContact CD1-CD2 4.12Å; I459-Y485 HydrophobicContact CD1-CG 3.6Å; I481-Y485 HydrophobicContact CG2-CD2 4.26Å; I481-Y485 PolarHBondContact O-N 2.89Å; I482-Y485 CarbonylContact O-C 3.26Å; I482-Y485 PolarHBondContact O-N 3.16Å; Y485-E487 PolarHBondContact O-N 2.77Å; Y485-R488 PolarHBondContact O-N 3.3Å; Y485-I489 PolarHBondContact O-N 2.97Å |
| 486 | A | 86.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -25.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I482 R488 A492 L521 K524 R525 | I482-A486 WeakPolarHBondContact O-CA 3.44Å; I482-A486 WeakPolarHBondContact O-CB 3.37Å; I482-A486 PolarHBondContact O-N 2.96Å; A486-R488 VanDerWaalsContact C-N 3.26Å; A486-R488 PolarHBondContact O-N 2.73Å; A486-A492 HydrophobicContact CB-CB 4.39Å; A486-L521 HydrophobicContact CB-CB 4.44Å; A486-L521 HydrophobicContact CB-CD1 3.82Å; A486-K524 HydrophobicContact CB-CD 4.13Å; A486-R525 PolarHBondContact O-NE 3.15Å; A486-R525 PolarHBondContact O-NH2 3.16Å; A486-R525 VanDerWaalsContact O-NH2 3.12Å |
| 487 | E | 84.8 | Confident | 89.8 | Confident | 98 Ų | 98 | 39.8 Ų | 39.8 | 46% | 0.458 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.8 | 175.6 | -75.1 | 176.9 | -167.3 | 0 | 0 | 113.4 | Y485 K524 R525 | Y485-E487 PolarHBondContact O-N 2.77Å; E487-K524 HydrophobicContact CG-CB 4.17Å; E487-K524 HydrophobicContact CG-CD 4.07Å; E487-K524 HydrophobicContact CG-CG 4.23Å; E487-R525 VanDerWaalsContact C-NH2 3.3Å; E487-R525 PolarHBondContact O-NH2 3.26Å |
| 488 | R | 83.8 | Confident | 89.6 | Confident | 135 Ų | 135 | 43 Ų | 43 | 51% | 0.509 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -20.2 | -175 | -82.3 | 61.2 | 176.7 | 146.3 | -9.3 | 112.7 | Y485 A486 | Y485-R488 PolarHBondContact O-N 3.3Å; A486-R488 VanDerWaalsContact C-N 3.26Å; A486-R488 PolarHBondContact O-N 2.73Å |
| 489 | I | 85.7 | Confident | 89.4 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | trans | -92.8 | 109.7 | 177.7 | -57.6 | 169.1 | 0 | 0 | 0 | 106.8 | I459 I482 Y485 N491 A492 L495 R525 | I459-I489 HydrophobicContact CG2-CD1 3.53Å; I459-I489 HydrophobicContact CG2-CG1 3.52Å; I482-I489 HydrophobicContact CB-CD1 4.23Å; I482-I489 HydrophobicContact CG1-CD1 4.14Å; I482-I489 HydrophobicContact CG2-CD1 4.2Å; Y485-I489 PolarHBondContact O-N 2.97Å; I489-N491 WeakPolarHBondContact CG2-OD1 3.5Å; I489-A492 HydrophobicContact CB-CB 3.98Å; I489-A492 HydrophobicContact CG2-CB 3.95Å; I489-A492 WeakPolarHBondContact O-CB 3.32Å; I489-A492 PolarHBondContact O-N 3.34Å; I489-L495 HydrophobicContact CG2-CD1 3.99Å; I489-R525 PolarHBondContact O-NH1 2.85Å; I489-R525 PolarHBondContact O-NH2 2.86Å | ||
| 490 | D | 84.7 | Confident | 89.2 | Confident | 136 Ų | 136 | 43.9 Ų | 43.9 | 73% | 0.727 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -44 | -175 | -69.3 | -27.5 | 0 | 0 | 0 | 111.6 | A492 R525 | D490-A492 VanDerWaalsContact C-N 3.34Å; D490-A492 PolarHBondContact O-N 3.13Å; D490-R525 PolarHBondContact O-NH1 3.24Å; D490-R525 IonicContact OD1-NH2 3.86Å |
| 491 | N | 86.7 | Confident | 89 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 29.2 | 179 | 65.9 | -31.9 | 0 | 0 | 0 | 114.1 | I489 D493 E494 L495 | I489-N491 WeakPolarHBondContact CG2-OD1 3.5Å; N491-D493 VanDerWaalsContact C-OD1 3.24Å; N491-D493 WeakPolarHBondContact CA-OD1 3.34Å; N491-D493 PolarHBondContact O-N 2.91Å; N491-E494 HydrophobicContact CB-CB 4.41Å; N491-E494 PolarHBondContact O-N 3.48Å; N491-L495 VanDerWaalsContact O-CG 3.31Å; N491-L495 WeakPolarHBondContact O-CG 3.44Å; N491-L495 PolarHBondContact O-N 3.26Å |
| 492 | A | 88 | Confident | 88.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -34.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I482 A486 I489 D490 L496 L521 | I482-A492 HydrophobicContact CG2-CB 4.06Å; A486-A492 HydrophobicContact CB-CB 4.39Å; I489-A492 HydrophobicContact CB-CB 3.98Å; I489-A492 HydrophobicContact CG2-CB 3.95Å; I489-A492 WeakPolarHBondContact O-CB 3.32Å; I489-A492 PolarHBondContact O-N 3.34Å; D490-A492 VanDerWaalsContact C-N 3.34Å; D490-A492 PolarHBondContact O-N 3.13Å; A492-L496 WeakPolarHBondContact O-CB 3.49Å; A492-L496 VanDerWaalsContact O-CG 3.3Å; A492-L496 WeakPolarHBondContact O-CG 3.25Å; A492-L496 PolarHBondContact O-N 3.31Å; A492-L521 HydrophobicContact CB-CD1 4.04Å |
| 493 | D | 89.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -54.9 | 172.9 | 50.4 | -15 | 0 | 0 | 0 | 111.8 | N491 L495 L496 E497 L521 | N491-D493 VanDerWaalsContact C-OD1 3.24Å; N491-D493 WeakPolarHBondContact CA-OD1 3.34Å; N491-D493 PolarHBondContact O-N 2.91Å; D493-L495 VanDerWaalsContact C-N 3.27Å; D493-L495 PolarHBondContact O-N 2.97Å; D493-L496 PolarHBondContact O-N 2.72Å; D493-E497 WeakPolarHBondContact O-CB 3.48Å; D493-E497 PolarHBondContact O-N 3.22Å; D493-L521 HydrophobicContact CB-CD2 4.04Å |
| 494 | E | 89.7 | Confident | 88.5 | Confident | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.4 | -41.3 | 178.4 | -62 | 179.4 | 175 | 0 | 0 | 111.4 | N491 E497 S498 | N491-E494 HydrophobicContact CB-CB 4.41Å; N491-E494 PolarHBondContact O-N 3.48Å; E494-E497 PolarHBondContact O-N 3.39Å; E494-S498 PolarHBondContact O-N 3.3Å |
| 495 | L | 89.7 | Confident | 88.5 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -49 | 178.1 | -66.6 | -179.5 | 0 | 0 | 0 | 111.3 | C463 L466 I482 I489 N491 D493 E497 S498 F499 | C463-L495 HydrophobicContact CB-CD1 4.34Å; L466-L495 HydrophobicContact CD1-CD1 3.92Å; L466-L495 HydrophobicContact CD1-CD2 3.44Å; L466-L495 VanDerWaalsContact CD1-CD2 3.44Å; L466-L495 HydrophobicContact CD1-CG 4.18Å; I482-L495 HydrophobicContact CD1-CB 4.19Å; I482-L495 HydrophobicContact CD1-CD1 4.19Å; I489-L495 HydrophobicContact CG2-CD1 3.99Å; N491-L495 VanDerWaalsContact O-CG 3.31Å; N491-L495 WeakPolarHBondContact O-CG 3.44Å; N491-L495 PolarHBondContact O-N 3.26Å; D493-L495 VanDerWaalsContact C-N 3.27Å; D493-L495 PolarHBondContact O-N 2.97Å; L495-E497 VanDerWaalsContact C-N 3.33Å; L495-E497 PolarHBondContact O-N 3.42Å; L495-S498 PolarHBondContact O-N 3.49Å; L495-S498 PolarHBondContact O-OG 3.36Å; L495-F499 WeakPolarHBondContact O-CD2 3.16Å; L495-F499 PolarHBondContact O-N 2.92Å |
| 496 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 179.5 | -68.7 | -177.1 | 0 | 0 | 0 | 112.5 | I479 I482 A492 D493 S498 F499 L500 L514 A517 I518 L521 L532 | I479-L496 HydrophobicContact CG2-CD2 4.06Å; I482-L496 HydrophobicContact CB-CD2 4.2Å; I482-L496 HydrophobicContact CG2-CD1 4.33Å; I482-L496 HydrophobicContact CG2-CD2 3.86Å; I482-L496 HydrophobicContact CG2-CG 3.84Å; A492-L496 WeakPolarHBondContact O-CB 3.49Å; A492-L496 VanDerWaalsContact O-CG 3.3Å; A492-L496 WeakPolarHBondContact O-CG 3.25Å; A492-L496 PolarHBondContact O-N 3.31Å; D493-L496 PolarHBondContact O-N 2.72Å; L496-S498 VanDerWaalsContact C-N 3.34Å; L496-F499 PolarHBondContact O-N 2.83Å; L496-L500 PolarHBondContact O-N 2.93Å; L496-L514 HydrophobicContact CB-CD1 4.29Å; L496-L514 HydrophobicContact CD2-CD1 3.93Å; L496-A517 HydrophobicContact CD1-CB 4.03Å; L496-A517 HydrophobicContact CD2-CB 4.05Å; L496-I518 HydrophobicContact CB-CG1 4.07Å; L496-I518 HydrophobicContact CD1-CG1 3.94Å; L496-L521 HydrophobicContact CD1-CB 4.16Å; L496-L521 HydrophobicContact CD1-CD2 3.84Å; L496-L532 HydrophobicContact CB-CD2 4.24Å |
| 497 | E | 91.8 | Very high | 88.8 | Confident | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 173.2 | -171.3 | 170.5 | -155.8 | 0 | 0 | 111.2 | D493 E494 L495 F499 L500 D501 L532 | D493-E497 WeakPolarHBondContact O-CB 3.48Å; D493-E497 PolarHBondContact O-N 3.22Å; E494-E497 PolarHBondContact O-N 3.39Å; L495-E497 VanDerWaalsContact C-N 3.33Å; L495-E497 PolarHBondContact O-N 3.42Å; E497-F499 VanDerWaalsContact C-N 3.25Å; E497-F499 PolarHBondContact O-N 2.89Å; E497-L500 WeakPolarHBondContact O-CA 3.43Å; E497-L500 VanDerWaalsContact O-CB 3.3Å; E497-L500 WeakPolarHBondContact O-CB 3.37Å; E497-L500 PolarHBondContact O-N 3.41Å; E497-D501 PolarHBondContact O-N 2.8Å; E497-L532 HydrophobicContact CB-CD1 3.82Å; E497-L532 HydrophobicContact CG-CD1 4.07Å |
| 498 | S | 89.7 | Confident | 89.2 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -31.6 | 176.3 | 77.4 | 0 | 0 | 0 | 0 | 113.7 | E494 L495 L496 | E494-S498 PolarHBondContact O-N 3.3Å; L495-S498 PolarHBondContact O-N 3.49Å; L495-S498 PolarHBondContact O-OG 3.36Å; L496-S498 VanDerWaalsContact C-N 3.34Å |
| 499 | F | 90.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76 | -25.7 | 171.8 | -74.5 | -79.9 | 0 | 0 | 0 | 112.3 | L466 I479 I482 L495 L496 E497 L514 | L466-F499 HydrophobicContact CD2-CE2 4.37Å; L466-F499 HydrophobicContact CD2-CZ 4.23Å; I479-F499 HydrophobicContact CD1-CB 4.25Å; I479-F499 HydrophobicContact CD1-CD1 3.71Å; I479-F499 HydrophobicContact CD1-CD2 4.45Å; I479-F499 HydrophobicContact CD1-CE1 4.14Å; I479-F499 HydrophobicContact CD1-CG 3.91Å; I479-F499 HydrophobicContact CG1-CD1 4.01Å; I479-F499 HydrophobicContact CG1-CD2 3.99Å; I479-F499 HydrophobicContact CG1-CE1 4.13Å; I479-F499 HydrophobicContact CG1-CE2 4.14Å; I479-F499 HydrophobicContact CG1-CG 3.97Å; I479-F499 HydrophobicContact CG1-CZ 4.22Å; I482-F499 HydrophobicContact CD1-CE2 4.22Å; L495-F499 WeakPolarHBondContact O-CD2 3.16Å; L495-F499 PolarHBondContact O-N 2.92Å; L496-F499 PolarHBondContact O-N 2.83Å; E497-F499 VanDerWaalsContact C-N 3.25Å; E497-F499 PolarHBondContact O-N 2.89Å; F499-L514 HydrophobicContact CB-CD1 3.96Å; F499-L514 HydrophobicContact CB-CD2 3.89Å; F499-L514 WeakPolarHBondContact O-CD2 3.14Å |
| 500 | L | 91.8 | Very high | 90 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.8 | -30.8 | -178.8 | -167.9 | 68.5 | 0 | 0 | 0 | 112.6 | L496 E497 G502 F503 L514 I518 L532 T535 V536 L539 | L496-L500 PolarHBondContact O-N 2.93Å; E497-L500 WeakPolarHBondContact O-CA 3.43Å; E497-L500 VanDerWaalsContact O-CB 3.3Å; E497-L500 WeakPolarHBondContact O-CB 3.37Å; E497-L500 PolarHBondContact O-N 3.41Å; L500-G502 PolarHBondContact O-N 3.36Å; L500-G502 VanDerWaalsContact O-N 3.13Å; L500-F503 HydrophobicContact CD1-CB 4.13Å; L500-F503 HydrophobicContact CD1-CD2 3.78Å; L500-F503 HydrophobicContact CD1-CE2 4.49Å; L500-F503 HydrophobicContact CD1-CG 4.16Å; L500-F503 WeakPolarHBondContact O-CB 3.41Å; L500-F503 PolarHBondContact O-N 2.94Å; L500-L514 HydrophobicContact CB-CD2 4.37Å; L500-L514 HydrophobicContact CD1-CD2 4.13Å; L500-L514 HydrophobicContact CD1-CG 4.5Å; L500-I518 HydrophobicContact CD1-CD1 3.97Å; L500-I518 HydrophobicContact CD2-CD1 4.18Å; L500-I518 HydrophobicContact CG-CD1 4.49Å; L500-L532 HydrophobicContact CD2-CD1 3.55Å; L500-L532 HydrophobicContact CD2-CG 4.36Å; L500-T535 HydrophobicContact CD2-CG2 3.77Å; L500-T535 HydrophobicContact CG-CG2 4.47Å; L500-V536 HydrophobicContact CD1-CB 3.81Å; L500-V536 HydrophobicContact CD1-CG2 3.7Å; L500-V536 HydrophobicContact CD2-CB 4.45Å; L500-L539 HydrophobicContact CD1-CD1 3.84Å; L500-L539 HydrophobicContact CG-CD1 4.14Å |
| 501 | D | 89.7 | Confident | 90.5 | Very high | 141 Ų | 141 | 54.5 Ų | 54.5 | 75% | 0.754 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.4 | 177 | -74.2 | -21.5 | 0 | 0 | 0 | 112.7 | E497 | E497-D501 PolarHBondContact O-N 2.8Š|
| 502 | G | 86.4 | Confident | 90.9 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 14.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L500 Q504 D505 E506 | L500-G502 PolarHBondContact O-N 3.36Å; L500-G502 VanDerWaalsContact O-N 3.13Å; G502-Q504 VanDerWaalsContact C-N 3.32Å; G502-Q504 PolarHBondContact O-N 3.35Å; G502-Q504 VanDerWaalsContact O-N 3.1Å; G502-D505 PolarHBondContact O-N 2.98Å; G502-E506 WeakPolarHBondContact O-CG 3.29Å; G502-E506 PolarHBondContact O-N 3.18Å |
| 503 | F | 90.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -42.9 | -165.3 | -176.3 | -98.1 | 0 | 0 | 0 | 114.9 | L500 D505 E506 Q511 L514 V536 L539 A540 L549 | L500-F503 HydrophobicContact CD1-CB 4.13Å; L500-F503 HydrophobicContact CD1-CD2 3.78Å; L500-F503 HydrophobicContact CD1-CE2 4.49Å; L500-F503 HydrophobicContact CD1-CG 4.16Å; L500-F503 WeakPolarHBondContact O-CB 3.41Å; L500-F503 PolarHBondContact O-N 2.94Å; F503-D505 VanDerWaalsContact C-N 3.31Å; F503-D505 PolarHBondContact O-N 3.49Å; F503-E506 PolarHBondContact O-N 2.88Å; F503-Q511 HydrophobicContact CD2-CB 4.47Å; F503-Q511 HydrophobicContact CD2-CG 4.29Å; F503-Q511 HydrophobicContact CE1-CG 4.38Å; F503-Q511 HydrophobicContact CE2-CB 3.79Å; F503-Q511 HydrophobicContact CE2-CG 4.05Å; F503-Q511 HydrophobicContact CZ-CB 3.85Å; F503-Q511 HydrophobicContact CZ-CG 4.12Å; F503-Q511 WeakPolarHBondContact O-CG 3.49Å; F503-Q511 PolarHBondContact O-NE2 3.48Å; F503-L514 HydrophobicContact CD2-CD2 3.84Å; F503-L514 HydrophobicContact CE2-CD2 4.42Å; F503-V536 HydrophobicContact CD2-CG2 4.49Å; F503-V536 HydrophobicContact CE2-CG2 3.96Å; F503-V536 HydrophobicContact CZ-CG2 4.4Å; F503-L539 HydrophobicContact CB-CD1 3.94Å; F503-L539 HydrophobicContact CD1-CB 3.73Å; F503-L539 HydrophobicContact CD1-CD1 4.05Å; F503-L539 HydrophobicContact CD1-CG 4.41Å; F503-L539 HydrophobicContact CE1-CB 3.81Å; F503-L539 HydrophobicContact CG-CB 4.47Å; F503-L539 HydrophobicContact CG-CD1 4.04Å; F503-A540 HydrophobicContact CZ-CB 4.46Å; F503-L549 HydrophobicContact CE1-CD2 4.04Å; F503-L549 HydrophobicContact CZ-CD1 4.28Å; F503-L549 HydrophobicContact CZ-CD2 3.79Å; F503-L549 HydrophobicContact CZ-CG 4.47Å |
| 504 | Q | 87.9 | Confident | 91.5 | Very high | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.2 | -177.2 | -62.3 | -65 | -2.1 | 0 | 0 | 112.8 | G502 E543 | G502-Q504 VanDerWaalsContact C-N 3.32Å; G502-Q504 PolarHBondContact O-N 3.35Å; G502-Q504 VanDerWaalsContact O-N 3.1Å; Q504-E543 PolarHBondContact NE2-OE2 3.23Å |
| 505 | D | 89.2 | Confident | 91.8 | Very high | 157 Ų | 157 | 46 Ų | 46 | 84% | 0.84 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.6 | 179.8 | -64.3 | -35 | 0 | 0 | 0 | 112.3 | G502 F503 | G502-D505 PolarHBondContact O-N 2.98Å; F503-D505 VanDerWaalsContact C-N 3.31Å; F503-D505 PolarHBondContact O-N 3.49Å |
| 506 | E | 90.9 | Very high | 92 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72.9 | 152.5 | 178.7 | -72.8 | -64.7 | 165.8 | 0 | 0 | 113.4 | R475 G502 F503 V510 Q511 | R475-E506 IonicContact CZ-OE1 2.7Å; R475-E506 VanDerWaalsContact CZ-OE1 3.31Å; R475-E506 IonicContact NE-OE1 3.24Å; R475-E506 PolarHBondContact NE-OE1 3.31Å; R475-E506 IonicContact NE-OE2 3.94Å; R475-E506 PolarHBondContact NE-OE2 3.18Å; R475-E506 IonicContact NH2-OE1 2.8Å; R475-E506 PolarHBondContact NH2-OE1 3.3Å; G502-E506 WeakPolarHBondContact O-CG 3.29Å; G502-E506 PolarHBondContact O-N 3.18Å; F503-E506 PolarHBondContact O-N 2.88Å; E506-V510 HydrophobicContact CB-CB 4.23Å; E506-V510 HydrophobicContact CB-CG1 4.24Å; E506-V510 HydrophobicContact CG-CG1 4.18Å; E506-V510 WeakPolarHBondContact OE2-CG1 3.2Å; E506-Q511 HydrophobicContact CB-CG 3.98Å; E506-Q511 PolarHBondContact O-NE2 3.44Å |
| 507 | N | 92.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | trans | -62.9 | 144.4 | 173.2 | -172.5 | -65.5 | 0 | 0 | 0 | 110.8 | P472 Q509 V510 Q511 | P472-N507 HydrophobicContact CB-CB 3.77Å; N507-Q509 PolarHBondContact O-N 2.9Å; N507-Q509 PolarHBondContact OD1-N 3.14Å; N507-V510 HydrophobicContact CB-CG2 4.22Å; N507-V510 WeakPolarHBondContact O-CA 3.43Å; N507-V510 WeakPolarHBondContact O-CB 3.46Å; N507-V510 PolarHBondContact O-N 3.28Å; N507-Q511 PolarHBondContact O-N 3.29Å | ||
| 508 | T | 92.2 | Very high | 92.2 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -48.3 | -39.1 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | V510 Q511 L512 N546 | T508-V510 VanDerWaalsContact C-N 3.33Å; T508-V510 PolarHBondContact O-N 3.18Å; T508-Q511 PolarHBondContact O-N 3.41Å; T508-L512 HydrophobicContact CG2-CD1 3.98Å; T508-L512 HydrophobicContact CG2-CG 4.31Å; T508-L512 WeakPolarHBondContact O-CB 3.47Å; T508-L512 VanDerWaalsContact O-CG 3.25Å; T508-L512 WeakPolarHBondContact O-CG 3.39Å; T508-L512 PolarHBondContact O-N 3.24Å; T508-N546 WeakPolarHBondContact CG2-ND2 3.47Å |
| 509 | Q | 92.5 | Very high | 92.3 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.3 | -175.4 | -173.1 | -80.2 | 0 | 0 | 112 | P472 N507 Q513 | P472-Q509 PolarHBondContact O-NE2 2.96Å; N507-Q509 PolarHBondContact O-N 2.9Å; N507-Q509 PolarHBondContact OD1-N 3.14Å; Q509-Q513 WeakPolarHBondContact O-CB 3.25Å; Q509-Q513 PolarHBondContact O-N 3.36Å; Q509-Q513 VanDerWaalsContact O-N 3.1Å |
| 510 | V | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | P472 R475 I479 E506 N507 T508 L512 Q513 L514 | P472-V510 HydrophobicContact CB-CG2 3.81Å; P472-V510 WeakPolarHBondContact O-CG2 3.24Å; R475-V510 HydrophobicContact CB-CG1 4.43Å; R475-V510 HydrophobicContact CB-CG2 4.24Å; I479-V510 HydrophobicContact CD1-CG1 3.46Å; I479-V510 VanDerWaalsContact CD1-CG1 3.46Å; E506-V510 HydrophobicContact CB-CB 4.23Å; E506-V510 HydrophobicContact CB-CG1 4.24Å; E506-V510 HydrophobicContact CG-CG1 4.18Å; E506-V510 WeakPolarHBondContact OE2-CG1 3.2Å; N507-V510 HydrophobicContact CB-CG2 4.22Å; N507-V510 WeakPolarHBondContact O-CA 3.43Å; N507-V510 WeakPolarHBondContact O-CB 3.46Å; N507-V510 PolarHBondContact O-N 3.28Å; T508-V510 VanDerWaalsContact C-N 3.33Å; T508-V510 PolarHBondContact O-N 3.18Å; V510-L512 PolarHBondContact O-N 2.99Å; V510-Q513 CarbonylContact O-C 3.57Å; V510-Q513 PolarHBondContact O-N 2.84Å; V510-Q513 VanDerWaalsContact O-N 3.12Å; V510-L514 VanDerWaalsContact O-CB 3.3Å; V510-L514 WeakPolarHBondContact O-CB 3.37Å; V510-L514 PolarHBondContact O-N 3.09Å |
| 511 | Q | 95 | Very high | 92.4 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 175.5 | -66.3 | 174.1 | -29.3 | 0 | 0 | 112.1 | F503 E506 N507 T508 Q513 L514 L515 L549 | F503-Q511 HydrophobicContact CD2-CB 4.47Å; F503-Q511 HydrophobicContact CD2-CG 4.29Å; F503-Q511 HydrophobicContact CE1-CG 4.38Å; F503-Q511 HydrophobicContact CE2-CB 3.79Å; F503-Q511 HydrophobicContact CE2-CG 4.05Å; F503-Q511 HydrophobicContact CZ-CB 3.85Å; F503-Q511 HydrophobicContact CZ-CG 4.12Å; F503-Q511 WeakPolarHBondContact O-CG 3.49Å; F503-Q511 PolarHBondContact O-NE2 3.48Å; E506-Q511 HydrophobicContact CB-CG 3.98Å; E506-Q511 PolarHBondContact O-NE2 3.44Å; N507-Q511 PolarHBondContact O-N 3.29Å; T508-Q511 PolarHBondContact O-N 3.41Å; Q511-Q513 VanDerWaalsContact C-N 3.28Å; Q511-Q513 PolarHBondContact O-N 2.85Å; Q511-L514 PolarHBondContact O-N 3.3Å; Q511-L515 WeakPolarHBondContact O-CB 3.45Å; Q511-L515 PolarHBondContact O-N 3.19Å; Q511-L549 HydrophobicContact CB-CD1 4.26Å; Q511-L549 HydrophobicContact CB-CD2 3.68Å; Q511-L549 HydrophobicContact CG-CD2 4.28Å |
| 512 | L | 94.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.5 | -77.1 | 170.9 | 0 | 0 | 0 | 112.2 | T508 V510 T516 L549 R552 | T508-L512 HydrophobicContact CG2-CD1 3.98Å; T508-L512 HydrophobicContact CG2-CG 4.31Å; T508-L512 WeakPolarHBondContact O-CB 3.47Å; T508-L512 VanDerWaalsContact O-CG 3.25Å; T508-L512 WeakPolarHBondContact O-CG 3.39Å; T508-L512 PolarHBondContact O-N 3.24Å; V510-L512 PolarHBondContact O-N 2.99Å; L512-T516 WeakPolarHBondContact O-CB 3.35Å; L512-T516 PolarHBondContact O-N 2.81Å; L512-T516 PolarHBondContact O-OG1 2.91Å; L512-L549 HydrophobicContact CD2-CB 4.17Å; L512-L549 HydrophobicContact CD2-CD1 3.79Å; L512-L549 HydrophobicContact CG-CD1 4.22Å; L512-R552 HydrophobicContact CD2-CB 4.34Å |
| 513 | Q | 94.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.2 | -36.4 | -179.9 | -167.9 | 45.5 | 72.3 | 0 | 0 | 111.7 | G476 I479 W480 Q509 V510 Q511 T516 A517 | G476-Q513 WeakPolarHBondContact O-CG 3.4Å; I479-Q513 HydrophobicContact CB-CG 4.18Å; I479-Q513 HydrophobicContact CG2-CB 4.37Å; I479-Q513 HydrophobicContact CG2-CG 4Å; W480-Q513 HydrophobicContact CB-CG 4.01Å; Q509-Q513 WeakPolarHBondContact O-CB 3.25Å; Q509-Q513 PolarHBondContact O-N 3.36Å; Q509-Q513 VanDerWaalsContact O-N 3.1Å; V510-Q513 CarbonylContact O-C 3.57Å; V510-Q513 PolarHBondContact O-N 2.84Å; V510-Q513 VanDerWaalsContact O-N 3.12Å; Q511-Q513 VanDerWaalsContact C-N 3.28Å; Q511-Q513 PolarHBondContact O-N 2.85Å; Q513-T516 PolarHBondContact O-N 3.5Å; Q513-A517 VanDerWaalsContact O-CB 3.27Å; Q513-A517 WeakPolarHBondContact O-CB 3.47Å; Q513-A517 PolarHBondContact O-N 3.49Å |
| 514 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.2 | -47 | 175.9 | -175.8 | 54.5 | 0 | 0 | 0 | 111.8 | I479 L496 F499 L500 F503 V510 Q511 T516 A517 I518 | I479-L514 HydrophobicContact CD1-CB 4.28Å; I479-L514 HydrophobicContact CD1-CD1 4.47Å; I479-L514 HydrophobicContact CG2-CB 4.15Å; I479-L514 HydrophobicContact CG2-CD1 4.13Å; L496-L514 HydrophobicContact CB-CD1 4.29Å; L496-L514 HydrophobicContact CD2-CD1 3.93Å; F499-L514 HydrophobicContact CB-CD1 3.96Å; F499-L514 HydrophobicContact CB-CD2 3.89Å; F499-L514 WeakPolarHBondContact O-CD2 3.14Å; L500-L514 HydrophobicContact CB-CD2 4.37Å; L500-L514 HydrophobicContact CD1-CD2 4.13Å; L500-L514 HydrophobicContact CD1-CG 4.5Å; F503-L514 HydrophobicContact CD2-CD2 3.84Å; F503-L514 HydrophobicContact CE2-CD2 4.42Å; V510-L514 VanDerWaalsContact O-CB 3.3Å; V510-L514 WeakPolarHBondContact O-CB 3.37Å; V510-L514 PolarHBondContact O-N 3.09Å; Q511-L514 PolarHBondContact O-N 3.3Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.34Å; L514-A517 PolarHBondContact O-N 2.97Å; L514-A517 VanDerWaalsContact O-N 3.15Å; L514-I518 HydrophobicContact CD1-CD1 3.71Å; L514-I518 HydrophobicContact CD1-CG1 4.04Å; L514-I518 HydrophobicContact CG-CD1 3.87Å; L514-I518 WeakPolarHBondContact O-CB 3.47Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 3Å |
| 515 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.9 | -48.7 | 171.5 | 172.8 | 62.8 | 0 | 0 | 0 | 111.1 | Q511 V519 V536 L537 A540 L549 R552 Y556 | Q511-L515 WeakPolarHBondContact O-CB 3.45Å; Q511-L515 PolarHBondContact O-N 3.19Å; L515-V519 HydrophobicContact CD1-CG2 4.36Å; L515-V519 VanDerWaalsContact O-CG2 3.26Å; L515-V519 WeakPolarHBondContact O-CG2 3.43Å; L515-V519 PolarHBondContact O-N 3.37Å; L515-V519 VanDerWaalsContact O-N 3.13Å; L515-V536 HydrophobicContact CB-CG2 4.19Å; L515-V536 HydrophobicContact CD1-CG1 3.97Å; L515-V536 HydrophobicContact CD1-CG2 4Å; L515-L537 HydrophobicContact CD1-CD2 3.93Å; L515-A540 HydrophobicContact CD1-CB 4.44Å; L515-A540 HydrophobicContact CD2-CB 4.26Å; L515-L549 HydrophobicContact CB-CD1 4.36Å; L515-L549 HydrophobicContact CD2-CD1 3.8Å; L515-R552 HydrophobicContact CD2-CB 4.17Å; L515-R552 HydrophobicContact CD2-CG 4.01Å; L515-Y556 HydrophobicContact CD1-CD2 4.14Å; L515-Y556 HydrophobicContact CD2-CD2 4.01Å; L515-Y556 HydrophobicContact CD2-CE2 4.22Å; L515-Y556 HydrophobicContact CG-CD2 3.79Å; L515-Y556 HydrophobicContact CG-CE2 3.96Å |
| 516 | T | 94 | Very high | 91.8 | Very high | 15 Ų | 15 | 28 Ų | 28 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 112 | L512 Q513 L514 K520 Y556 | L512-T516 WeakPolarHBondContact O-CB 3.35Å; L512-T516 PolarHBondContact O-N 2.81Å; L512-T516 PolarHBondContact O-OG1 2.91Å; Q513-T516 PolarHBondContact O-N 3.5Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.34Å; T516-K520 HydrophobicContact CG2-CD 4.39Å; T516-K520 VanDerWaalsContact O-CG 3.27Å; T516-K520 WeakPolarHBondContact O-CG 3.3Å; T516-K520 PolarHBondContact O-N 3.44Å; T516-Y556 VanDerWaalsContact CG2-OH 3.32Å; T516-Y556 WeakPolarHBondContact CG2-OH 3.25Å; T516-Y556 PolarHBondContact OG1-OH 2.71Å |
| 517 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I479 L496 Q513 L514 K520 L521 | I479-A517 HydrophobicContact CG2-CB 3.57Å; I479-A517 WeakPolarHBondContact O-CB 3.43Å; L496-A517 HydrophobicContact CD1-CB 4.03Å; L496-A517 HydrophobicContact CD2-CB 4.05Å; Q513-A517 VanDerWaalsContact O-CB 3.27Å; Q513-A517 WeakPolarHBondContact O-CB 3.47Å; Q513-A517 PolarHBondContact O-N 3.49Å; L514-A517 PolarHBondContact O-N 2.97Å; L514-A517 VanDerWaalsContact O-N 3.15Å; A517-K520 WeakPolarHBondContact O-CB 3.36Å; A517-K520 PolarHBondContact O-N 3.01Å; A517-L521 WeakPolarHBondContact O-CB 3.37Å; A517-L521 PolarHBondContact O-N 3.44Å |
| 518 | I | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.5 | -69.6 | 169.5 | 0 | 0 | 0 | 110.7 | L496 L500 L514 K520 L521 F522 L532 V533 V536 | L496-I518 HydrophobicContact CB-CG1 4.07Å; L496-I518 HydrophobicContact CD1-CG1 3.94Å; L500-I518 HydrophobicContact CD1-CD1 3.97Å; L500-I518 HydrophobicContact CD2-CD1 4.18Å; L500-I518 HydrophobicContact CG-CD1 4.49Å; L514-I518 HydrophobicContact CD1-CD1 3.71Å; L514-I518 HydrophobicContact CD1-CG1 4.04Å; L514-I518 HydrophobicContact CG-CD1 3.87Å; L514-I518 WeakPolarHBondContact O-CB 3.47Å; L514-I518 WeakPolarHBondContact O-CG1 3.46Å; L514-I518 PolarHBondContact O-N 3Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 3.45Å; I518-L521 WeakPolarHBondContact O-CB 3.36Å; I518-L521 PolarHBondContact O-N 3.04Å; I518-F522 PolarHBondContact O-N 2.84Å; I518-L532 HydrophobicContact CD1-CD1 4.42Å; I518-L532 HydrophobicContact CD1-CD2 4.29Å; I518-L532 HydrophobicContact CD1-CG 4.04Å; I518-L532 HydrophobicContact CG1-CD2 3.93Å; I518-L532 HydrophobicContact CG1-CG 4.15Å; I518-L532 HydrophobicContact CG2-CB 4.32Å; I518-L532 HydrophobicContact CG2-CD2 4.01Å; I518-L532 HydrophobicContact CG2-CG 3.83Å; I518-V533 HydrophobicContact CG2-CB 4.48Å; I518-V533 HydrophobicContact CG2-CG2 3.77Å; I518-V536 HydrophobicContact CB-CG1 4.05Å; I518-V536 HydrophobicContact CD1-CB 3.86Å; I518-V536 HydrophobicContact CD1-CG1 4.14Å; I518-V536 HydrophobicContact CD1-CG2 3.96Å; I518-V536 HydrophobicContact CG2-CB 4.47Å; I518-V536 HydrophobicContact CG2-CG1 3.65Å |
| 519 | V | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L515 F522 L523 Y556 L560 V571 | L515-V519 HydrophobicContact CD1-CG2 4.36Å; L515-V519 VanDerWaalsContact O-CG2 3.26Å; L515-V519 WeakPolarHBondContact O-CG2 3.43Å; L515-V519 PolarHBondContact O-N 3.37Å; L515-V519 VanDerWaalsContact O-N 3.13Å; V519-F522 PolarHBondContact O-N 3.04Å; V519-L523 HydrophobicContact CG1-CD1 4.12Å; V519-L523 VanDerWaalsContact O-CG 3.31Å; V519-L523 WeakPolarHBondContact O-CG 3.36Å; V519-L523 PolarHBondContact O-N 3.42Å; V519-Y556 HydrophobicContact CB-CD2 4.47Å; V519-Y556 HydrophobicContact CG1-CD1 4.22Å; V519-Y556 HydrophobicContact CG1-CG 4.23Å; V519-Y556 HydrophobicContact CG2-CD2 3.85Å; V519-Y556 HydrophobicContact CG2-CE2 4.46Å; V519-Y556 HydrophobicContact CG2-CG 3.99Å; V519-L560 HydrophobicContact CG1-CD1 4.25Å; V519-L560 HydrophobicContact CG1-CD2 4.48Å; V519-L560 HydrophobicContact CG2-CD1 4.45Å; V519-V571 HydrophobicContact CG1-CG1 4.18Å; V519-V571 HydrophobicContact CG1-CG2 4.26Å |
| 520 | K | 92 | Very high | 89.5 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.5 | -76.3 | 177.9 | 174 | -168.7 | 0 | 112.6 | E484 T516 A517 I518 F522 L523 K524 V571 L572 | E484-K520 IonicContact OE2-NZ 2.65Å; E484-K520 PolarHBondContact OE2-NZ 3.06Å; T516-K520 HydrophobicContact CG2-CD 4.39Å; T516-K520 VanDerWaalsContact O-CG 3.27Å; T516-K520 WeakPolarHBondContact O-CG 3.3Å; T516-K520 PolarHBondContact O-N 3.44Å; A517-K520 WeakPolarHBondContact O-CB 3.36Å; A517-K520 PolarHBondContact O-N 3.01Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 3.45Å; K520-F522 VanDerWaalsContact C-N 3.28Å; K520-F522 PolarHBondContact O-N 3.31Å; K520-L523 PolarHBondContact O-N 2.7Å; K520-K524 WeakPolarHBondContact O-CB 3.41Å; K520-K524 WeakPolarHBondContact O-CG 3.36Å; K520-K524 PolarHBondContact O-N 2.86Å; K520-K524 VanDerWaalsContact O-N 3.1Å; K520-V571 VanDerWaalsContact CE-O 3.26Å; K520-V571 WeakPolarHBondContact CE-O 3.12Å; K520-V571 HydrophobicContact CG-CG1 3.58Å; K520-L572 HydrophobicContact CB-CD2 4.26Å; K520-L572 HydrophobicContact CD-CD2 4.48Å; K520-L572 HydrophobicContact CG-CD2 3.87Å |
| 521 | L | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 177.6 | 173.6 | 62 | 0 | 0 | 0 | 110.2 | A486 A492 D493 L496 A517 I518 K524 R525 T529 L532 | A486-L521 HydrophobicContact CB-CB 4.44Å; A486-L521 HydrophobicContact CB-CD1 3.82Å; A492-L521 HydrophobicContact CB-CD1 4.04Å; D493-L521 HydrophobicContact CB-CD2 4.04Å; L496-L521 HydrophobicContact CD1-CB 4.16Å; L496-L521 HydrophobicContact CD1-CD2 3.84Å; A517-L521 WeakPolarHBondContact O-CB 3.37Å; A517-L521 PolarHBondContact O-N 3.44Å; I518-L521 WeakPolarHBondContact O-CB 3.36Å; I518-L521 PolarHBondContact O-N 3.04Å; L521-K524 PolarHBondContact O-N 3.22Å; L521-R525 HydrophobicContact CD1-CB 4.43Å; L521-R525 PolarHBondContact O-N 2.9Å; L521-T529 HydrophobicContact CD1-CG2 4.18Å; L521-T529 HydrophobicContact CD2-CG2 3.81Å; L521-T529 HydrophobicContact CG-CG2 3.61Å; L521-L532 HydrophobicContact CD2-CD2 4.03Å |
| 522 | F | 90.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 20% | 0.197 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 176.7 | 175.9 | -102.5 | 0 | 0 | 0 | 114.7 | I518 V519 K520 K524 R525 P526 T529 Q530 V533 L560 | I518-F522 PolarHBondContact O-N 2.84Å; V519-F522 PolarHBondContact O-N 3.04Å; K520-F522 VanDerWaalsContact C-N 3.28Å; K520-F522 PolarHBondContact O-N 3.31Å; F522-K524 PolarHBondContact O-N 2.8Å; F522-R525 CarbonylContact O-C 3.6Å; F522-R525 PolarHBondContact O-N 3.05Å; F522-P526 HydrophobicContact CE2-CB 4.23Å; F522-P526 WeakPolarHBondContact O-CA 3.38Å; F522-T529 VanDerWaalsContact CA-OG1 3.32Å; F522-T529 WeakPolarHBondContact CA-OG1 3.25Å; F522-T529 WeakPolarHBondContact CD2-OG1 3.29Å; F522-Q530 HydrophobicContact CE2-CG 3.86Å; F522-V533 HydrophobicContact CB-CG2 3.26Å; F522-V533 HydrophobicContact CD1-CG2 4.27Å; F522-V533 HydrophobicContact CD2-CG2 3.85Å; F522-V533 HydrophobicContact CG-CB 4.48Å; F522-V533 HydrophobicContact CG-CG2 3.55Å; F522-L560 HydrophobicContact CD1-CD1 4.37Å; F522-L560 HydrophobicContact CD1-CD2 3.94Å; F522-L560 HydrophobicContact CE1-CD2 3.98Å |
| 523 | L | 88.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -26.5 | 176.9 | -71 | 173.9 | 0 | 0 | 0 | 112.5 | V519 K520 L560 A567 K568 V571 L572 | V519-L523 HydrophobicContact CG1-CD1 4.12Å; V519-L523 VanDerWaalsContact O-CG 3.31Å; V519-L523 WeakPolarHBondContact O-CG 3.36Å; V519-L523 PolarHBondContact O-N 3.42Å; K520-L523 PolarHBondContact O-N 2.7Å; L523-L560 HydrophobicContact CD2-CD2 3.59Å; L523-L560 HydrophobicContact CG-CD2 4.17Å; L523-A567 HydrophobicContact CD1-CB 4.4Å; L523-A567 HydrophobicContact CD2-CB 4.04Å; L523-K568 HydrophobicContact CB-CG 4.22Å; L523-K568 HydrophobicContact CD2-CG 3.87Å; L523-K568 HydrophobicContact CG-CG 4.43Å; L523-K568 WeakPolarHBondContact O-CE 3.21Å; L523-K568 PolarHBondContact O-NZ 3.27Å; L523-K568 VanDerWaalsContact O-NZ 3.12Å; L523-V571 HydrophobicContact CD1-CB 3.68Å; L523-V571 HydrophobicContact CD1-CG1 3.99Å; L523-V571 HydrophobicContact CD1-CG2 4.02Å; L523-L572 HydrophobicContact CB-CD1 4.34Å |
| 524 | K | 87.4 | Confident | 88.5 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -88.5 | -42.2 | 177.4 | -71.5 | 169.9 | 170.2 | 178.5 | 0 | 113 | G483 E484 A486 E487 K520 L521 F522 L572 | G483-K524 PolarHBondContact O-NZ 3.32Å; E484-K524 PolarHBondContact O-NZ 2.7Å; A486-K524 HydrophobicContact CB-CD 4.13Å; E487-K524 HydrophobicContact CG-CB 4.17Å; E487-K524 HydrophobicContact CG-CD 4.07Å; E487-K524 HydrophobicContact CG-CG 4.23Å; K520-K524 WeakPolarHBondContact O-CB 3.41Å; K520-K524 WeakPolarHBondContact O-CG 3.36Å; K520-K524 PolarHBondContact O-N 2.86Å; K520-K524 VanDerWaalsContact O-N 3.1Å; L521-K524 PolarHBondContact O-N 3.22Å; F522-K524 PolarHBondContact O-N 2.8Å; K524-L572 HydrophobicContact CG-CD1 4.38Å |
| 525 | R | 85.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | trans | -132.2 | 76.7 | -175.9 | -65.1 | -175.4 | -179.5 | 175 | 1.5 | 111.1 | A486 E487 I489 D490 L521 F522 S527 T529 | A486-R525 PolarHBondContact O-NE 3.15Å; A486-R525 PolarHBondContact O-NH2 3.16Å; A486-R525 VanDerWaalsContact O-NH2 3.12Å; E487-R525 VanDerWaalsContact C-NH2 3.3Å; E487-R525 PolarHBondContact O-NH2 3.26Å; I489-R525 PolarHBondContact O-NH1 2.85Å; I489-R525 PolarHBondContact O-NH2 2.86Å; D490-R525 PolarHBondContact O-NH1 3.24Å; D490-R525 IonicContact OD1-NH2 3.86Å; L521-R525 HydrophobicContact CD1-CB 4.43Å; L521-R525 PolarHBondContact O-N 2.9Å; F522-R525 CarbonylContact O-C 3.6Å; F522-R525 PolarHBondContact O-N 3.05Å; R525-S527 VanDerWaalsContact C-N 3.3Å; R525-S527 PolarHBondContact O-N 2.76Å; R525-T529 WeakPolarHBondContact O-CG2 3.46Å; R525-T529 PolarHBondContact O-OG1 3.36Å | ||
| 526 | P | 80.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.8 | -173 | 28.1 | -35.7 | 0 | 0 | 0 | 115.2 | F522 | F522-P526 HydrophobicContact CE2-CB 4.23Å; F522-P526 WeakPolarHBondContact O-CA 3.38Å |
| 527 | S | 78.2 | Confident | 88.2 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -41.9 | -176 | 38.2 | 0 | 0 | 0 | 0 | 113.2 | R525 | R525-S527 VanDerWaalsContact C-N 3.3Å; R525-S527 PolarHBondContact O-N 2.76Å |
| 528 | D | 73.1 | Confident | 88.1 | Confident | 117 Ų | 117 | 46.1 Ų | 46.1 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -113.1 | 1.3 | -164 | -48.1 | -56.6 | 0 | 0 | 0 | 112.8 | ||
| 529 | T | 84 | Confident | 88 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -121.9 | 8.4 | -164.4 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | L521 F522 R525 L532 V533 | L521-T529 HydrophobicContact CD1-CG2 4.18Å; L521-T529 HydrophobicContact CD2-CG2 3.81Å; L521-T529 HydrophobicContact CG-CG2 3.61Å; F522-T529 VanDerWaalsContact CA-OG1 3.32Å; F522-T529 WeakPolarHBondContact CA-OG1 3.25Å; F522-T529 WeakPolarHBondContact CD2-OG1 3.29Å; R525-T529 WeakPolarHBondContact O-CG2 3.46Å; R525-T529 PolarHBondContact O-OG1 3.36Å; T529-L532 PolarHBondContact O-N 3.2Å; T529-V533 WeakPolarHBondContact O-CG2 3.47Å; T529-V533 PolarHBondContact O-N 2.84Å; T529-V533 VanDerWaalsContact O-N 3.11Å | ||
| 530 | Q | 84.2 | Confident | 88 | Confident | 112 Ų | 112 | 47.3 Ų | 47.3 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | -179.1 | -75 | -176.8 | 2.9 | 0 | 0 | 112.4 | F522 Q534 | F522-Q530 HydrophobicContact CE2-CG 3.86Å; Q530-Q534 WeakPolarHBondContact O-CG 3.27Å; Q530-Q534 PolarHBondContact O-N 2.93Å; Q530-Q534 VanDerWaalsContact O-N 3.12Å |
| 531 | E | 87.6 | Confident | 87.9 | Confident | 157 Ų | 157 | 47.1 Ų | 47.1 | 73% | 0.734 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.6 | -46.2 | 178.9 | -64.1 | -172.8 | 175.6 | 0 | 0 | 110.5 | V533 Q534 T535 | E531-V533 VanDerWaalsContact C-N 3.34Å; E531-V533 PolarHBondContact O-N 3.44Å; E531-Q534 PolarHBondContact O-N 2.77Å; E531-Q534 VanDerWaalsContact O-N 3.14Å; E531-T535 PolarHBondContact O-N 3.47Å; E531-T535 PolarHBondContact O-OG1 3.28Å |
| 532 | L | 89.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | -179.9 | -164 | 69.7 | 0 | 0 | 0 | 112.7 | L496 E497 L500 I518 L521 T529 V536 | L496-L532 HydrophobicContact CB-CD2 4.24Å; E497-L532 HydrophobicContact CB-CD1 3.82Å; E497-L532 HydrophobicContact CG-CD1 4.07Å; L500-L532 HydrophobicContact CD2-CD1 3.55Å; L500-L532 HydrophobicContact CD2-CG 4.36Å; I518-L532 HydrophobicContact CD1-CD1 4.42Å; I518-L532 HydrophobicContact CD1-CD2 4.29Å; I518-L532 HydrophobicContact CD1-CG 4.04Å; I518-L532 HydrophobicContact CG1-CD2 3.93Å; I518-L532 HydrophobicContact CG1-CG 4.15Å; I518-L532 HydrophobicContact CG2-CB 4.32Å; I518-L532 HydrophobicContact CG2-CD2 4.01Å; I518-L532 HydrophobicContact CG2-CG 3.83Å; L521-L532 HydrophobicContact CD2-CD2 4.03Å; T529-L532 PolarHBondContact O-N 3.2Å; L532-V536 PolarHBondContact O-N 3.01Å |
| 533 | V | 90.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176 | 170 | 0 | 0 | 0 | 0 | 112.2 | I518 F522 T529 E531 T535 V536 L537 L560 | I518-V533 HydrophobicContact CG2-CB 4.48Å; I518-V533 HydrophobicContact CG2-CG2 3.77Å; F522-V533 HydrophobicContact CB-CG2 3.26Å; F522-V533 HydrophobicContact CD1-CG2 4.27Å; F522-V533 HydrophobicContact CD2-CG2 3.85Å; F522-V533 HydrophobicContact CG-CB 4.48Å; F522-V533 HydrophobicContact CG-CG2 3.55Å; T529-V533 WeakPolarHBondContact O-CG2 3.47Å; T529-V533 PolarHBondContact O-N 2.84Å; T529-V533 VanDerWaalsContact O-N 3.11Å; E531-V533 VanDerWaalsContact C-N 3.34Å; E531-V533 PolarHBondContact O-N 3.44Å; V533-T535 VanDerWaalsContact C-N 3.32Å; V533-V536 WeakPolarHBondContact O-CG1 3.19Å; V533-L537 HydrophobicContact CG1-CD1 3.61Å; V533-L537 HydrophobicContact CG1-CG 4.19Å; V533-L537 VanDerWaalsContact O-CB 3.31Å; V533-L537 WeakPolarHBondContact O-CB 3.42Å; V533-L537 VanDerWaalsContact O-CG 3.25Å; V533-L537 WeakPolarHBondContact O-CG 3.32Å; V533-L537 PolarHBondContact O-N 2.98Å; V533-L560 HydrophobicContact CG1-CD1 4.03Å |
| 534 | Q | 90.1 | Very high | 87.7 | Confident | 139 Ų | 139 | 56.8 Ų | 56.8 | 65% | 0.65 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 178.7 | -73.6 | 178.7 | 11.7 | 0 | 0 | 110.9 | Q530 E531 G538 | Q530-Q534 WeakPolarHBondContact O-CG 3.27Å; Q530-Q534 PolarHBondContact O-N 2.93Å; Q530-Q534 VanDerWaalsContact O-N 3.12Å; E531-Q534 PolarHBondContact O-N 2.77Å; E531-Q534 VanDerWaalsContact O-N 3.14Å; Q534-G538 PolarHBondContact O-N 2.76Å |
| 535 | T | 92.8 | Very high | 87.6 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -53.6 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111 | L500 E531 V533 L537 G538 L539 | L500-T535 HydrophobicContact CD2-CG2 3.77Å; L500-T535 HydrophobicContact CG-CG2 4.47Å; E531-T535 PolarHBondContact O-N 3.47Å; E531-T535 PolarHBondContact O-OG1 3.28Å; V533-T535 VanDerWaalsContact C-N 3.32Å; T535-L537 VanDerWaalsContact C-N 3.33Å; T535-L537 PolarHBondContact O-N 3.23Å; T535-G538 PolarHBondContact O-N 3.29Å; T535-L539 HydrophobicContact CG2-CD1 3.9Å; T535-L539 HydrophobicContact CG2-CG 4.35Å; T535-L539 WeakPolarHBondContact O-CB 3.45Å; T535-L539 VanDerWaalsContact O-CG 3.27Å; T535-L539 WeakPolarHBondContact O-CG 3.37Å; T535-L539 PolarHBondContact O-N 3.4Å |
| 536 | V | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | -177.7 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | L500 F503 L515 I518 L532 V533 A540 | L500-V536 HydrophobicContact CD1-CB 3.81Å; L500-V536 HydrophobicContact CD1-CG2 3.7Å; L500-V536 HydrophobicContact CD2-CB 4.45Å; F503-V536 HydrophobicContact CD2-CG2 4.49Å; F503-V536 HydrophobicContact CE2-CG2 3.96Å; F503-V536 HydrophobicContact CZ-CG2 4.4Å; L515-V536 HydrophobicContact CB-CG2 4.19Å; L515-V536 HydrophobicContact CD1-CG1 3.97Å; L515-V536 HydrophobicContact CD1-CG2 4Å; I518-V536 HydrophobicContact CB-CG1 4.05Å; I518-V536 HydrophobicContact CD1-CB 3.86Å; I518-V536 HydrophobicContact CD1-CG1 4.14Å; I518-V536 HydrophobicContact CD1-CG2 3.96Å; I518-V536 HydrophobicContact CG2-CB 4.47Å; I518-V536 HydrophobicContact CG2-CG1 3.65Å; L532-V536 PolarHBondContact O-N 3.01Å; V533-V536 WeakPolarHBondContact O-CG1 3.19Å; V536-A540 WeakPolarHBondContact O-CB 3.24Å; V536-A540 PolarHBondContact O-N 3.13Å |
| 537 | L | 92 | Very high | 88.4 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70 | -38.7 | 175.5 | -71.8 | 175.7 | 0 | 0 | 0 | 111.5 | L515 V533 T535 T541 G553 W557 L560 | L515-L537 HydrophobicContact CD1-CD2 3.93Å; V533-L537 HydrophobicContact CG1-CD1 3.61Å; V533-L537 HydrophobicContact CG1-CG 4.19Å; V533-L537 VanDerWaalsContact O-CB 3.31Å; V533-L537 WeakPolarHBondContact O-CB 3.42Å; V533-L537 VanDerWaalsContact O-CG 3.25Å; V533-L537 WeakPolarHBondContact O-CG 3.32Å; V533-L537 PolarHBondContact O-N 2.98Å; T535-L537 VanDerWaalsContact C-N 3.33Å; T535-L537 PolarHBondContact O-N 3.23Å; L537-T541 WeakPolarHBondContact O-CB 3.41Å; L537-T541 WeakPolarHBondContact O-CG2 3.4Å; L537-T541 PolarHBondContact O-N 2.84Å; L537-T541 PolarHBondContact O-OG1 3.46Å; L537-G553 WeakPolarHBondContact CD2-O 3.46Å; L537-W557 HydrophobicContact CD1-CB 4.24Å; L537-W557 HydrophobicContact CD1-CG 4.49Å; L537-W557 HydrophobicContact CD2-CB 4.3Å; L537-L560 HydrophobicContact CD1-CD1 4.36Å |
| 538 | G | 92 | Very high | 89 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 19% | 0.186 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q534 T535 A540 T541 Q542 | Q534-G538 PolarHBondContact O-N 2.76Å; T535-G538 PolarHBondContact O-N 3.29Å; G538-A540 PolarHBondContact O-N 2.71Å; G538-T541 PolarHBondContact O-N 3.25Å; G538-Q542 WeakPolarHBondContact O-CB 3.39Å; G538-Q542 PolarHBondContact O-N 3.05Å |
| 539 | L | 92.7 | Very high | 90 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -57.3 | -47.1 | 176.5 | -67.7 | 172.4 | 0 | 0 | 0 | 111.6 | L500 F503 T535 E543 S544 | L500-L539 HydrophobicContact CD1-CD1 3.84Å; L500-L539 HydrophobicContact CG-CD1 4.14Å; F503-L539 HydrophobicContact CB-CD1 3.94Å; F503-L539 HydrophobicContact CD1-CB 3.73Å; F503-L539 HydrophobicContact CD1-CD1 4.05Å; F503-L539 HydrophobicContact CD1-CG 4.41Å; F503-L539 HydrophobicContact CE1-CB 3.81Å; F503-L539 HydrophobicContact CG-CB 4.47Å; F503-L539 HydrophobicContact CG-CD1 4.04Å; T535-L539 HydrophobicContact CG2-CD1 3.9Å; T535-L539 HydrophobicContact CG2-CG 4.35Å; T535-L539 WeakPolarHBondContact O-CB 3.45Å; T535-L539 VanDerWaalsContact O-CG 3.27Å; T535-L539 WeakPolarHBondContact O-CG 3.37Å; T535-L539 PolarHBondContact O-N 3.4Å; L539-E543 WeakPolarHBondContact CD2-OE2 3.12Å; L539-E543 PolarHBondContact O-N 2.67Å; L539-S544 WeakPolarHBondContact O-CB 3.3Å; L539-S544 PolarHBondContact O-N 3.27Å |
| 540 | A | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -69.4 | -34.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F503 L515 V536 G538 S544 L549 R550 | F503-A540 HydrophobicContact CZ-CB 4.46Å; L515-A540 HydrophobicContact CD1-CB 4.44Å; L515-A540 HydrophobicContact CD2-CB 4.26Å; V536-A540 WeakPolarHBondContact O-CB 3.24Å; V536-A540 PolarHBondContact O-N 3.13Å; G538-A540 PolarHBondContact O-N 2.71Å; A540-S544 WeakPolarHBondContact O-CB 2.94Å; A540-L549 HydrophobicContact CB-CD1 4.25Å; A540-L549 HydrophobicContact CB-CG 4.13Å; A540-R550 WeakPolarHBondContact O-CA 3.2Å; A540-R550 VanDerWaalsContact O-CG 3.22Å; A540-R550 WeakPolarHBondContact O-CG 3.47Å |
| 541 | T | 90.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -98.2 | -32.2 | -172.4 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | L537 G538 Y554 W557 | L537-T541 WeakPolarHBondContact O-CB 3.41Å; L537-T541 WeakPolarHBondContact O-CG2 3.4Å; L537-T541 PolarHBondContact O-N 2.84Å; L537-T541 PolarHBondContact O-OG1 3.46Å; G538-T541 PolarHBondContact O-N 3.25Å; T541-Y554 HydrophobicContact CG2-CD1 4.03Å; T541-Y554 HydrophobicContact CG2-CD2 4.26Å; T541-Y554 HydrophobicContact CG2-CE1 4.04Å; T541-Y554 HydrophobicContact CG2-CE2 4.25Å; T541-Y554 HydrophobicContact CG2-CG 4.13Å; T541-W557 HydrophobicContact CG2-CE3 4.22Å |
| 542 | Q | 90.2 | Very high | 91.1 | Very high | 138 Ų | 138 | 56.8 Ų | 56.8 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -104.5 | -38.7 | -173.7 | -57.2 | 180 | 24.1 | 0 | 0 | 112.3 | G538 | G538-Q542 WeakPolarHBondContact O-CB 3.39Å; G538-Q542 PolarHBondContact O-N 3.05Å |
| 543 | E | 88 | Confident | 91.3 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -102.5 | -30.8 | -171.7 | -62.1 | -175.7 | -159.5 | 0 | 0 | 113.8 | Q504 L539 | Q504-E543 PolarHBondContact NE2-OE2 3.23Å; L539-E543 WeakPolarHBondContact CD2-OE2 3.12Å; L539-E543 PolarHBondContact O-N 2.67Å |
| 544 | S | 88.1 | Confident | 91.4 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | trans | -70.6 | 139.3 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L539 A540 N546 L549 R550 | L539-S544 WeakPolarHBondContact O-CB 3.3Å; L539-S544 PolarHBondContact O-N 3.27Å; A540-S544 WeakPolarHBondContact O-CB 2.94Å; S544-N546 PolarHBondContact OG-N 3.07Å; S544-L549 WeakPolarHBondContact OG-CD2 3.4Å; S544-R550 PolarHBondContact O-NE 2.68Å; S544-R550 PolarHBondContact O-NH2 3.43Å | ||
| 545 | D | 85.8 | Confident | 91.5 | Very high | 145 Ų | 145 | 57.7 Ų | 57.7 | 78% | 0.775 | 29% | 0.292 | S | S | * | . | trans | -91.8 | -4.2 | 172.3 | -71.8 | -34.4 | 0 | 0 | 0 | 113.9 | R550 | D545-R550 IonicContact OD1-NH2 3.67Š| ||
| 546 | N | 90.4 | Very high | 91.5 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -81.9 | 123.6 | -176.4 | -176 | -66.8 | 0 | 0 | 0 | 111.4 | T508 S544 D548 L549 R550 | T508-N546 WeakPolarHBondContact CG2-ND2 3.47Å; S544-N546 PolarHBondContact OG-N 3.07Å; N546-D548 WeakPolarHBondContact OD1-CB 3.16Å; N546-D548 PolarHBondContact OD1-N 3.14Å; N546-L549 HydrophobicContact CB-CB 3.98Å; N546-L549 PolarHBondContact O-N 2.82Å; N546-L549 PolarHBondContact OD1-N 3.24Å; N546-R550 WeakPolarHBondContact O-CB 2.95Å; N546-R550 WeakPolarHBondContact O-CG 2.88Å; N546-R550 PolarHBondContact O-N 2.74Å | ||
| 547 | P | 90.9 | Very high | 91.4 | Very high | 83 Ų | 83 | 61 Ų | 61 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | -176.8 | 25.8 | -33.6 | 0 | 0 | 0 | 113.2 | L549 R550 D551 | P547-L549 VanDerWaalsContact C-N 3.32Å; P547-L549 PolarHBondContact O-N 3.13Å; P547-R550 PolarHBondContact O-N 3.35Å; P547-D551 WeakPolarHBondContact O-CB 3.31Å; P547-D551 PolarHBondContact O-N 2.7Å |
| 548 | D | 91.8 | Very high | 91.3 | Very high | 103 Ų | 103 | 68.4 Ų | 68.4 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 179.4 | -64 | -41.2 | 0 | 0 | 0 | 111.5 | N546 R552 | N546-D548 WeakPolarHBondContact OD1-CB 3.16Å; N546-D548 PolarHBondContact OD1-N 3.14Å; D548-R552 VanDerWaalsContact O-CB 3.3Å; D548-R552 WeakPolarHBondContact O-CB 3.41Å; D548-R552 PolarHBondContact O-N 2.9Å |
| 549 | L | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.2 | -44.2 | 177.1 | -175.7 | 57.1 | 0 | 0 | 0 | 111.5 | F503 Q511 L512 L515 A540 S544 N546 P547 G553 | F503-L549 HydrophobicContact CE1-CD2 4.04Å; F503-L549 HydrophobicContact CZ-CD1 4.28Å; F503-L549 HydrophobicContact CZ-CD2 3.79Å; F503-L549 HydrophobicContact CZ-CG 4.47Å; Q511-L549 HydrophobicContact CB-CD1 4.26Å; Q511-L549 HydrophobicContact CB-CD2 3.68Å; Q511-L549 HydrophobicContact CG-CD2 4.28Å; L512-L549 HydrophobicContact CD2-CB 4.17Å; L512-L549 HydrophobicContact CD2-CD1 3.79Å; L512-L549 HydrophobicContact CG-CD1 4.22Å; L515-L549 HydrophobicContact CB-CD1 4.36Å; L515-L549 HydrophobicContact CD2-CD1 3.8Å; A540-L549 HydrophobicContact CB-CD1 4.25Å; A540-L549 HydrophobicContact CB-CG 4.13Å; S544-L549 WeakPolarHBondContact OG-CD2 3.4Å; N546-L549 HydrophobicContact CB-CB 3.98Å; N546-L549 PolarHBondContact O-N 2.82Å; N546-L549 PolarHBondContact OD1-N 3.24Å; P547-L549 VanDerWaalsContact C-N 3.32Å; P547-L549 PolarHBondContact O-N 3.13Å; L549-G553 PolarHBondContact O-N 2.9Å |
| 550 | R | 93.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 173.8 | -80.7 | -172.8 | 169.6 | 172.9 | 11.9 | 111.6 | A540 S544 D545 N546 P547 G553 Y554 | A540-R550 WeakPolarHBondContact O-CA 3.2Å; A540-R550 VanDerWaalsContact O-CG 3.22Å; A540-R550 WeakPolarHBondContact O-CG 3.47Å; S544-R550 PolarHBondContact O-NE 2.68Å; S544-R550 PolarHBondContact O-NH2 3.43Å; D545-R550 IonicContact OD1-NH2 3.67Å; N546-R550 WeakPolarHBondContact O-CB 2.95Å; N546-R550 WeakPolarHBondContact O-CG 2.88Å; N546-R550 PolarHBondContact O-N 2.74Å; P547-R550 PolarHBondContact O-N 3.35Å; R550-G553 CarbonylContact O-C 2.94Å; R550-G553 WeakPolarHBondContact O-CA 3.1Å; R550-G553 PolarHBondContact O-N 2.75Å; R550-Y554 HydrophobicContact CB-CE2 4.49Å; R550-Y554 WeakPolarHBondContact O-CD2 3.33Å; R550-Y554 PolarHBondContact O-N 3.26Å |
| 551 | D | 93.3 | Very high | 90.5 | Very high | 97 Ų | 97 | 73.3 Ų | 73.3 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | -178.3 | -79.5 | -8.7 | 0 | 0 | 0 | 111.2 | P547 G553 Y554 I555 | P547-D551 WeakPolarHBondContact O-CB 3.31Å; P547-D551 PolarHBondContact O-N 2.7Å; D551-G553 VanDerWaalsContact C-N 3.31Å; D551-G553 PolarHBondContact O-N 3.32Å; D551-Y554 PolarHBondContact O-N 2.94Å; D551-I555 WeakPolarHBondContact O-CB 3.5Å; D551-I555 VanDerWaalsContact O-CG1 3.23Å; D551-I555 WeakPolarHBondContact O-CG1 3.44Å; D551-I555 PolarHBondContact O-N 3.44Å |
| 552 | R | 93.5 | Very high | 90.4 | Very high | 97 Ų | 97 | 78.9 Ų | 78.9 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 174.3 | -170.6 | 171.9 | -65.4 | 175.6 | 3.8 | 111.8 | L512 L515 D548 I555 Y556 | L512-R552 HydrophobicContact CD2-CB 4.34Å; L515-R552 HydrophobicContact CD2-CB 4.17Å; L515-R552 HydrophobicContact CD2-CG 4.01Å; D548-R552 VanDerWaalsContact O-CB 3.3Å; D548-R552 WeakPolarHBondContact O-CB 3.41Å; D548-R552 PolarHBondContact O-N 2.9Å; R552-I555 PolarHBondContact O-N 2.86Å; R552-Y556 HydrophobicContact CG-CD2 3.93Å; R552-Y556 HydrophobicContact CG-CE2 3.47Å; R552-Y556 VanDerWaalsContact CG-CE2 3.47Å; R552-Y556 WeakPolarHBondContact O-CD2 3.17Å; R552-Y556 PolarHBondContact O-N 2.62Å |
| 553 | G | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L537 L549 R550 D551 I555 Y556 W557 | L537-G553 WeakPolarHBondContact CD2-O 3.46Å; L549-G553 PolarHBondContact O-N 2.9Å; R550-G553 CarbonylContact O-C 2.94Å; R550-G553 WeakPolarHBondContact O-CA 3.1Å; R550-G553 PolarHBondContact O-N 2.75Å; D551-G553 VanDerWaalsContact C-N 3.31Å; D551-G553 PolarHBondContact O-N 3.32Å; G553-I555 PolarHBondContact O-N 2.65Å; G553-Y556 PolarHBondContact O-N 3.2Å; G553-W557 WeakPolarHBondContact O-CB 3.01Å; G553-W557 PolarHBondContact O-N 2.92Å |
| 554 | Y | 93.6 | Very high | 89.9 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 176.4 | -77.8 | -60.7 | 0 | 0 | 0 | 112.9 | T541 R550 D551 W557 R558 | T541-Y554 HydrophobicContact CG2-CD1 4.03Å; T541-Y554 HydrophobicContact CG2-CD2 4.26Å; T541-Y554 HydrophobicContact CG2-CE1 4.04Å; T541-Y554 HydrophobicContact CG2-CE2 4.25Å; T541-Y554 HydrophobicContact CG2-CG 4.13Å; R550-Y554 HydrophobicContact CB-CE2 4.49Å; R550-Y554 WeakPolarHBondContact O-CD2 3.33Å; R550-Y554 PolarHBondContact O-N 3.26Å; D551-Y554 PolarHBondContact O-N 2.94Å; Y554-W557 HydrophobicContact CD1-CE3 4.19Å; Y554-W557 HydrophobicContact CE1-CE3 4.22Å; Y554-W557 HydrophobicContact CE1-CZ3 4.28Å; Y554-W557 PolarHBondContact O-N 3.39Å; Y554-R558 WeakPolarHBondContact O-CB 3.38Å; Y554-R558 VanDerWaalsContact O-CG 3.24Å; Y554-R558 WeakPolarHBondContact O-CG 3.2Å; Y554-R558 PolarHBondContact O-N 2.83Å |
| 555 | I | 92.4 | Very high | 89.7 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -50.8 | 175.1 | -71.4 | 164.6 | 0 | 0 | 0 | 110 | D551 R552 G553 R558 L559 | D551-I555 WeakPolarHBondContact O-CB 3.5Å; D551-I555 VanDerWaalsContact O-CG1 3.23Å; D551-I555 WeakPolarHBondContact O-CG1 3.44Å; D551-I555 PolarHBondContact O-N 3.44Å; R552-I555 PolarHBondContact O-N 2.86Å; G553-I555 PolarHBondContact O-N 2.65Å; I555-R558 PolarHBondContact O-N 3.35Å; I555-L559 HydrophobicContact CG2-CD1 3.83Å; I555-L559 HydrophobicContact CG2-CG 4.46Å; I555-L559 WeakPolarHBondContact O-CB 3.35Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.94Å |
| 556 | Y | 92.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.8 | -68.7 | -36.7 | 0 | 0 | 0 | 112.2 | L515 T516 V519 R552 G553 R558 L559 L560 V571 | L515-Y556 HydrophobicContact CD1-CD2 4.14Å; L515-Y556 HydrophobicContact CD2-CD2 4.01Å; L515-Y556 HydrophobicContact CD2-CE2 4.22Å; L515-Y556 HydrophobicContact CG-CD2 3.79Å; L515-Y556 HydrophobicContact CG-CE2 3.96Å; T516-Y556 VanDerWaalsContact CG2-OH 3.32Å; T516-Y556 WeakPolarHBondContact CG2-OH 3.25Å; T516-Y556 PolarHBondContact OG1-OH 2.71Å; V519-Y556 HydrophobicContact CB-CD2 4.47Å; V519-Y556 HydrophobicContact CG1-CD1 4.22Å; V519-Y556 HydrophobicContact CG1-CG 4.23Å; V519-Y556 HydrophobicContact CG2-CD2 3.85Å; V519-Y556 HydrophobicContact CG2-CE2 4.46Å; V519-Y556 HydrophobicContact CG2-CG 3.99Å; R552-Y556 HydrophobicContact CG-CD2 3.93Å; R552-Y556 HydrophobicContact CG-CE2 3.47Å; R552-Y556 VanDerWaalsContact CG-CE2 3.47Å; R552-Y556 WeakPolarHBondContact O-CD2 3.17Å; R552-Y556 PolarHBondContact O-N 2.62Å; G553-Y556 PolarHBondContact O-N 3.2Å; Y556-R558 PolarHBondContact O-N 2.93Å; Y556-L559 HydrophobicContact CD1-CD1 4.48Å; Y556-L559 PolarHBondContact O-N 3.42Å; Y556-L560 WeakPolarHBondContact O-CB 3.49Å; Y556-L560 VanDerWaalsContact O-CG 3.23Å; Y556-L560 WeakPolarHBondContact O-CG 3.37Å; Y556-L560 PolarHBondContact O-N 3.13Å; Y556-V571 HydrophobicContact CD1-CG2 3.94Å; Y556-V571 HydrophobicContact CE1-CG2 3.66Å |
| 557 | W | 90.7 | Very high | 89.5 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 176.3 | -173.9 | 4.5 | 0 | 0 | 0 | 111.5 | L537 T541 G553 Y554 L560 S561 | L537-W557 HydrophobicContact CD1-CB 4.24Å; L537-W557 HydrophobicContact CD1-CG 4.49Å; L537-W557 HydrophobicContact CD2-CB 4.3Å; T541-W557 HydrophobicContact CG2-CE3 4.22Å; G553-W557 WeakPolarHBondContact O-CB 3.01Å; G553-W557 PolarHBondContact O-N 2.92Å; Y554-W557 HydrophobicContact CD1-CE3 4.19Å; Y554-W557 HydrophobicContact CE1-CE3 4.22Å; Y554-W557 HydrophobicContact CE1-CZ3 4.28Å; Y554-W557 PolarHBondContact O-N 3.39Å; W557-L560 PolarHBondContact O-N 2.89Å; W557-S561 PolarHBondContact NE1-OG 2.83Å; W557-S561 VanDerWaalsContact O-CB 3.32Å; W557-S561 WeakPolarHBondContact O-CB 3.05Å; W557-S561 PolarHBondContact O-N 3.19Å; W557-S561 PolarHBondContact O-OG 3.14Å |
| 558 | R | 89.9 | Confident | 89.2 | Confident | 170 Ų | 170 | 70.4 Ų | 70.4 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 177.7 | -74.3 | 174.8 | -177.7 | 160.4 | 4 | 112.2 | Y554 I555 Y556 T562 | Y554-R558 WeakPolarHBondContact O-CB 3.38Å; Y554-R558 VanDerWaalsContact O-CG 3.24Å; Y554-R558 WeakPolarHBondContact O-CG 3.2Å; Y554-R558 PolarHBondContact O-N 2.83Å; I555-R558 PolarHBondContact O-N 3.35Å; Y556-R558 PolarHBondContact O-N 2.93Å; R558-T562 WeakPolarHBondContact O-CB 3.4Å; R558-T562 PolarHBondContact O-N 3.33Å; R558-T562 PolarHBondContact O-OG1 3.25Å |
| 559 | L | 88 | Confident | 88.8 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 176.5 | -77.6 | 170.3 | 0 | 0 | 0 | 111 | I555 Y556 S561 T562 D563 A567 V570 | I555-L559 HydrophobicContact CG2-CD1 3.83Å; I555-L559 HydrophobicContact CG2-CG 4.46Å; I555-L559 WeakPolarHBondContact O-CB 3.35Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.94Å; Y556-L559 HydrophobicContact CD1-CD1 4.48Å; Y556-L559 PolarHBondContact O-N 3.42Å; L559-S561 VanDerWaalsContact C-N 3.35Å; L559-S561 PolarHBondContact O-N 3.12Å; L559-T562 PolarHBondContact O-N 2.97Å; L559-D563 CarbonylContact O-C 3.54Å; L559-D563 VanDerWaalsContact O-C 3.26Å; L559-D563 PolarHBondContact O-N 3.34Å; L559-D563 VanDerWaalsContact O-O 3.1Å; L559-A567 HydrophobicContact CB-CB 3.97Å; L559-V570 HydrophobicContact CD1-CG1 4.25Å |
| 560 | L | 87 | Confident | 88.5 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | -179.1 | -67.7 | 174.9 | 0 | 0 | 0 | 113.1 | V519 F522 L523 V533 L537 Y556 W557 A567 | V519-L560 HydrophobicContact CG1-CD1 4.25Å; V519-L560 HydrophobicContact CG1-CD2 4.48Å; V519-L560 HydrophobicContact CG2-CD1 4.45Å; F522-L560 HydrophobicContact CD1-CD1 4.37Å; F522-L560 HydrophobicContact CD1-CD2 3.94Å; F522-L560 HydrophobicContact CE1-CD2 3.98Å; L523-L560 HydrophobicContact CD2-CD2 3.59Å; L523-L560 HydrophobicContact CG-CD2 4.17Å; V533-L560 HydrophobicContact CG1-CD1 4.03Å; L537-L560 HydrophobicContact CD1-CD1 4.36Å; Y556-L560 WeakPolarHBondContact O-CB 3.49Å; Y556-L560 VanDerWaalsContact O-CG 3.23Å; Y556-L560 WeakPolarHBondContact O-CG 3.37Å; Y556-L560 PolarHBondContact O-N 3.13Å; W557-L560 PolarHBondContact O-N 2.89Å; L560-A567 HydrophobicContact CD2-CB 4.05Å |
| 561 | S | 86 | Confident | 88.1 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -81.6 | -27.6 | -178.9 | -52.6 | 0 | 0 | 0 | 0 | 113.6 | W557 L559 | W557-S561 PolarHBondContact NE1-OG 2.83Å; W557-S561 VanDerWaalsContact O-CB 3.32Å; W557-S561 WeakPolarHBondContact O-CB 3.05Å; W557-S561 PolarHBondContact O-N 3.19Å; W557-S561 PolarHBondContact O-OG 3.14Å; L559-S561 VanDerWaalsContact C-N 3.35Å; L559-S561 PolarHBondContact O-N 3.12Å |
| 562 | T | 87.2 | Confident | 87.6 | Confident | 119 Ų | 119 | 71.9 Ų | 71.9 | 73% | 0.73 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -94.6 | -53.6 | -174.6 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | R558 L559 | R558-T562 WeakPolarHBondContact O-CB 3.4Å; R558-T562 PolarHBondContact O-N 3.33Å; R558-T562 PolarHBondContact O-OG1 3.25Å; L559-T562 PolarHBondContact O-N 2.97Å |
| 563 | D | 87 | Confident | 87.1 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | trans | -147.6 | 93.7 | -173 | -173.6 | -11.7 | 0 | 0 | 0 | 110.7 | L559 A565 A566 A567 | L559-D563 CarbonylContact O-C 3.54Å; L559-D563 VanDerWaalsContact O-C 3.26Å; L559-D563 PolarHBondContact O-N 3.34Å; L559-D563 VanDerWaalsContact O-O 3.1Å; D563-A565 PolarHBondContact O-N 2.67Å; D563-A565 WeakPolarHBondContact OD1-CA 3.11Å; D563-A565 WeakPolarHBondContact OD1-CB 3.49Å; D563-A565 PolarHBondContact OD1-N 3.4Å; D563-A566 HydrophobicContact CB-CB 3.86Å; D563-A566 PolarHBondContact O-N 3.01Å; D563-A566 PolarHBondContact OD1-N 2.6Å; D563-A566 WeakPolarHBondContact OD2-CB 3.35Å; D563-A567 PolarHBondContact O-N 2.93Å | ||
| 564 | P | 80.7 | Confident | 86.2 | Confident | 76 Ų | 76 | 79 Ų | 79 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60 | -26.8 | 176.4 | -24.7 | 34.2 | 0 | 0 | 0 | 113.9 | K568 | P564-K568 WeakPolarHBondContact O-CG 3.44Å; P564-K568 PolarHBondContact O-N 2.97Å; P564-K568 VanDerWaalsContact O-N 3.15Å |
| 565 | A | 84.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.8 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D563 A567 K568 E569 | D563-A565 PolarHBondContact O-N 2.67Å; D563-A565 WeakPolarHBondContact OD1-CA 3.11Å; D563-A565 WeakPolarHBondContact OD1-CB 3.49Å; D563-A565 PolarHBondContact OD1-N 3.4Å; A565-A567 VanDerWaalsContact C-N 3.26Å; A565-A567 PolarHBondContact O-N 2.78Å; A565-K568 WeakPolarHBondContact O-CB 2.98Å; A565-K568 PolarHBondContact O-N 2.87Å; A565-K568 VanDerWaalsContact O-N 3.13Å; A565-E569 PolarHBondContact O-N 3.5Å; A565-E569 VanDerWaalsContact O-N 3.11Å |
| 566 | A | 85.9 | Confident | 84.3 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D563 K568 E569 V570 | D563-A566 HydrophobicContact CB-CB 3.86Å; D563-A566 PolarHBondContact O-N 3.01Å; D563-A566 PolarHBondContact OD1-N 2.6Å; D563-A566 WeakPolarHBondContact OD2-CB 3.35Å; A566-K568 VanDerWaalsContact C-N 3.34Å; A566-K568 PolarHBondContact O-N 3.16Å; A566-E569 PolarHBondContact O-N 2.84Å; A566-V570 WeakPolarHBondContact O-CG2 3.07Å; A566-V570 PolarHBondContact O-N 2.87Å |
| 567 | A | 85.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L523 L559 L560 D563 A565 V571 | L523-A567 HydrophobicContact CD1-CB 4.4Å; L523-A567 HydrophobicContact CD2-CB 4.04Å; L559-A567 HydrophobicContact CB-CB 3.97Å; L560-A567 HydrophobicContact CD2-CB 4.05Å; D563-A567 PolarHBondContact O-N 2.93Å; A565-A567 VanDerWaalsContact C-N 3.26Å; A565-A567 PolarHBondContact O-N 2.78Å; A567-V571 VanDerWaalsContact O-CB 3.24Å; A567-V571 WeakPolarHBondContact O-CB 3.3Å; A567-V571 WeakPolarHBondContact O-CG2 3.29Å; A567-V571 PolarHBondContact O-N 3.11Å |
| 568 | K | 85 | Confident | 82.4 | Confident | 98 Ų | 98 | 78 Ų | 78 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 174.4 | -72.2 | -171.3 | -177.8 | -160 | 0 | 111.6 | L523 P564 A565 A566 V570 L572 | L523-K568 HydrophobicContact CB-CG 4.22Å; L523-K568 HydrophobicContact CD2-CG 3.87Å; L523-K568 HydrophobicContact CG-CG 4.43Å; L523-K568 WeakPolarHBondContact O-CE 3.21Å; L523-K568 PolarHBondContact O-NZ 3.27Å; L523-K568 VanDerWaalsContact O-NZ 3.12Å; P564-K568 WeakPolarHBondContact O-CG 3.44Å; P564-K568 PolarHBondContact O-N 2.97Å; P564-K568 VanDerWaalsContact O-N 3.15Å; A565-K568 WeakPolarHBondContact O-CB 2.98Å; A565-K568 PolarHBondContact O-N 2.87Å; A565-K568 VanDerWaalsContact O-N 3.13Å; A566-K568 VanDerWaalsContact C-N 3.34Å; A566-K568 PolarHBondContact O-N 3.16Å; K568-V570 VanDerWaalsContact C-N 3.33Å; K568-V570 PolarHBondContact O-N 2.95Å; K568-L572 HydrophobicContact CB-CD1 4.45Å; K568-L572 HydrophobicContact CG-CD1 4.46Å; K568-L572 WeakPolarHBondContact O-CA 3.49Å; K568-L572 WeakPolarHBondContact O-CB 3.36Å; K568-L572 PolarHBondContact O-N 3.21Å |
| 569 | E | 84.6 | Confident | 81.1 | Confident | 150 Ų | 150 | 73.3 Ų | 73.3 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | -179.3 | -66.9 | -61.3 | 132.1 | 0 | 0 | 112.4 | A565 A566 A573 | A565-E569 PolarHBondContact O-N 3.5Å; A565-E569 VanDerWaalsContact O-N 3.11Å; A566-E569 PolarHBondContact O-N 2.84Å; E569-A573 WeakPolarHBondContact O-CB 3.43Å; E569-A573 PolarHBondContact O-N 2.75Å |
| 570 | V | 85.4 | Confident | 79.8 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.8 | -47.3 | -178.7 | 174 | 0 | 0 | 0 | 0 | 112 | L559 A566 K568 A573 | L559-V570 HydrophobicContact CD1-CG1 4.25Å; A566-V570 WeakPolarHBondContact O-CG2 3.07Å; A566-V570 PolarHBondContact O-N 2.87Å; K568-V570 VanDerWaalsContact C-N 3.33Å; K568-V570 PolarHBondContact O-N 2.95Å; V570-A573 WeakPolarHBondContact O-CB 3Å |
| 571 | V | 84.6 | Confident | 78.2 | Confident | 14 Ų | 14 | 81.7 Ų | 81.7 | 9% | 0.085 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -80.6 | -33.9 | -171.3 | -179.2 | 0 | 0 | 0 | 0 | 112 | V519 K520 L523 Y556 A567 | V519-V571 HydrophobicContact CG1-CG1 4.18Å; V519-V571 HydrophobicContact CG1-CG2 4.26Å; K520-V571 VanDerWaalsContact CE-O 3.26Å; K520-V571 WeakPolarHBondContact CE-O 3.12Å; K520-V571 HydrophobicContact CG-CG1 3.58Å; L523-V571 HydrophobicContact CD1-CB 3.68Å; L523-V571 HydrophobicContact CD1-CG1 3.99Å; L523-V571 HydrophobicContact CD1-CG2 4.02Å; Y556-V571 HydrophobicContact CD1-CG2 3.94Å; Y556-V571 HydrophobicContact CE1-CG2 3.66Å; A567-V571 VanDerWaalsContact O-CB 3.24Å; A567-V571 WeakPolarHBondContact O-CB 3.3Å; A567-V571 WeakPolarHBondContact O-CG2 3.29Å; A567-V571 PolarHBondContact O-N 3.11Å |
| 572 | L | 83.8 | Confident | 76.9 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 13 | 178.5 | -53.1 | 178.3 | 0 | 0 | 0 | 112.5 | K520 L523 K524 K568 | K520-L572 HydrophobicContact CB-CD2 4.26Å; K520-L572 HydrophobicContact CD-CD2 4.48Å; K520-L572 HydrophobicContact CG-CD2 3.87Å; L523-L572 HydrophobicContact CB-CD1 4.34Å; K524-L572 HydrophobicContact CG-CD1 4.38Å; K568-L572 HydrophobicContact CB-CD1 4.45Å; K568-L572 HydrophobicContact CG-CD1 4.46Å; K568-L572 WeakPolarHBondContact O-CA 3.49Å; K568-L572 WeakPolarHBondContact O-CB 3.36Å; K568-L572 PolarHBondContact O-N 3.21Å |
| 573 | A | 82 | Confident | 75.9 | Confident | 49 Ų | 49 | 81 Ų | 81 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 142.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E569 V570 K575 | E569-A573 WeakPolarHBondContact O-CB 3.43Å; E569-A573 PolarHBondContact O-N 2.75Å; V570-A573 WeakPolarHBondContact O-CB 3Å; A573-K575 PolarHBondContact O-N 3.2Å |
| 574 | E | 73.6 | Confident | 75.3 | Confident | 196 Ų | 196 | 81 Ų | 81 | 92% | 0.916 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -59 | 127 | 173 | -70.1 | -170.7 | 171.6 | 0 | 0 | 110.2 | ||
| 575 | K | 73.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 146.6 | -179.3 | -67.5 | 175.3 | -167.1 | 136.7 | 0 | 110.3 | W480 E484 A573 L577 | W480-K575 HydrophobicContact CZ2-CD 3.81Å; W480-K575 VanDerWaalsContact NE1-NZ 3.11Å; E484-K575 IonicContact OE1-NZ 3.31Å; E484-K575 PolarHBondContact OE1-NZ 3.36Å; E484-K575 IonicContact OE2-NZ 3.23Å; E484-K575 PolarHBondContact OE2-NZ 3.44Å; A573-K575 PolarHBondContact O-N 3.2Å; K575-L577 PolarHBondContact O-N 2.75Å |
| 576 | P | 74.7 | Confident | 75.4 | Confident | 99 Ų | 99 | 81.6 Ų | 81.6 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 132.5 | 171.5 | 24.9 | -32.6 | 0 | 0 | 0 | 109.7 | R449 | R449-P576 PolarHBondContact NH2-O 2.87Å; R449-P576 VanDerWaalsContact NH2-O 3.09Å |
| 577 | L | 71.6 | Confident | 75.3 | Confident | 109 Ų | 109 | 84.4 Ų | 84.4 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 140.3 | 173.2 | -61.1 | 176.5 | 0 | 0 | 0 | 109 | R449 K575 S579 | R449-L577 VanDerWaalsContact O-CD2 3.29Å; R449-L577 WeakPolarHBondContact O-CD2 3.25Å; K575-L577 PolarHBondContact O-N 2.75Å; L577-S579 PolarHBondContact O-N 3.3Å |
| 578 | I | 71.2 | Confident | 75.4 | Confident | 33 Ų | 33 | 87 Ų | 87 | 17% | 0.169 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 129.8 | 174.8 | -58.9 | 175.8 | 0 | 0 | 0 | 108.7 | D446 R449 K450 | D446-I578 HydrophobicContact CB-CD1 3.66Å; R449-I578 HydrophobicContact CB-CD1 3.78Å; R449-I578 HydrophobicContact CB-CG1 4.03Å; R449-I578 HydrophobicContact CG-CD1 4.43Å; K450-I578 PolarHBondContact NZ-O 2.87Å |
| 579 | S | 61.8 | Low | 75.6 | Confident | 72 Ų | 72 | 84 Ų | 84 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 153.9 | 174 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | L577 E581 | L577-S579 PolarHBondContact O-N 3.3Å; S579-E581 VanDerWaalsContact C-N 3.3Å; S579-E581 PolarHBondContact O-N 2.76Å |
| 580 | E | 61.8 | Low | 75.8 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -66.3 | -30 | 177.1 | -175 | -174.3 | 171.1 | 0 | 0 | 112.8 | K413 T582 | K413-E580 VanDerWaalsContact CD-OE1 3.24Å; K413-E580 WeakPolarHBondContact CD-OE1 3.24Å; K413-E580 WeakPolarHBondContact CE-OE1 3.48Å; K413-E580 IonicContact NZ-OE1 3.01Å; K413-E580 PolarHBondContact NZ-OE1 3.46Å; K413-E580 VanDerWaalsContact NZ-OE1 3.13Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 2.91Å; E580-T582 VanDerWaalsContact O-N 3.12Å |
| 581 | E | 53.3 | Low | 76 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -77.2 | 0.2 | -156.4 | -62.1 | -175.6 | 158.1 | 0 | 0 | 116.1 | S579 D583 M584 | S579-E581 VanDerWaalsContact C-N 3.3Å; S579-E581 PolarHBondContact O-N 2.76Å; E581-D583 PolarHBondContact O-N 3.17Å; E581-M584 PolarHBondContact O-N 3.49Å; E581-M584 VanDerWaalsContact O-N 3.13Å |
| 582 | T | 57.7 | Low | 76.2 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 69% | 0.693 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.2 | -170.6 | -42 | 0 | 0 | 0 | 0 | 114 | E580 | E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 2.91Å; E580-T582 VanDerWaalsContact O-N 3.12Å |
| 583 | D | 66.6 | Low | 76.5 | Confident | 70 Ų | 70 | 72 Ų | 72 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -106.2 | 13.8 | -175.9 | -69.9 | 7 | 0 | 0 | 0 | 113.7 | R374 R409 E581 | R374-D583 PolarHBondContact NH1-O 3.43Å; R374-D583 VanDerWaalsContact NH1-O 3.13Å; R374-D583 PolarHBondContact NH2-O 3.48Å; R409-D583 IonicContact CZ-OD2 3.54Å; R409-D583 IonicContact NH1-OD2 2.98Å; R409-D583 PolarHBondContact NH1-OD2 2.94Å; R409-D583 IonicContact NH2-OD1 2.75Å; R409-D583 IonicContact NH2-OD2 3.63Å; R409-D583 PolarHBondContact NH2-OD2 3.48Å; E581-D583 PolarHBondContact O-N 3.17Å |
| 584 | M | 73.6 | Confident | 77 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 138.3 | 175.3 | -64 | -62.5 | -63.6 | 0 | 0 | 110.1 | Q341 R374 E581 | Q341-M584 HydrophobicContact CB-CE 4.03Å; Q341-M584 HydrophobicContact CG-CE 3.85Å; Q341-M584 HydrophobicContact CG-SD 4.36Å; R374-M584 PolarHBondContact NH1-SD 3.04Å; E581-M584 PolarHBondContact O-N 3.49Å; E581-M584 VanDerWaalsContact O-N 3.13Å |
| 585 | L | 82.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 146.1 | 168.7 | -70.7 | 165.6 | 0 | 0 | 0 | 109.4 | L338 Q341 L589 L590 L593 H605 | L338-L585 HydrophobicContact CD2-CD1 3.38Å; Q341-L585 VanDerWaalsContact OE1-N 3.16Å; L585-L589 HydrophobicContact CD2-CD2 3.98Å; L585-L590 HydrophobicContact CB-CB 4.39Å; L585-L593 HydrophobicContact CD1-CD1 4.02Å; L585-H605 HydrophobicContact CD1-CB 4.42Å |
| 586 | E | 85.1 | Confident | 78.5 | Confident | 111 Ų | 111 | 59.1 Ų | 59.1 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134 | 172.9 | -162.4 | -127.9 | 131.6 | 0 | 0 | 109.5 | T588 L589 L590 | E586-T588 VanDerWaalsContact C-N 3.25Å; E586-T588 PolarHBondContact O-N 2.88Å; E586-T588 VanDerWaalsContact O-N 3.14Å; E586-T588 WeakPolarHBondContact OE1-CB 3.31Å; E586-T588 VanDerWaalsContact OE1-CG2 3.27Å; E586-T588 WeakPolarHBondContact OE1-CG2 3.48Å; E586-T588 PolarHBondContact OE1-OG1 3.33Å; E586-T588 PolarHBondContact OE2-OG1 2.97Å; E586-T588 VanDerWaalsContact OE2-OG1 3.1Å; E586-L589 HydrophobicContact CB-CB 4.33Å; E586-L589 PolarHBondContact O-N 3.39Å; E586-L589 VanDerWaalsContact O-N 3.09Å; E586-L590 PolarHBondContact O-N 3.14Å |
| 587 | P | 84.6 | Confident | 79.3 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 60% | 0.597 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.9 | -35.6 | -172.7 | -30.6 | 36.6 | 0 | 0 | 0 | 114.6 | L590 D591 | P587-L590 PolarHBondContact O-N 3.11Å; P587-D591 PolarHBondContact O-N 2.97Å |
| 588 | T | 86.8 | Confident | 80.2 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 179.4 | 73 | 0 | 0 | 0 | 0 | 111.9 | E586 D591 E592 | E586-T588 VanDerWaalsContact C-N 3.25Å; E586-T588 PolarHBondContact O-N 2.88Å; E586-T588 VanDerWaalsContact O-N 3.14Å; E586-T588 WeakPolarHBondContact OE1-CB 3.31Å; E586-T588 VanDerWaalsContact OE1-CG2 3.27Å; E586-T588 WeakPolarHBondContact OE1-CG2 3.48Å; E586-T588 PolarHBondContact OE1-OG1 3.33Å; E586-T588 PolarHBondContact OE2-OG1 2.97Å; E586-T588 VanDerWaalsContact OE2-OG1 3.1Å; T588-D591 PolarHBondContact O-N 2.91Å; T588-E592 PolarHBondContact O-N 3.44Å |
| 589 | L | 88.4 | Confident | 81.1 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.9 | 177.3 | 61 | 0 | 0 | 0 | 111.4 | L585 E586 D591 E592 L593 P607 | L585-L589 HydrophobicContact CD2-CD2 3.98Å; E586-L589 HydrophobicContact CB-CB 4.33Å; E586-L589 PolarHBondContact O-N 3.39Å; E586-L589 VanDerWaalsContact O-N 3.09Å; L589-D591 VanDerWaalsContact C-N 3.34Å; L589-D591 PolarHBondContact O-N 3.37Å; L589-E592 PolarHBondContact O-N 3.48Å; L589-L593 HydrophobicContact CD1-CD1 4.09Å; L589-L593 HydrophobicContact CD1-CG 4.04Å; L589-L593 HydrophobicContact CG-CD1 3.95Å; L589-L593 HydrophobicContact CG-CG 4.33Å; L589-L593 WeakPolarHBondContact O-CB 3.41Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.04Å; L589-P607 HydrophobicContact CD1-CB 4.17Å; L589-P607 HydrophobicContact CD1-CG 4.3Å |
| 590 | L | 89 | Confident | 82.4 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.2 | 178.4 | 61.1 | 0 | 0 | 0 | 111.2 | L338 Q341 K342 L585 E586 P587 E592 L593 I594 | L338-L590 HydrophobicContact CB-CD1 4.25Å; L338-L590 HydrophobicContact CD2-CD1 3.94Å; Q341-L590 HydrophobicContact CB-CD1 4.1Å; Q341-L590 HydrophobicContact CB-CD2 3.85Å; K342-L590 HydrophobicContact CB-CD2 4.35Å; L585-L590 HydrophobicContact CB-CB 4.39Å; E586-L590 PolarHBondContact O-N 3.14Å; P587-L590 PolarHBondContact O-N 3.11Å; L590-E592 VanDerWaalsContact C-N 3.31Å; L590-E592 PolarHBondContact O-N 3.3Å; L590-L593 PolarHBondContact O-N 3.16Å; L590-I594 HydrophobicContact CD1-CD1 4.17Å; L590-I594 HydrophobicContact CD1-CG1 4.38Å; L590-I594 HydrophobicContact CG-CD1 4.01Å; L590-I594 WeakPolarHBondContact O-CD1 3.41Å; L590-I594 VanDerWaalsContact O-CG1 3.24Å; L590-I594 WeakPolarHBondContact O-CG1 3.22Å; L590-I594 PolarHBondContact O-N 3.4Å |
| 591 | D | 89.6 | Confident | 83.8 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.219 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 178.2 | -74.3 | -7.5 | 0 | 0 | 0 | 111.9 | K342 P587 T588 L589 C595 L622 | K342-D591 IonicContact NZ-OD1 2.91Å; K342-D591 PolarHBondContact NZ-OD1 3.25Å; K342-D591 IonicContact NZ-OD2 2.75Å; K342-D591 PolarHBondContact NZ-OD2 2.96Å; P587-D591 PolarHBondContact O-N 2.97Å; T588-D591 PolarHBondContact O-N 2.91Å; L589-D591 VanDerWaalsContact C-N 3.34Å; L589-D591 PolarHBondContact O-N 3.37Å; D591-C595 PolarHBondContact O-N 3.47Å; D591-C595 PolarHBondContact O-SG 2.96Å; D591-C595 VanDerWaalsContact O-SG 3.4Å; D591-L622 HydrophobicContact CB-CB 4.21Å; D591-L622 HydrophobicContact CB-CD1 3.83Å; D591-L622 HydrophobicContact CB-CG 4.13Å; D591-L622 WeakPolarHBondContact OD1-CD1 3.25Å |
| 592 | E | 89.1 | Confident | 85.6 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 172.8 | -178.7 | 173 | 163.2 | 0 | 0 | 112.1 | T588 L589 L590 I594 C595 H596 P607 R619 R620 | T588-E592 PolarHBondContact O-N 3.44Å; L589-E592 PolarHBondContact O-N 3.48Å; L590-E592 VanDerWaalsContact C-N 3.31Å; L590-E592 PolarHBondContact O-N 3.3Å; E592-I594 VanDerWaalsContact C-N 3.28Å; E592-I594 PolarHBondContact O-N 3.34Å; E592-C595 WeakPolarHBondContact O-CB 3.27Å; E592-C595 PolarHBondContact O-N 2.74Å; E592-C595 VanDerWaalsContact O-N 3.09Å; E592-H596 PolarHBondContact O-CD2 3.42Å; E592-H596 VanDerWaalsContact O-CD2 3.23Å; E592-H596 PolarHBondContact O-N 3.15Å; E592-P607 WeakPolarHBondContact OE1-CB 3.3Å; E592-R619 WeakPolarHBondContact OE2-CG 3.33Å; E592-R619 IonicContact OE2-NE 3.13Å; E592-R619 PolarHBondContact OE2-NE 2.87Å; E592-R620 VanDerWaalsContact CA-O 3.29Å; E592-R620 WeakPolarHBondContact CA-O 3.33Å; E592-R620 WeakPolarHBondContact CG-O 3.05Å |
| 593 | L | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -29 | -179 | -70.9 | 174.4 | 0 | 0 | 0 | 113.3 | L338 L585 L589 L590 C595 H596 L597 A601 H605 R606 | L338-L593 HydrophobicContact CD1-CB 3.95Å; L338-L593 HydrophobicContact CD2-CB 4.28Å; L338-L593 HydrophobicContact CD2-CD1 3.94Å; L585-L593 HydrophobicContact CD1-CD1 4.02Å; L589-L593 HydrophobicContact CD1-CD1 4.09Å; L589-L593 HydrophobicContact CD1-CG 4.04Å; L589-L593 HydrophobicContact CG-CD1 3.95Å; L589-L593 HydrophobicContact CG-CG 4.33Å; L589-L593 WeakPolarHBondContact O-CB 3.41Å; L589-L593 VanDerWaalsContact O-CG 3.27Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.04Å; L590-L593 PolarHBondContact O-N 3.16Å; L593-C595 VanDerWaalsContact C-N 3.3Å; L593-H596 CarbonylContact O-C 3.57Å; L593-H596 WeakPolarHBondContact O-CA 3.19Å; L593-H596 PolarHBondContact O-N 2.83Å; L593-L597 PolarHBondContact O-N 3.38Å; L593-A601 HydrophobicContact CD2-CB 4.29Å; L593-A601 WeakPolarHBondContact CD2-O 3.45Å; L593-H605 HydrophobicContact CD1-CB 4.41Å; L593-R606 WeakPolarHBondContact CD2-O 3.4Å |
| 594 | I | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 173.7 | -70.8 | 164.8 | 0 | 0 | 0 | 111.1 | M294 K342 L590 E592 H596 L597 L622 | M294-I594 HydrophobicContact CB-CG2 3.96Å; K342-I594 HydrophobicContact CB-CD1 3.54Å; K342-I594 HydrophobicContact CD-CD1 3.8Å; K342-I594 HydrophobicContact CG-CD1 3.61Å; L590-I594 HydrophobicContact CD1-CD1 4.17Å; L590-I594 HydrophobicContact CD1-CG1 4.38Å; L590-I594 HydrophobicContact CG-CD1 4.01Å; L590-I594 WeakPolarHBondContact O-CD1 3.41Å; L590-I594 VanDerWaalsContact O-CG1 3.24Å; L590-I594 WeakPolarHBondContact O-CG1 3.22Å; L590-I594 PolarHBondContact O-N 3.4Å; E592-I594 VanDerWaalsContact C-N 3.28Å; E592-I594 PolarHBondContact O-N 3.34Å; I594-H596 PolarHBondContact O-N 3.42Å; I594-L597 HydrophobicContact CG2-CD1 4.45Å; I594-L597 WeakPolarHBondContact O-CG 3.49Å; I594-L597 PolarHBondContact O-N 3.02Å; I594-L622 HydrophobicContact CB-CD1 4.19Å; I594-L622 HydrophobicContact CD1-CD1 4.14Å; I594-L622 HydrophobicContact CG2-CD1 4.1Å; I594-L622 HydrophobicContact CG2-CD2 4.19Å |
| 595 | C | 89.4 | Confident | 89.3 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -16.5 | 172.4 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | K291 D591 E592 L593 R620 | K291-C595 WeakPolarHBondContact CD-O 3.25Å; D591-C595 PolarHBondContact O-N 3.47Å; D591-C595 PolarHBondContact O-SG 2.96Å; D591-C595 VanDerWaalsContact O-SG 3.4Å; E592-C595 WeakPolarHBondContact O-CB 3.27Å; E592-C595 PolarHBondContact O-N 2.74Å; E592-C595 VanDerWaalsContact O-N 3.09Å; L593-C595 VanDerWaalsContact C-N 3.3Å; C595-R620 HydrophobicContact CB-CB 3.8Å |
| 596 | H | 89.6 | Confident | 89.7 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 22.5 | -177.3 | -68.1 | -66.3 | 0 | 0 | 0 | 113.5 | E592 L593 I594 S599 A601 S602 | E592-H596 PolarHBondContact O-CD2 3.42Å; E592-H596 VanDerWaalsContact O-CD2 3.23Å; E592-H596 PolarHBondContact O-N 3.15Å; L593-H596 CarbonylContact O-C 3.57Å; L593-H596 WeakPolarHBondContact O-CA 3.19Å; L593-H596 PolarHBondContact O-N 2.83Å; I594-H596 PolarHBondContact O-N 3.42Å; H596-S599 VanDerWaalsContact O-CB 3.28Å; H596-S599 WeakPolarHBondContact O-CB 3.5Å; H596-S599 PolarHBondContact O-N 2.93Å; H596-S599 PolarHBondContact O-OG 3.4Å; H596-A601 HydrophobicContact CB-CB 4.2Å; H596-S602 WeakPolarHBondContact O-CB 3.33Å; H596-S602 PolarHBondContact O-OG 3.15Å |
| 597 | L | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 151 | 171.2 | -69 | 175.1 | 0 | 0 | 0 | 111.5 | V290 K291 M294 N335 L338 I339 L593 I594 S599 | V290-L597 HydrophobicContact CG1-CD1 4.42Å; K291-L597 HydrophobicContact CB-CB 3.95Å; K291-L597 HydrophobicContact CD-CB 4.42Å; K291-L597 HydrophobicContact CG-CB 4.2Å; M294-L597 HydrophobicContact CG-CD1 4.4Å; N335-L597 HydrophobicContact CB-CD2 4.05Å; N335-L597 WeakPolarHBondContact OD1-CA 3.33Å; N335-L597 VanDerWaalsContact OD1-CD2 3.25Å; N335-L597 WeakPolarHBondContact OD1-CD2 3.33Å; L338-L597 HydrophobicContact CB-CD2 4.38Å; L338-L597 HydrophobicContact CD1-CD2 4.11Å; I339-L597 HydrophobicContact CD1-CD1 4.14Å; I339-L597 HydrophobicContact CG1-CD1 3.94Å; I339-L597 HydrophobicContact CG1-CD2 4.31Å; L593-L597 PolarHBondContact O-N 3.38Å; I594-L597 HydrophobicContact CG2-CD1 4.45Å; I594-L597 WeakPolarHBondContact O-CG 3.49Å; I594-L597 PolarHBondContact O-N 3.02Å; L597-S599 VanDerWaalsContact C-N 3.26Å; L597-S599 PolarHBondContact O-N 2.64Å |
| 598 | A | 89.4 | Confident | 89.5 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 17.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | L287 N335 | L287-A598 HydrophobicContact CB-CB 3.69Å; L287-A598 HydrophobicContact CD1-CB 4.47Å; N335-A598 PolarHBondContact OD1-N 2.91Å |
| 599 | S | 90.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -120.6 | 171.2 | 178.1 | 81.4 | 0 | 0 | 0 | 0 | 112.7 | H596 L597 A601 S602 V603 | H596-S599 VanDerWaalsContact O-CB 3.28Å; H596-S599 WeakPolarHBondContact O-CB 3.5Å; H596-S599 PolarHBondContact O-N 2.93Å; H596-S599 PolarHBondContact O-OG 3.4Å; L597-S599 VanDerWaalsContact C-N 3.26Å; L597-S599 PolarHBondContact O-N 2.64Å; S599-A601 PolarHBondContact O-N 3.21Å; S599-A601 PolarHBondContact OG-N 3.4Å; S599-S602 PolarHBondContact N-OG 3.44Å; S599-S602 PolarHBondContact O-N 3.08Å; S599-S602 PolarHBondContact O-OG 2.68Å; S599-V603 WeakPolarHBondContact O-CG2 3.5Å; S599-V603 PolarHBondContact O-N 3.33Å |
| 600 | L | 89.6 | Confident | 88.8 | Confident | 98 Ų | 98 | 37.6 Ų | 37.6 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.8 | -34.2 | 174.1 | -68.5 | 173.5 | 0 | 0 | 0 | 112.3 | S602 V603 Y604 | L600-S602 VanDerWaalsContact C-N 3.32Å; L600-S602 PolarHBondContact O-N 3.1Å; L600-V603 PolarHBondContact O-N 3.28Å; L600-V603 VanDerWaalsContact O-N 3.14Å; L600-Y604 HydrophobicContact CB-CD2 4.32Å; L600-Y604 HydrophobicContact CD2-CE2 4.15Å; L600-Y604 VanDerWaalsContact O-CD2 3.29Å; L600-Y604 WeakPolarHBondContact O-CD2 3.34Å; L600-Y604 PolarHBondContact O-N 2.94Å |
| 601 | A | 89.5 | Confident | 88.4 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L593 H596 S599 H605 R606 P608 F611 | L593-A601 HydrophobicContact CD2-CB 4.29Å; L593-A601 WeakPolarHBondContact CD2-O 3.45Å; H596-A601 HydrophobicContact CB-CB 4.2Å; S599-A601 PolarHBondContact O-N 3.21Å; S599-A601 PolarHBondContact OG-N 3.4Å; A601-H605 WeakPolarHBondContact O-CA 3.41Å; A601-H605 PolarHBondContact O-N 3.49Å; A601-R606 CarbonylContact C-O 3.44Å; A601-R606 VanDerWaalsContact CA-O 3.28Å; A601-R606 WeakPolarHBondContact CA-O 3.35Å; A601-R606 VanDerWaalsContact CB-O 3.25Å; A601-R606 WeakPolarHBondContact CB-O 3.31Å; A601-R606 PolarHBondContact O-N 3.02Å; A601-R606 VanDerWaalsContact O-N 3.15Å; A601-P608 HydrophobicContact CB-CB 4.39Å; A601-P608 HydrophobicContact CB-CG 3.94Å; A601-F611 HydrophobicContact CB-CE2 4.43Å |
| 602 | S | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.9 | -25.7 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | N335 H596 S599 L600 H605 | N335-S602 WeakPolarHBondContact OD1-CB 3.34Å; N335-S602 PolarHBondContact OD1-OG 3.47Å; H596-S602 WeakPolarHBondContact O-CB 3.33Å; H596-S602 PolarHBondContact O-OG 3.15Å; S599-S602 PolarHBondContact N-OG 3.44Å; S599-S602 PolarHBondContact O-N 3.08Å; S599-S602 PolarHBondContact O-OG 2.68Å; L600-S602 VanDerWaalsContact C-N 3.32Å; L600-S602 PolarHBondContact O-N 3.1Å; S602-H605 PolarHBondContact O-CD2 3.49Å; S602-H605 PolarHBondContact O-NE2 3.4Å |
| 603 | V | 92.4 | Very high | 86.1 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.3 | -41.5 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | Y330 V331 R334 S599 L600 | Y330-V603 HydrophobicContact CE1-CG1 4.26Å; V331-V603 HydrophobicContact CB-CG2 4.42Å; V331-V603 HydrophobicContact CG1-CG2 3.89Å; V331-V603 HydrophobicContact CG2-CG2 4.24Å; R334-V603 VanDerWaalsContact CD-O 3.3Å; R334-V603 WeakPolarHBondContact CD-O 3.34Å; R334-V603 HydrophobicContact CG-CG1 4.36Å; R334-V603 PolarHBondContact NE-O 3.26Å; R334-V603 PolarHBondContact NH1-O 2.98Å; R334-V603 PolarHBondContact NH2-O 3.23Å; S599-V603 WeakPolarHBondContact O-CG2 3.5Å; S599-V603 PolarHBondContact O-N 3.33Å; L600-V603 PolarHBondContact O-N 3.28Å; L600-V603 VanDerWaalsContact O-N 3.14Å |
| 604 | Y | 92 | Very high | 84.3 | Confident | 135 Ų | 135 | 54.4 Ų | 54.4 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -86.7 | -7.2 | -179.4 | -77.1 | -74.2 | 0 | 0 | 0 | 113.8 | L600 R606 F611 | L600-Y604 HydrophobicContact CB-CD2 4.32Å; L600-Y604 HydrophobicContact CD2-CE2 4.15Å; L600-Y604 VanDerWaalsContact O-CD2 3.29Å; L600-Y604 WeakPolarHBondContact O-CD2 3.34Å; L600-Y604 PolarHBondContact O-N 2.94Å; Y604-R606 PolarHBondContact O-N 3.42Å; Y604-F611 AromaticContact CD2-CE1 3.72Å; Y604-F611 HydrophobicContact CD2-CE1 3.72Å; Y604-F611 AromaticContact CD2-CZ 3.79Å; Y604-F611 HydrophobicContact CD2-CZ 3.79Å; Y604-F611 HydrophobicContact CE2-CE1 4.31Å; Y604-F611 HydrophobicContact CG-CE1 4.08Å; Y604-F611 AromaticContact CG-CZ 3.91Å; Y604-F611 HydrophobicContact CG-CZ 3.91Å |
| 605 | H | 92.3 | Very high | 82.3 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 13% | 0.125 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 42.9 | -172.7 | -58.5 | 158.9 | 0 | 0 | 0 | 112 | R334 L585 L593 A601 S602 | R334-H605 PolarHBondContact NH1-CE1 2.85Å; R334-H605 PolarHBondContact NH1-ND1 3.02Å; R334-H605 PolarHBondContact O-NE2 2.85Å; L585-H605 HydrophobicContact CD1-CB 4.42Å; L593-H605 HydrophobicContact CD1-CB 4.41Å; A601-H605 WeakPolarHBondContact O-CA 3.41Å; A601-H605 PolarHBondContact O-N 3.49Å; S602-H605 PolarHBondContact O-CD2 3.49Å; S602-H605 PolarHBondContact O-NE2 3.4Å |
| 606 | R | 89.4 | Confident | 80.5 | Confident | 157 Ų | 157 | 68.7 Ų | 68.7 | 59% | 0.592 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -132.9 | 143.6 | 179 | -66.9 | -65.7 | -173.1 | 170.8 | 1.6 | 109.7 | L593 A601 Y604 F611 | L593-R606 WeakPolarHBondContact CD2-O 3.4Å; A601-R606 CarbonylContact C-O 3.44Å; A601-R606 VanDerWaalsContact CA-O 3.28Å; A601-R606 WeakPolarHBondContact CA-O 3.35Å; A601-R606 VanDerWaalsContact CB-O 3.25Å; A601-R606 WeakPolarHBondContact CB-O 3.31Å; A601-R606 PolarHBondContact O-N 3.02Å; A601-R606 VanDerWaalsContact O-N 3.15Å; Y604-R606 PolarHBondContact O-N 3.42Å; R606-F611 HydrophobicContact CB-CE2 3.85Å; R606-F611 HydrophobicContact CB-CZ 3.93Å |
| 607 | P | 85.1 | Confident | 78.6 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 16% | 0.156 | 36% | 0.359 | C | S | . | . | trans | -63.9 | 153.8 | 179.4 | 29.4 | -34.5 | 0 | 0 | 0 | 110.3 | L589 E592 S609 S610 | L589-P607 HydrophobicContact CD1-CB 4.17Å; L589-P607 HydrophobicContact CD1-CG 4.3Å; E592-P607 WeakPolarHBondContact OE1-CB 3.3Å; P607-S609 PolarHBondContact O-N 3.04Å; P607-S609 VanDerWaalsContact O-N 3.1Å; P607-S610 WeakPolarHBondContact O-CB 3.44Å; P607-S610 PolarHBondContact O-N 3.43Å | ||
| 608 | P | 80.6 | Confident | 76.6 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -62.9 | -22.5 | -176.7 | -11.2 | 21.7 | 0 | 0 | 0 | 113.3 | A601 S610 F611 V612 V617 | A601-P608 HydrophobicContact CB-CB 4.39Å; A601-P608 HydrophobicContact CB-CG 3.94Å; P608-S610 PolarHBondContact O-N 3.08Å; P608-F611 PolarHBondContact O-N 2.91Å; P608-F611 VanDerWaalsContact O-N 3.08Å; P608-V612 PolarHBondContact O-N 3.47Å; P608-V617 HydrophobicContact CB-CG1 3.61Å; P608-V617 HydrophobicContact CG-CG1 4.06Å |
| 609 | S | 79.4 | Confident | 74.7 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -63.4 | -22.6 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | P607 F611 | P607-S609 PolarHBondContact O-N 3.04Å; P607-S609 VanDerWaalsContact O-N 3.1Å; S609-F611 VanDerWaalsContact C-N 3.26Å; S609-F611 PolarHBondContact O-N 3.12Å |
| 610 | S | 81.6 | Confident | 73.2 | Confident | 78 Ų | 78 | 80.8 Ų | 80.8 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -73.6 | -15.5 | 174.5 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | P607 P608 | P607-S610 WeakPolarHBondContact O-CB 3.44Å; P607-S610 PolarHBondContact O-N 3.43Å; P608-S610 PolarHBondContact O-N 3.08Å |
| 611 | F | 80.2 | Confident | 71.7 | Confident | 94 Ų | 94 | 81.4 Ų | 81.4 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -26.9 | -177.5 | -59.1 | -84.8 | 0 | 0 | 0 | 113.3 | A601 Y604 R606 P608 S609 | A601-F611 HydrophobicContact CB-CE2 4.43Å; Y604-F611 AromaticContact CD2-CE1 3.72Å; Y604-F611 HydrophobicContact CD2-CE1 3.72Å; Y604-F611 AromaticContact CD2-CZ 3.79Å; Y604-F611 HydrophobicContact CD2-CZ 3.79Å; Y604-F611 HydrophobicContact CE2-CE1 4.31Å; Y604-F611 HydrophobicContact CG-CE1 4.08Å; Y604-F611 AromaticContact CG-CZ 3.91Å; Y604-F611 HydrophobicContact CG-CZ 3.91Å; R606-F611 HydrophobicContact CB-CE2 3.85Å; R606-F611 HydrophobicContact CB-CZ 3.93Å; P608-F611 PolarHBondContact O-N 2.91Å; P608-F611 VanDerWaalsContact O-N 3.08Å; S609-F611 VanDerWaalsContact C-N 3.26Å; S609-F611 PolarHBondContact O-N 3.12Å |
| 612 | V | 68.5 | Low | 70.2 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | trans | -137 | 117 | -172.9 | -171.1 | 0 | 0 | 0 | 0 | 109 | P608 G614 | P608-V612 PolarHBondContact O-N 3.47Å; V612-G614 PolarHBondContact O-N 3.06Å | ||
| 613 | E | 62.6 | Low | 68.5 | Low | 202 Ų | 202 | 83.5 Ų | 83.5 | 94% | 0.944 | 41% | 0.414 | S | S | * | . | trans | -74.2 | 117.7 | 166.9 | -69 | -179.4 | 175 | 0 | 0 | 109.1 | ||||
| 614 | G | 52.6 | Low | 66.5 | Low | 54 Ų | 54 | 87 Ų | 87 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 169.9 | 148.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V612 H616 | V612-G614 PolarHBondContact O-N 3.06Å; G614-H616 PolarHBondContact O-N 2.88Å |
| 615 | R | 49.4 | Very low | 64.5 | Low | 242 Ų | 242 | 87.2 Ų | 87.2 | 91% | 0.913 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -6 | -176.4 | -72.6 | -174.9 | 178.8 | -171.6 | -0.9 | 115.4 | ||
| 616 | H | 51.7 | Low | 61.9 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 34% | 0.338 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.1 | -168 | -66.7 | -84.1 | 0 | 0 | 0 | 115.3 | E216 N219 G614 A618 | E216-H616 WeakPolarHBondContact O-CB 3.49Å; E216-H616 PolarHBondContact O-ND1 3.27Å; E216-H616 VanDerWaalsContact O-ND1 3.16Å; N219-H616 PolarHBondContact OD1-CE1 2.76Å; N219-H616 PolarHBondContact OD1-NE2 2.9Å; G614-H616 PolarHBondContact O-N 2.88Å; H616-A618 PolarHBondContact O-N 3.21Å |
| 617 | V | 49.1 | Very low | 59.2 | Low | 45 Ų | 45 | 91.5 Ų | 91.5 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | trans | -73.7 | 82 | 161.4 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | P608 R619 | P608-V617 HydrophobicContact CB-CG1 3.61Å; P608-V617 HydrophobicContact CG-CG1 4.06Å; V617-R619 PolarHBondContact O-N 3.32Å | ||
| 618 | A | 50.9 | Low | 56.4 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | trans | -54.3 | 118.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | H616 R620 | H616-A618 PolarHBondContact O-N 3.21Å; A618-R620 VanDerWaalsContact C-N 3.35Å; A618-R620 WeakPolarHBondContact O-CG 3.44Å; A618-R620 PolarHBondContact O-N 3.33Å | ||
| 619 | R | 49 | Very low | 53.9 | Low | 166 Ų | 166 | 98.7 Ų | 98.7 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | trans | -66.2 | 98 | 174 | -164.3 | 175.8 | -174.3 | 176.6 | -4.9 | 107.2 | E592 V617 | E592-R619 WeakPolarHBondContact OE2-CG 3.33Å; E592-R619 IonicContact OE2-NE 3.13Å; E592-R619 PolarHBondContact OE2-NE 2.87Å; V617-R619 PolarHBondContact O-N 3.32Å | ||
| 620 | R | 60 | Low | 51.4 | Low | 63 Ų | 63 | 99.9 Ų | 99.9 | 24% | 0.238 | 55% | 0.55 | C | S | . | . | trans | -84.2 | 118.5 | -178.9 | -59.6 | -175.9 | -160.9 | -176.2 | 4.4 | 107.4 | E216 D258 E592 C595 A618 | E216-R620 IonicContact OE1-NH2 3.25Å; D258-R620 VanDerWaalsContact CG-NH1 3.26Å; D258-R620 IonicContact OD1-CZ 3.33Å; D258-R620 IonicContact OD1-NE 2.77Å; D258-R620 IonicContact OD1-NH1 2.61Å; D258-R620 PolarHBondContact OD1-NH1 3.31Å; D258-R620 IonicContact OD2-CZ 2.64Å; D258-R620 IonicContact OD2-NH1 3.13Å; D258-R620 PolarHBondContact OD2-NH1 3.28Å; E592-R620 VanDerWaalsContact CA-O 3.29Å; E592-R620 WeakPolarHBondContact CA-O 3.33Å; E592-R620 WeakPolarHBondContact CG-O 3.05Å; C595-R620 HydrophobicContact CB-CB 3.8Å; A618-R620 VanDerWaalsContact C-N 3.35Å; A618-R620 WeakPolarHBondContact O-CG 3.44Å; A618-R620 PolarHBondContact O-N 3.33Å | ||
| 621 | Q | 58.2 | Low | 48.6 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | trans | -111.1 | 149.4 | 173.1 | -69.7 | -177.3 | -22.8 | 0 | 0 | 109.1 | ||||
| 622 | L | 58.2 | Low | 46 | Very low | 14 Ų | 14 | 103.3 Ų | 103.3 | 7% | 0.073 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -59.2 | 145 | 169 | -72.9 | 170 | 0 | 0 | 0 | 109 | K295 E298 D591 I594 A624 | K295-L622 HydrophobicContact CB-CD2 4.25Å; K295-L622 HydrophobicContact CG-CD2 4.08Å; E298-L622 HydrophobicContact CG-CB 4.5Å; E298-L622 HydrophobicContact CG-CD1 4.1Å; E298-L622 HydrophobicContact CG-CD2 4.24Å; D591-L622 HydrophobicContact CB-CB 4.21Å; D591-L622 HydrophobicContact CB-CD1 3.83Å; D591-L622 HydrophobicContact CB-CG 4.13Å; D591-L622 WeakPolarHBondContact OD1-CD1 3.25Å; I594-L622 HydrophobicContact CB-CD1 4.19Å; I594-L622 HydrophobicContact CD1-CD1 4.14Å; I594-L622 HydrophobicContact CG2-CD1 4.1Å; I594-L622 HydrophobicContact CG2-CD2 4.19Å; L622-A624 PolarHBondContact O-N 3Å |
| 623 | P | 54.9 | Low | 43.9 | Very low | 35 Ų | 35 | 105.6 Ų | 105.6 | 23% | 0.227 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -52.5 | 133.6 | 175.5 | -18.9 | 27 | 0 | 0 | 0 | 110.3 | M299 R625 | M299-P623 HydrophobicContact CE-CB 3.88Å; M299-P623 HydrophobicContact CE-CG 3.24Å; M299-P623 HydrophobicContact CG-CB 4.35Å; M299-P623 HydrophobicContact CG-CG 4.11Å; P623-R625 PolarHBondContact O-N 3.18Å |
| 624 | A | 51.9 | Low | 42 | Very low | 90 Ų | 90 | 99.6 Ų | 99.6 | 74% | 0.744 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L622 V626 | L622-A624 PolarHBondContact O-N 3Å; A624-V626 PolarHBondContact O-N 3.46Å |
| 625 | R | 48.4 | Very low | 40.7 | Very low | 140 Ų | 140 | 102 Ų | 102 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 118.8 | 177.3 | -79.7 | -174.8 | 176.8 | 169.3 | -0.9 | 109.2 | E298 P623 N627 | E298-R625 IonicContact OE2-CZ 3.02Å; E298-R625 IonicContact OE2-NE 2.7Å; E298-R625 PolarHBondContact OE2-NE 3.25Å; E298-R625 IonicContact OE2-NH2 2.66Å; P623-R625 PolarHBondContact O-N 3.18Å; R625-N627 PolarHBondContact O-N 3.03Å |
| 626 | V | 38.7 | Very low | 39.5 | Very low | 142 Ų | 142 | 98.1 Ų | 98.1 | 86% | 0.861 | 60% | 0.603 | S | S | * | * | trans | -69.9 | 83.1 | 164.4 | -174.1 | 0 | 0 | 0 | 0 | 105.6 | A624 G628 | A624-V626 PolarHBondContact O-N 3.46Å; V626-G628 VanDerWaalsContact C-N 3.35Å; V626-G628 PolarHBondContact O-N 3.34Å | ||
| 627 | N | 32.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 106 Ų | 106 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | -55.8 | 110.1 | 163.3 | -90 | -9.8 | 0 | 0 | 0 | 105.1 | R625 V629 | R625-N627 PolarHBondContact O-N 3.03Å; N627-V629 PolarHBondContact O-N 3.03Å | ||
| 628 | G | 26.9 | Very low | 37 | Very low | 69 Ų | 69 | 107 Ų | 107 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | trans | -63.5 | 70.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V626 S630 | V626-G628 VanDerWaalsContact C-N 3.35Å; V626-G628 PolarHBondContact O-N 3.34Å; G628-S630 PolarHBondContact O-N 2.77Å | ||
| 629 | V | 27.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 110.8 Ų | 110.8 | 78% | 0.782 | 66% | 0.663 | S | S | * | * | trans | -76.8 | 78.6 | 155.5 | -172.4 | 0 | 0 | 0 | 0 | 104.3 | N627 S631 | N627-V629 PolarHBondContact O-N 3.03Å; V629-S631 PolarHBondContact O-N 3.3Å; V629-S631 VanDerWaalsContact O-N 3.12Å | ||
| 630 | S | 26.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 107.9 Ų | 107.9 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | trans | -41.8 | 122.6 | 157.9 | -67.5 | 0 | 0 | 0 | 0 | 107 | G628 V632 | G628-S630 PolarHBondContact O-N 2.77Å; S630-V632 PolarHBondContact O-N 3.38Å | ||
| 631 | S | 23.2 | Very low | 33 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -57.2 | 73.5 | 175.3 | 42 | 0 | 0 | 0 | 0 | 111 | V629 S633 | V629-S631 PolarHBondContact O-N 3.3Å; V629-S631 VanDerWaalsContact O-N 3.12Å; S631-S633 VanDerWaalsContact C-N 3.32Å; S631-S633 PolarHBondContact O-N 3.08Å; S631-S633 VanDerWaalsContact O-N 3.13Å | ||
| 632 | V | 25.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | trans | -82.8 | 92.3 | 165 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | S630 G634 | S630-V632 PolarHBondContact O-N 3.38Å; V632-G634 PolarHBondContact O-N 3.13Å | ||
| 633 | S | 24.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | -46.7 | 117.8 | 167.3 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | S631 | S631-S633 VanDerWaalsContact C-N 3.32Å; S631-S633 PolarHBondContact O-N 3.08Å; S631-S633 VanDerWaalsContact O-N 3.13Å | ||
| 634 | G | 21.9 | Very low | 28.8 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 77.9 | 97.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | V632 | V632-G634 PolarHBondContact O-N 3.13Š| ||
| 635 | A | 25.6 | Very low | 27.6 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -155.9 | 126 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 636 | N | 23.8 | Very low | 26.6 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -57.5 | 145.3 | -176.8 | -88.9 | -15.8 | 0 | 0 | 0 | 114.3 | ||||
| 637 | Y | 22.8 | Very low | 26 | Very low | 238 Ų | 238 | 124.9 Ų | 124.9 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | -31.6 | 123.6 | 164.4 | -69.6 | -92.5 | 0 | 0 | 0 | 115.4 | ||||
| 638 | G | 26.9 | Very low | 25.7 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -122.1 | 104.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S640 | G638-S640 PolarHBondContact O-N 3.27Š| ||
| 639 | D | 21.9 | Very low | 25.6 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -45.4 | 120.5 | 173.4 | -175.9 | 19.6 | 0 | 0 | 0 | 112.4 | ||||
| 640 | S | 27.9 | Very low | 25.6 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -141.8 | 99.6 | 164.4 | 25.2 | 0 | 0 | 0 | 0 | 109 | G638 Q642 | G638-S640 PolarHBondContact O-N 3.27Å; S640-Q642 PolarHBondContact O-N 3.34Å; S640-Q642 VanDerWaalsContact O-N 3.08Å | ||
| 641 | Q | 24.5 | Very low | 25.6 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -47.9 | 104 | 169.8 | -65 | 163.4 | -1.3 | 0 | 0 | 110.9 | ||||
| 642 | Q | 26.6 | Very low | 25.7 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -93.6 | 119.8 | 161.6 | -92.1 | 177.3 | -16.9 | 0 | 0 | 108 | S640 D644 | S640-Q642 PolarHBondContact O-N 3.34Å; S640-Q642 VanDerWaalsContact O-N 3.08Å; Q642-D644 PolarHBondContact O-N 3.35Å | ||
| 643 | A | 29.5 | Very low | 26 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 125.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V645 | A643-V645 PolarHBondContact O-N 3.16Š| ||
| 644 | D | 27.1 | Very low | 26.3 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -54.6 | 107 | 170.8 | -87.3 | -42.3 | 0 | 0 | 0 | 110.2 | Q642 | Q642-D644 PolarHBondContact O-N 3.35Š| ||
| 645 | V | 27.9 | Very low | 27 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 119.4 | 161.4 | -178.8 | 0 | 0 | 0 | 0 | 106.2 | A643 A647 | A643-V645 PolarHBondContact O-N 3.16Å; V645-A647 PolarHBondContact O-N 3.05Å; V645-A647 VanDerWaalsContact O-N 3.14Å |
| 646 | P | 26.6 | Very low | 27.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.3 | -179.3 | -16.9 | 28.2 | 0 | 0 | 0 | 109.8 | ||
| 647 | A | 26.2 | Very low | 27.8 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V645 T649 | V645-A647 PolarHBondContact O-N 3.05Å; V645-A647 VanDerWaalsContact O-N 3.14Å; A647-T649 PolarHBondContact O-N 3.14Å; A647-T649 VanDerWaalsContact O-N 3.15Å |
| 648 | P | 26 | Very low | 28.3 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.6 | -179.9 | 22.9 | -31 | 0 | 0 | 0 | 110.4 | V650 | P648-V650 PolarHBondContact O-N 3.13Š|
| 649 | T | 25.8 | Very low | 28.6 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -63.5 | 102.6 | 170.4 | 31.3 | 0 | 0 | 0 | 0 | 109.5 | A647 I651 | A647-T649 PolarHBondContact O-N 3.14Å; A647-T649 VanDerWaalsContact O-N 3.15Å; T649-I651 PolarHBondContact O-N 3.4Å | ||
| 650 | V | 27.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -63 | 116.8 | 166.3 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | P648 P652 | P648-V650 PolarHBondContact O-N 3.13Å; V650-P652 VanDerWaalsContact O-CD 3.23Å; V650-P652 WeakPolarHBondContact O-CD 3.46Å | ||
| 651 | I | 26.3 | Very low | 29.2 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -75 | 112.4 | 172.5 | -59.7 | 172.4 | 0 | 0 | 0 | 106.3 | T649 | T649-I651 PolarHBondContact O-N 3.4Š| ||
| 652 | P | 25.8 | Very low | 29.4 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 48% | 0.481 | 72% | 0.723 | S | S | . | * | trans | -68.3 | 142.4 | 178.8 | 15.7 | -11.3 | 0 | 0 | 0 | 110.6 | V650 L657 | V650-P652 VanDerWaalsContact O-CD 3.23Å; V650-P652 WeakPolarHBondContact O-CD 3.46Å; P652-L657 HydrophobicContact CG-CD1 4.09Å | ||
| 653 | T | 30.6 | Very low | 29.4 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | trans | -66.2 | 143.2 | 172.6 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | E655 T656 | T653-E655 PolarHBondContact O-N 3.4Å; T653-T656 PolarHBondContact O-N 3.19Å; T653-T656 PolarHBondContact O-OG1 3.29Å | ||
| 654 | Q | 31.8 | Very low | 29.2 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -23.5 | -174.1 | -93.1 | 179.3 | -31.9 | 0 | 0 | 114.9 | T656 | Q654-T656 VanDerWaalsContact C-N 3.31Å; Q654-T656 PolarHBondContact O-N 3.29Å |
| 655 | E | 35.4 | Very low | 29.1 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -21.5 | 178.5 | -66.1 | -177.1 | 164.4 | 0 | 0 | 113.8 | T653 | T653-E655 PolarHBondContact O-N 3.4Š|
| 656 | T | 35.7 | Very low | 28.9 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 45% | 0.448 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -19.5 | 179.3 | 37 | 0 | 0 | 0 | 0 | 114 | T653 Q654 I658 G659 | T653-T656 PolarHBondContact O-N 3.19Å; T653-T656 PolarHBondContact O-OG1 3.29Å; Q654-T656 VanDerWaalsContact C-N 3.31Å; Q654-T656 PolarHBondContact O-N 3.29Å; T656-I658 VanDerWaalsContact C-N 3.3Å; T656-I658 PolarHBondContact O-N 3.3Å; T656-G659 PolarHBondContact O-N 3.4Å |
| 657 | L | 31.5 | Very low | 28.8 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 58% | 0.576 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -20.7 | -174.5 | -139.4 | 86.3 | 0 | 0 | 0 | 114.1 | P652 | P652-L657 HydrophobicContact CG-CD1 4.09Š|
| 658 | I | 34 | Very low | 28.7 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -24.4 | -177.6 | -64.7 | 172 | 0 | 0 | 0 | 111.5 | T656 | T656-I658 VanDerWaalsContact C-N 3.3Å; T656-I658 PolarHBondContact O-N 3.3Å |
| 659 | G | 33.1 | Very low | 28.5 | Very low | 47 Ų | 47 | 125.1 Ų | 125.1 | 49% | 0.485 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -39.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T656 L661 | T656-G659 PolarHBondContact O-N 3.4Å; G659-L661 VanDerWaalsContact C-N 3.3Å; G659-L661 PolarHBondContact O-N 2.98Å |
| 660 | D | 34.1 | Very low | 28.4 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -2.8 | -168 | -80.9 | -9.3 | 0 | 0 | 0 | 115.2 | ||
| 661 | L | 27.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0.9 | 177 | -100.2 | 154.5 | 0 | 0 | 0 | 114 | G659 | G659-L661 VanDerWaalsContact C-N 3.3Å; G659-L661 PolarHBondContact O-N 2.98Å |
| 662 | L | 28.2 | Very low | 28 | Very low | 147 Ų | 147 | 123 Ų | 123 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -112.3 | -5.3 | -175.3 | -71.1 | 175 | 0 | 0 | 0 | 115.8 | ||
| 663 | D | 27.5 | Very low | 27.9 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -122.2 | 56.6 | -175.4 | -81.9 | -26.1 | 0 | 0 | 0 | 114.2 | ||||
| 664 | I | 24.8 | Very low | 27.5 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | -120.4 | 98.2 | 162.7 | -59 | 178 | 0 | 0 | 0 | 109.4 | ||||
| 665 | D | 25 | Very low | 27 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -163.4 | 100.9 | 146.8 | -134.9 | 7.9 | 0 | 0 | 0 | 109.4 | ||||
| 666 | L | 23.6 | Very low | 26.5 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | 57.2 | 107.5 | 98 | -62.6 | 177.1 | 0 | 0 | 0 | 115.6 | |||||
| 667 | G | 23.4 | Very low | 25.8 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 169.3 | 100.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 668 | S | 24.2 | Very low | 25.5 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | 48.9 | 117 | 144.9 | 60.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 669 | G | 23.5 | Very low | 24.9 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | 129.1 | 129.8 | 44.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 670 | P | 23.3 | Very low | 24.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -93 | 142.4 | -164.8 | 32.5 | -26.7 | 0 | 0 | 0 | 112.8 | ||||
| 671 | S | 24.2 | Very low | 23.9 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -122.9 | 109.3 | 169.6 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 672 | T | 21.4 | Very low | 23.7 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 137.2 | 173.8 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 673 | Y | 22.3 | Very low | 23.6 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -162.4 | 99.8 | 151.6 | -118.7 | -85.5 | 0 | 0 | 0 | 107.9 | ||||
| 674 | D | 22.1 | Very low | 23.3 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | 75.2 | 95.9 | 97 | -147.3 | 22.6 | 0 | 0 | 0 | 113.3 | |||||
| 675 | S | 21.4 | Very low | 23.3 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 54.4 | 111.7 | 96.5 | -31.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 676 | T | 25.6 | Very low | 23.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -179.7 | 96.6 | 136.7 | 44.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 677 | M | 21.2 | Very low | 23 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | 41.1 | 106.5 | 100.4 | -81.9 | -145.2 | 149.6 | 0 | 0 | 115.3 | |||||
| 678 | H | 25.7 | Very low | 23 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -150.7 | 109.5 | 135 | -101.6 | -64.2 | 0 | 0 | 0 | 111.3 | ||||
| 679 | Q | 20.4 | Very low | 22.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 132.5 | 169.3 | -63.9 | 168.6 | -12.5 | 0 | 0 | 109.6 | ||||
| 680 | F | 23.8 | Very low | 22.6 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -139.9 | 136.1 | 154 | -88.6 | -72.9 | 0 | 0 | 0 | 111.8 | ||||
| 681 | S | 22.8 | Very low | 22.5 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -92 | 146.8 | -158.6 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 682 | R | 23.2 | Very low | 22.4 | Very low | 222 Ų | 222 | 141.4 Ų | 141.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -44.7 | 144.7 | 164.5 | -178.7 | 172.1 | -175.3 | -163.7 | 5.5 | 114.6 | ||||
| 683 | P | 26 | Very low | 22.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -145.8 | 168.8 | 106.6 | 24.8 | -0.9 | 0 | 0 | 0 | 115.9 | |||||
| 684 | P | 22.4 | Very low | 22.4 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -104.8 | 157.5 | -151.7 | 39.4 | -31.1 | 0 | 0 | 0 | 114.7 | ||||
| 685 | V | 24.3 | Very low | 22.5 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -139.6 | 143.4 | 173.9 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 686 | P | 22.5 | Very low | 22.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -99.8 | 158.1 | -143.3 | 37.1 | -33 | 0 | 0 | 0 | 116.2 | ||||
| 687 | N | 19.6 | Very low | 22.5 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -33.8 | 119.3 | 165.5 | -144.1 | 14.5 | 0 | 0 | 0 | 115.3 | ||||
| 688 | T | 22.4 | Very low | 22.8 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -129.6 | 101.2 | 158.3 | 51.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 689 | G | 19.2 | Very low | 22.9 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -68.6 | 129.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 690 | Y | 21 | Very low | 23 | Very low | 215 Ų | 215 | 128.3 Ų | 128.3 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -130.9 | 102.2 | 160 | -79.7 | -78.7 | 0 | 0 | 0 | 108.5 | ||||
| 691 | S | 20.1 | Very low | 23 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -59.2 | 121.9 | 160.7 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 692 | S | 22.8 | Very low | 23.2 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -160.8 | 111.5 | 162.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | T694 | S692-T694 PolarHBondContact O-N 3.27Š| ||
| 693 | A | 21.4 | Very low | 23.2 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -59 | 127.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 694 | T | 22.4 | Very low | 23.1 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | -118.4 | 121.9 | 167 | 46.3 | 0 | 0 | 0 | 0 | 108.7 | S692 | S692-T694 PolarHBondContact O-N 3.27Š| ||
| 695 | P | 23.6 | Very low | 23.3 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 137.9 | -175.4 | 30 | -30.6 | 0 | 0 | 0 | 112 | ||||
| 696 | D | 23.1 | Very low | 23.2 | Very low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -56.7 | 121.3 | 177.7 | -173.5 | 6.6 | 0 | 0 | 0 | 113.1 | ||||
| 697 | L | 24.2 | Very low | 23.3 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -130.7 | 46.2 | -177.8 | -162.1 | 85.4 | 0 | 0 | 0 | 111.4 | ||||
| 698 | L | 28.3 | Very low | 23.4 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 51% | 0.513 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -122.9 | 6.4 | 161.8 | -85 | 176 | 0 | 0 | 0 | 114.4 | M202 T245 | M202-L698 HydrophobicContact CE-CD1 3.5Å; M202-L698 HydrophobicContact CE-CG 3.91Å; M202-L698 HydrophobicContact SD-CD1 3.59Å; M202-L698 VanDerWaalsContact SD-CD1 3.59Å; M202-L698 HydrophobicContact SD-CG 4.4Å; T245-L698 HydrophobicContact CG2-CB 3.83Å; T245-L698 HydrophobicContact CG2-CD1 3.29Å; T245-L698 HydrophobicContact CG2-CG 4.11Å |
| 699 | G | 26.8 | Very low | 23.3 | Very low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -84.8 | -26.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 700 | D | 23.7 | Very low | 23.4 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | -132 | 27.5 | -157.9 | -156.3 | 26 | 0 | 0 | 0 | 116.4 | L702 | D700-L702 VanDerWaalsContact C-N 3.29Å; D700-L702 PolarHBondContact O-N 3.28Å | ||
| 701 | G | 24.3 | Very low | 23.3 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -79.7 | 4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 702 | L | 26.6 | Very low | 23.4 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -129.4 | -17.7 | -168.4 | -108.1 | 149.1 | 0 | 0 | 0 | 116.3 | D700 | D700-L702 VanDerWaalsContact C-N 3.29Å; D700-L702 PolarHBondContact O-N 3.28Å |
| 703 | D | 23.5 | Very low | 23.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -100.5 | -12.6 | -171.8 | -91 | -6 | 0 | 0 | 0 | 115.9 | ||
| 704 | D | 23.4 | Very low | 23.4 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99 | 20.4 | -174.4 | -131.7 | 19.1 | 0 | 0 | 0 | 115.8 | ||
| 705 | L | 25.8 | Very low | 23.3 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -100.3 | 18.3 | -179.9 | -71.4 | 171.7 | 0 | 0 | 0 | 114.9 | P707 | L705-P707 WeakPolarHBondContact O-CD 3.22Š| ||
| 706 | L | 22.1 | Very low | 23.1 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | trans | -90.6 | 109.2 | 178 | -67.3 | 168.7 | 0 | 0 | 0 | 112.3 | ||||
| 707 | P | 24.4 | Very low | 23 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | trans | -142.7 | 139.9 | 134.6 | 34.1 | -18.7 | 0 | 0 | 0 | 113.8 | L705 | L705-P707 WeakPolarHBondContact O-CD 3.22Š| ||
| 708 | G | 22.2 | Very low | 22.8 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | 98.5 | 73.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 709 | V | 20.8 | Very low | 22.5 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | trans | -57.5 | 134.7 | 158.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 710 | T | 20.4 | Very low | 22.2 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -173.6 | 112.7 | 137.8 | 22.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 711 | K | 20.6 | Very low | 22.1 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | 39.4 | 125.5 | 129.7 | -56.5 | 177.7 | 180 | 178.8 | 0 | 118.4 | |||||
| 712 | T | 20.7 | Very low | 22 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | 162.6 | 136.4 | 110.4 | 41.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 713 | H | 23.2 | Very low | 21.8 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | 76.4 | 156.5 | 139.5 | -85.2 | -69.2 | 0 | 0 | 0 | 122 | ||||
| 714 | P | 20.7 | Very low | 21.6 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 51% | 0.506 | 70% | 0.695 | S | S | . | * | -129.7 | -157.7 | -129.6 | 37.7 | -13.6 | 0 | 0 | 0 | 111.9 | |||||
| 715 | S | 20 | Very low | 21.5 | Very low | 89 Ų | 89 | 117.2 Ų | 117.2 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | trans | 68.9 | 141.3 | 161.6 | 32.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 716 | E | 20.9 | Very low | 21.4 | Very low | 143 Ų | 143 | 115.1 Ų | 115.1 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | cis | -173.4 | 153.3 | 23.8 | -120.4 | 160.4 | -166.8 | 0 | 0 | 109.5 | K38 | K38-E716 PolarHBondContact NZ-O 2.98Š| ||
| 717 | E | 20.8 | Very low | 21.4 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 57% | 0.57 | 70% | 0.698 | S | S | * | * | trans | 64.2 | 127.9 | 134.4 | -80.8 | -174.9 | 174.3 | 0 | 0 | 125.4 | K38 | K38-E717 WeakPolarHBondContact CE-O 3.49Å; K38-E717 PolarHBondContact NZ-O 3.48Å | ||
| 718 | Q | 20.7 | Very low | 21.4 | Very low | 103 Ų | 103 | 113 Ų | 113 | 48% | 0.481 | 70% | 0.698 | S | S | . | * | trans | 75 | 149.6 | 134.6 | -68.8 | -177.7 | 19.1 | 0 | 0 | 116.4 | K38 | K38-Q718 WeakPolarHBondContact CD-O 3.35Å; K38-Q718 WeakPolarHBondContact CE-O 3.48Å; K38-Q718 WeakPolarHBondContact CG-O 3.36Å | ||
| 719 | K | 21.2 | Very low | 21.6 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | cis | -171.8 | 142.8 | 1.5 | -117.7 | 171 | -170.3 | 158 | 0 | 107.5 | ||||
| 720 | T | 20.2 | Very low | 21.7 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 56% | 0.558 | 69% | 0.692 | S | S | * | * | trans | 66 | 142.8 | 134.9 | 54.4 | 0 | 0 | 0 | 0 | 124.9 | K39 | K39-T720 WeakPolarHBondContact CD-O 3.2Š| ||
| 721 | Q | 22.3 | Very low | 21.8 | Very low | 141 Ų | 141 | 112 Ų | 112 | 66% | 0.659 | 69% | 0.691 | S | S | * | * | trans | 105.8 | 121.6 | 131.4 | -95.6 | 165.5 | 14.1 | 0 | 0 | 115.8 | K39 | K39-Q721 WeakPolarHBondContact CE-O 3.25Å; K39-Q721 PolarHBondContact NZ-O 3.14Å | ||
| 722 | S | 20.8 | Very low | 22.1 | Very low | 96 Ų | 96 | 110.2 Ų | 110.2 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | 59 | 136.7 | 100.6 | 77.9 | 0 | 0 | 0 | 0 | 114.7 | K39 | K39-S722 PolarHBondContact NZ-O 3.42Š| |||
| 723 | G | 22.2 | Very low | 22.3 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | cis | -160.6 | 157.1 | 5.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 724 | G | 21.3 | Very low | 22.5 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 78% | 0.784 | 69% | 0.685 | S | S | * | * | 97.4 | 89.6 | 90.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 725 | A | 21.1 | Very low | 22.8 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | 75.6 | 113.5 | 85.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 726 | S | 23.9 | Very low | 23.3 | Very low | 110 Ų | 110 | 114.4 Ų | 114.4 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -164.9 | 99.8 | 142.1 | 46.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 727 | S | 20.9 | Very low | 23.8 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | 70.4 | 102.5 | 79.8 | 71.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 728 | S | 24.3 | Very low | 24.1 | Very low | 119 Ų | 119 | 111 Ų | 111 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -163 | 136.2 | 138.8 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 729 | A | 26.3 | Very low | 24.2 | Very low | 97 Ų | 97 | 109.8 Ų | 109.8 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 60.5 | 78 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 730 | A | 22.6 | Very low | 24.5 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | 51.6 | 99.1 | 68.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 731 | D | 23.5 | Very low | 24.6 | Very low | 127 Ų | 127 | 116.3 Ų | 116.3 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | 81.5 | 61 | 111.6 | -65.7 | -18 | 0 | 0 | 0 | 121.7 | |||||
| 732 | V | 26.9 | Very low | 24.8 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -132.1 | 1.1 | 154.3 | -151.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 733 | L | 24.4 | Very low | 25 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -120.9 | 11.7 | 179.3 | -70.6 | 175.4 | 0 | 0 | 0 | 115.1 | ||
| 734 | A | 26.8 | Very low | 25.1 | Very low | 53 Ų | 53 | 119.4 Ų | 119.4 | 44% | 0.438 | 76% | 0.758 | S | S | . | * | trans | -93.3 | -3.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I736 | A734-I736 PolarHBondContact O-N 3.34Š| ||
| 735 | D | 27.8 | Very low | 25.5 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 11.9 | -166.4 | -119.5 | 5.9 | 0 | 0 | 0 | 116.5 | ||
| 736 | I | 29.9 | Very low | 25.7 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -7.1 | -179.2 | -73.6 | 176.8 | 0 | 0 | 0 | 114 | A734 | A734-I736 PolarHBondContact O-N 3.34Š|
| 737 | F | 32.3 | Very low | 25.9 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 50% | 0.504 | 74% | 0.742 | S | S | . | * | trans | -115.6 | 87.6 | -174.9 | -69.1 | -68.9 | 0 | 0 | 0 | 112.8 | L883 | F737-L883 HydrophobicContact CE2-CD1 4.43Š| ||
| 738 | G | 26.4 | Very low | 26.4 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -55.5 | 133 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 739 | G | 23.5 | Very low | 27.7 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -76.7 | 133.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 740 | I | 26.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 119 Ų | 119 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -130.2 | 114.9 | 161.2 | -60.4 | 179.6 | 0 | 0 | 0 | 106.8 | M742 | I740-M742 PolarHBondContact O-N 3.22Š| ||
| 741 | K | 22.4 | Very low | 32.4 | Very low | 208 Ų | 208 | 116.5 Ų | 116.5 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -70.8 | 114.7 | 171 | -76.7 | 176.4 | 173.5 | 177.2 | 0 | 108.3 | ||||
| 742 | M | 27.4 | Very low | 35.4 | Very low | 132 Ų | 132 | 111.8 Ų | 111.8 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -86.9 | 119 | 166.6 | -71.4 | -70.7 | -95.2 | 0 | 0 | 108.6 | I740 D907 | I740-M742 PolarHBondContact O-N 3.22Å; M742-D907 HydrophobicContact CE-CB 4.42Å | ||
| 743 | S | 24.9 | Very low | 38.5 | Very low | 109 Ų | 109 | 108 Ų | 108 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | -64.6 | 138.8 | 176.7 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | P745 | S743-P745 VanDerWaalsContact O-CD 3.32Å; S743-P745 WeakPolarHBondContact O-CD 3.47Å | ||
| 744 | D | 24.3 | Very low | 41.6 | Very low | 136 Ų | 136 | 100.7 Ų | 100.7 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -76.7 | 113.3 | -179.9 | -160.8 | 17.9 | 0 | 0 | 0 | 111.2 | ||||
| 745 | P | 29.2 | Very low | 44.5 | Very low | 93 Ų | 93 | 102.6 Ų | 102.6 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | trans | -92.6 | 107.3 | 169.5 | 19.6 | -1.3 | 0 | 0 | 0 | 108.7 | S743 G747 | S743-P745 VanDerWaalsContact O-CD 3.32Å; S743-P745 WeakPolarHBondContact O-CD 3.47Å; P745-G747 VanDerWaalsContact C-N 3.31Å; P745-G747 PolarHBondContact O-N 3.43Å | ||
| 746 | S | 24.9 | Very low | 47.5 | Very low | 129 Ų | 129 | 97.1 Ų | 97.1 | 90% | 0.902 | 61% | 0.605 | S | S | * | * | trans | -60.9 | 87.9 | 166 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 747 | G | 28 | Very low | 50.5 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | trans | -124.9 | 129.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108 | P745 A749 | P745-G747 VanDerWaalsContact C-N 3.31Å; P745-G747 PolarHBondContact O-N 3.43Å; G747-A749 PolarHBondContact O-N 3.48Å | ||
| 748 | D | 33.2 | Very low | 53.4 | Low | 180 Ų | 180 | 91 Ų | 91 | 96% | 0.963 | 58% | 0.584 | S | S | * | * | trans | -69.8 | 56.8 | -178.8 | -154.5 | 15.7 | 0 | 0 | 0 | 111 | S750 | D748-S750 PolarHBondContact O-N 2.92Š| ||
| 749 | A | 50.4 | Low | 56.7 | Low | 52 Ų | 52 | 88 Ų | 88 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | trans | -88.6 | 108.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G747 Q915 | G747-A749 PolarHBondContact O-N 3.48Å; A749-Q915 HydrophobicContact CB-CG 4.26Å; A749-Q915 VanDerWaalsContact CB-NE2 3.29Å | ||
| 750 | S | 66.5 | Low | 60.1 | Low | 101 Ų | 101 | 84.4 Ų | 84.4 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 144.2 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | D748 | D748-S750 PolarHBondContact O-N 2.92Š|
| 751 | A | 80.8 | Confident | 63.3 | Low | 25 Ų | 25 | 83.1 Ų | 83.1 | 21% | 0.207 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 151.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V753 Q915 | A751-V753 PolarHBondContact O-N 3.27Å; A751-Q915 WeakPolarHBondContact CB-O 3.43Å |
| 752 | F | 87.8 | Confident | 66.5 | Low | 27 Ų | 27 | 74.5 Ų | 74.5 | 12% | 0.118 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 131.4 | -179.8 | 170.5 | -110.9 | 0 | 0 | 0 | 110.4 | P754 H868 N916 E978 I979 H982 | F752-P754 HydrophobicContact CD1-CG 4.34Å; F752-P754 HydrophobicContact CE1-CB 4.39Å; F752-P754 HydrophobicContact CE1-CG 3.68Å; F752-P754 HydrophobicContact CZ-CB 4.4Å; F752-P754 HydrophobicContact CZ-CG 4.16Å; F752-H868 AromaticContact CD1-CE1 3.98Å; F752-H868 AromaticContact CD1-NE2 3.73Å; F752-H868 PolarHBondContact O-NE2 2.97Å; F752-N916 WeakPolarHBondContact CB-OD1 3.34Å; F752-N916 PolarHBondContact N-OD1 2.98Å; F752-E978 HydrophobicContact CD1-CB 4.49Å; F752-E978 HydrophobicContact CE1-CB 3.67Å; F752-E978 HydrophobicContact CZ-CB 4.16Å; F752-I979 HydrophobicContact CB-CG1 4.21Å; F752-I979 HydrophobicContact CD1-CG1 4.01Å; F752-I979 HydrophobicContact CG-CG1 4.37Å; F752-H982 HydrophobicContact CD2-CB 3.72Å; F752-H982 HydrophobicContact CE2-CB 3.31Å; F752-H982 AromaticContact CE2-CD2 3.75Å; F752-H982 AromaticContact CE2-CG 3.56Å; F752-H982 HydrophobicContact CZ-CB 4.16Å; F752-H982 AromaticContact CZ-CD2 3.82Å |
| 753 | V | 90.9 | Very high | 69.4 | Low | 60 Ų | 60 | 72.6 Ų | 72.6 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | trans | -121.1 | 115.1 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 108 | A751 T773 A775 | A751-V753 PolarHBondContact O-N 3.27Å; V753-T773 HydrophobicContact CG1-CG2 3.82Å; V753-A775 HydrophobicContact CG1-CB 4.01Å; V753-A775 HydrophobicContact CG2-CB 3.68Å | ||
| 754 | P | 89.4 | Confident | 72.5 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.104 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -59 | 150.6 | 176.1 | -25.9 | 35.4 | 0 | 0 | 0 | 111.9 | F752 T773 P866 | F752-P754 HydrophobicContact CD1-CG 4.34Å; F752-P754 HydrophobicContact CE1-CB 4.39Å; F752-P754 HydrophobicContact CE1-CG 3.68Å; F752-P754 HydrophobicContact CZ-CB 4.4Å; F752-P754 HydrophobicContact CZ-CG 4.16Å; P754-T773 WeakPolarHBondContact O-CB 3.35Å; P754-T773 PolarHBondContact O-OG1 3.37Å; P754-P866 HydrophobicContact CG-CB 4.14Å; P754-P866 HydrophobicContact CG-CG 3.73Å |
| 755 | P | 88.3 | Confident | 75.7 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 61% | 0.61 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 143.1 | 176.2 | 26.2 | -33.7 | 0 | 0 | 0 | 111 | T757 | P755-T757 PolarHBondContact O-N 2.95Š|
| 756 | A | 90.8 | Very high | 78.6 | Confident | 53 Ų | 53 | 70 Ų | 70 | 44% | 0.438 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G772 T773 | A756-G772 WeakPolarHBondContact CA-O 3.26Å; A756-T773 HydrophobicContact CB-CG2 4.46Å |
| 757 | T | 92 | Very high | 81.8 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 161.9 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | P755 L759 R771 G772 | P755-T757 PolarHBondContact O-N 2.95Å; T757-L759 PolarHBondContact O-N 3.26Å; T757-R771 CarbonylContact O-C 3.56Å; T757-R771 WeakPolarHBondContact O-CA 3.45Å; T757-R771 WeakPolarHBondContact O-CB 3.34Å; T757-G772 PolarHBondContact N-O 3.41Å; T757-G772 PolarHBondContact O-N 2.99Å |
| 758 | V | 94.3 | Very high | 85 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 114.6 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | E761 R771 | V758-E761 HydrophobicContact CG1-CG 3.86Å; V758-R771 HydrophobicContact CG2-CG 4.01Å |
| 759 | L | 94.8 | Very high | 88.1 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -36.1 | 178.8 | -53.7 | -178.4 | 0 | 0 | 0 | 111.6 | T757 I770 M783 L785 F861 T863 | T757-L759 PolarHBondContact O-N 3.26Å; L759-I770 HydrophobicContact CB-CG2 4.46Å; L759-I770 HydrophobicContact CD1-CG2 4.38Å; L759-I770 PolarHBondContact N-O 2.89Å; L759-M783 HydrophobicContact CD1-CE 3.48Å; L759-M783 VanDerWaalsContact CD1-CE 3.48Å; L759-L785 HydrophobicContact CD1-CD2 3.86Å; L759-F861 HydrophobicContact CB-CD2 3.87Å; L759-F861 HydrophobicContact CB-CE2 3.67Å; L759-F861 HydrophobicContact CB-CZ 4.45Å; L759-F861 HydrophobicContact CD1-CE2 4.13Å; L759-T863 HydrophobicContact CD2-CG2 4.39Å; L759-T863 WeakPolarHBondContact CD2-OG1 3.47Å |
| 760 | L | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 118.3 | 175.1 | -178.9 | 67.1 | 0 | 0 | 0 | 109.3 | R764 E769 I770 F859 F861 | L760-R764 HydrophobicContact CD1-CB 3.94Å; L760-E769 WeakPolarHBondContact O-CA 3.46Å; L760-I770 HydrophobicContact CB-CB 3.96Å; L760-I770 HydrophobicContact CB-CD1 4.31Å; L760-I770 HydrophobicContact CB-CG1 4.14Å; L760-I770 HydrophobicContact CD2-CD1 3.94Å; L760-I770 HydrophobicContact CD2-CG1 4.2Å; L760-I770 PolarHBondContact N-O 3.04Å; L760-I770 PolarHBondContact O-N 3.47Å; L760-F859 HydrophobicContact CD2-CB 3.75Å; L760-F859 HydrophobicContact CD2-CD2 4.49Å; L760-F859 HydrophobicContact CD2-CG 4.03Å; L760-F861 HydrophobicContact CB-CD1 4.13Å; L760-F861 HydrophobicContact CB-CE1 4.42Å; L760-F861 HydrophobicContact CB-CG 4.47Å; L760-F861 HydrophobicContact CD1-CD1 4.44Å; L760-F861 HydrophobicContact CD2-CD1 4.49Å |
| 761 | E | 93.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 52.7 Ų | 52.7 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | trans | -74.2 | 144.6 | 174.5 | -65.1 | -179.4 | 173.5 | 0 | 0 | 111.6 | V758 A763 R764 G765 | V758-E761 HydrophobicContact CG1-CG 3.86Å; E761-A763 PolarHBondContact O-N 3.31Å; E761-A763 VanDerWaalsContact O-N 3.1Å; E761-R764 PolarHBondContact O-N 2.96Å; E761-G765 PolarHBondContact O-N 2.89Å | ||
| 762 | A | 90.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R764 G765 K766 G767 E769 N790 | A762-R764 VanDerWaalsContact C-N 3.34Å; A762-R764 PolarHBondContact O-N 3.37Å; A762-G765 PolarHBondContact O-N 2.71Å; A762-K766 PolarHBondContact O-N 2.96Å; A762-G767 WeakPolarHBondContact O-CA 3.38Å; A762-G767 PolarHBondContact O-N 3.38Å; A762-E769 HydrophobicContact CB-CB 4.17Å; A762-N790 HydrophobicContact CB-CB 4.35Å |
| 763 | A | 87.2 | Confident | 92.8 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 76% | 0.76 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E761 | E761-A763 PolarHBondContact O-N 3.31Å; E761-A763 VanDerWaalsContact O-N 3.1Å |
| 764 | R | 90.4 | Very high | 93.1 | Very high | 162 Ų | 162 | 48.5 Ų | 48.5 | 61% | 0.611 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -29.6 | 178.4 | -68.1 | -178.3 | 60.6 | -164.4 | -4.6 | 112.5 | L760 E761 A762 K766 | L760-R764 HydrophobicContact CD1-CB 3.94Å; E761-R764 PolarHBondContact O-N 2.96Å; A762-R764 VanDerWaalsContact C-N 3.34Å; A762-R764 PolarHBondContact O-N 3.37Å; R764-K766 VanDerWaalsContact C-N 3.31Å; R764-K766 PolarHBondContact O-N 3.02Å |
| 765 | G | 91 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 14.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E761 A762 G767 L768 F859 | E761-G765 PolarHBondContact O-N 2.89Å; A762-G765 PolarHBondContact O-N 2.71Å; G765-G767 PolarHBondContact O-N 3.37Å; G765-G767 VanDerWaalsContact O-N 3.16Å; G765-L768 WeakPolarHBondContact CA-O 3.31Å; G765-L768 WeakPolarHBondContact O-CB 3.33Å; G765-L768 PolarHBondContact O-N 3.23Å; G765-F859 WeakPolarHBondContact O-CE1 3.48Å; G765-F859 WeakPolarHBondContact O-CZ 3.39Å |
| 766 | K | 90.9 | Very high | 93.5 | Very high | 121 Ų | 121 | 44.5 Ų | 44.5 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41.7 | -174.7 | -64.7 | 178 | 176 | 173.2 | 0 | 112.4 | A762 R764 I856 D857 F859 | A762-K766 PolarHBondContact O-N 2.96Å; R764-K766 VanDerWaalsContact C-N 3.31Å; R764-K766 PolarHBondContact O-N 3.02Å; K766-I856 HydrophobicContact CB-CG2 4.46Å; K766-I856 HydrophobicContact CD-CG2 4.28Å; K766-D857 IonicContact NZ-OD2 3.82Å; K766-D857 PolarHBondContact NZ-OD2 3.39Å; K766-F859 HydrophobicContact CB-CE1 4.12Å; K766-F859 HydrophobicContact CB-CZ 4.18Å; K766-F859 HydrophobicContact CD-CE1 4.26Å; K766-F859 HydrophobicContact CG-CE1 4.1Å |
| 767 | G | 91.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -15.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | A762 G765 E769 N790 | A762-G767 WeakPolarHBondContact O-CA 3.38Å; A762-G767 PolarHBondContact O-N 3.38Å; G765-G767 PolarHBondContact O-N 3.37Å; G765-G767 VanDerWaalsContact O-N 3.16Å; G767-E769 PolarHBondContact O-N 2.94Å; G767-N790 WeakPolarHBondContact O-CA 3.49Å; G767-N790 VanDerWaalsContact O-CB 3.31Å; G767-N790 WeakPolarHBondContact O-CB 3.41Å; G767-N790 PolarHBondContact O-N 3.32Å |
| 768 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 119.5 | 170.8 | -179.7 | 62.9 | 0 | 0 | 0 | 110.2 | G765 I770 L787 M795 F798 V852 F859 | G765-L768 WeakPolarHBondContact CA-O 3.31Å; G765-L768 WeakPolarHBondContact O-CB 3.33Å; G765-L768 PolarHBondContact O-N 3.23Å; L768-I770 HydrophobicContact CD1-CG1 4.44Å; L768-I770 HydrophobicContact CD2-CD1 4.05Å; L768-I770 HydrophobicContact CD2-CG1 4.24Å; L768-I770 HydrophobicContact CG-CD1 4.4Å; L768-I770 HydrophobicContact CG-CG1 4.03Å; L768-L787 HydrophobicContact CD1-CB 4.35Å; L768-M795 HydrophobicContact CB-CE 3.97Å; L768-M795 HydrophobicContact CB-SD 3.85Å; L768-M795 HydrophobicContact CD1-SD 3.93Å; L768-M795 HydrophobicContact CG-SD 4.38Å; L768-F798 HydrophobicContact CD1-CE1 4.09Å; L768-F798 HydrophobicContact CD1-CZ 4.41Å; L768-F798 HydrophobicContact CD2-CE1 4.05Å; L768-V852 HydrophobicContact CD2-CG1 4.46Å; L768-F859 HydrophobicContact CD2-CD2 4.04Å; L768-F859 HydrophobicContact CD2-CE2 4.12Å |
| 769 | E | 97.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 48 Ų | 48 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.3 | 167.2 | -176.4 | 178.7 | 144.8 | 0 | 0 | 109.4 | L760 A762 G767 R771 T788 N790 | L760-E769 WeakPolarHBondContact O-CA 3.46Å; A762-E769 HydrophobicContact CB-CB 4.17Å; G767-E769 PolarHBondContact O-N 2.94Å; E769-R771 IonicContact OE1-CZ 2.74Å; E769-R771 IonicContact OE1-NE 2.7Å; E769-R771 PolarHBondContact OE1-NE 3.42Å; E769-R771 IonicContact OE1-NH2 3.42Å; E769-R771 PolarHBondContact OE1-NH2 3Å; E769-R771 VanDerWaalsContact OE1-NH2 3.09Å; E769-T788 PolarHBondContact N-O 3.45Å; E769-T788 PolarHBondContact O-N 3.06Å; E769-N790 PolarHBondContact OE2-ND2 3.49Å |
| 770 | I | 97.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.2 | 175.4 | -54.2 | 178.2 | 0 | 0 | 0 | 108.4 | L759 L760 L768 L785 T786 V852 F861 | L759-I770 HydrophobicContact CB-CG2 4.46Å; L759-I770 HydrophobicContact CD1-CG2 4.38Å; L759-I770 PolarHBondContact N-O 2.89Å; L760-I770 HydrophobicContact CB-CB 3.96Å; L760-I770 HydrophobicContact CB-CD1 4.31Å; L760-I770 HydrophobicContact CB-CG1 4.14Å; L760-I770 HydrophobicContact CD2-CD1 3.94Å; L760-I770 HydrophobicContact CD2-CG1 4.2Å; L760-I770 PolarHBondContact N-O 3.04Å; L760-I770 PolarHBondContact O-N 3.47Å; L768-I770 HydrophobicContact CD1-CG1 4.44Å; L768-I770 HydrophobicContact CD2-CD1 4.05Å; L768-I770 HydrophobicContact CD2-CG1 4.24Å; L768-I770 HydrophobicContact CG-CD1 4.4Å; L768-I770 HydrophobicContact CG-CG1 4.03Å; I770-L785 HydrophobicContact CG2-CD2 3.84Å; I770-T786 WeakPolarHBondContact CA-O 3.48Å; I770-V852 HydrophobicContact CD1-CB 4.14Å; I770-V852 HydrophobicContact CD1-CG1 4.04Å; I770-V852 HydrophobicContact CD1-CG2 3.96Å; I770-F861 HydrophobicContact CD1-CE1 3.97Å; I770-F861 HydrophobicContact CD1-CZ 4.22Å |
| 771 | R | 97.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.2 | 166.4 | -64.7 | 179.1 | 178.6 | -117.1 | -5.1 | 109.6 | T757 V758 E769 L785 T786 | T757-R771 CarbonylContact O-C 3.56Å; T757-R771 WeakPolarHBondContact O-CA 3.45Å; T757-R771 WeakPolarHBondContact O-CB 3.34Å; V758-R771 HydrophobicContact CG2-CG 4.01Å; E769-R771 IonicContact OE1-CZ 2.74Å; E769-R771 IonicContact OE1-NE 2.7Å; E769-R771 PolarHBondContact OE1-NE 3.42Å; E769-R771 IonicContact OE1-NH2 3.42Å; E769-R771 PolarHBondContact OE1-NH2 3Å; E769-R771 VanDerWaalsContact OE1-NH2 3.09Å; R771-L785 CarbonylContact O-C 3.54Å; R771-L785 WeakPolarHBondContact O-CA 3.16Å; R771-T786 PolarHBondContact N-O 3.26Å; R771-T786 PolarHBondContact O-N 3.22Å |
| 772 | G | 95.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 167.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A756 T757 E784 | A756-G772 WeakPolarHBondContact CA-O 3.26Å; T757-G772 PolarHBondContact N-O 3.41Å; T757-G772 PolarHBondContact O-N 2.99Å; G772-E784 CarbonylContact C-O 3.59Å; G772-E784 WeakPolarHBondContact CA-O 3.29Å |
| 773 | T | 95.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 172.9 | 174.5 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | V753 P754 A756 E784 | V753-T773 HydrophobicContact CG1-CG2 3.82Å; P754-T773 WeakPolarHBondContact O-CB 3.35Å; P754-T773 PolarHBondContact O-OG1 3.37Å; A756-T773 HydrophobicContact CB-CG2 4.46Å; T773-E784 HydrophobicContact CG2-CB 3.92Å; T773-E784 HydrophobicContact CG2-CG 4.34Å; T773-E784 PolarHBondContact N-O 3.2Å; T773-E784 PolarHBondContact O-N 2.81Å |
| 774 | F | 96.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.6 | 176.7 | -61 | -91.5 | 0 | 0 | 0 | 109.5 | F782 M783 L833 L848 T863 V865 P866 I869 | F774-F782 WeakPolarHBondContact CA-O 3.42Å; F774-M783 HydrophobicContact CD1-CB 4.16Å; F774-M783 HydrophobicContact CD1-CG 4.17Å; F774-M783 HydrophobicContact CE1-CB 4.03Å; F774-M783 HydrophobicContact CE1-CE 4.22Å; F774-M783 HydrophobicContact CE1-CG 3.75Å; F774-M783 HydrophobicContact CE1-SD 4.16Å; F774-M783 HydrophobicContact CZ-CE 3.79Å; F774-M783 HydrophobicContact CZ-CG 4.17Å; F774-M783 HydrophobicContact CZ-SD 4.33Å; F774-L833 HydrophobicContact CD1-CD1 4.12Å; F774-L833 HydrophobicContact CE1-CD1 4.02Å; F774-L848 HydrophobicContact CE1-CD2 4.15Å; F774-L848 HydrophobicContact CZ-CD2 4.05Å; F774-T863 HydrophobicContact CE2-CG2 3.92Å; F774-T863 HydrophobicContact CZ-CG2 3.9Å; F774-V865 HydrophobicContact CD1-CG1 4.29Å; F774-V865 HydrophobicContact CD2-CG1 4.44Å; F774-V865 HydrophobicContact CE1-CG2 4.08Å; F774-V865 HydrophobicContact CE2-CG2 4.03Å; F774-V865 HydrophobicContact CG-CG1 4.24Å; F774-V865 HydrophobicContact CZ-CG2 3.76Å; F774-P866 HydrophobicContact CB-CG 4.43Å; F774-P866 HydrophobicContact CD2-CG 4.46Å; F774-I869 HydrophobicContact CB-CG2 4.12Å |
| 775 | A | 92.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | V753 K777 F782 E784 | V753-A775 HydrophobicContact CG1-CB 4.01Å; V753-A775 HydrophobicContact CG2-CB 3.68Å; A775-K777 HydrophobicContact CB-CG 4.45Å; A775-F782 PolarHBondContact N-O 3.42Å; A775-F782 PolarHBondContact O-N 3.33Å; A775-E784 HydrophobicContact CB-CG 4.47Å |
| 776 | R | 92.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.1 | 167.3 | -169.4 | -177.9 | -175.9 | 83.1 | 3.1 | 108.5 | A779 Q780 I869 F871 E873 | R776-A779 PolarHBondContact NH2-O 3.32Å; R776-Q780 WeakPolarHBondContact CA-O 3.35Å; R776-I869 HydrophobicContact CB-CB 4.44Å; R776-I869 PolarHBondContact NH1-O 3.33Å; R776-F871 WeakPolarHBondContact CD-O 3.4Å; R776-F871 PolarHBondContact NE-O 3.09Å; R776-E873 IonicContact CZ-OE1 3.38Å; R776-E873 IonicContact CZ-OE2 2.67Å; R776-E873 IonicContact NE-OE1 3.56Å; R776-E873 PolarHBondContact NE-OE1 2.71Å; R776-E873 IonicContact NE-OE2 3.32Å; R776-E873 IonicContact NH2-OE1 3.96Å; R776-E873 PolarHBondContact NH2-OE1 2.96Å; R776-E873 IonicContact NH2-OE2 3.29Å; R776-E873 PolarHBondContact NH2-OE2 2.7Å |
| 777 | K | 86.3 | Confident | 94 | Very high | 102 Ų | 102 | 32.1 Ų | 32.1 | 44% | 0.443 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 124.4 | -178.9 | -63.4 | 172.7 | -177.5 | 167.7 | 0 | 108.5 | A775 A779 Q780 F782 E784 | A775-K777 HydrophobicContact CB-CG 4.45Å; K777-A779 PolarHBondContact O-N 2.76Å; K777-Q780 PolarHBondContact N-O 3.14Å; K777-Q780 PolarHBondContact O-N 3Å; K777-F782 HydrophobicContact CB-CD2 4.14Å; K777-F782 HydrophobicContact CB-CE2 4.06Å; K777-E784 IonicContact NZ-OE1 2.88Å; K777-E784 PolarHBondContact NZ-OE1 2.86Å |
| 778 | A | 84.1 | Confident | 94.3 | Very high | 107 Ų | 107 | 32.5 Ų | 32.5 | 88% | 0.884 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 52.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q780 | A778-Q780 PolarHBondContact O-N 3.39Š|
| 779 | A | 85.8 | Confident | 94.3 | Very high | 53 Ų | 53 | 32.5 Ų | 32.5 | 44% | 0.438 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R776 K777 E873 | R776-A779 PolarHBondContact NH2-O 3.32Å; K777-A779 PolarHBondContact O-N 2.76Å; A779-E873 VanDerWaalsContact CA-OE1 3.26Å; A779-E873 WeakPolarHBondContact CA-OE1 3.48Å; A779-E873 VanDerWaalsContact CB-CD 3.5Å; A779-E873 HydrophobicContact CB-CG 4.32Å; A779-E873 WeakPolarHBondContact CB-OE2 3.45Å |
| 780 | Q | 92.2 | Very high | 94.2 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.6 | 176.6 | -175.4 | 66.5 | 22.5 | 0 | 0 | 110.4 | R776 K777 A778 F782 P832 L833 | R776-Q780 WeakPolarHBondContact CA-O 3.35Å; K777-Q780 PolarHBondContact N-O 3.14Å; K777-Q780 PolarHBondContact O-N 3Å; A778-Q780 PolarHBondContact O-N 3.39Å; Q780-F782 HydrophobicContact CB-CD2 4.43Å; Q780-F782 HydrophobicContact CB-CE2 3.63Å; Q780-F782 HydrophobicContact CB-CZ 4.07Å; Q780-F782 HydrophobicContact CG-CD2 4.28Å; Q780-F782 HydrophobicContact CG-CE1 4.39Å; Q780-F782 HydrophobicContact CG-CE2 3.59Å; Q780-F782 HydrophobicContact CG-CZ 3.65Å; Q780-F782 WeakPolarHBondContact O-CD2 3.36Å; Q780-P832 HydrophobicContact CG-CB 4.48Å; Q780-L833 PolarHBondContact NE2-O 3.48Å |
| 781 | I | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.1 | 176.2 | -58.9 | 166 | 0 | 0 | 0 | 108.4 | L809 L833 T835 I869 L870 T939 | I781-L809 HydrophobicContact CD1-CD2 4.22Å; I781-L833 HydrophobicContact CB-CB 4.2Å; I781-L833 HydrophobicContact CG2-CB 4.01Å; I781-L833 HydrophobicContact CG2-CD1 4.13Å; I781-L833 HydrophobicContact CG2-CG 4.45Å; I781-L833 PolarHBondContact O-N 3.38Å; I781-T835 HydrophobicContact CD1-CG2 4.07Å; I781-I869 HydrophobicContact CD1-CD1 4.13Å; I781-I869 HydrophobicContact CG1-CD1 4.32Å; I781-I869 WeakPolarHBondContact CG1-O 3.45Å; I781-I869 HydrophobicContact CG2-CD1 3.46Å; I781-I869 VanDerWaalsContact CG2-CD1 3.46Å; I781-L870 HydrophobicContact CD1-CD2 4.03Å; I781-T939 HydrophobicContact CD1-CG2 4.4Å |
| 782 | F | 96.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.4 | 176.3 | -66.7 | -91.1 | 0 | 0 | 0 | 110.3 | F774 A775 K777 Q780 S830 L831 P832 | F774-F782 WeakPolarHBondContact CA-O 3.42Å; A775-F782 PolarHBondContact N-O 3.42Å; A775-F782 PolarHBondContact O-N 3.33Å; K777-F782 HydrophobicContact CB-CD2 4.14Å; K777-F782 HydrophobicContact CB-CE2 4.06Å; Q780-F782 HydrophobicContact CB-CD2 4.43Å; Q780-F782 HydrophobicContact CB-CE2 3.63Å; Q780-F782 HydrophobicContact CB-CZ 4.07Å; Q780-F782 HydrophobicContact CG-CD2 4.28Å; Q780-F782 HydrophobicContact CG-CE1 4.39Å; Q780-F782 HydrophobicContact CG-CE2 3.59Å; Q780-F782 HydrophobicContact CG-CZ 3.65Å; Q780-F782 WeakPolarHBondContact O-CD2 3.36Å; F782-S830 WeakPolarHBondContact CD1-OG 3.42Å; F782-L831 WeakPolarHBondContact CA-O 3.46Å; F782-P832 HydrophobicContact CD1-CB 4.02Å; F782-P832 HydrophobicContact CE1-CB 3.75Å |
| 783 | M | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.9 | 161.5 | -171.5 | -175.5 | -163 | 0 | 0 | 107.8 | L759 F774 L785 F802 L831 L833 I850 | L759-M783 HydrophobicContact CD1-CE 3.48Å; L759-M783 VanDerWaalsContact CD1-CE 3.48Å; F774-M783 HydrophobicContact CD1-CB 4.16Å; F774-M783 HydrophobicContact CD1-CG 4.17Å; F774-M783 HydrophobicContact CE1-CB 4.03Å; F774-M783 HydrophobicContact CE1-CE 4.22Å; F774-M783 HydrophobicContact CE1-CG 3.75Å; F774-M783 HydrophobicContact CE1-SD 4.16Å; F774-M783 HydrophobicContact CZ-CE 3.79Å; F774-M783 HydrophobicContact CZ-CG 4.17Å; F774-M783 HydrophobicContact CZ-SD 4.33Å; M783-L785 HydrophobicContact CE-CD2 3.61Å; M783-L785 HydrophobicContact CG-CD2 3.97Å; M783-L785 HydrophobicContact CG-CG 4.04Å; M783-L785 HydrophobicContact SD-CD1 4.15Å; M783-L785 HydrophobicContact SD-CD2 3.9Å; M783-L785 HydrophobicContact SD-CG 4.18Å; M783-F802 HydrophobicContact SD-CE1 4.16Å; M783-F802 HydrophobicContact SD-CZ 3.7Å; M783-L831 HydrophobicContact CB-CB 4.33Å; M783-L831 PolarHBondContact N-O 3.38Å; M783-L831 PolarHBondContact O-N 3.28Å; M783-L833 HydrophobicContact CB-CD1 3.96Å; M783-L833 HydrophobicContact CB-CD2 4.4Å; M783-L833 HydrophobicContact CB-CG 4.23Å; M783-I850 HydrophobicContact CE-CD1 3.44Å; M783-I850 VanDerWaalsContact CE-CD1 3.44Å; M783-I850 HydrophobicContact SD-CD1 4.17Å |
| 784 | E | 95.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 44 Ų | 44 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122 | 177.2 | -56.4 | -69 | -174.4 | 0 | 0 | 107.9 | G772 T773 A775 K777 S830 | G772-E784 CarbonylContact C-O 3.59Å; G772-E784 WeakPolarHBondContact CA-O 3.29Å; T773-E784 HydrophobicContact CG2-CB 3.92Å; T773-E784 HydrophobicContact CG2-CG 4.34Å; T773-E784 PolarHBondContact N-O 3.2Å; T773-E784 PolarHBondContact O-N 2.81Å; A775-E784 HydrophobicContact CB-CG 4.47Å; K777-E784 IonicContact NZ-OE1 2.88Å; K777-E784 PolarHBondContact NZ-OE1 2.86Å; E784-S830 PolarHBondContact OE1-OG 2.75Å; E784-S830 VanDerWaalsContact OE1-OG 3.12Å; E784-S830 WeakPolarHBondContact OE2-CA 3.32Å; E784-S830 WeakPolarHBondContact OE2-CB 3.49Å; E784-S830 PolarHBondContact OE2-OG 2.51Å |
| 785 | L | 96.7 | Very high | 93 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.1 | -174.9 | -66.4 | 174 | 0 | 0 | 0 | 110.7 | L759 I770 R771 M783 L787 I800 L815 N828 V829 | L759-L785 HydrophobicContact CD1-CD2 3.86Å; I770-L785 HydrophobicContact CG2-CD2 3.84Å; R771-L785 CarbonylContact O-C 3.54Å; R771-L785 WeakPolarHBondContact O-CA 3.16Å; M783-L785 HydrophobicContact CE-CD2 3.61Å; M783-L785 HydrophobicContact CG-CD2 3.97Å; M783-L785 HydrophobicContact CG-CG 4.04Å; M783-L785 HydrophobicContact SD-CD1 4.15Å; M783-L785 HydrophobicContact SD-CD2 3.9Å; M783-L785 HydrophobicContact SD-CG 4.18Å; L785-L787 HydrophobicContact CB-CD1 3.89Å; L785-I800 HydrophobicContact CD1-CD1 4.13Å; L785-L815 HydrophobicContact CD1-CD1 4.07Å; L785-N828 CarbonylContact O-C 3.37Å; L785-N828 VanDerWaalsContact O-CA 3.31Å; L785-N828 WeakPolarHBondContact O-CA 3.37Å; L785-V829 PolarHBondContact N-O 3.03Å; L785-V829 PolarHBondContact O-N 3.32Å |
| 786 | T | 96.8 | Very high | 93 | Very high | 41 Ų | 41 | 46 Ų | 46 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.9 | 164.4 | -58.2 | 0 | 0 | 0 | 0 | 107.8 | I770 R771 V827 N828 | I770-T786 WeakPolarHBondContact CA-O 3.48Å; R771-T786 PolarHBondContact N-O 3.26Å; R771-T786 PolarHBondContact O-N 3.22Å; T786-V827 WeakPolarHBondContact CA-O 3.16Å; T786-N828 WeakPolarHBondContact CB-OD1 3.13Å; T786-N828 VanDerWaalsContact CG2-OD1 3.31Å; T786-N828 WeakPolarHBondContact CG2-OD1 3.49Å; T786-N828 PolarHBondContact OG1-OD1 3.22Å |
| 787 | L | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.1 | 178.1 | -61.9 | 87.4 | 0 | 0 | 0 | 108.9 | L768 L785 F798 L815 V817 L821 S826 V827 V829 | L768-L787 HydrophobicContact CD1-CB 4.35Å; L785-L787 HydrophobicContact CB-CD1 3.89Å; L787-F798 HydrophobicContact CD2-CD1 3.77Å; L787-F798 HydrophobicContact CD2-CE1 3.7Å; L787-F798 HydrophobicContact CD2-CZ 4.44Å; L787-L815 HydrophobicContact CD2-CD2 4.36Å; L787-V817 HydrophobicContact CD2-CG2 4.48Å; L787-L821 HydrophobicContact CB-CD2 4.22Å; L787-S826 CarbonylContact O-C 3.48Å; L787-S826 VanDerWaalsContact O-CA 3.24Å; L787-S826 WeakPolarHBondContact O-CA 3.39Å; L787-V827 HydrophobicContact CB-CG1 4.01Å; L787-V827 HydrophobicContact CD1-CG1 4.41Å; L787-V827 PolarHBondContact N-O 2.9Å; L787-V827 PolarHBondContact O-N 3.15Å; L787-V829 HydrophobicContact CD1-CB 4.24Å; L787-V829 HydrophobicContact CD1-CG2 3.84Å |
| 788 | T | 96.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.5 | -177.2 | -57 | 0 | 0 | 0 | 0 | 110.4 | E769 S826 | E769-T788 PolarHBondContact N-O 3.45Å; E769-T788 PolarHBondContact O-N 3.06Å; T788-S826 VanDerWaalsContact CG2-OG 3.32Å; T788-S826 WeakPolarHBondContact CG2-OG 3.35Å; T788-S826 PolarHBondContact OG1-OG 3.13Å |
| 789 | N | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 103.9 | 176.1 | -178.4 | 3.5 | 0 | 0 | 0 | 110.5 | A791 T793 M795 L821 R824 Q825 | N789-A791 WeakPolarHBondContact OD1-CA 3.46Å; N789-A791 WeakPolarHBondContact OD1-CB 3.37Å; N789-A791 PolarHBondContact OD1-N 2.9Å; N789-A791 PolarHBondContact OD1-O 2.67Å; N789-T793 PolarHBondContact ND2-O 2.91Å; N789-M795 HydrophobicContact CB-CE 4.45Å; N789-M795 HydrophobicContact CB-SD 4.07Å; N789-M795 WeakPolarHBondContact OD1-CE 3.46Å; N789-L821 HydrophobicContact CB-CB 4.46Å; N789-L821 HydrophobicContact CB-CD2 3.78Å; N789-L821 HydrophobicContact CB-CG 3.8Å; N789-L821 PolarHBondContact ND2-O 2.88Å; N789-R824 WeakPolarHBondContact O-CA 3.19Å; N789-R824 PolarHBondContact O-N 3.1Å; N789-Q825 PolarHBondContact N-O 2.59Å |
| 790 | N | 95 | Very high | 93.9 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | trans | -92.9 | 0.8 | 172.6 | -66.8 | -56.3 | 0 | 0 | 0 | 113.3 | A762 G767 E769 | A762-N790 HydrophobicContact CB-CB 4.35Å; G767-N790 WeakPolarHBondContact O-CA 3.49Å; G767-N790 VanDerWaalsContact O-CB 3.31Å; G767-N790 WeakPolarHBondContact O-CB 3.41Å; G767-N790 PolarHBondContact O-N 3.32Å; E769-N790 PolarHBondContact OE2-ND2 3.49Å | ||
| 791 | A | 91.2 | Very high | 93.9 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -82 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | N789 T793 M795 P823 | N789-A791 WeakPolarHBondContact OD1-CA 3.46Å; N789-A791 WeakPolarHBondContact OD1-CB 3.37Å; N789-A791 PolarHBondContact OD1-N 2.9Å; N789-A791 PolarHBondContact OD1-O 2.67Å; A791-T793 VanDerWaalsContact C-N 3.34Å; A791-M795 HydrophobicContact CB-CE 3.74Å; A791-P823 VanDerWaalsContact O-CB 3.27Å; A791-P823 WeakPolarHBondContact O-CB 3.34Å |
| 792 | L | 89.2 | Confident | 93.8 | Very high | 165 Ų | 165 | 43.4 Ų | 43.4 | 86% | 0.864 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -84.6 | -6.7 | 174.8 | -68 | 172 | 0 | 0 | 0 | 113.5 | P823 | L792-P823 VanDerWaalsContact C-CG 3.48Å; L792-P823 VanDerWaalsContact O-CG 3.25Å; L792-P823 WeakPolarHBondContact O-CG 3.13Å |
| 793 | T | 90.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -107.7 | 140.1 | -177.6 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | N789 A791 | N789-T793 PolarHBondContact ND2-O 2.91Å; A791-T793 VanDerWaalsContact C-N 3.34Å |
| 794 | P | 91.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | trans | -61.8 | 135.8 | 172.7 | -22.6 | 33.3 | 0 | 0 | 0 | 112.3 | M822 N855 | P794-M822 HydrophobicContact CB-SD 3.87Å; P794-M822 HydrophobicContact CG-SD 3.86Å; P794-N855 PolarHBondContact O-ND2 2.93Å; P794-N855 VanDerWaalsContact O-ND2 3.11Å | ||
| 795 | M | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 131.6 | 177.5 | -67 | 175.6 | -173 | 0 | 0 | 111 | L768 N789 A791 F798 P820 L821 N855 I856 | L768-M795 HydrophobicContact CB-CE 3.97Å; L768-M795 HydrophobicContact CB-SD 3.85Å; L768-M795 HydrophobicContact CD1-SD 3.93Å; L768-M795 HydrophobicContact CG-SD 4.38Å; N789-M795 HydrophobicContact CB-CE 4.45Å; N789-M795 HydrophobicContact CB-SD 4.07Å; N789-M795 WeakPolarHBondContact OD1-CE 3.46Å; A791-M795 HydrophobicContact CB-CE 3.74Å; M795-F798 HydrophobicContact CB-CE2 4Å; M795-F798 HydrophobicContact CB-CZ 3.67Å; M795-P820 CarbonylContact O-C 3.33Å; M795-P820 VanDerWaalsContact O-CA 3.27Å; M795-P820 WeakPolarHBondContact O-CA 3.42Å; M795-L821 HydrophobicContact CB-CB 4.4Å; M795-L821 PolarHBondContact N-O 3.04Å; M795-L821 PolarHBondContact O-N 2.82Å; M795-N855 VanDerWaalsContact CA-OD1 3.25Å; M795-N855 WeakPolarHBondContact CA-OD1 3.05Å; M795-I856 HydrophobicContact CE-CD1 3.56Å; M795-I856 HydrophobicContact CG-CD1 3.62Å; M795-I856 HydrophobicContact CG-CG1 4.36Å; M795-I856 HydrophobicContact SD-CD1 4.22Å |
| 796 | S | 93.3 | Very high | 93.3 | Very high | 46 Ų | 46 | 49 Ų | 49 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -143.6 | 176.7 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | F798 N854 N855 | S796-F798 PolarHBondContact O-N 3.32Å; S796-N854 CarbonylContact O-C 3.6Å; S796-N854 WeakPolarHBondContact O-CA 3.19Å; S796-N854 WeakPolarHBondContact O-CB 3.38Å; S796-N855 VanDerWaalsContact N-CG 3.34Å; S796-N855 PolarHBondContact N-OD1 3.33Å; S796-N855 WeakPolarHBondContact O-CB 3.12Å; S796-N855 PolarHBondContact O-N 2.96Å; S796-N855 PolarHBondContact O-OD1 3.26Å | ||
| 797 | G | 89.2 | Confident | 93.3 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | trans | 68.7 | 35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 798 | F | 94.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | trans | -64.6 | 132.7 | -179.5 | -72.7 | -84.9 | 0 | 0 | 0 | 112 | L768 L787 M795 S796 L815 V817 L821 K853 N854 | L768-F798 HydrophobicContact CD1-CE1 4.09Å; L768-F798 HydrophobicContact CD1-CZ 4.41Å; L768-F798 HydrophobicContact CD2-CE1 4.05Å; L787-F798 HydrophobicContact CD2-CD1 3.77Å; L787-F798 HydrophobicContact CD2-CE1 3.7Å; L787-F798 HydrophobicContact CD2-CZ 4.44Å; M795-F798 HydrophobicContact CB-CE2 4Å; M795-F798 HydrophobicContact CB-CZ 3.67Å; S796-F798 PolarHBondContact O-N 3.32Å; F798-L815 HydrophobicContact CB-CD2 4.02Å; F798-V817 HydrophobicContact CB-CB 4.19Å; F798-V817 HydrophobicContact CB-CG2 3.84Å; F798-V817 HydrophobicContact CD2-CB 3.67Å; F798-V817 HydrophobicContact CD2-CG1 3.78Å; F798-V817 HydrophobicContact CD2-CG2 3.79Å; F798-V817 HydrophobicContact CE2-CB 4.37Å; F798-V817 HydrophobicContact CE2-CG1 3.98Å; F798-V817 HydrophobicContact CE2-CG2 4.48Å; F798-V817 HydrophobicContact CG-CB 4.15Å; F798-V817 HydrophobicContact CG-CG2 3.81Å; F798-L821 HydrophobicContact CE2-CB 4.11Å; F798-L821 HydrophobicContact CZ-CB 4.3Å; F798-L821 HydrophobicContact CZ-CD2 4.23Å; F798-K853 CarbonylContact C-O 3.44Å; F798-K853 VanDerWaalsContact CA-O 3.22Å; F798-K853 WeakPolarHBondContact CA-O 3.31Å; F798-N854 HydrophobicContact CD1-CB 3.96Å; F798-N854 HydrophobicContact CE1-CB 3.94Å; F798-N854 HydrophobicContact CG-CB 4.42Å; F798-N854 HydrophobicContact CZ-CB 4.38Å | ||
| 799 | A | 91.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V852 K853 | A799-V852 CarbonylContact O-C 3.5Å; A799-V852 WeakPolarHBondContact O-CA 3.49Å; A799-K853 HydrophobicContact CB-CB 4.37Å; A799-K853 PolarHBondContact N-O 3.45Å; A799-K853 PolarHBondContact O-N 3.1Å |
| 800 | I | 93.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.8 | 179.5 | -165.8 | 165.3 | 0 | 0 | 0 | 109.9 | L785 F802 P811 L815 L831 I850 A851 V852 | L785-I800 HydrophobicContact CD1-CD1 4.13Å; I800-F802 HydrophobicContact CD1-CE1 3.76Å; I800-F802 HydrophobicContact CG1-CD1 4.3Å; I800-F802 HydrophobicContact CG1-CE1 3.93Å; I800-P811 HydrophobicContact CG2-CB 4.45Å; I800-P811 HydrophobicContact CG2-CG 4.1Å; I800-L815 HydrophobicContact CB-CB 4.12Å; I800-L815 HydrophobicContact CB-CD2 4.13Å; I800-L815 HydrophobicContact CG2-CB 3.69Å; I800-L815 HydrophobicContact CG2-CG 4.5Å; I800-L831 HydrophobicContact CD1-CD2 3.94Å; I800-L831 HydrophobicContact CG2-CD1 4.46Å; I800-L831 HydrophobicContact CG2-CD2 3.7Å; I800-I850 HydrophobicContact CD1-CG2 3.85Å; I800-I850 HydrophobicContact CG1-CG2 3.8Å; I800-A851 CarbonylContact C-O 3.49Å; I800-A851 WeakPolarHBondContact CA-O 3.4Å; I800-V852 HydrophobicContact CB-CG2 4.43Å; I800-V852 HydrophobicContact CD1-CG2 3.91Å; I800-V852 HydrophobicContact CG1-CG2 3.84Å |
| 801 | Q | 91.3 | Very high | 93.2 | Very high | 141 Ų | 141 | 46.2 Ų | 46.2 | 66% | 0.659 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139.1 | 173.9 | -169.5 | 172.7 | 16.9 | 0 | 0 | 109.5 | A851 | Q801-A851 PolarHBondContact N-O 3.45Å; Q801-A851 PolarHBondContact O-N 2.68Å |
| 802 | F | 94.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.6 | 173.9 | -66.5 | 1.9 | 0 | 0 | 0 | 108.8 | M783 I800 L809 P811 L831 L833 L848 I850 | M783-F802 HydrophobicContact SD-CE1 4.16Å; M783-F802 HydrophobicContact SD-CZ 3.7Å; I800-F802 HydrophobicContact CD1-CE1 3.76Å; I800-F802 HydrophobicContact CG1-CD1 4.3Å; I800-F802 HydrophobicContact CG1-CE1 3.93Å; F802-L809 HydrophobicContact CD2-CB 4.41Å; F802-P811 HydrophobicContact CD1-CG 3.97Å; F802-P811 HydrophobicContact CD2-CG 4.2Å; F802-P811 HydrophobicContact CE1-CG 3.89Å; F802-P811 HydrophobicContact CE2-CG 4.14Å; F802-P811 HydrophobicContact CG-CG 4.11Å; F802-P811 HydrophobicContact CZ-CG 3.98Å; F802-L831 HydrophobicContact CZ-CD2 4.45Å; F802-L833 HydrophobicContact CE2-CD1 3.77Å; F802-L833 HydrophobicContact CE2-CD2 3.49Å; F802-L833 VanDerWaalsContact CE2-CD2 3.49Å; F802-L833 HydrophobicContact CE2-CG 4.26Å; F802-L833 HydrophobicContact CZ-CD1 4.24Å; F802-L833 HydrophobicContact CZ-CD2 3.68Å; F802-L848 HydrophobicContact CB-CD1 4.21Å; F802-L848 HydrophobicContact CD2-CD1 3.9Å; F802-L848 HydrophobicContact CD2-CD2 3.92Å; F802-L848 HydrophobicContact CD2-CG 4.38Å; F802-L848 HydrophobicContact CE2-CD2 3.75Å; F802-L848 HydrophobicContact CG-CD1 4.17Å; F802-L848 HydrophobicContact CZ-CD2 4.2Å; F802-I850 HydrophobicContact CD1-CB 4.36Å; F802-I850 HydrophobicContact CD1-CD1 4.4Å; F802-I850 HydrophobicContact CD1-CG1 3.89Å; F802-I850 HydrophobicContact CD1-CG2 3.97Å; F802-I850 HydrophobicContact CE1-CD1 3.95Å; F802-I850 HydrophobicContact CE1-CG1 3.95Å; F802-I850 HydrophobicContact CE1-CG2 3.91Å; F802-I850 HydrophobicContact CZ-CD1 4.34Å |
| 803 | N | 91.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 169.2 | 169 | -155.5 | -4.3 | 0 | 0 | 0 | 110.2 | N805 Q849 | N803-N805 PolarHBondContact O-N 2.97Å; N803-N805 PolarHBondContact O-ND2 3.39Å; N803-Q849 HydrophobicContact CB-CB 3.89Å; N803-Q849 PolarHBondContact N-O 3.47Å; N803-Q849 PolarHBondContact ND2-OE1 3.25Å |
| 804 | K | 93.2 | Very high | 93.1 | Very high | 106 Ų | 106 | 47.5 Ų | 47.5 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -53 | 140 | 168.8 | -51.8 | -174.6 | -177.1 | 166.4 | 0 | 109.4 | P838 M840 | K804-P838 WeakPolarHBondContact CA-O 3.38Å; K804-P838 HydrophobicContact CD-CB 4.37Å; K804-P838 HydrophobicContact CG-CB 3.92Å; K804-P838 HydrophobicContact CG-CG 3.93Å; K804-M840 HydrophobicContact CB-CB 3.56Å; K804-M840 HydrophobicContact CB-SD 4.45Å; K804-M840 HydrophobicContact CD-CB 4.27Å; K804-M840 HydrophobicContact CD-SD 4.45Å |
| 805 | N | 94.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -151.1 | 167 | -176.5 | 61.4 | 81.1 | 0 | 0 | 0 | 111.7 | N803 F807 G808 L809 P838 V839 M840 M842 L848 | N803-N805 PolarHBondContact O-N 2.97Å; N803-N805 PolarHBondContact O-ND2 3.39Å; N805-F807 PolarHBondContact O-N 2.88Å; N805-F807 PolarHBondContact OD1-N 2.98Å; N805-G808 PolarHBondContact O-N 3.21Å; N805-G808 PolarHBondContact OD1-N 3.42Å; N805-L809 PolarHBondContact ND2-N 3.26Å; N805-L809 PolarHBondContact ND2-O 2.89Å; N805-L809 WeakPolarHBondContact OD1-CB 3.43Å; N805-L809 PolarHBondContact OD1-N 3.3Å; N805-P838 PolarHBondContact N-O 3.21Å; N805-V839 VanDerWaalsContact O-CA 3.29Å; N805-V839 WeakPolarHBondContact O-CA 3.43Å; N805-M840 CarbonylContact C-O 3.53Å; N805-M840 WeakPolarHBondContact CA-O 2.92Å; N805-M840 PolarHBondContact O-N 3.2Å; N805-M842 HydrophobicContact CB-CG 4.33Å; N805-L848 HydrophobicContact CB-CD1 3.95Å |
| 806 | S | 95.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.2 | -166.3 | -50.1 | 0 | 0 | 0 | 0 | 114.9 | V839 M840 M842 L845 | S806-V839 WeakPolarHBondContact O-CG1 3.28Å; S806-M840 VanDerWaalsContact CA-O 3.29Å; S806-M840 WeakPolarHBondContact CA-O 3.33Å; S806-M840 PolarHBondContact N-O 3.4Å; S806-M842 WeakPolarHBondContact OG-CB 3.14Å; S806-M842 PolarHBondContact OG-N 2.9Å; S806-L845 WeakPolarHBondContact CB-O 3.39Å; S806-L845 PolarHBondContact OG-O 3.46Å |
| 807 | F | 95.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 11.1 | -176.2 | -64.9 | -85.7 | 0 | 0 | 0 | 112.8 | N805 L809 T835 L845 M846 M867 L870 L938 | N805-F807 PolarHBondContact O-N 2.88Å; N805-F807 PolarHBondContact OD1-N 2.98Å; F807-L809 VanDerWaalsContact C-N 3.26Å; F807-L809 PolarHBondContact O-N 3.26Å; F807-T835 WeakPolarHBondContact O-CA 3.34Å; F807-T835 WeakPolarHBondContact O-CB 3.45Å; F807-L845 HydrophobicContact CE2-CD2 4.11Å; F807-L845 HydrophobicContact CE2-CG 3.97Å; F807-L845 HydrophobicContact CZ-CD2 4.02Å; F807-L845 HydrophobicContact CZ-CG 4.36Å; F807-M846 HydrophobicContact CD2-SD 3.85Å; F807-M846 HydrophobicContact CE2-SD 3.37Å; F807-M846 WeakPolarHBondContact CE2-SD 3.46Å; F807-M846 HydrophobicContact CZ-SD 4.24Å; F807-M867 HydrophobicContact CE2-CE 4.39Å; F807-M867 HydrophobicContact CZ-CE 4.3Å; F807-L870 HydrophobicContact CB-CD1 4.03Å; F807-L870 HydrophobicContact CB-CD2 4.5Å; F807-L870 HydrophobicContact CD1-CD1 3.64Å; F807-L870 HydrophobicContact CD2-CD1 3.52Å; F807-L870 HydrophobicContact CE1-CD1 3.89Å; F807-L870 HydrophobicContact CE2-CD1 3.8Å; F807-L870 HydrophobicContact CG-CD1 3.44Å; F807-L870 VanDerWaalsContact CG-CD1 3.44Å; F807-L870 HydrophobicContact CZ-CD1 3.96Å; F807-L938 HydrophobicContact CE1-CD1 3.88Å; F807-L938 HydrophobicContact CZ-CD1 4.21Å |
| 808 | G | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | 62.9 | 30.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N805 V810 T835 T836 G837 | N805-G808 PolarHBondContact O-N 3.21Å; N805-G808 PolarHBondContact OD1-N 3.42Å; G808-V810 PolarHBondContact O-N 3.38Å; G808-T835 CarbonylContact O-C 3.47Å; G808-T835 VanDerWaalsContact O-CA 3.23Å; G808-T835 WeakPolarHBondContact O-CA 3.26Å; G808-T836 PolarHBondContact O-N 3.31Å; G808-G837 WeakPolarHBondContact CA-O 3.41Å; G808-G837 VanDerWaalsContact O-CA 3.25Å; G808-G837 WeakPolarHBondContact O-CA 3.44Å; G808-G837 PolarHBondContact O-N 2.85Å | ||
| 809 | L | 96.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -60.4 | 126.7 | 175 | -75.1 | 167.5 | 0 | 0 | 0 | 110.3 | I781 F802 N805 F807 L833 A834 T835 L848 V865 L870 | I781-L809 HydrophobicContact CD1-CD2 4.22Å; F802-L809 HydrophobicContact CD2-CB 4.41Å; N805-L809 PolarHBondContact ND2-N 3.26Å; N805-L809 PolarHBondContact ND2-O 2.89Å; N805-L809 WeakPolarHBondContact OD1-CB 3.43Å; N805-L809 PolarHBondContact OD1-N 3.3Å; F807-L809 VanDerWaalsContact C-N 3.26Å; F807-L809 PolarHBondContact O-N 3.26Å; L809-L833 HydrophobicContact CD2-CB 4.45Å; L809-L833 HydrophobicContact CD2-CD1 4.42Å; L809-A834 CarbonylContact C-O 3.55Å; L809-A834 VanDerWaalsContact CA-O 3.27Å; L809-A834 WeakPolarHBondContact CA-O 3.41Å; L809-T835 HydrophobicContact CD2-CG2 3.71Å; L809-T835 HydrophobicContact CG-CG2 4.28Å; L809-L848 HydrophobicContact CB-CD1 4.44Å; L809-V865 HydrophobicContact CD1-CB 4.45Å; L809-V865 HydrophobicContact CD1-CG1 4.02Å; L809-V865 HydrophobicContact CD1-CG2 4.08Å; L809-L870 HydrophobicContact CD2-CD2 4.34Å | ||
| 810 | V | 95.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 26% | 0.255 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 143 | 178.5 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | G808 T812 L833 A834 | G808-V810 PolarHBondContact O-N 3.38Å; V810-T812 PolarHBondContact O-N 3.14Å; V810-L833 CarbonylContact O-C 3.53Å; V810-L833 WeakPolarHBondContact O-CA 3.5Å; V810-A834 PolarHBondContact N-O 3.46Å; V810-A834 PolarHBondContact O-N 3.49Å |
| 811 | P | 95.1 | Very high | 91 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 16% | 0.156 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 129.6 | 170.6 | -21.7 | 34.4 | 0 | 0 | 0 | 111.4 | I800 F802 L831 L833 | I800-P811 HydrophobicContact CG2-CB 4.45Å; I800-P811 HydrophobicContact CG2-CG 4.1Å; F802-P811 HydrophobicContact CD1-CG 3.97Å; F802-P811 HydrophobicContact CD2-CG 4.2Å; F802-P811 HydrophobicContact CE1-CG 3.89Å; F802-P811 HydrophobicContact CE2-CG 4.14Å; F802-P811 HydrophobicContact CG-CG 4.11Å; F802-P811 HydrophobicContact CZ-CG 3.98Å; P811-L831 HydrophobicContact CB-CD1 4.21Å; P811-L831 HydrophobicContact CB-CD2 4.02Å; P811-L831 HydrophobicContact CB-CG 4.21Å; P811-L831 HydrophobicContact CG-CD2 4.05Å; P811-L833 HydrophobicContact CB-CD2 4.26Å; P811-L833 HydrophobicContact CG-CD2 4.2Å |
| 812 | T | 91.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -85.3 | -14.8 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | V810 P832 A834 | V810-T812 PolarHBondContact O-N 3.14Å; T812-P832 PolarHBondContact N-O 3.25Å; T812-P832 WeakPolarHBondContact OG1-CB 3.4Å; T812-P832 WeakPolarHBondContact OG1-CG 3.48Å; T812-P832 PolarHBondContact OG1-O 2.86Å; T812-A834 HydrophobicContact CG2-CB 3.38Å |
| 813 | Q | 91.8 | Very high | 91 | Very high | 130 Ų | 130 | 53.3 Ų | 53.3 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -136.3 | 156.5 | 178.5 | -62.4 | -177.3 | 22.9 | 0 | 0 | 109.5 | L831 P832 | Q813-L831 WeakPolarHBondContact O-CD1 3.37Å; Q813-P832 HydrophobicContact CB-CG 4.15Å; Q813-P832 HydrophobicContact CG-CG 3.88Å |
| 814 | A | 87.3 | Confident | 91 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 74% | 0.744 | 33% | 0.326 | S | S | * | . | trans | -66.1 | 148.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N816 | A814-N816 PolarHBondContact O-N 3.35Š| ||
| 815 | L | 89.8 | Confident | 91 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | trans | -65.2 | 101.8 | 175.1 | -175 | 67.6 | 0 | 0 | 0 | 110 | L785 L787 F798 I800 V817 V829 | L785-L815 HydrophobicContact CD1-CD1 4.07Å; L787-L815 HydrophobicContact CD2-CD2 4.36Å; F798-L815 HydrophobicContact CB-CD2 4.02Å; I800-L815 HydrophobicContact CB-CB 4.12Å; I800-L815 HydrophobicContact CB-CD2 4.13Å; I800-L815 HydrophobicContact CG2-CB 3.69Å; I800-L815 HydrophobicContact CG2-CG 4.5Å; L815-V817 HydrophobicContact CG-CG2 4.38Å; L815-V817 PolarHBondContact O-N 3.39Å; L815-V829 HydrophobicContact CD1-CB 4.32Å; L815-V829 HydrophobicContact CD1-CG1 3.7Å | ||
| 816 | N | 83.7 | Confident | 91 | Very high | 116 Ų | 116 | 61 Ų | 61 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | trans | -91.4 | 100.5 | -176 | -170.4 | 9.9 | 0 | 0 | 0 | 111.2 | A814 | A814-N816 PolarHBondContact O-N 3.35Š| ||
| 817 | V | 88.9 | Confident | 91 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | trans | -106.5 | 97.9 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | L787 F798 L815 T819 V827 V829 | L787-V817 HydrophobicContact CD2-CG2 4.48Å; F798-V817 HydrophobicContact CB-CB 4.19Å; F798-V817 HydrophobicContact CB-CG2 3.84Å; F798-V817 HydrophobicContact CD2-CB 3.67Å; F798-V817 HydrophobicContact CD2-CG1 3.78Å; F798-V817 HydrophobicContact CD2-CG2 3.79Å; F798-V817 HydrophobicContact CE2-CB 4.37Å; F798-V817 HydrophobicContact CE2-CG1 3.98Å; F798-V817 HydrophobicContact CE2-CG2 4.48Å; F798-V817 HydrophobicContact CG-CB 4.15Å; F798-V817 HydrophobicContact CG-CG2 3.81Å; L815-V817 HydrophobicContact CG-CG2 4.38Å; L815-V817 PolarHBondContact O-N 3.39Å; V817-T819 VanDerWaalsContact C-N 3.33Å; V817-T819 PolarHBondContact O-N 2.94Å; V817-V827 HydrophobicContact CG1-CG1 4.05Å; V817-V829 HydrophobicContact CG2-CG2 4.11Å | ||
| 818 | P | 77.6 | Confident | 90.9 | Very high | 102 Ų | 102 | 67 Ų | 67 | 66% | 0.662 | 37% | 0.373 | S | S | * | . | trans | -69.1 | -25.5 | -160.7 | 22.9 | -33.1 | 0 | 0 | 0 | 114.8 | ||||
| 819 | T | 83.7 | Confident | 90.8 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -126.3 | 149.1 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 110 | V817 L821 | V817-T819 VanDerWaalsContact C-N 3.33Å; V817-T819 PolarHBondContact O-N 2.94Å; T819-L821 PolarHBondContact O-N 3.29Å |
| 820 | P | 87.2 | Confident | 90.7 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | trans | -52.3 | 128.3 | 170.2 | -23 | 32.8 | 0 | 0 | 0 | 110.2 | M795 M822 | M795-P820 CarbonylContact O-C 3.33Å; M795-P820 VanDerWaalsContact O-CA 3.27Å; M795-P820 WeakPolarHBondContact O-CA 3.42Å; P820-M822 HydrophobicContact CB-CE 3.9Å; P820-M822 HydrophobicContact CG-CE 4.5Å; P820-M822 PolarHBondContact O-N 3.43Å | ||
| 821 | L | 92.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 105.8 | -179.1 | -168.4 | 66.3 | 0 | 0 | 0 | 108.3 | L787 N789 M795 F798 T819 Q825 V827 | L787-L821 HydrophobicContact CB-CD2 4.22Å; N789-L821 HydrophobicContact CB-CB 4.46Å; N789-L821 HydrophobicContact CB-CD2 3.78Å; N789-L821 HydrophobicContact CB-CG 3.8Å; N789-L821 PolarHBondContact ND2-O 2.88Å; M795-L821 HydrophobicContact CB-CB 4.4Å; M795-L821 PolarHBondContact N-O 3.04Å; M795-L821 PolarHBondContact O-N 2.82Å; F798-L821 HydrophobicContact CE2-CB 4.11Å; F798-L821 HydrophobicContact CZ-CB 4.3Å; F798-L821 HydrophobicContact CZ-CD2 4.23Å; T819-L821 PolarHBondContact O-N 3.29Å; L821-Q825 HydrophobicContact CD1-CB 3.89Å; L821-Q825 HydrophobicContact CD1-CG 3.87Å; L821-Q825 HydrophobicContact CG-CB 4.39Å; L821-V827 HydrophobicContact CD1-CB 3.94Å; L821-V827 HydrophobicContact CD1-CG1 3.78Å; L821-V827 HydrophobicContact CD2-CG1 4.41Å |
| 822 | M | 92.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | trans | -71 | 159.7 | -176.6 | -62.8 | -60.7 | 159.5 | 0 | 0 | 111.4 | P794 P820 R824 Q825 | P794-M822 HydrophobicContact CB-SD 3.87Å; P794-M822 HydrophobicContact CG-SD 3.86Å; P820-M822 HydrophobicContact CB-CE 3.9Å; P820-M822 HydrophobicContact CG-CE 4.5Å; P820-M822 PolarHBondContact O-N 3.43Å; M822-R824 PolarHBondContact O-N 2.68Å; M822-Q825 HydrophobicContact CB-CB 4.32Å; M822-Q825 WeakPolarHBondContact O-CB 3.5Å; M822-Q825 PolarHBondContact O-N 2.97Å | ||
| 823 | P | 92.4 | Very high | 91 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 34% | 0.338 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 131.9 | 173.7 | -31.3 | 39.1 | 0 | 0 | 0 | 112.4 | A791 L792 Q825 | A791-P823 VanDerWaalsContact O-CB 3.27Å; A791-P823 WeakPolarHBondContact O-CB 3.34Å; L792-P823 VanDerWaalsContact C-CG 3.48Å; L792-P823 VanDerWaalsContact O-CG 3.25Å; L792-P823 WeakPolarHBondContact O-CG 3.13Å; P823-Q825 PolarHBondContact O-N 3.39Å |
| 824 | R | 90.5 | Very high | 91.1 | Very high | 219 Ų | 219 | 59.3 Ų | 59.3 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 13.3 | -175.5 | -56.4 | -179 | 174.4 | 162.5 | -2 | 115.6 | N789 M822 | N789-R824 WeakPolarHBondContact O-CA 3.19Å; N789-R824 PolarHBondContact O-N 3.1Å; M822-R824 PolarHBondContact O-N 2.68Å |
| 825 | Q | 93.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | trans | -90.5 | 145.2 | 174.3 | -165.1 | -179.9 | 6.6 | 0 | 0 | 110.8 | N789 L821 M822 P823 | N789-Q825 PolarHBondContact N-O 2.59Å; L821-Q825 HydrophobicContact CD1-CB 3.89Å; L821-Q825 HydrophobicContact CD1-CG 3.87Å; L821-Q825 HydrophobicContact CG-CB 4.39Å; M822-Q825 HydrophobicContact CB-CB 4.32Å; M822-Q825 WeakPolarHBondContact O-CB 3.5Å; M822-Q825 PolarHBondContact O-N 2.97Å; P823-Q825 PolarHBondContact O-N 3.39Å | ||
| 826 | S | 94.2 | Very high | 91.6 | Very high | 65 Ų | 65 | 61 Ų | 61 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.4 | 169.7 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | L787 T788 | L787-S826 CarbonylContact O-C 3.48Å; L787-S826 VanDerWaalsContact O-CA 3.24Å; L787-S826 WeakPolarHBondContact O-CA 3.39Å; T788-S826 VanDerWaalsContact CG2-OG 3.32Å; T788-S826 WeakPolarHBondContact CG2-OG 3.35Å; T788-S826 PolarHBondContact OG1-OG 3.13Å |
| 827 | V | 94.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.4 | 174.7 | 66.4 | 0 | 0 | 0 | 0 | 110 | T786 L787 V817 L821 V829 | T786-V827 WeakPolarHBondContact CA-O 3.16Å; L787-V827 HydrophobicContact CB-CG1 4.01Å; L787-V827 HydrophobicContact CD1-CG1 4.41Å; L787-V827 PolarHBondContact N-O 2.9Å; L787-V827 PolarHBondContact O-N 3.15Å; V817-V827 HydrophobicContact CG1-CG1 4.05Å; L821-V827 HydrophobicContact CD1-CB 3.94Å; L821-V827 HydrophobicContact CD1-CG1 3.78Å; L821-V827 HydrophobicContact CD2-CG1 4.41Å; V827-V829 HydrophobicContact CG1-CG2 4.38Å; V827-V829 HydrophobicContact CG2-CG2 4.44Å |
| 828 | N | 94.1 | Very high | 91.8 | Very high | 123 Ų | 123 | 58.7 Ų | 58.7 | 66% | 0.658 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.6 | 173.8 | -66.9 | -27 | 0 | 0 | 0 | 109.5 | L785 T786 | L785-N828 CarbonylContact O-C 3.37Å; L785-N828 VanDerWaalsContact O-CA 3.31Å; L785-N828 WeakPolarHBondContact O-CA 3.37Å; T786-N828 WeakPolarHBondContact CB-OD1 3.13Å; T786-N828 VanDerWaalsContact CG2-OD1 3.31Å; T786-N828 WeakPolarHBondContact CG2-OD1 3.49Å; T786-N828 PolarHBondContact OG1-OD1 3.22Å |
| 829 | V | 93.5 | Very high | 92.4 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.6 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | L785 L787 L815 V817 V827 | L785-V829 PolarHBondContact N-O 3.03Å; L785-V829 PolarHBondContact O-N 3.32Å; L787-V829 HydrophobicContact CD1-CB 4.24Å; L787-V829 HydrophobicContact CD1-CG2 3.84Å; L815-V829 HydrophobicContact CD1-CB 4.32Å; L815-V829 HydrophobicContact CD1-CG1 3.7Å; V817-V829 HydrophobicContact CG2-CG2 4.11Å; V827-V829 HydrophobicContact CG1-CG2 4.38Å; V827-V829 HydrophobicContact CG2-CG2 4.44Å |
| 830 | S | 93.5 | Very high | 92.8 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.2 | 172.8 | -163.1 | 0 | 0 | 0 | 0 | 108.9 | F782 E784 | F782-S830 WeakPolarHBondContact CD1-OG 3.42Å; E784-S830 PolarHBondContact OE1-OG 2.75Å; E784-S830 VanDerWaalsContact OE1-OG 3.12Å; E784-S830 WeakPolarHBondContact OE2-CA 3.32Å; E784-S830 WeakPolarHBondContact OE2-CB 3.49Å; E784-S830 PolarHBondContact OE2-OG 2.51Å |
| 831 | L | 95.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.4 | -174.6 | -176.6 | 69.7 | 0 | 0 | 0 | 110.3 | F782 M783 I800 F802 P811 Q813 L833 | F782-L831 WeakPolarHBondContact CA-O 3.46Å; M783-L831 HydrophobicContact CB-CB 4.33Å; M783-L831 PolarHBondContact N-O 3.38Å; M783-L831 PolarHBondContact O-N 3.28Å; I800-L831 HydrophobicContact CD1-CD2 3.94Å; I800-L831 HydrophobicContact CG2-CD1 4.46Å; I800-L831 HydrophobicContact CG2-CD2 3.7Å; F802-L831 HydrophobicContact CZ-CD2 4.45Å; P811-L831 HydrophobicContact CB-CD1 4.21Å; P811-L831 HydrophobicContact CB-CD2 4.02Å; P811-L831 HydrophobicContact CB-CG 4.21Å; P811-L831 HydrophobicContact CG-CD2 4.05Å; Q813-L831 WeakPolarHBondContact O-CD1 3.37Å; L831-L833 HydrophobicContact CD2-CD2 4.16Å; L831-L833 HydrophobicContact CG-CD2 4.18Å; L831-L833 PolarHBondContact O-N 3.04Å |
| 832 | P | 96.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 8% | 0.078 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 131 | 179.2 | 26.5 | -32.4 | 0 | 0 | 0 | 111.4 | Q780 F782 T812 Q813 | Q780-P832 HydrophobicContact CG-CB 4.48Å; F782-P832 HydrophobicContact CD1-CB 4.02Å; F782-P832 HydrophobicContact CE1-CB 3.75Å; T812-P832 PolarHBondContact N-O 3.25Å; T812-P832 WeakPolarHBondContact OG1-CB 3.4Å; T812-P832 WeakPolarHBondContact OG1-CG 3.48Å; T812-P832 PolarHBondContact OG1-O 2.86Å; Q813-P832 HydrophobicContact CB-CG 4.15Å; Q813-P832 HydrophobicContact CG-CG 3.88Å |
| 833 | L | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.4 | -179.1 | -54 | -174.8 | 0 | 0 | 0 | 111.9 | F774 Q780 I781 M783 F802 L809 V810 P811 L831 | F774-L833 HydrophobicContact CD1-CD1 4.12Å; F774-L833 HydrophobicContact CE1-CD1 4.02Å; Q780-L833 PolarHBondContact NE2-O 3.48Å; I781-L833 HydrophobicContact CB-CB 4.2Å; I781-L833 HydrophobicContact CG2-CB 4.01Å; I781-L833 HydrophobicContact CG2-CD1 4.13Å; I781-L833 HydrophobicContact CG2-CG 4.45Å; I781-L833 PolarHBondContact O-N 3.38Å; M783-L833 HydrophobicContact CB-CD1 3.96Å; M783-L833 HydrophobicContact CB-CD2 4.4Å; M783-L833 HydrophobicContact CB-CG 4.23Å; F802-L833 HydrophobicContact CE2-CD1 3.77Å; F802-L833 HydrophobicContact CE2-CD2 3.49Å; F802-L833 VanDerWaalsContact CE2-CD2 3.49Å; F802-L833 HydrophobicContact CE2-CG 4.26Å; F802-L833 HydrophobicContact CZ-CD1 4.24Å; F802-L833 HydrophobicContact CZ-CD2 3.68Å; L809-L833 HydrophobicContact CD2-CB 4.45Å; L809-L833 HydrophobicContact CD2-CD1 4.42Å; V810-L833 CarbonylContact O-C 3.53Å; V810-L833 WeakPolarHBondContact O-CA 3.5Å; P811-L833 HydrophobicContact CB-CD2 4.26Å; P811-L833 HydrophobicContact CG-CD2 4.2Å; L831-L833 HydrophobicContact CD2-CD2 4.16Å; L831-L833 HydrophobicContact CG-CD2 4.18Å; L831-L833 PolarHBondContact O-N 3.04Å |
| 834 | A | 94.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 161 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L809 V810 T812 T836 | L809-A834 CarbonylContact C-O 3.55Å; L809-A834 VanDerWaalsContact CA-O 3.27Å; L809-A834 WeakPolarHBondContact CA-O 3.41Å; V810-A834 PolarHBondContact N-O 3.46Å; V810-A834 PolarHBondContact O-N 3.49Å; T812-A834 HydrophobicContact CG2-CB 3.38Å; A834-T836 VanDerWaalsContact C-N 3.35Å |
| 835 | T | 94.9 | Very high | 92.5 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -100 | 36.3 | 178 | 53.1 | 0 | 0 | 0 | 0 | 112 | I781 F807 G808 L809 L870 T939 | I781-T835 HydrophobicContact CD1-CG2 4.07Å; F807-T835 WeakPolarHBondContact O-CA 3.34Å; F807-T835 WeakPolarHBondContact O-CB 3.45Å; G808-T835 CarbonylContact O-C 3.47Å; G808-T835 VanDerWaalsContact O-CA 3.23Å; G808-T835 WeakPolarHBondContact O-CA 3.26Å; L809-T835 HydrophobicContact CD2-CG2 3.71Å; L809-T835 HydrophobicContact CG-CG2 4.28Å; T835-L870 HydrophobicContact CG2-CD2 4.06Å; T835-T939 HydrophobicContact CG2-CG2 4.01Å |
| 836 | T | 92.5 | Very high | 92.5 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | trans | -107.5 | 1.9 | -177.7 | 53 | 0 | 0 | 0 | 0 | 113.3 | G808 A834 | G808-T836 PolarHBondContact O-N 3.31Å; A834-T836 VanDerWaalsContact C-N 3.35Å | ||
| 837 | G | 89.9 | Confident | 92.6 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.2 | 176.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G808 V839 | G808-G837 WeakPolarHBondContact CA-O 3.41Å; G808-G837 VanDerWaalsContact O-CA 3.25Å; G808-G837 WeakPolarHBondContact O-CA 3.44Å; G808-G837 PolarHBondContact O-N 2.85Å; G837-V839 PolarHBondContact O-N 3.23Å |
| 838 | P | 86.9 | Confident | 92.6 | Very high | 76 Ų | 76 | 50.4 Ų | 50.4 | 49% | 0.494 | 29% | 0.294 | S | S | . | . | trans | -65.8 | 129.6 | 179.7 | 28.6 | -34.6 | 0 | 0 | 0 | 111 | K804 N805 | K804-P838 WeakPolarHBondContact CA-O 3.38Å; K804-P838 HydrophobicContact CD-CB 4.37Å; K804-P838 HydrophobicContact CG-CB 3.92Å; K804-P838 HydrophobicContact CG-CG 3.93Å; N805-P838 PolarHBondContact N-O 3.21Å | ||
| 839 | V | 90.9 | Very high | 92.7 | Very high | 99 Ų | 99 | 48.1 Ų | 48.1 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -94.9 | 132.3 | -176.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | N805 S806 G837 | N805-V839 VanDerWaalsContact O-CA 3.29Å; N805-V839 WeakPolarHBondContact O-CA 3.43Å; S806-V839 WeakPolarHBondContact O-CG1 3.28Å; G837-V839 PolarHBondContact O-N 3.23Å |
| 840 | M | 90.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | trans | -146.1 | 125 | 168.6 | -178.6 | 176.4 | -179 | 0 | 0 | 107.4 | E327 K804 N805 S806 M842 | E327-M840 WeakPolarHBondContact OE1-CE 3.25Å; K804-M840 HydrophobicContact CB-CB 3.56Å; K804-M840 HydrophobicContact CB-SD 4.45Å; K804-M840 HydrophobicContact CD-CB 4.27Å; K804-M840 HydrophobicContact CD-SD 4.45Å; N805-M840 CarbonylContact C-O 3.53Å; N805-M840 WeakPolarHBondContact CA-O 2.92Å; N805-M840 PolarHBondContact O-N 3.2Å; S806-M840 VanDerWaalsContact CA-O 3.29Å; S806-M840 WeakPolarHBondContact CA-O 3.33Å; S806-M840 PolarHBondContact N-O 3.4Å; M840-M842 PolarHBondContact O-N 3.39Å | ||
| 841 | K | 90.6 | Very high | 92.7 | Very high | 126 Ų | 126 | 45.7 Ų | 45.7 | 55% | 0.548 | 26% | 0.264 | S | S | . | . | trans | -63.4 | 121 | -179.2 | -178.1 | 176.4 | 171.8 | 178.1 | 0 | 109.2 | L845 D967 | K841-L845 HydrophobicContact CG-CD1 4.14Å; K841-D967 WeakPolarHBondContact CE-OD2 3.5Å; K841-D967 IonicContact NZ-OD1 2.85Å; K841-D967 IonicContact NZ-OD2 2.69Å; K841-D967 PolarHBondContact NZ-OD2 2.91Å | ||
| 842 | M | 90.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | trans | -97.9 | 157.8 | 177.5 | -57.3 | -60.6 | -72.7 | 0 | 0 | 110.4 | N805 S806 M840 P844 L845 N847 Q849 | N805-M842 HydrophobicContact CB-CG 4.33Å; S806-M842 WeakPolarHBondContact OG-CB 3.14Å; S806-M842 PolarHBondContact OG-N 2.9Å; M840-M842 PolarHBondContact O-N 3.39Å; M842-P844 CarbonylContact C-O 3.52Å; M842-P844 CarbonylContact O-C 3.49Å; M842-L845 VanDerWaalsContact O-CA 3.29Å; M842-L845 WeakPolarHBondContact O-CA 3.48Å; M842-L845 PolarHBondContact O-N 3.35Å; M842-N847 HydrophobicContact CB-CB 4.21Å; M842-N847 WeakPolarHBondContact CG-O 3.22Å; M842-Q849 HydrophobicContact CE-CG 4.2Å | ||
| 843 | V | 87.7 | Confident | 92.4 | Very high | 128 Ų | 128 | 50.7 Ų | 50.7 | 78% | 0.776 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -128.4 | 120.5 | 168 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | ||
| 844 | P | 89.8 | Confident | 92.1 | Very high | 75 Ų | 75 | 51 Ų | 51 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | S | Bend | cis | -55.9 | 154.8 | -9.1 | -24.4 | 34.9 | 0 | 0 | 0 | 113.7 | M842 M846 N847 L864 | M842-P844 CarbonylContact C-O 3.52Å; M842-P844 CarbonylContact O-C 3.49Å; P844-M846 PolarHBondContact O-N 3.49Å; P844-M846 VanDerWaalsContact O-N 3.11Å; P844-N847 WeakPolarHBondContact O-CB 3.32Å; P844-N847 PolarHBondContact O-N 3.34Å; P844-L864 HydrophobicContact CB-CD2 3.93Å; P844-L864 HydrophobicContact CG-CD2 4.13Å |
| 845 | L | 91.4 | Very high | 92 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.2 | -172.9 | -169.8 | 68.9 | 0 | 0 | 0 | 113.2 | S806 F807 K841 M842 M867 D967 V968 | S806-L845 WeakPolarHBondContact CB-O 3.39Å; S806-L845 PolarHBondContact OG-O 3.46Å; F807-L845 HydrophobicContact CE2-CD2 4.11Å; F807-L845 HydrophobicContact CE2-CG 3.97Å; F807-L845 HydrophobicContact CZ-CD2 4.02Å; F807-L845 HydrophobicContact CZ-CG 4.36Å; K841-L845 HydrophobicContact CG-CD1 4.14Å; M842-L845 VanDerWaalsContact O-CA 3.29Å; M842-L845 WeakPolarHBondContact O-CA 3.48Å; M842-L845 PolarHBondContact O-N 3.35Å; L845-M867 HydrophobicContact CD2-CE 4.05Å; L845-D967 HydrophobicContact CD2-CB 4.41Å; L845-V968 HydrophobicContact CD2-CG1 4.14Å |
| 846 | M | 94 | Very high | 91.7 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 12.7 | -179.1 | -62.2 | -58.6 | -69.5 | 0 | 0 | 114.3 | F807 P844 L848 V865 M867 L870 | F807-M846 HydrophobicContact CD2-SD 3.85Å; F807-M846 HydrophobicContact CE2-SD 3.37Å; F807-M846 WeakPolarHBondContact CE2-SD 3.46Å; F807-M846 HydrophobicContact CZ-SD 4.24Å; P844-M846 PolarHBondContact O-N 3.49Å; P844-M846 VanDerWaalsContact O-N 3.11Å; M846-L848 PolarHBondContact O-N 3.16Å; M846-V865 WeakPolarHBondContact CB-O 3.47Å; M846-V865 HydrophobicContact CE-CB 3.81Å; M846-V865 HydrophobicContact CE-CG1 3.83Å; M846-V865 WeakPolarHBondContact CE-O 3.33Å; M846-V865 PolarHBondContact O-N 3.35Å; M846-M867 HydrophobicContact CE-CB 4.11Å; M846-M867 HydrophobicContact CE-CG 4.36Å; M846-M867 HydrophobicContact CG-CB 4.42Å; M846-M867 HydrophobicContact CG-CE 3.5Å; M846-M867 VanDerWaalsContact CG-CE 3.5Å; M846-M867 HydrophobicContact SD-CB 4.3Å; M846-M867 HydrophobicContact SD-CE 3.27Å; M846-M867 WeakPolarHBondContact SD-CE 3.47Å; M846-M867 HydrophobicContact SD-CG 4.2Å; M846-L870 HydrophobicContact CE-CD1 3.57Å; M846-L870 HydrophobicContact CE-CG 4.17Å; M846-L870 HydrophobicContact SD-CD1 3.94Å |
| 847 | N | 95.4 | Very high | 91.6 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126 | 178.1 | -171 | 24.4 | 0 | 0 | 0 | 111.1 | M842 P844 L864 | M842-N847 HydrophobicContact CB-CB 4.21Å; M842-N847 WeakPolarHBondContact CG-O 3.22Å; P844-N847 WeakPolarHBondContact O-CB 3.32Å; P844-N847 PolarHBondContact O-N 3.34Å; N847-L864 HydrophobicContact CB-CD2 4.2Å |
| 848 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.1 | 179.2 | -179.3 | 65.2 | 0 | 0 | 0 | 109.9 | F774 F802 N805 L809 M846 I850 A862 T863 V865 | F774-L848 HydrophobicContact CE1-CD2 4.15Å; F774-L848 HydrophobicContact CZ-CD2 4.05Å; F802-L848 HydrophobicContact CB-CD1 4.21Å; F802-L848 HydrophobicContact CD2-CD1 3.9Å; F802-L848 HydrophobicContact CD2-CD2 3.92Å; F802-L848 HydrophobicContact CD2-CG 4.38Å; F802-L848 HydrophobicContact CE2-CD2 3.75Å; F802-L848 HydrophobicContact CG-CD1 4.17Å; F802-L848 HydrophobicContact CZ-CD2 4.2Å; N805-L848 HydrophobicContact CB-CD1 3.95Å; L809-L848 HydrophobicContact CB-CD1 4.44Å; M846-L848 PolarHBondContact O-N 3.16Å; L848-I850 HydrophobicContact CD2-CD1 3.91Å; L848-I850 HydrophobicContact CD2-CG1 4.17Å; L848-I850 HydrophobicContact CG-CD1 4.15Å; L848-I850 HydrophobicContact CG-CG1 3.91Å; L848-A862 CarbonylContact O-C 3.58Å; L848-A862 VanDerWaalsContact O-CA 3.25Å; L848-A862 WeakPolarHBondContact O-CA 3.39Å; L848-T863 HydrophobicContact CB-CG2 4.46Å; L848-T863 PolarHBondContact N-O 2.85Å; L848-T863 PolarHBondContact O-N 3.23Å; L848-V865 HydrophobicContact CB-CG2 3.62Å; L848-V865 HydrophobicContact CD2-CG2 3.7Å; L848-V865 HydrophobicContact CG-CG2 4.29Å |
| 849 | Q | 95.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.7 | 174.8 | -63.8 | 177.4 | -6.5 | 0 | 0 | 110.5 | N803 M842 A862 | N803-Q849 HydrophobicContact CB-CB 3.89Å; N803-Q849 PolarHBondContact N-O 3.47Å; N803-Q849 PolarHBondContact ND2-OE1 3.25Å; M842-Q849 HydrophobicContact CE-CG 4.2Å; Q849-A862 HydrophobicContact CG-CB 4.23Å |
| 850 | I | 95.9 | Very high | 92 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.9 | -169.9 | -55.8 | 178.3 | 0 | 0 | 0 | 109.5 | M783 I800 F802 L848 V852 Y860 F861 T863 | M783-I850 HydrophobicContact CE-CD1 3.44Å; M783-I850 VanDerWaalsContact CE-CD1 3.44Å; M783-I850 HydrophobicContact SD-CD1 4.17Å; I800-I850 HydrophobicContact CD1-CG2 3.85Å; I800-I850 HydrophobicContact CG1-CG2 3.8Å; F802-I850 HydrophobicContact CD1-CB 4.36Å; F802-I850 HydrophobicContact CD1-CD1 4.4Å; F802-I850 HydrophobicContact CD1-CG1 3.89Å; F802-I850 HydrophobicContact CD1-CG2 3.97Å; F802-I850 HydrophobicContact CE1-CD1 3.95Å; F802-I850 HydrophobicContact CE1-CG1 3.95Å; F802-I850 HydrophobicContact CE1-CG2 3.91Å; F802-I850 HydrophobicContact CZ-CD1 4.34Å; L848-I850 HydrophobicContact CD2-CD1 3.91Å; L848-I850 HydrophobicContact CD2-CG1 4.17Å; L848-I850 HydrophobicContact CG-CD1 4.15Å; L848-I850 HydrophobicContact CG-CG1 3.91Å; I850-V852 HydrophobicContact CG2-CG2 4.14Å; I850-Y860 WeakPolarHBondContact O-CA 3.3Å; I850-F861 HydrophobicContact CB-CD2 4.23Å; I850-F861 HydrophobicContact CB-CE1 4.41Å; I850-F861 HydrophobicContact CB-CE2 3.81Å; I850-F861 HydrophobicContact CB-CZ 3.91Å; I850-F861 HydrophobicContact CD1-CE2 3.87Å; I850-F861 HydrophobicContact CD1-CZ 4.46Å; I850-F861 HydrophobicContact CG1-CE2 4.34Å; I850-F861 HydrophobicContact CG2-CE1 4.13Å; I850-F861 HydrophobicContact CG2-CE2 3.99Å; I850-F861 HydrophobicContact CG2-CZ 3.61Å; I850-F861 PolarHBondContact N-O 2.93Å; I850-F861 PolarHBondContact O-N 3.07Å; I850-T863 HydrophobicContact CD1-CG2 4.08Å |
| 851 | A | 92.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I800 Q801 V858 F859 Y860 | I800-A851 CarbonylContact C-O 3.49Å; I800-A851 WeakPolarHBondContact CA-O 3.4Å; Q801-A851 PolarHBondContact N-O 3.45Å; Q801-A851 PolarHBondContact O-N 2.68Å; A851-V858 HydrophobicContact CB-CG1 4.36Å; A851-F859 CarbonylContact C-O 3.39Å; A851-F859 WeakPolarHBondContact CA-O 3.14Å; A851-Y860 HydrophobicContact CB-CD1 3.65Å; A851-Y860 HydrophobicContact CB-CE1 3.58Å |
| 852 | V | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.7 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | L768 I770 A799 I800 I850 F859 F861 | L768-V852 HydrophobicContact CD2-CG1 4.46Å; I770-V852 HydrophobicContact CD1-CB 4.14Å; I770-V852 HydrophobicContact CD1-CG1 4.04Å; I770-V852 HydrophobicContact CD1-CG2 3.96Å; A799-V852 CarbonylContact O-C 3.5Å; A799-V852 WeakPolarHBondContact O-CA 3.49Å; I800-V852 HydrophobicContact CB-CG2 4.43Å; I800-V852 HydrophobicContact CD1-CG2 3.91Å; I800-V852 HydrophobicContact CG1-CG2 3.84Å; I850-V852 HydrophobicContact CG2-CG2 4.14Å; V852-F859 PolarHBondContact N-O 3.49Å; V852-F859 PolarHBondContact O-N 3.45Å; V852-F861 HydrophobicContact CB-CE1 4.25Å; V852-F861 HydrophobicContact CG2-CE1 3.67Å; V852-F861 HydrophobicContact CG2-CZ 3.91Å |
| 853 | K | 90.9 | Very high | 92.5 | Very high | 118 Ų | 118 | 49 Ų | 49 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144 | 176.4 | 175.3 | 176.1 | 178.8 | -180 | 0 | 110.2 | F798 A799 D857 V858 | F798-K853 CarbonylContact C-O 3.44Å; F798-K853 VanDerWaalsContact CA-O 3.22Å; F798-K853 WeakPolarHBondContact CA-O 3.31Å; A799-K853 HydrophobicContact CB-CB 4.37Å; A799-K853 PolarHBondContact N-O 3.45Å; A799-K853 PolarHBondContact O-N 3.1Å; K853-D857 WeakPolarHBondContact CA-O 3.44Å; K853-V858 HydrophobicContact CB-CG1 4.46Å; K853-V858 HydrophobicContact CB-CG2 4.03Å; K853-V858 HydrophobicContact CD-CG2 4.13Å; K853-V858 HydrophobicContact CG-CG2 3.94Å |
| 854 | N | 91.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | trans | -136.9 | -167.2 | 161.9 | 67 | 9.5 | 0 | 0 | 0 | 110.2 | S796 F798 I856 D857 | S796-N854 CarbonylContact O-C 3.6Å; S796-N854 WeakPolarHBondContact O-CA 3.19Å; S796-N854 WeakPolarHBondContact O-CB 3.38Å; F798-N854 HydrophobicContact CD1-CB 3.96Å; F798-N854 HydrophobicContact CE1-CB 3.94Å; F798-N854 HydrophobicContact CG-CB 4.42Å; F798-N854 HydrophobicContact CZ-CB 4.38Å; N854-I856 PolarHBondContact O-N 3.43Å; N854-I856 WeakPolarHBondContact OD1-CA 3.5Å; N854-I856 WeakPolarHBondContact OD1-CB 3.41Å; N854-I856 PolarHBondContact OD1-N 3Å; N854-D857 PolarHBondContact N-O 2.86Å; N854-D857 PolarHBondContact OD1-N 3.06Å; N854-D857 PolarHBondContact OD1-O 3.27Å | ||
| 855 | N | 91.9 | Very high | 93 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -68.6 | -11.9 | 175.7 | 65.5 | -40.9 | 0 | 0 | 0 | 114.3 | P794 M795 S796 | P794-N855 PolarHBondContact O-ND2 2.93Å; P794-N855 VanDerWaalsContact O-ND2 3.11Å; M795-N855 VanDerWaalsContact CA-OD1 3.25Å; M795-N855 WeakPolarHBondContact CA-OD1 3.05Å; S796-N855 VanDerWaalsContact N-CG 3.34Å; S796-N855 PolarHBondContact N-OD1 3.33Å; S796-N855 WeakPolarHBondContact O-CB 3.12Å; S796-N855 PolarHBondContact O-N 2.96Å; S796-N855 PolarHBondContact O-OD1 3.26Å |
| 856 | I | 89.6 | Confident | 93.2 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -92.4 | -55 | 178.4 | -58.3 | -179.7 | 0 | 0 | 0 | 110.1 | K766 M795 N854 | K766-I856 HydrophobicContact CB-CG2 4.46Å; K766-I856 HydrophobicContact CD-CG2 4.28Å; M795-I856 HydrophobicContact CE-CD1 3.56Å; M795-I856 HydrophobicContact CG-CD1 3.62Å; M795-I856 HydrophobicContact CG-CG1 4.36Å; M795-I856 HydrophobicContact SD-CD1 4.22Å; N854-I856 PolarHBondContact O-N 3.43Å; N854-I856 WeakPolarHBondContact OD1-CA 3.5Å; N854-I856 WeakPolarHBondContact OD1-CB 3.41Å; N854-I856 PolarHBondContact OD1-N 3Å |
| 857 | D | 89.4 | Confident | 93.2 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | trans | -163.2 | -176.9 | -176.2 | -145.2 | -23.4 | 0 | 0 | 0 | 112.4 | K766 K853 N854 F859 | K766-D857 IonicContact NZ-OD2 3.82Å; K766-D857 PolarHBondContact NZ-OD2 3.39Å; K853-D857 WeakPolarHBondContact CA-O 3.44Å; N854-D857 PolarHBondContact N-O 2.86Å; N854-D857 PolarHBondContact OD1-N 3.06Å; N854-D857 PolarHBondContact OD1-O 3.27Å; D857-F859 HydrophobicContact CB-CE1 4.01Å; D857-F859 HydrophobicContact CB-CE2 4.28Å; D857-F859 HydrophobicContact CB-CZ 3.77Å | ||
| 858 | V | 90.8 | Very high | 93.2 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 28% | 0.279 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.9 | 166.1 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | A851 K853 Y860 | A851-V858 HydrophobicContact CB-CG1 4.36Å; K853-V858 HydrophobicContact CB-CG1 4.46Å; K853-V858 HydrophobicContact CB-CG2 4.03Å; K853-V858 HydrophobicContact CD-CG2 4.13Å; K853-V858 HydrophobicContact CG-CG2 3.94Å; V858-Y860 HydrophobicContact CB-CE2 4.17Å; V858-Y860 HydrophobicContact CG1-CE1 4.16Å; V858-Y860 HydrophobicContact CG1-CE2 3.78Å |
| 859 | F | 92.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.9 | -178.9 | -53.9 | -73.3 | 0 | 0 | 0 | 110.6 | L760 G765 K766 L768 A851 V852 D857 | L760-F859 HydrophobicContact CD2-CB 3.75Å; L760-F859 HydrophobicContact CD2-CD2 4.49Å; L760-F859 HydrophobicContact CD2-CG 4.03Å; G765-F859 WeakPolarHBondContact O-CE1 3.48Å; G765-F859 WeakPolarHBondContact O-CZ 3.39Å; K766-F859 HydrophobicContact CB-CE1 4.12Å; K766-F859 HydrophobicContact CB-CZ 4.18Å; K766-F859 HydrophobicContact CD-CE1 4.26Å; K766-F859 HydrophobicContact CG-CE1 4.1Å; L768-F859 HydrophobicContact CD2-CD2 4.04Å; L768-F859 HydrophobicContact CD2-CE2 4.12Å; A851-F859 CarbonylContact C-O 3.39Å; A851-F859 WeakPolarHBondContact CA-O 3.14Å; V852-F859 PolarHBondContact N-O 3.49Å; V852-F859 PolarHBondContact O-N 3.45Å; D857-F859 HydrophobicContact CB-CE1 4.01Å; D857-F859 HydrophobicContact CB-CE2 4.28Å; D857-F859 HydrophobicContact CB-CZ 3.77Å |
| 860 | Y | 93.3 | Very high | 93.2 | Very high | 160 Ų | 160 | 38.5 Ų | 38.5 | 63% | 0.627 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.9 | -179.2 | -57.5 | -90.3 | 0 | 0 | 0 | 110.3 | I850 A851 V858 | I850-Y860 WeakPolarHBondContact O-CA 3.3Å; A851-Y860 HydrophobicContact CB-CD1 3.65Å; A851-Y860 HydrophobicContact CB-CE1 3.58Å; V858-Y860 HydrophobicContact CB-CE2 4.17Å; V858-Y860 HydrophobicContact CG1-CE1 4.16Å; V858-Y860 HydrophobicContact CG1-CE2 3.78Å |
| 861 | F | 94.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168.2 | 175.6 | 57.5 | -86.7 | 0 | 0 | 0 | 110.6 | L759 L760 I770 I850 V852 | L759-F861 HydrophobicContact CB-CD2 3.87Å; L759-F861 HydrophobicContact CB-CE2 3.67Å; L759-F861 HydrophobicContact CB-CZ 4.45Å; L759-F861 HydrophobicContact CD1-CE2 4.13Å; L760-F861 HydrophobicContact CB-CD1 4.13Å; L760-F861 HydrophobicContact CB-CE1 4.42Å; L760-F861 HydrophobicContact CB-CG 4.47Å; L760-F861 HydrophobicContact CD1-CD1 4.44Å; L760-F861 HydrophobicContact CD2-CD1 4.49Å; I770-F861 HydrophobicContact CD1-CE1 3.97Å; I770-F861 HydrophobicContact CD1-CZ 4.22Å; I850-F861 HydrophobicContact CB-CD2 4.23Å; I850-F861 HydrophobicContact CB-CE1 4.41Å; I850-F861 HydrophobicContact CB-CE2 3.81Å; I850-F861 HydrophobicContact CB-CZ 3.91Å; I850-F861 HydrophobicContact CD1-CE2 3.87Å; I850-F861 HydrophobicContact CD1-CZ 4.46Å; I850-F861 HydrophobicContact CG1-CE2 4.34Å; I850-F861 HydrophobicContact CG2-CE1 4.13Å; I850-F861 HydrophobicContact CG2-CE2 3.99Å; I850-F861 HydrophobicContact CG2-CZ 3.61Å; I850-F861 PolarHBondContact N-O 2.93Å; I850-F861 PolarHBondContact O-N 3.07Å; V852-F861 HydrophobicContact CB-CE1 4.25Å; V852-F861 HydrophobicContact CG2-CE1 3.67Å; V852-F861 HydrophobicContact CG2-CZ 3.91Å |
| 862 | A | 93.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 38.2 Ų | 38.2 | 46% | 0.463 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L848 Q849 | L848-A862 CarbonylContact O-C 3.58Å; L848-A862 VanDerWaalsContact O-CA 3.25Å; L848-A862 WeakPolarHBondContact O-CA 3.39Å; Q849-A862 HydrophobicContact CG-CB 4.23Å |
| 863 | T | 94 | Very high | 93.3 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 155.3 | 179.5 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | L759 F774 L848 I850 | L759-T863 HydrophobicContact CD2-CG2 4.39Å; L759-T863 WeakPolarHBondContact CD2-OG1 3.47Å; F774-T863 HydrophobicContact CE2-CG2 3.92Å; F774-T863 HydrophobicContact CZ-CG2 3.9Å; L848-T863 HydrophobicContact CB-CG2 4.46Å; L848-T863 PolarHBondContact N-O 2.85Å; L848-T863 PolarHBondContact O-N 3.23Å; I850-T863 HydrophobicContact CD1-CG2 4.08Å |
| 864 | L | 94 | Very high | 93.4 | Very high | 106 Ų | 106 | 40.7 Ų | 40.7 | 56% | 0.555 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.2 | 173.3 | -67.3 | 177.3 | 0 | 0 | 0 | 109.2 | P844 N847 | P844-L864 HydrophobicContact CB-CD2 3.93Å; P844-L864 HydrophobicContact CG-CD2 4.13Å; N847-L864 HydrophobicContact CB-CD2 4.2Å |
| 865 | V | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 129.8 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | F774 L809 M846 L848 M867 I869 | F774-V865 HydrophobicContact CD1-CG1 4.29Å; F774-V865 HydrophobicContact CD2-CG1 4.44Å; F774-V865 HydrophobicContact CE1-CG2 4.08Å; F774-V865 HydrophobicContact CE2-CG2 4.03Å; F774-V865 HydrophobicContact CG-CG1 4.24Å; F774-V865 HydrophobicContact CZ-CG2 3.76Å; L809-V865 HydrophobicContact CD1-CB 4.45Å; L809-V865 HydrophobicContact CD1-CG1 4.02Å; L809-V865 HydrophobicContact CD1-CG2 4.08Å; M846-V865 WeakPolarHBondContact CB-O 3.47Å; M846-V865 HydrophobicContact CE-CB 3.81Å; M846-V865 HydrophobicContact CE-CG1 3.83Å; M846-V865 WeakPolarHBondContact CE-O 3.33Å; M846-V865 PolarHBondContact O-N 3.35Å; L848-V865 HydrophobicContact CB-CG2 3.62Å; L848-V865 HydrophobicContact CD2-CG2 3.7Å; L848-V865 HydrophobicContact CG-CG2 4.29Å; V865-M867 PolarHBondContact O-N 3.11Å; V865-I869 HydrophobicContact CG1-CD1 3.56Å; V865-I869 HydrophobicContact CG1-CG1 3.82Å |
| 866 | P | 94.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 129.6 | 174.4 | -22 | 31.7 | 0 | 0 | 0 | 111.2 | P754 F774 H868 I869 | P754-P866 HydrophobicContact CG-CB 4.14Å; P754-P866 HydrophobicContact CG-CG 3.73Å; F774-P866 HydrophobicContact CB-CG 4.43Å; F774-P866 HydrophobicContact CD2-CG 4.46Å; P866-H868 VanDerWaalsContact C-N 3.3Å; P866-H868 WeakPolarHBondContact CB-CE1 3.48Å; P866-H868 VanDerWaalsContact CB-ND1 3.28Å; P866-H868 WeakPolarHBondContact CB-ND1 3.37Å; P866-H868 PolarHBondContact O-N 2.89Å; P866-I869 WeakPolarHBondContact O-CG1 3.23Å; P866-I869 PolarHBondContact O-N 3.11Å |
| 867 | M | 95.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -69.5 | -26.3 | -172.3 | -169.3 | 165.2 | -76.9 | 0 | 0 | 113.7 | F807 L845 M846 V865 I869 L870 F871 V968 G971 V972 | F807-M867 HydrophobicContact CE2-CE 4.39Å; F807-M867 HydrophobicContact CZ-CE 4.3Å; L845-M867 HydrophobicContact CD2-CE 4.05Å; M846-M867 HydrophobicContact CE-CB 4.11Å; M846-M867 HydrophobicContact CE-CG 4.36Å; M846-M867 HydrophobicContact CG-CB 4.42Å; M846-M867 HydrophobicContact CG-CE 3.5Å; M846-M867 VanDerWaalsContact CG-CE 3.5Å; M846-M867 HydrophobicContact SD-CB 4.3Å; M846-M867 HydrophobicContact SD-CE 3.27Å; M846-M867 WeakPolarHBondContact SD-CE 3.47Å; M846-M867 HydrophobicContact SD-CG 4.2Å; V865-M867 PolarHBondContact O-N 3.11Å; M867-I869 PolarHBondContact O-N 3.31Å; M867-L870 WeakPolarHBondContact O-CB 3.41Å; M867-L870 PolarHBondContact O-N 2.81Å; M867-F871 HydrophobicContact CG-CE1 4.06Å; M867-V968 HydrophobicContact SD-CB 4.32Å; M867-G971 WeakPolarHBondContact CB-O 3.48Å; M867-G971 VanDerWaalsContact SD-C 3.55Å; M867-V972 HydrophobicContact SD-CG2 3.82Å |
| 868 | H | 94.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -63.2 | -25.4 | -178.1 | 70.9 | -66.1 | 0 | 0 | 0 | 113.8 | F752 P866 L870 F871 A975 I979 | F752-H868 AromaticContact CD1-CE1 3.98Å; F752-H868 AromaticContact CD1-NE2 3.73Å; F752-H868 PolarHBondContact O-NE2 2.97Å; P866-H868 VanDerWaalsContact C-N 3.3Å; P866-H868 WeakPolarHBondContact CB-CE1 3.48Å; P866-H868 VanDerWaalsContact CB-ND1 3.28Å; P866-H868 WeakPolarHBondContact CB-ND1 3.37Å; P866-H868 PolarHBondContact O-N 2.89Å; H868-L870 PolarHBondContact O-N 3.47Å; H868-L870 VanDerWaalsContact O-N 3.14Å; H868-F871 HydrophobicContact CB-CD2 3.95Å; H868-F871 HydrophobicContact CB-CE2 3.87Å; H868-F871 HydrophobicContact CB-CZ 4.47Å; H868-F871 WeakPolarHBondContact O-CB 3.38Å; H868-F871 WeakPolarHBondContact O-CG 3.48Å; H868-F871 PolarHBondContact O-N 3.06Å; H868-A975 HydrophobicContact CB-CB 4.02Å; H868-I979 HydrophobicContact CB-CD1 3.81Å |
| 869 | I | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -65.5 | -16.9 | 176.1 | 65.6 | 115 | 0 | 0 | 0 | 112.6 | F774 R776 I781 V865 P866 M867 | F774-I869 HydrophobicContact CB-CG2 4.12Å; R776-I869 HydrophobicContact CB-CB 4.44Å; R776-I869 PolarHBondContact NH1-O 3.33Å; I781-I869 HydrophobicContact CD1-CD1 4.13Å; I781-I869 HydrophobicContact CG1-CD1 4.32Å; I781-I869 WeakPolarHBondContact CG1-O 3.45Å; I781-I869 HydrophobicContact CG2-CD1 3.46Å; I781-I869 VanDerWaalsContact CG2-CD1 3.46Å; V865-I869 HydrophobicContact CG1-CD1 3.56Å; V865-I869 HydrophobicContact CG1-CG1 3.82Å; P866-I869 WeakPolarHBondContact O-CG1 3.23Å; P866-I869 PolarHBondContact O-N 3.11Å; M867-I869 PolarHBondContact O-N 3.31Å |
| 870 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -90 | -5 | 175.5 | -56.4 | -177.5 | 0 | 0 | 0 | 113.5 | I781 F807 L809 T835 M846 M867 H868 V872 L938 T939 | I781-L870 HydrophobicContact CD1-CD2 4.03Å; F807-L870 HydrophobicContact CB-CD1 4.03Å; F807-L870 HydrophobicContact CB-CD2 4.5Å; F807-L870 HydrophobicContact CD1-CD1 3.64Å; F807-L870 HydrophobicContact CD2-CD1 3.52Å; F807-L870 HydrophobicContact CE1-CD1 3.89Å; F807-L870 HydrophobicContact CE2-CD1 3.8Å; F807-L870 HydrophobicContact CG-CD1 3.44Å; F807-L870 VanDerWaalsContact CG-CD1 3.44Å; F807-L870 HydrophobicContact CZ-CD1 3.96Å; L809-L870 HydrophobicContact CD2-CD2 4.34Å; T835-L870 HydrophobicContact CG2-CD2 4.06Å; M846-L870 HydrophobicContact CE-CD1 3.57Å; M846-L870 HydrophobicContact CE-CG 4.17Å; M846-L870 HydrophobicContact SD-CD1 3.94Å; M867-L870 WeakPolarHBondContact O-CB 3.41Å; M867-L870 PolarHBondContact O-N 2.81Å; H868-L870 PolarHBondContact O-N 3.47Å; H868-L870 VanDerWaalsContact O-N 3.14Å; L870-V872 PolarHBondContact O-N 3.02Å; L870-L938 HydrophobicContact CB-CD2 4.46Å; L870-L938 CarbonylContact O-C 3.5Å; L870-L938 WeakPolarHBondContact O-CA 3.34Å; L870-T939 HydrophobicContact CB-CG2 4.4Å; L870-T939 HydrophobicContact CD2-CG2 4.31Å; L870-T939 WeakPolarHBondContact O-CG2 3.33Å; L870-T939 PolarHBondContact O-N 3.44Å |
| 871 | F | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -73.9 | 123.4 | 177.6 | -59.5 | -12.4 | 0 | 0 | 0 | 109.6 | R776 M867 H868 N916 N917 V918 M936 K937 L938 V972 A975 | R776-F871 WeakPolarHBondContact CD-O 3.4Å; R776-F871 PolarHBondContact NE-O 3.09Å; M867-F871 HydrophobicContact CG-CE1 4.06Å; H868-F871 HydrophobicContact CB-CD2 3.95Å; H868-F871 HydrophobicContact CB-CE2 3.87Å; H868-F871 HydrophobicContact CB-CZ 4.47Å; H868-F871 WeakPolarHBondContact O-CB 3.38Å; H868-F871 WeakPolarHBondContact O-CG 3.48Å; H868-F871 PolarHBondContact O-N 3.06Å; F871-N916 WeakPolarHBondContact CD2-O 3.33Å; F871-N917 HydrophobicContact CB-CB 3.85Å; F871-N917 PolarHBondContact O-ND2 3.39Å; F871-V918 HydrophobicContact CD2-CG2 3.58Å; F871-V918 HydrophobicContact CE2-CG2 3.65Å; F871-M936 HydrophobicContact CE1-SD 4.23Å; F871-M936 HydrophobicContact CE2-SD 4.09Å; F871-M936 HydrophobicContact CZ-SD 3.86Å; F871-K937 WeakPolarHBondContact CA-O 3.39Å; F871-L938 HydrophobicContact CD1-CD2 3.47Å; F871-L938 VanDerWaalsContact CD1-CD2 3.47Å; F871-L938 HydrophobicContact CE1-CD2 3.56Å; F871-V972 HydrophobicContact CE1-CG2 4.33Å; F871-V972 HydrophobicContact CZ-CG2 4.3Å; F871-A975 HydrophobicContact CE2-CB 4.09Å; F871-A975 HydrophobicContact CZ-CB 3.91Å |
| 872 | V | 94.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | trans | -96.2 | 154.9 | -175.8 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | L870 D874 G875 K937 T939 | L870-V872 PolarHBondContact O-N 3.02Å; V872-D874 VanDerWaalsContact C-N 3.26Å; V872-D874 WeakPolarHBondContact CG2-OD1 3.16Å; V872-D874 PolarHBondContact O-N 3.1Å; V872-G875 PolarHBondContact O-N 3.01Å; V872-K937 HydrophobicContact CG2-CB 3.7Å; V872-K937 HydrophobicContact CG2-CD 3.82Å; V872-K937 HydrophobicContact CG2-CG 3.75Å; V872-K937 VanDerWaalsContact CG2-O 3.31Å; V872-K937 WeakPolarHBondContact CG2-O 3.45Å; V872-K937 PolarHBondContact N-O 3.29Å; V872-T939 HydrophobicContact CG1-CG2 3.77Å | ||
| 873 | E | 92 | Very high | 92.9 | Very high | 79 Ų | 79 | 46.8 Ų | 46.8 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23.7 | -173 | -67.3 | 68.2 | -155.2 | 0 | 0 | 113.1 | R776 A779 G875 N917 F919 | R776-E873 IonicContact CZ-OE1 3.38Å; R776-E873 IonicContact CZ-OE2 2.67Å; R776-E873 IonicContact NE-OE1 3.56Å; R776-E873 PolarHBondContact NE-OE1 2.71Å; R776-E873 IonicContact NE-OE2 3.32Å; R776-E873 IonicContact NH2-OE1 3.96Å; R776-E873 PolarHBondContact NH2-OE1 2.96Å; R776-E873 IonicContact NH2-OE2 3.29Å; R776-E873 PolarHBondContact NH2-OE2 2.7Å; A779-E873 VanDerWaalsContact CA-OE1 3.26Å; A779-E873 WeakPolarHBondContact CA-OE1 3.48Å; A779-E873 VanDerWaalsContact CB-CD 3.5Å; A779-E873 HydrophobicContact CB-CG 4.32Å; A779-E873 WeakPolarHBondContact CB-OE2 3.45Å; E873-G875 PolarHBondContact O-N 2.95Å; E873-N917 PolarHBondContact OE1-ND2 3.43Å; E873-F919 WeakPolarHBondContact O-CZ 3.11Å |
| 874 | D | 92.5 | Very high | 92.7 | Very high | 94 Ų | 94 | 48.6 Ų | 48.6 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 29.3 | 174.1 | 72.4 | -35.4 | 0 | 0 | 0 | 112.7 | V872 E876 K937 W943 | V872-D874 VanDerWaalsContact C-N 3.26Å; V872-D874 WeakPolarHBondContact CG2-OD1 3.16Å; V872-D874 PolarHBondContact O-N 3.1Å; D874-E876 VanDerWaalsContact C-N 3.31Å; D874-K937 IonicContact OD1-NZ 2.74Å; D874-K937 IonicContact OD2-NZ 2.76Å; D874-K937 PolarHBondContact OD2-NZ 3.22Å; D874-W943 WeakPolarHBondContact O-CH2 3.37Å |
| 875 | G | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -83.2 | 3.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V872 E873 F919 S935 W943 | V872-G875 PolarHBondContact O-N 3.01Å; E873-G875 PolarHBondContact O-N 2.95Å; G875-F919 WeakPolarHBondContact O-CD2 3.44Å; G875-S935 CarbonylContact O-C 3.48Å; G875-S935 WeakPolarHBondContact O-CB 3.46Å; G875-S935 PolarHBondContact O-OG 2.92Å; G875-W943 VanDerWaalsContact O-CZ3 3.32Å; G875-W943 WeakPolarHBondContact O-CZ3 3.44Å | ||
| 876 | E | 94.7 | Very high | 92.4 | Very high | 123 Ų | 123 | 46.8 Ų | 46.8 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | trans | -84.1 | 124.6 | 176.3 | -170 | 170.5 | -169.9 | 0 | 0 | 110.6 | D874 F919 I921 | D874-E876 VanDerWaalsContact C-N 3.31Å; E876-F919 HydrophobicContact CB-CB 3.95Å; E876-F919 HydrophobicContact CB-CD1 3.89Å; E876-F919 HydrophobicContact CB-CD2 4.04Å; E876-F919 HydrophobicContact CB-CE1 4.41Å; E876-F919 HydrophobicContact CB-CG 3.68Å; E876-F919 HydrophobicContact CG-CB 3.99Å; E876-F919 HydrophobicContact CG-CD1 4.3Å; E876-F919 HydrophobicContact CG-CG 4.18Å; E876-I921 HydrophobicContact CG-CD1 4.02Å | ||
| 877 | M | 91.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -106.6 | 139.5 | -179.2 | -165.8 | 175.9 | -60.2 | 0 | 0 | 111.1 | V881 F882 I921 S935 W943 L945 | M877-V881 HydrophobicContact CG-CB 3.85Å; M877-V881 HydrophobicContact CG-CG1 3.77Å; M877-V881 HydrophobicContact SD-CB 4.24Å; M877-V881 HydrophobicContact SD-CG1 3.78Å; M877-F882 HydrophobicContact CG-CB 4.39Å; M877-F882 WeakPolarHBondContact SD-CA 3.49Å; M877-F882 HydrophobicContact SD-CB 4.11Å; M877-I921 WeakPolarHBondContact O-CD1 3.29Å; M877-S935 PolarHBondContact N-OG 3.3Å; M877-S935 VanDerWaalsContact N-OG 3.1Å; M877-W943 HydrophobicContact CB-CH2 4.43Å; M877-W943 HydrophobicContact CB-CZ3 4.05Å; M877-W943 HydrophobicContact CE-CB 4.48Å; M877-W943 HydrophobicContact CE-CD2 3.56Å; M877-W943 HydrophobicContact CE-CE3 3.17Å; M877-W943 HydrophobicContact CE-CG 4.15Å; M877-W943 HydrophobicContact CE-CH2 4.16Å; M877-W943 HydrophobicContact CE-CZ2 4.48Å; M877-W943 HydrophobicContact CE-CZ3 3.49Å; M877-W943 VanDerWaalsContact CE-CZ3 3.49Å; M877-L945 HydrophobicContact CE-CD2 3.73Å; M877-L945 HydrophobicContact SD-CD2 4.16Å | ||
| 878 | D | 91.6 | Very high | 91.9 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | trans | -60.9 | 142.2 | 171.3 | 179.6 | -89.1 | 0 | 0 | 0 | 110.8 | R880 V881 F882 | D878-R880 VanDerWaalsContact C-N 3.28Å; D878-R880 PolarHBondContact O-N 2.88Å; D878-R880 VanDerWaalsContact OD1-CB 3.31Å; D878-R880 WeakPolarHBondContact OD1-CB 3.09Å; D878-R880 PolarHBondContact OD1-N 3.48Å; D878-V881 HydrophobicContact CB-CB 4.34Å; D878-V881 HydrophobicContact CB-CG2 3.99Å; D878-V881 CarbonylContact O-C 3.18Å; D878-V881 WeakPolarHBondContact O-CA 3.36Å; D878-V881 WeakPolarHBondContact O-CB 3.27Å; D878-V881 PolarHBondContact O-N 3.3Å; D878-F882 PolarHBondContact O-N 3.39Å | ||
| 879 | K | 89.1 | Confident | 91.7 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.3 | -37.5 | -176.3 | -175.1 | 172.2 | -178.1 | 166 | 0 | 114 | L883 I921 | K879-L883 WeakPolarHBondContact O-CG 3.32Å; K879-L883 PolarHBondContact O-N 2.65Å; K879-L883 VanDerWaalsContact O-N 3.17Å; K879-I921 HydrophobicContact CB-CG2 3.97Å; K879-I921 HydrophobicContact CG-CG2 4.32Å |
| 880 | R | 87 | Confident | 91.4 | Very high | 175 Ų | 175 | 61.5 Ų | 61.5 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 177.3 | -62.2 | 178.6 | 178.2 | -179.7 | -1 | 110.4 | D878 A884 | D878-R880 VanDerWaalsContact C-N 3.28Å; D878-R880 PolarHBondContact O-N 2.88Å; D878-R880 VanDerWaalsContact OD1-CB 3.31Å; D878-R880 WeakPolarHBondContact OD1-CB 3.09Å; D878-R880 PolarHBondContact OD1-N 3.48Å; R880-A884 WeakPolarHBondContact O-CB 3.24Å; R880-A884 PolarHBondContact O-N 2.97Å |
| 881 | V | 90.4 | Very high | 90.9 | Very high | 74 Ų | 74 | 66 Ų | 66 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 178.3 | -176 | 0 | 0 | 0 | 0 | 110.7 | M877 D878 A884 T885 | M877-V881 HydrophobicContact CG-CB 3.85Å; M877-V881 HydrophobicContact CG-CG1 3.77Å; M877-V881 HydrophobicContact SD-CB 4.24Å; M877-V881 HydrophobicContact SD-CG1 3.78Å; D878-V881 HydrophobicContact CB-CB 4.34Å; D878-V881 HydrophobicContact CB-CG2 3.99Å; D878-V881 CarbonylContact O-C 3.18Å; D878-V881 WeakPolarHBondContact O-CA 3.36Å; D878-V881 WeakPolarHBondContact O-CB 3.27Å; D878-V881 PolarHBondContact O-N 3.3Å; V881-A884 PolarHBondContact O-N 3.28Å; V881-T885 VanDerWaalsContact O-CB 3.32Å; V881-T885 WeakPolarHBondContact O-CB 3.48Å; V881-T885 PolarHBondContact O-N 3.3Å; V881-T885 PolarHBondContact O-OG1 3.38Å |
| 882 | F | 93.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 73.4 Ų | 73.4 | 2% | 0.022 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 175.3 | -178.1 | -84.7 | 0 | 0 | 0 | 111.5 | M877 D878 A884 T885 W886 I921 Y933 Q934 L945 | M877-F882 HydrophobicContact CG-CB 4.39Å; M877-F882 WeakPolarHBondContact SD-CA 3.49Å; M877-F882 HydrophobicContact SD-CB 4.11Å; D878-F882 PolarHBondContact O-N 3.39Å; F882-A884 PolarHBondContact O-N 3.48Å; F882-T885 PolarHBondContact O-N 3.1Å; F882-W886 HydrophobicContact CE1-CB 4.46Å; F882-W886 HydrophobicContact CE1-CE3 4.17Å; F882-W886 AromaticContact CZ-CE3 3.81Å; F882-W886 HydrophobicContact CZ-CE3 3.81Å; F882-W886 HydrophobicContact CZ-CZ3 4.29Å; F882-W886 VanDerWaalsContact O-CB 3.32Å; F882-W886 WeakPolarHBondContact O-CB 3.46Å; F882-W886 PolarHBondContact O-N 3.47Å; F882-I921 HydrophobicContact CB-CG2 4.06Å; F882-I921 HydrophobicContact CD2-CB 4.45Å; F882-I921 HydrophobicContact CD2-CG1 4.04Å; F882-I921 HydrophobicContact CG-CG2 4.28Å; F882-Y933 AromaticContact CE1-CD1 3.84Å; F882-Y933 HydrophobicContact CE1-CD1 3.84Å; F882-Y933 HydrophobicContact CE1-CG 4.2Å; F882-Y933 HydrophobicContact CZ-CD1 4.13Å; F882-Y933 HydrophobicContact CZ-CG 4.5Å; F882-Q934 WeakPolarHBondContact CE2-O 3.4Å; F882-L945 HydrophobicContact CD2-CD2 3.76Å; F882-L945 HydrophobicContact CE2-CB 3.96Å; F882-L945 HydrophobicContact CE2-CD1 4.47Å; F882-L945 HydrophobicContact CE2-CD2 3.71Å; F882-L945 HydrophobicContact CE2-CG 4.25Å; F882-L945 HydrophobicContact CZ-CB 4.3Å |
| 883 | L | 88.2 | Confident | 90.3 | Very high | 74 Ų | 74 | 73.9 Ų | 73.9 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | -179.6 | -72.3 | 171 | 0 | 0 | 0 | 112.5 | F737 K879 K887 | F737-L883 HydrophobicContact CE2-CD1 4.43Å; K879-L883 WeakPolarHBondContact O-CG 3.32Å; K879-L883 PolarHBondContact O-N 2.65Å; K879-L883 VanDerWaalsContact O-N 3.17Å; L883-K887 WeakPolarHBondContact O-CG 3.22Å; L883-K887 PolarHBondContact O-N 3.48Å |
| 884 | A | 89.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R880 V881 F882 K887 D888 | R880-A884 WeakPolarHBondContact O-CB 3.24Å; R880-A884 PolarHBondContact O-N 2.97Å; V881-A884 PolarHBondContact O-N 3.28Å; F882-A884 PolarHBondContact O-N 3.48Å; A884-K887 PolarHBondContact O-N 3.15Å; A884-D888 WeakPolarHBondContact O-CB 3.32Å; A884-D888 PolarHBondContact O-N 3.48Å |
| 885 | T | 90.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 71.9 Ų | 71.9 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | -179 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | V881 F882 K887 D888 I889 L945 | V881-T885 VanDerWaalsContact O-CB 3.32Å; V881-T885 WeakPolarHBondContact O-CB 3.48Å; V881-T885 PolarHBondContact O-N 3.3Å; V881-T885 PolarHBondContact O-OG1 3.38Å; F882-T885 PolarHBondContact O-N 3.1Å; T885-K887 VanDerWaalsContact C-N 3.29Å; T885-K887 PolarHBondContact O-N 3Å; T885-D888 PolarHBondContact O-N 2.91Å; T885-I889 HydrophobicContact CG2-CD1 4.05Å; T885-I889 HydrophobicContact CG2-CG1 4.46Å; T885-I889 WeakPolarHBondContact O-CG1 3.37Å; T885-I889 PolarHBondContact O-N 3.22Å; T885-L945 HydrophobicContact CG2-CD1 3.94Å |
| 886 | W | 90.9 | Very high | 90.5 | Very high | 40 Ų | 40 | 77.9 Ų | 77.9 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 176.9 | -173.7 | -86.3 | 0 | 0 | 0 | 112.9 | F882 L945 E947 K962 | F882-W886 HydrophobicContact CE1-CB 4.46Å; F882-W886 HydrophobicContact CE1-CE3 4.17Å; F882-W886 AromaticContact CZ-CE3 3.81Å; F882-W886 HydrophobicContact CZ-CE3 3.81Å; F882-W886 HydrophobicContact CZ-CZ3 4.29Å; F882-W886 VanDerWaalsContact O-CB 3.32Å; F882-W886 WeakPolarHBondContact O-CB 3.46Å; F882-W886 PolarHBondContact O-N 3.47Å; W886-L945 HydrophobicContact CB-CD1 4.12Å; W886-L945 HydrophobicContact CE3-CB 3.59Å; W886-L945 HydrophobicContact CE3-CD1 3.9Å; W886-L945 HydrophobicContact CE3-CG 4.41Å; W886-L945 HydrophobicContact CZ3-CB 3.68Å; W886-E947 HydrophobicContact CH2-CB 3.81Å; W886-E947 HydrophobicContact CZ2-CB 4.32Å; W886-K962 HydrophobicContact CD2-CD 3.92Å; W886-K962 HydrophobicContact CE3-CB 4.39Å; W886-K962 HydrophobicContact CE3-CD 4.14Å; W886-K962 HydrophobicContact CG-CD 4.46Å; W886-K962 HydrophobicContact CH2-CB 4.48Å; W886-K962 HydrophobicContact CH2-CD 4.2Å; W886-K962 HydrophobicContact CH2-CG 4.11Å; W886-K962 HydrophobicContact CZ2-CD 3.98Å; W886-K962 HydrophobicContact CZ2-CG 4.31Å; W886-K962 HydrophobicContact CZ3-CB 4.14Å; W886-K962 HydrophobicContact CZ3-CD 4.28Å; W886-K962 HydrophobicContact CZ3-CG 4.23Å; W886-K962 PolarHBondContact O-NZ 3.13Å |
| 887 | K | 88.3 | Confident | 90.5 | Very high | 177 Ų | 177 | 73.7 Ų | 73.7 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.3 | -34.9 | 175.8 | -72.2 | -179.4 | 178.9 | -174.3 | 0 | 112.6 | L883 A884 T885 | L883-K887 WeakPolarHBondContact O-CG 3.22Å; L883-K887 PolarHBondContact O-N 3.48Å; A884-K887 PolarHBondContact O-N 3.15Å; T885-K887 VanDerWaalsContact C-N 3.29Å; T885-K887 PolarHBondContact O-N 3Å |
| 888 | D | 91.7 | Very high | 90.5 | Very high | 93 Ų | 93 | 77.6 Ų | 77.6 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.6 | -33.1 | 179.7 | -174.2 | 74.4 | 0 | 0 | 0 | 112.5 | A884 T885 P890 R964 | A884-D888 WeakPolarHBondContact O-CB 3.32Å; A884-D888 PolarHBondContact O-N 3.48Å; T885-D888 PolarHBondContact O-N 2.91Å; D888-P890 WeakPolarHBondContact O-CD 3.27Å; D888-R964 IonicContact OD2-CZ 2.64Å; D888-R964 IonicContact OD2-NH1 3.81Å; D888-R964 PolarHBondContact OD2-NH1 3.29Å; D888-R964 IonicContact OD2-NH2 3.78Å; D888-R964 PolarHBondContact OD2-NH2 2.94Å |
| 889 | I | 89.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -73.1 | 121.2 | 174.8 | -63.9 | 168.2 | 0 | 0 | 0 | 109.4 | T885 N893 L945 K962 R964 | T885-I889 HydrophobicContact CG2-CD1 4.05Å; T885-I889 HydrophobicContact CG2-CG1 4.46Å; T885-I889 WeakPolarHBondContact O-CG1 3.37Å; T885-I889 PolarHBondContact O-N 3.22Å; I889-N893 HydrophobicContact CG2-CB 3.78Å; I889-L945 HydrophobicContact CD1-CD1 4.05Å; I889-K962 HydrophobicContact CB-CD 4.35Å; I889-K962 HydrophobicContact CD1-CB 4.35Å; I889-K962 HydrophobicContact CG2-CB 4.2Å; I889-K962 HydrophobicContact CG2-CD 4.2Å; I889-K962 HydrophobicContact CG2-CG 4.43Å; I889-R964 HydrophobicContact CG1-CG 4.37Å |
| 890 | P | 88.4 | Confident | 90.2 | Very high | 61 Ų | 61 | 73.8 Ų | 73.8 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | trans | -53.1 | 144.7 | 179 | -28.7 | 36.8 | 0 | 0 | 0 | 113 | D888 Q892 N893 | D888-P890 WeakPolarHBondContact O-CD 3.27Å; P890-Q892 HydrophobicContact CB-CG 3.94Å; P890-Q892 PolarHBondContact O-N 3.43Å; P890-N893 WeakPolarHBondContact O-CB 3.39Å; P890-N893 PolarHBondContact O-N 2.74Å | ||
| 891 | S | 85.7 | Confident | 89.5 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -60.7 | -30 | 178.6 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | N893 E894 | S891-N893 PolarHBondContact O-N 2.86Å; S891-E894 WeakPolarHBondContact O-CB 3.45Å; S891-E894 PolarHBondContact O-N 3.11Å |
| 892 | Q | 88.9 | Confident | 88.6 | Confident | 154 Ų | 154 | 69.8 Ų | 69.8 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -63.3 | -18.3 | 174.4 | 72.4 | -162.5 | 6.3 | 0 | 0 | 113.7 | P890 E894 | P890-Q892 HydrophobicContact CB-CG 3.94Å; P890-Q892 PolarHBondContact O-N 3.43Å; Q892-E894 VanDerWaalsContact C-N 3.29Å |
| 893 | N | 90.8 | Very high | 87.6 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 14% | 0.139 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -91 | 8.8 | 174.8 | -69.5 | 38.6 | 0 | 0 | 0 | 112.3 | I889 P890 S891 S963 M966 H969 | I889-N893 HydrophobicContact CG2-CB 3.78Å; P890-N893 WeakPolarHBondContact O-CB 3.39Å; P890-N893 PolarHBondContact O-N 2.74Å; S891-N893 PolarHBondContact O-N 2.86Å; N893-S963 PolarHBondContact ND2-O 3.47Å; N893-M966 HydrophobicContact CB-CG 4.22Å; N893-M966 HydrophobicContact CB-SD 4.17Å; N893-H969 PolarHBondContact O-CE1 3.4Å; N893-H969 VanDerWaalsContact O-CE1 3.28Å |
| 894 | E | 92.4 | Very high | 87.4 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.4 | 172.7 | -165.7 | 171.2 | 162.7 | 0 | 0 | 110 | S891 Q892 S960 L961 K962 | S891-E894 WeakPolarHBondContact O-CB 3.45Å; S891-E894 PolarHBondContact O-N 3.11Å; Q892-E894 VanDerWaalsContact C-N 3.29Å; E894-S960 WeakPolarHBondContact OE1-CB 3.49Å; E894-L961 WeakPolarHBondContact CA-O 3.37Å; E894-K962 HydrophobicContact CB-CD 4.44Å; E894-K962 HydrophobicContact CB-CG 3.88Å; E894-K962 HydrophobicContact CG-CG 3.88Å; E894-K962 WeakPolarHBondContact OE2-CE 3.31Å; E894-K962 IonicContact OE2-NZ 3.87Å |
| 895 | Q | 93.6 | Very high | 87.1 | Confident | 77 Ų | 77 | 76 Ų | 76 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.7 | 174.1 | -163.2 | 172.5 | 4.3 | 0 | 0 | 110.2 | F897 S960 L961 H969 | Q895-F897 HydrophobicContact CB-CE2 3.85Å; Q895-F897 HydrophobicContact CB-CZ 4.06Å; Q895-F897 HydrophobicContact CG-CE1 4.18Å; Q895-F897 HydrophobicContact CG-CE2 3.77Å; Q895-F897 HydrophobicContact CG-CZ 3.53Å; Q895-S960 WeakPolarHBondContact O-CA 3.05Å; Q895-L961 PolarHBondContact N-O 3.05Å; Q895-L961 PolarHBondContact O-N 3.44Å; Q895-H969 PolarHBondContact OE1-ND1 3.02Å |
| 896 | Q | 94.5 | Very high | 86.9 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.7 | -179.3 | -61.9 | -169.7 | 3.4 | 0 | 0 | 110.9 | L959 S960 | Q896-L959 CarbonylContact C-O 3.32Å; Q896-L959 WeakPolarHBondContact CA-O 3.17Å; Q896-S960 WeakPolarHBondContact CG-OG 3.34Å |
| 897 | F | 93.9 | Very high | 86.8 | Confident | 36 Ų | 36 | 75.4 Ų | 75.4 | 16% | 0.158 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.8 | 179.1 | -57.8 | -84.1 | 0 | 0 | 0 | 109.7 | Q895 L959 L961 H969 Q973 | Q895-F897 HydrophobicContact CB-CE2 3.85Å; Q895-F897 HydrophobicContact CB-CZ 4.06Å; Q895-F897 HydrophobicContact CG-CE1 4.18Å; Q895-F897 HydrophobicContact CG-CE2 3.77Å; Q895-F897 HydrophobicContact CG-CZ 3.53Å; F897-L959 PolarHBondContact N-O 3.45Å; F897-L959 PolarHBondContact O-N 3.13Å; F897-L961 HydrophobicContact CD2-CD1 4.15Å; F897-L961 HydrophobicContact CD2-CG 4.37Å; F897-L961 HydrophobicContact CE2-CD1 3.88Å; F897-L961 HydrophobicContact CE2-CG 4.31Å; F897-H969 HydrophobicContact CE2-CB 4.09Å; F897-H969 HydrophobicContact CZ-CB 4.03Å; F897-Q973 HydrophobicContact CB-CG 3.72Å; F897-Q973 HydrophobicContact CD1-CB 4.26Å; F897-Q973 HydrophobicContact CD1-CG 3.75Å; F897-Q973 HydrophobicContact CD2-CB 4.17Å; F897-Q973 HydrophobicContact CD2-CG 4.18Å; F897-Q973 HydrophobicContact CE1-CB 4.47Å; F897-Q973 HydrophobicContact CE1-CG 4.37Å; F897-Q973 HydrophobicContact CE2-CB 4.4Å; F897-Q973 HydrophobicContact CG-CB 4.09Å; F897-Q973 HydrophobicContact CG-CG 3.61Å |
| 898 | T | 92 | Very high | 86.7 | Confident | 97 Ų | 97 | 68.4 Ų | 68.4 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.8 | 173.9 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | F957 | T898-F957 WeakPolarHBondContact CA-O 3.06Å |
| 899 | L | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.3 | 175.3 | -54.3 | 178.1 | 0 | 0 | 0 | 109.2 | P901 L948 S956 F957 L959 Q973 F976 D977 L980 | L899-P901 WeakPolarHBondContact O-CD 3.35Å; L899-L948 HydrophobicContact CD1-CD1 4.1Å; L899-S956 CarbonylContact O-C 3.54Å; L899-S956 WeakPolarHBondContact O-CA 3.45Å; L899-F957 HydrophobicContact CB-CB 4.39Å; L899-F957 PolarHBondContact N-O 3.19Å; L899-F957 PolarHBondContact O-N 3.46Å; L899-L959 HydrophobicContact CD1-CB 3.96Å; L899-L959 HydrophobicContact CD1-CD2 4.1Å; L899-L959 HydrophobicContact CG-CB 4.17Å; L899-Q973 HydrophobicContact CD2-CG 4.18Å; L899-F976 HydrophobicContact CD1-CB 3.84Å; L899-F976 HydrophobicContact CD1-CD1 4.3Å; L899-D977 HydrophobicContact CD2-CB 4.01Å; L899-L980 HydrophobicContact CD1-CD1 4.08Å |
| 900 | S | 83 | Confident | 86.7 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | trans | -121.3 | 63.6 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | N981 | S900-N981 PolarHBondContact O-OD1 3.32Š| ||
| 901 | P | 74.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | trans | -76.4 | 159.6 | -176.2 | 30.5 | -32.3 | 0 | 0 | 0 | 114 | L899 N903 L904 F957 L980 N981 | L899-P901 WeakPolarHBondContact O-CD 3.35Å; P901-N903 PolarHBondContact O-N 3.28Å; P901-L904 HydrophobicContact CB-CD1 4.45Å; P901-F957 HydrophobicContact CB-CE2 4.23Å; P901-F957 HydrophobicContact CG-CD1 4.09Å; P901-F957 HydrophobicContact CG-CD2 3.31Å; P901-F957 HydrophobicContact CG-CE1 4.01Å; P901-F957 HydrophobicContact CG-CE2 3.22Å; P901-F957 HydrophobicContact CG-CG 3.74Å; P901-F957 HydrophobicContact CG-CZ 3.6Å; P901-L980 HydrophobicContact CB-CB 3.93Å; P901-N981 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 902 | K | 70.2 | Confident | 87.1 | Confident | 158 Ų | 158 | 62.6 Ų | 62.6 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -76.5 | 88.6 | 177.5 | -65.4 | 176.9 | -177.2 | 166.7 | 0 | 111.9 | L904 | K902-L904 PolarHBondContact O-N 3.4Š|
| 903 | N | 73.3 | Confident | 87.4 | Confident | 146 Ų | 146 | 55.3 Ų | 55.3 | 78% | 0.781 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 36.2 | 65.5 | 168.9 | -74.5 | -5.6 | 0 | 0 | 0 | 114.7 | P901 | P901-N903 PolarHBondContact O-N 3.28Š|
| 904 | L | 82.7 | Confident | 87.5 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | trans | -99.6 | 140 | 177.2 | -67.6 | 176.4 | 0 | 0 | 0 | 111.4 | P901 K902 A908 C909 K912 F957 L980 | P901-L904 HydrophobicContact CB-CD1 4.45Å; K902-L904 PolarHBondContact O-N 3.4Å; L904-A908 HydrophobicContact CB-CB 4.47Å; L904-A908 HydrophobicContact CD2-CB 4.13Å; L904-C909 VanDerWaalsContact CB-SG 3.51Å; L904-K912 HydrophobicContact CD1-CD 4.06Å; L904-F957 HydrophobicContact CB-CE2 4.4Å; L904-F957 HydrophobicContact CB-CZ 4.28Å; L904-F957 WeakPolarHBondContact O-CZ 3.06Å; L904-L980 HydrophobicContact CD1-CB 4.1Å; L904-L980 HydrophobicContact CD1-CD2 3.96Å; L904-L980 VanDerWaalsContact CD1-O 3.24Å; L904-L980 WeakPolarHBondContact CD1-O 3.26Å | ||
| 905 | T | 84.9 | Confident | 87.4 | Confident | 92 Ų | 92 | 62 Ų | 62 | 56% | 0.564 | 32% | 0.32 | S | S | * | . | trans | -76.4 | 157.8 | 167.6 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | D907 A908 C909 | T905-D907 PolarHBondContact O-N 3.1Å; T905-D907 VanDerWaalsContact O-N 3.16Å; T905-A908 WeakPolarHBondContact O-CB 3.49Å; T905-A908 PolarHBondContact O-N 2.87Å; T905-A908 WeakPolarHBondContact OG1-CB 3.29Å; T905-A908 PolarHBondContact OG1-N 3.26Å; T905-C909 PolarHBondContact O-N 3.01Å; T905-C909 PolarHBondContact O-SG 3.22Å; T905-C909 VanDerWaalsContact O-SG 3.36Å | ||
| 906 | A | 86.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.3 | -33.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | S910 D930 L932 I950 | A906-S910 WeakPolarHBondContact O-CB 3.47Å; A906-S910 PolarHBondContact O-N 3.46Å; A906-S910 PolarHBondContact O-OG 3.46Å; A906-D930 HydrophobicContact CB-CB 3.66Å; A906-D930 VanDerWaalsContact CB-OD2 3.24Å; A906-D930 WeakPolarHBondContact CB-OD2 3.4Å; A906-L932 HydrophobicContact CB-CD1 4.2Å; A906-L932 HydrophobicContact CB-CD2 4.22Å; A906-L932 HydrophobicContact CB-CG 4.39Å; A906-L932 WeakPolarHBondContact O-CD1 3.48Å; A906-I950 HydrophobicContact CB-CD1 3.88Å |
| 907 | D | 87.2 | Confident | 87.5 | Confident | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 176.4 | -59.5 | -36.2 | 0 | 0 | 0 | 111.6 | M742 T905 S910 N911 K923 | M742-D907 HydrophobicContact CE-CB 4.42Å; T905-D907 PolarHBondContact O-N 3.1Å; T905-D907 VanDerWaalsContact O-N 3.16Å; D907-S910 PolarHBondContact O-N 3.04Å; D907-N911 WeakPolarHBondContact O-CB 3.35Å; D907-N911 VanDerWaalsContact O-CG 3.24Å; D907-N911 PolarHBondContact O-N 3.17Å; D907-N911 PolarHBondContact O-ND2 3.43Å; D907-K923 IonicContact OD1-NZ 2.67Å; D907-K923 PolarHBondContact OD1-NZ 3.31Å; D907-K923 IonicContact OD2-NZ 2.73Å; D907-K923 PolarHBondContact OD2-NZ 2.88Å |
| 908 | A | 87.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L904 T905 N911 K912 | L904-A908 HydrophobicContact CB-CB 4.47Å; L904-A908 HydrophobicContact CD2-CB 4.13Å; T905-A908 WeakPolarHBondContact O-CB 3.49Å; T905-A908 PolarHBondContact O-N 2.87Å; T905-A908 WeakPolarHBondContact OG1-CB 3.29Å; T905-A908 PolarHBondContact OG1-N 3.26Å; A908-N911 PolarHBondContact O-N 3.37Å; A908-K912 PolarHBondContact O-N 3.32Å |
| 909 | C | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 172.9 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | L904 T905 N911 K912 L913 L932 L948 I950 F957 L980 | L904-C909 VanDerWaalsContact CB-SG 3.51Å; T905-C909 PolarHBondContact O-N 3.01Å; T905-C909 PolarHBondContact O-SG 3.22Å; T905-C909 VanDerWaalsContact O-SG 3.36Å; C909-N911 VanDerWaalsContact C-N 3.29Å; C909-N911 PolarHBondContact O-N 3Å; C909-K912 PolarHBondContact O-N 2.88Å; C909-L913 VanDerWaalsContact O-CB 3.27Å; C909-L913 WeakPolarHBondContact O-CB 3.38Å; C909-L913 VanDerWaalsContact O-CG 3.29Å; C909-L913 WeakPolarHBondContact O-CG 3.23Å; C909-L913 PolarHBondContact O-N 3.41Å; C909-L932 HydrophobicContact CB-CD1 4.03Å; C909-L948 HydrophobicContact CB-CD2 4.38Å; C909-I950 HydrophobicContact CB-CD1 4.24Å; C909-F957 WeakPolarHBondContact SG-CE2 3.39Å; C909-L980 HydrophobicContact CB-CD2 4.05Å |
| 910 | S | 91.5 | Very high | 88.1 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -42 | -180 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | A906 D907 R914 T920 | A906-S910 WeakPolarHBondContact O-CB 3.47Å; A906-S910 PolarHBondContact O-N 3.46Å; A906-S910 PolarHBondContact O-OG 3.46Å; D907-S910 PolarHBondContact O-N 3.04Å; S910-R914 WeakPolarHBondContact O-CB 3.48Å; S910-R914 PolarHBondContact O-N 2.88Å; S910-T920 PolarHBondContact OG-OG1 3.25Å |
| 911 | N | 90.9 | Very high | 88.7 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 178.9 | -72.5 | -22.8 | 0 | 0 | 0 | 112.7 | D907 A908 C909 L913 R914 Q915 | D907-N911 WeakPolarHBondContact O-CB 3.35Å; D907-N911 VanDerWaalsContact O-CG 3.24Å; D907-N911 PolarHBondContact O-N 3.17Å; D907-N911 PolarHBondContact O-ND2 3.43Å; A908-N911 PolarHBondContact O-N 3.37Å; C909-N911 VanDerWaalsContact C-N 3.29Å; C909-N911 PolarHBondContact O-N 3Å; N911-L913 PolarHBondContact O-N 3.22Å; N911-R914 PolarHBondContact O-N 3.39Å; N911-Q915 VanDerWaalsContact O-CG 3.31Å; N911-Q915 WeakPolarHBondContact O-CG 3.4Å; N911-Q915 PolarHBondContact O-N 3.18Å; N911-Q915 VanDerWaalsContact O-N 3.12Å |
| 912 | K | 91.8 | Very high | 89.5 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.3 | -76.9 | -172.8 | 166.2 | -154.1 | 0 | 112.4 | L904 A908 C909 Q915 N916 I979 L980 H982 | L904-K912 HydrophobicContact CD1-CD 4.06Å; A908-K912 PolarHBondContact O-N 3.32Å; C909-K912 PolarHBondContact O-N 2.88Å; K912-Q915 PolarHBondContact O-N 3.23Å; K912-N916 PolarHBondContact O-ND2 3.15Å; K912-I979 HydrophobicContact CB-CG2 4.19Å; K912-L980 PolarHBondContact NZ-O 2.81Å; K912-H982 PolarHBondContact NZ-O 3.24Å; K912-H982 PolarHBondContact NZ-OXT 2.96Å |
| 913 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 178.7 | -73.7 | 169.7 | 0 | 0 | 0 | 111.2 | C909 N911 Q915 N916 N917 V918 L948 F976 I979 L980 | C909-L913 VanDerWaalsContact O-CB 3.27Å; C909-L913 WeakPolarHBondContact O-CB 3.38Å; C909-L913 VanDerWaalsContact O-CG 3.29Å; C909-L913 WeakPolarHBondContact O-CG 3.23Å; C909-L913 PolarHBondContact O-N 3.41Å; N911-L913 PolarHBondContact O-N 3.22Å; L913-Q915 VanDerWaalsContact C-N 3.29Å; L913-Q915 PolarHBondContact O-N 3.37Å; L913-N916 CarbonylContact O-C 3.57Å; L913-N916 WeakPolarHBondContact O-CA 3.16Å; L913-N916 PolarHBondContact O-N 3.35Å; L913-N917 PolarHBondContact O-N 2.9Å; L913-V918 CarbonylContact C-O 3.6Å; L913-V918 VanDerWaalsContact C-O 3.22Å; L913-V918 HydrophobicContact CB-CB 3.87Å; L913-V918 HydrophobicContact CB-CG1 3.97Å; L913-V918 HydrophobicContact CD2-CB 4.29Å; L913-V918 HydrophobicContact CD2-CG1 4.28Å; L913-V918 HydrophobicContact CD2-CG2 4.42Å; L913-V918 HydrophobicContact CG-CG1 4.5Å; L913-V918 WeakPolarHBondContact O-CB 3.45Å; L913-V918 PolarHBondContact O-N 2.93Å; L913-L948 HydrophobicContact CD1-CD2 4.27Å; L913-F976 HydrophobicContact CD1-CD1 4.24Å; L913-F976 HydrophobicContact CD1-CE1 3.8Å; L913-F976 HydrophobicContact CD1-CZ 4.41Å; L913-F976 HydrophobicContact CD2-CD1 4.04Å; L913-F976 HydrophobicContact CD2-CD2 4.41Å; L913-F976 HydrophobicContact CD2-CE1 3.98Å; L913-F976 HydrophobicContact CD2-CE2 4.36Å; L913-F976 HydrophobicContact CD2-CG 4.27Å; L913-F976 HydrophobicContact CD2-CZ 4.16Å; L913-I979 HydrophobicContact CD2-CG2 4.06Å; L913-L980 HydrophobicContact CD1-CD2 4.11Å; L913-L980 HydrophobicContact CD2-CD2 4.44Å; L913-L980 HydrophobicContact CG-CD2 4.02Å |
| 914 | R | 93.8 | Very high | 91.1 | Very high | 138 Ų | 138 | 44.9 Ų | 44.9 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -36.2 | 175.9 | -172.6 | 175.9 | -175.1 | -115.5 | 0.8 | 112.8 | S910 N911 N916 N917 V918 | S910-R914 WeakPolarHBondContact O-CB 3.48Å; S910-R914 PolarHBondContact O-N 2.88Å; N911-R914 PolarHBondContact O-N 3.39Å; R914-N916 PolarHBondContact O-N 3.34Å; R914-N917 PolarHBondContact O-N 3.46Å; R914-V918 WeakPolarHBondContact CA-O 3.47Å; R914-V918 PolarHBondContact N-O 3.22Å; R914-V918 VanDerWaalsContact N-O 3.16Å |
| 915 | Q | 90.4 | Very high | 91.1 | Very high | 83 Ų | 83 | 48 Ų | 48 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.5 | 174.5 | -71 | 164.6 | 8.4 | 0 | 0 | 113.5 | A749 A751 N911 K912 L913 | A749-Q915 HydrophobicContact CB-CG 4.26Å; A749-Q915 VanDerWaalsContact CB-NE2 3.29Å; A751-Q915 WeakPolarHBondContact CB-O 3.43Å; N911-Q915 VanDerWaalsContact O-CG 3.31Å; N911-Q915 WeakPolarHBondContact O-CG 3.4Å; N911-Q915 PolarHBondContact O-N 3.18Å; N911-Q915 VanDerWaalsContact O-N 3.12Å; K912-Q915 PolarHBondContact O-N 3.23Å; L913-Q915 VanDerWaalsContact C-N 3.29Å; L913-Q915 PolarHBondContact O-N 3.37Å |
| 916 | N | 93.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 26.6 | 179.3 | -66.4 | -81.1 | 0 | 0 | 0 | 111.7 | F752 F871 K912 L913 R914 V918 I979 | F752-N916 WeakPolarHBondContact CB-OD1 3.34Å; F752-N916 PolarHBondContact N-OD1 2.98Å; F871-N916 WeakPolarHBondContact CD2-O 3.33Å; K912-N916 PolarHBondContact O-ND2 3.15Å; L913-N916 CarbonylContact O-C 3.57Å; L913-N916 WeakPolarHBondContact O-CA 3.16Å; L913-N916 PolarHBondContact O-N 3.35Å; R914-N916 PolarHBondContact O-N 3.34Å; N916-V918 VanDerWaalsContact C-N 3.3Å; N916-V918 PolarHBondContact O-N 3.37Å; N916-I979 HydrophobicContact CB-CD1 3.6Å; N916-I979 HydrophobicContact CB-CG1 4.36Å |
| 917 | N | 95.5 | Very high | 90.2 | Very high | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 30.5 | 177.5 | -58.7 | -32.6 | 0 | 0 | 0 | 114.7 | F871 E873 L913 R914 F919 | F871-N917 HydrophobicContact CB-CB 3.85Å; F871-N917 PolarHBondContact O-ND2 3.39Å; E873-N917 PolarHBondContact OE1-ND2 3.43Å; L913-N917 PolarHBondContact O-N 2.9Å; R914-N917 PolarHBondContact O-N 3.46Å; N917-F919 VanDerWaalsContact C-CE2 3.49Å; N917-F919 HydrophobicContact CB-CE2 4.08Å; N917-F919 HydrophobicContact CB-CZ 4.27Å; N917-F919 WeakPolarHBondContact O-CD2 3.32Å; N917-F919 WeakPolarHBondContact O-CE2 3.48Å |
| 918 | V | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -107.9 | 114.8 | 167.7 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | F871 L913 R914 N916 Q934 M936 F976 | F871-V918 HydrophobicContact CD2-CG2 3.58Å; F871-V918 HydrophobicContact CE2-CG2 3.65Å; L913-V918 CarbonylContact C-O 3.6Å; L913-V918 VanDerWaalsContact C-O 3.22Å; L913-V918 HydrophobicContact CB-CB 3.87Å; L913-V918 HydrophobicContact CB-CG1 3.97Å; L913-V918 HydrophobicContact CD2-CB 4.29Å; L913-V918 HydrophobicContact CD2-CG1 4.28Å; L913-V918 HydrophobicContact CD2-CG2 4.42Å; L913-V918 HydrophobicContact CG-CG1 4.5Å; L913-V918 WeakPolarHBondContact O-CB 3.45Å; L913-V918 PolarHBondContact O-N 2.93Å; R914-V918 WeakPolarHBondContact CA-O 3.47Å; R914-V918 PolarHBondContact N-O 3.22Å; R914-V918 VanDerWaalsContact N-O 3.16Å; N916-V918 VanDerWaalsContact C-N 3.3Å; N916-V918 PolarHBondContact O-N 3.37Å; V918-Q934 HydrophobicContact CG1-CB 4.05Å; V918-M936 HydrophobicContact CG1-CE 3.93Å; V918-M936 HydrophobicContact CG2-CB 4.17Å; V918-M936 HydrophobicContact CG2-CE 4.31Å; V918-M936 HydrophobicContact CG2-SD 4.01Å; V918-F976 HydrophobicContact CG1-CE2 4.22Å; V918-F976 HydrophobicContact CG1-CZ 3.77Å; V918-F976 HydrophobicContact CG2-CE2 4.28Å | ||
| 919 | F | 97.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.1 | -166.2 | -58.8 | -88.3 | 0 | 0 | 0 | 111.4 | E873 G875 E876 N917 I921 Q934 S935 | E873-F919 WeakPolarHBondContact O-CZ 3.11Å; G875-F919 WeakPolarHBondContact O-CD2 3.44Å; E876-F919 HydrophobicContact CB-CB 3.95Å; E876-F919 HydrophobicContact CB-CD1 3.89Å; E876-F919 HydrophobicContact CB-CD2 4.04Å; E876-F919 HydrophobicContact CB-CE1 4.41Å; E876-F919 HydrophobicContact CB-CG 3.68Å; E876-F919 HydrophobicContact CG-CB 3.99Å; E876-F919 HydrophobicContact CG-CD1 4.3Å; E876-F919 HydrophobicContact CG-CG 4.18Å; N917-F919 VanDerWaalsContact C-CE2 3.49Å; N917-F919 HydrophobicContact CB-CE2 4.08Å; N917-F919 HydrophobicContact CB-CZ 4.27Å; N917-F919 WeakPolarHBondContact O-CD2 3.32Å; N917-F919 WeakPolarHBondContact O-CE2 3.48Å; F919-I921 HydrophobicContact CB-CD1 4.26Å; F919-I921 PolarHBondContact O-N 3.18Å; F919-Q934 CarbonylContact O-C 3.59Å; F919-Q934 WeakPolarHBondContact O-CA 3.49Å; F919-Q934 WeakPolarHBondContact O-CB 3.46Å; F919-S935 PolarHBondContact N-O 3.46Å; F919-S935 PolarHBondContact O-N 3.44Å |
| 920 | T | 95.9 | Very high | 89.4 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.4 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | S910 L932 Y933 Q934 | S910-T920 PolarHBondContact OG-OG1 3.25Å; T920-L932 HydrophobicContact CG2-CB 4.49Å; T920-L932 HydrophobicContact CG2-CD2 4.04Å; T920-Y933 CarbonylContact C-O 3.53Å; T920-Q934 PolarHBondContact OG1-NE2 3.04Å; T920-Q934 VanDerWaalsContact OG1-NE2 3.07Å |
| 921 | I | 94.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -35.5 | -175.6 | -53.8 | -45.3 | 0 | 0 | 0 | 111.6 | E876 M877 K879 F882 F919 Y933 S935 | E876-I921 HydrophobicContact CG-CD1 4.02Å; M877-I921 WeakPolarHBondContact O-CD1 3.29Å; K879-I921 HydrophobicContact CB-CG2 3.97Å; K879-I921 HydrophobicContact CG-CG2 4.32Å; F882-I921 HydrophobicContact CB-CG2 4.06Å; F882-I921 HydrophobicContact CD2-CB 4.45Å; F882-I921 HydrophobicContact CD2-CG1 4.04Å; F882-I921 HydrophobicContact CG-CG2 4.28Å; F919-I921 HydrophobicContact CB-CD1 4.26Å; F919-I921 PolarHBondContact O-N 3.18Å; I921-Y933 PolarHBondContact N-O 3.14Å; I921-S935 WeakPolarHBondContact CD1-OG 3.41Å |
| 922 | A | 90.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 52 Ų | 52 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 145.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y933 | A922-Y933 HydrophobicContact CB-CD2 4.07Å; A922-Y933 PolarHBondContact N-O 2.87Å; A922-Y933 PolarHBondContact O-N 3.18Å |
| 923 | K | 89.5 | Confident | 89.8 | Confident | 93 Ų | 93 | 51.8 Ų | 51.8 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.2 | 168.5 | -179.1 | 176.3 | -176.3 | -175.8 | 0 | 108.2 | D907 M931 L932 | D907-K923 IonicContact OD1-NZ 2.67Å; D907-K923 PolarHBondContact OD1-NZ 3.31Å; D907-K923 IonicContact OD2-NZ 2.73Å; D907-K923 PolarHBondContact OD2-NZ 2.88Å; K923-M931 CarbonylContact C-O 3.59Å; K923-M931 WeakPolarHBondContact CA-O 3.4Å; K923-L932 HydrophobicContact CB-CD2 3.98Å; K923-L932 HydrophobicContact CD-CD2 4.09Å; K923-L932 HydrophobicContact CG-CD2 3.77Å |
| 924 | R | 87.6 | Confident | 89.9 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.1 | 175.5 | -172.5 | -178.1 | -179.3 | -176.8 | 1.2 | 108.9 | L926 M931 Y933 | R924-L926 HydrophobicContact CG-CD1 4.26Å; R924-L926 HydrophobicContact CG-CG 4.08Å; R924-M931 HydrophobicContact CB-CB 4.36Å; R924-M931 PolarHBondContact N-O 3.43Å; R924-M931 WeakPolarHBondContact O-CB 3.44Å; R924-M931 PolarHBondContact O-N 3.08Å; R924-Y933 HydrophobicContact CB-CE2 4.33Å |
| 925 | N | 82.6 | Confident | 90.1 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.4 | 169 | -168 | -84.4 | 0 | 0 | 0 | 108.4 | G928 Q929 D930 | N925-G928 PolarHBondContact OD1-N 2.88Å; N925-Q929 CarbonylContact C-O 3.49Å; N925-Q929 WeakPolarHBondContact CA-O 3.34Å; N925-D930 PolarHBondContact ND2-OD1 2.93Å |
| 926 | L | 78.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 111.9 | -179 | -87.1 | 162.5 | 0 | 0 | 0 | 107.9 | R924 G928 Q929 M931 | R924-L926 HydrophobicContact CG-CD1 4.26Å; R924-L926 HydrophobicContact CG-CG 4.08Å; L926-G928 PolarHBondContact O-N 3.45Å; L926-G928 VanDerWaalsContact O-N 3.15Å; L926-Q929 PolarHBondContact N-O 3.18Å; L926-Q929 WeakPolarHBondContact O-CA 3.5Å; L926-Q929 VanDerWaalsContact O-CB 3.28Å; L926-Q929 WeakPolarHBondContact O-CB 3.28Å; L926-Q929 PolarHBondContact O-N 3.3Å; L926-M931 HydrophobicContact CD1-CG 4.13Å |
| 927 | D | 75 | Confident | 90.6 | Very high | 163 Ų | 163 | 42.8 Ų | 42.8 | 87% | 0.872 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 40.5 | 177.9 | -55.6 | -39.3 | 0 | 0 | 0 | 113.4 | Q929 | D927-Q929 VanDerWaalsContact C-N 3.26Å; D927-Q929 PolarHBondContact O-N 2.91Å |
| 928 | G | 74.9 | Confident | 90.6 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -12.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N925 L926 P952 | N925-G928 PolarHBondContact OD1-N 2.88Å; L926-G928 PolarHBondContact O-N 3.45Å; L926-G928 VanDerWaalsContact O-N 3.15Å; G928-P952 WeakPolarHBondContact O-CD 3.41Å; G928-P952 WeakPolarHBondContact O-CG 3.41Å |
| 929 | Q | 82.6 | Confident | 90.5 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.5 | 178 | -51.8 | -179.1 | -15.1 | 0 | 0 | 110.5 | N925 L926 D927 I950 Q951 | N925-Q929 CarbonylContact C-O 3.49Å; N925-Q929 WeakPolarHBondContact CA-O 3.34Å; L926-Q929 PolarHBondContact N-O 3.18Å; L926-Q929 WeakPolarHBondContact O-CA 3.5Å; L926-Q929 VanDerWaalsContact O-CB 3.28Å; L926-Q929 WeakPolarHBondContact O-CB 3.28Å; L926-Q929 PolarHBondContact O-N 3.3Å; D927-Q929 VanDerWaalsContact C-N 3.26Å; D927-Q929 PolarHBondContact O-N 2.91Å; Q929-I950 CarbonylContact C-O 3.5Å; Q929-I950 WeakPolarHBondContact CA-O 3.47Å; Q929-Q951 HydrophobicContact CG-CG 3.96Å; Q929-Q951 VanDerWaalsContact NE2-NE2 3.2Å |
| 930 | D | 89 | Confident | 90.3 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.193 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.4 | 174.6 | -83.9 | -27.1 | 0 | 0 | 0 | 110.1 | A906 N925 I950 | A906-D930 HydrophobicContact CB-CB 3.66Å; A906-D930 VanDerWaalsContact CB-OD2 3.24Å; A906-D930 WeakPolarHBondContact CB-OD2 3.4Å; N925-D930 PolarHBondContact ND2-OD1 2.93Å; D930-I950 HydrophobicContact CB-CB 4.22Å; D930-I950 PolarHBondContact N-O 2.93Å; D930-I950 PolarHBondContact O-N 2.94Å |
| 931 | M | 91.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.1 | 176.4 | -56.5 | -66.3 | -70.9 | 0 | 0 | 109.2 | K923 R924 L926 Y933 E947 K949 | K923-M931 CarbonylContact C-O 3.59Å; K923-M931 WeakPolarHBondContact CA-O 3.4Å; R924-M931 HydrophobicContact CB-CB 4.36Å; R924-M931 PolarHBondContact N-O 3.43Å; R924-M931 WeakPolarHBondContact O-CB 3.44Å; R924-M931 PolarHBondContact O-N 3.08Å; L926-M931 HydrophobicContact CD1-CG 4.13Å; M931-Y933 HydrophobicContact CB-CE2 4.16Å; M931-E947 HydrophobicContact CE-CG 3.63Å; M931-E947 VanDerWaalsContact CE-OE1 3.27Å; M931-E947 WeakPolarHBondContact CE-OE1 3.05Å; M931-E947 WeakPolarHBondContact CE-OE2 3.33Å; M931-K949 HydrophobicContact CE-CB 4.06Å; M931-K949 HydrophobicContact CE-CD 4.28Å; M931-K949 HydrophobicContact CE-CG 4.35Å; M931-K949 HydrophobicContact SD-CB 3.59Å; M931-K949 VanDerWaalsContact SD-CB 3.59Å; M931-K949 HydrophobicContact SD-CD 3.81Å; M931-K949 HydrophobicContact SD-CG 3.47Å; M931-K949 WeakPolarHBondContact SD-CG 3.48Å |
| 932 | L | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119 | 176.1 | -59.3 | 175.2 | 0 | 0 | 0 | 109.7 | A906 C909 T920 K923 Q934 E947 L948 I950 | A906-L932 HydrophobicContact CB-CD1 4.2Å; A906-L932 HydrophobicContact CB-CD2 4.22Å; A906-L932 HydrophobicContact CB-CG 4.39Å; A906-L932 WeakPolarHBondContact O-CD1 3.48Å; C909-L932 HydrophobicContact CB-CD1 4.03Å; T920-L932 HydrophobicContact CG2-CB 4.49Å; T920-L932 HydrophobicContact CG2-CD2 4.04Å; K923-L932 HydrophobicContact CB-CD2 3.98Å; K923-L932 HydrophobicContact CD-CD2 4.09Å; K923-L932 HydrophobicContact CG-CD2 3.77Å; L932-Q934 HydrophobicContact CB-CG 4.27Å; L932-E947 WeakPolarHBondContact O-CA 3.42Å; L932-L948 HydrophobicContact CB-CB 4.27Å; L932-L948 HydrophobicContact CD1-CD2 4.32Å; L932-L948 PolarHBondContact N-O 3.18Å; L932-L948 PolarHBondContact O-N 3.46Å; L932-I950 HydrophobicContact CD1-CD1 3.85Å; L932-I950 HydrophobicContact CG-CD1 4.5Å |
| 933 | Y | 96.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.2 | 174.1 | -65 | -80.2 | 0 | 0 | 0 | 109.1 | F882 T920 I921 A922 R924 M931 E947 | F882-Y933 AromaticContact CE1-CD1 3.84Å; F882-Y933 HydrophobicContact CE1-CD1 3.84Å; F882-Y933 HydrophobicContact CE1-CG 4.2Å; F882-Y933 HydrophobicContact CZ-CD1 4.13Å; F882-Y933 HydrophobicContact CZ-CG 4.5Å; T920-Y933 CarbonylContact C-O 3.53Å; I921-Y933 PolarHBondContact N-O 3.14Å; A922-Y933 HydrophobicContact CB-CD2 4.07Å; A922-Y933 PolarHBondContact N-O 2.87Å; A922-Y933 PolarHBondContact O-N 3.18Å; R924-Y933 HydrophobicContact CB-CE2 4.33Å; M931-Y933 HydrophobicContact CB-CE2 4.16Å; Y933-E947 HydrophobicContact CD1-CB 4.42Å; Y933-E947 HydrophobicContact CD1-CG 4.21Å; Y933-E947 HydrophobicContact CE1-CB 4.34Å; Y933-E947 HydrophobicContact CE1-CG 3.79Å; Y933-E947 WeakPolarHBondContact CE1-OE2 3.32Å; Y933-E947 VanDerWaalsContact CZ-OE2 3.29Å; Y933-E947 PolarHBondContact OH-OE2 3Å |
| 934 | Q | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145 | -168.3 | -54.7 | -179.3 | -43.8 | 0 | 0 | 112.5 | F882 V918 F919 T920 L932 A946 F976 | F882-Q934 WeakPolarHBondContact CE2-O 3.4Å; V918-Q934 HydrophobicContact CG1-CB 4.05Å; F919-Q934 CarbonylContact O-C 3.59Å; F919-Q934 WeakPolarHBondContact O-CA 3.49Å; F919-Q934 WeakPolarHBondContact O-CB 3.46Å; T920-Q934 PolarHBondContact OG1-NE2 3.04Å; T920-Q934 VanDerWaalsContact OG1-NE2 3.07Å; L932-Q934 HydrophobicContact CB-CG 4.27Å; Q934-A946 HydrophobicContact CB-CB 4.28Å; Q934-A946 PolarHBondContact N-O 3.17Å; Q934-A946 PolarHBondContact O-N 3.03Å; Q934-F976 VanDerWaalsContact OE1-CE1 3.23Å |
| 935 | S | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.1 | 173.6 | 67.6 | 0 | 0 | 0 | 0 | 111 | G875 M877 F919 I921 | G875-S935 CarbonylContact O-C 3.48Å; G875-S935 WeakPolarHBondContact O-CB 3.46Å; G875-S935 PolarHBondContact O-OG 2.92Å; M877-S935 PolarHBondContact N-OG 3.3Å; M877-S935 VanDerWaalsContact N-OG 3.1Å; F919-S935 PolarHBondContact N-O 3.46Å; F919-S935 PolarHBondContact O-N 3.44Å; I921-S935 WeakPolarHBondContact CD1-OG 3.41Å |
| 936 | M | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 159.1 | 168 | 69.8 | -147.5 | 77.4 | 0 | 0 | 109.7 | F871 V918 V944 A946 V972 F976 | F871-M936 HydrophobicContact CE1-SD 4.23Å; F871-M936 HydrophobicContact CE2-SD 4.09Å; F871-M936 HydrophobicContact CZ-SD 3.86Å; V918-M936 HydrophobicContact CG1-CE 3.93Å; V918-M936 HydrophobicContact CG2-CB 4.17Å; V918-M936 HydrophobicContact CG2-CE 4.31Å; V918-M936 HydrophobicContact CG2-SD 4.01Å; M936-V944 HydrophobicContact CG-CB 3.89Å; M936-V944 PolarHBondContact N-O 3.24Å; M936-V944 PolarHBondContact O-N 2.88Å; M936-V944 HydrophobicContact SD-CB 4.32Å; M936-A946 HydrophobicContact CE-CB 3.92Å; M936-V972 HydrophobicContact CE-CG1 4.4Å; M936-V972 HydrophobicContact SD-CG1 3.74Å; M936-F976 HydrophobicContact CE-CE2 3.64Å; M936-F976 HydrophobicContact CE-CZ 3.79Å; M936-F976 HydrophobicContact SD-CE2 3.95Å |
| 937 | K | 97.2 | Very high | 92.7 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139 | 180 | -176 | -175.2 | 178.4 | -175.4 | 0 | 108.9 | F871 V872 D874 I942 W943 | F871-K937 WeakPolarHBondContact CA-O 3.39Å; V872-K937 HydrophobicContact CG2-CB 3.7Å; V872-K937 HydrophobicContact CG2-CD 3.82Å; V872-K937 HydrophobicContact CG2-CG 3.75Å; V872-K937 VanDerWaalsContact CG2-O 3.31Å; V872-K937 WeakPolarHBondContact CG2-O 3.45Å; V872-K937 PolarHBondContact N-O 3.29Å; D874-K937 IonicContact OD1-NZ 2.74Å; D874-K937 IonicContact OD2-NZ 2.76Å; D874-K937 PolarHBondContact OD2-NZ 3.22Å; K937-I942 CarbonylContact C-O 3.59Å; K937-I942 WeakPolarHBondContact CA-O 3.48Å; K937-W943 HydrophobicContact CB-CD2 4.14Å; K937-W943 HydrophobicContact CB-CE3 4.01Å; K937-W943 HydrophobicContact CB-CH2 4.37Å; K937-W943 HydrophobicContact CB-CZ2 4.47Å; K937-W943 HydrophobicContact CB-CZ3 4.15Å; K937-W943 HydrophobicContact CD-CD2 4.43Å; K937-W943 HydrophobicContact CD-CH2 4.24Å; K937-W943 HydrophobicContact CD-CZ2 3.73Å; K937-W943 HydrophobicContact CG-CD2 4.22Å; K937-W943 HydrophobicContact CG-CZ2 4.39Å |
| 938 | L | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -88.3 | 161.8 | 175.4 | -56.3 | -172.8 | 0 | 0 | 0 | 110.9 | F807 L870 F871 N940 G941 I942 V968 | F807-L938 HydrophobicContact CE1-CD1 3.88Å; F807-L938 HydrophobicContact CZ-CD1 4.21Å; L870-L938 HydrophobicContact CB-CD2 4.46Å; L870-L938 CarbonylContact O-C 3.5Å; L870-L938 WeakPolarHBondContact O-CA 3.34Å; F871-L938 HydrophobicContact CD1-CD2 3.47Å; F871-L938 VanDerWaalsContact CD1-CD2 3.47Å; F871-L938 HydrophobicContact CE1-CD2 3.56Å; L938-N940 WeakPolarHBondContact CB-OD1 3.47Å; L938-N940 PolarHBondContact O-N 3.47Å; L938-N940 VanDerWaalsContact O-N 3.09Å; L938-G941 PolarHBondContact O-N 2.76Å; L938-I942 HydrophobicContact CB-CB 4.39Å; L938-I942 HydrophobicContact CD1-CB 4.24Å; L938-I942 HydrophobicContact CD1-CG2 4.42Å; L938-I942 HydrophobicContact CG-CB 4.41Å; L938-I942 PolarHBondContact N-O 2.56Å; L938-V968 HydrophobicContact CD1-CB 4.28Å; L938-V968 HydrophobicContact CD1-CG1 3.86Å |
| 939 | T | 94.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 24% | 0.239 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26 | 178 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | I781 T835 L870 V872 G941 | I781-T939 HydrophobicContact CD1-CG2 4.4Å; T835-T939 HydrophobicContact CG2-CG2 4.01Å; L870-T939 HydrophobicContact CB-CG2 4.4Å; L870-T939 HydrophobicContact CD2-CG2 4.31Å; L870-T939 WeakPolarHBondContact O-CG2 3.33Å; L870-T939 PolarHBondContact O-N 3.44Å; V872-T939 HydrophobicContact CG1-CG2 3.77Å; T939-G941 VanDerWaalsContact C-N 3.32Å |
| 940 | N | 92.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 24.5 Ų | 24.5 | 46% | 0.455 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.6 | 176.6 | 67 | -3.1 | 0 | 0 | 0 | 113.7 | L938 I942 | L938-N940 WeakPolarHBondContact CB-OD1 3.47Å; L938-N940 PolarHBondContact O-N 3.47Å; L938-N940 VanDerWaalsContact O-N 3.09Å; N940-I942 VanDerWaalsContact ND2-CD1 3.27Å; N940-I942 WeakPolarHBondContact ND2-CD1 3.5Å; N940-I942 WeakPolarHBondContact OD1-CB 3.29Å; N940-I942 VanDerWaalsContact OD1-CG1 3.3Å; N940-I942 WeakPolarHBondContact OD1-CG1 3.23Å; N940-I942 PolarHBondContact OD1-N 2.84Å |
| 941 | G | 92.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | S | Bend | trans | 88.6 | 2.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L938 T939 W943 | L938-G941 PolarHBondContact O-N 2.76Å; T939-G941 VanDerWaalsContact C-N 3.32Å; G941-W943 PolarHBondContact O-N 2.7Å |
| 942 | I | 94.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 19% | 0.185 | 15% | 0.148 | C | C | . | . | trans | -68.7 | 128.9 | 174.4 | -65 | 174.9 | 0 | 0 | 0 | 109.4 | K937 L938 N940 V944 T965 V968 | K937-I942 CarbonylContact C-O 3.59Å; K937-I942 WeakPolarHBondContact CA-O 3.48Å; L938-I942 HydrophobicContact CB-CB 4.39Å; L938-I942 HydrophobicContact CD1-CB 4.24Å; L938-I942 HydrophobicContact CD1-CG2 4.42Å; L938-I942 HydrophobicContact CG-CB 4.41Å; L938-I942 PolarHBondContact N-O 2.56Å; N940-I942 VanDerWaalsContact ND2-CD1 3.27Å; N940-I942 WeakPolarHBondContact ND2-CD1 3.5Å; N940-I942 WeakPolarHBondContact OD1-CB 3.29Å; N940-I942 VanDerWaalsContact OD1-CG1 3.3Å; N940-I942 WeakPolarHBondContact OD1-CG1 3.23Å; N940-I942 PolarHBondContact OD1-N 2.84Å; I942-V944 HydrophobicContact CG2-CG2 4.4Å; I942-T965 HydrophobicContact CD1-CG2 4.17Å; I942-V968 HydrophobicContact CD1-CG1 4.48Å | ||
| 943 | W | 96.1 | Very high | 92.1 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 138.9 | 172.7 | -73.4 | 91.4 | 0 | 0 | 0 | 110.8 | D874 G875 M877 K937 G941 S963 | D874-W943 WeakPolarHBondContact O-CH2 3.37Å; G875-W943 VanDerWaalsContact O-CZ3 3.32Å; G875-W943 WeakPolarHBondContact O-CZ3 3.44Å; M877-W943 HydrophobicContact CB-CH2 4.43Å; M877-W943 HydrophobicContact CB-CZ3 4.05Å; M877-W943 HydrophobicContact CE-CB 4.48Å; M877-W943 HydrophobicContact CE-CD2 3.56Å; M877-W943 HydrophobicContact CE-CE3 3.17Å; M877-W943 HydrophobicContact CE-CG 4.15Å; M877-W943 HydrophobicContact CE-CH2 4.16Å; M877-W943 HydrophobicContact CE-CZ2 4.48Å; M877-W943 HydrophobicContact CE-CZ3 3.49Å; M877-W943 VanDerWaalsContact CE-CZ3 3.49Å; K937-W943 HydrophobicContact CB-CD2 4.14Å; K937-W943 HydrophobicContact CB-CE3 4.01Å; K937-W943 HydrophobicContact CB-CH2 4.37Å; K937-W943 HydrophobicContact CB-CZ2 4.47Å; K937-W943 HydrophobicContact CB-CZ3 4.15Å; K937-W943 HydrophobicContact CD-CD2 4.43Å; K937-W943 HydrophobicContact CD-CH2 4.24Å; K937-W943 HydrophobicContact CD-CZ2 3.73Å; K937-W943 HydrophobicContact CG-CD2 4.22Å; K937-W943 HydrophobicContact CG-CZ2 4.39Å; G941-W943 PolarHBondContact O-N 2.7Å; W943-S963 PolarHBondContact O-OG 2.8Å |
| 944 | V | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.2 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 108 | M936 I942 L961 V968 V972 | M936-V944 HydrophobicContact CG-CB 3.89Å; M936-V944 PolarHBondContact N-O 3.24Å; M936-V944 PolarHBondContact O-N 2.88Å; M936-V944 HydrophobicContact SD-CB 4.32Å; I942-V944 HydrophobicContact CG2-CG2 4.4Å; V944-L961 HydrophobicContact CG1-CD2 4.28Å; V944-V968 HydrophobicContact CG2-CG2 3.57Å; V944-V972 HydrophobicContact CG1-CG1 4.35Å; V944-V972 HydrophobicContact CG1-CG2 4.32Å; V944-V972 HydrophobicContact CG2-CG2 4.31Å |
| 945 | L | 97.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.2 | 175.8 | -49.9 | 179.6 | 0 | 0 | 0 | 108.4 | M877 F882 T885 W886 I889 L961 K962 | M877-L945 HydrophobicContact CE-CD2 3.73Å; M877-L945 HydrophobicContact SD-CD2 4.16Å; F882-L945 HydrophobicContact CD2-CD2 3.76Å; F882-L945 HydrophobicContact CE2-CB 3.96Å; F882-L945 HydrophobicContact CE2-CD1 4.47Å; F882-L945 HydrophobicContact CE2-CD2 3.71Å; F882-L945 HydrophobicContact CE2-CG 4.25Å; F882-L945 HydrophobicContact CZ-CB 4.3Å; T885-L945 HydrophobicContact CG2-CD1 3.94Å; W886-L945 HydrophobicContact CB-CD1 4.12Å; W886-L945 HydrophobicContact CE3-CB 3.59Å; W886-L945 HydrophobicContact CE3-CD1 3.9Å; W886-L945 HydrophobicContact CE3-CG 4.41Å; W886-L945 HydrophobicContact CZ3-CB 3.68Å; I889-L945 HydrophobicContact CD1-CD1 4.05Å; L945-L961 WeakPolarHBondContact O-CA 3.49Å; L945-K962 HydrophobicContact CB-CB 4.42Å; L945-K962 PolarHBondContact N-O 3.19Å; L945-K962 PolarHBondContact O-N 3.33Å |
| 946 | A | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q934 M936 L959 S960 L961 F976 | Q934-A946 HydrophobicContact CB-CB 4.28Å; Q934-A946 PolarHBondContact N-O 3.17Å; Q934-A946 PolarHBondContact O-N 3.03Å; M936-A946 HydrophobicContact CE-CB 3.92Å; A946-L959 HydrophobicContact CB-CD1 3.91Å; A946-S960 CarbonylContact C-O 3.6Å; A946-S960 VanDerWaalsContact CA-O 3.31Å; A946-S960 WeakPolarHBondContact CA-O 3.39Å; A946-L961 HydrophobicContact CB-CD2 3.68Å; A946-F976 HydrophobicContact CB-CE1 4.49Å; A946-F976 HydrophobicContact CB-CZ 3.97Å |
| 947 | E | 95 | Very high | 88.5 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.3 | 164.2 | -176.2 | -173.8 | 79.2 | 0 | 0 | 107.7 | W886 M931 L932 Y933 L959 S960 | W886-E947 HydrophobicContact CH2-CB 3.81Å; W886-E947 HydrophobicContact CZ2-CB 4.32Å; M931-E947 HydrophobicContact CE-CG 3.63Å; M931-E947 VanDerWaalsContact CE-OE1 3.27Å; M931-E947 WeakPolarHBondContact CE-OE1 3.05Å; M931-E947 WeakPolarHBondContact CE-OE2 3.33Å; L932-E947 WeakPolarHBondContact O-CA 3.42Å; Y933-E947 HydrophobicContact CD1-CB 4.42Å; Y933-E947 HydrophobicContact CD1-CG 4.21Å; Y933-E947 HydrophobicContact CE1-CB 4.34Å; Y933-E947 HydrophobicContact CE1-CG 3.79Å; Y933-E947 WeakPolarHBondContact CE1-OE2 3.32Å; Y933-E947 VanDerWaalsContact CZ-OE2 3.29Å; Y933-E947 PolarHBondContact OH-OE2 3Å; E947-L959 WeakPolarHBondContact O-CA 3.3Å; E947-S960 PolarHBondContact N-O 3.24Å; E947-S960 PolarHBondContact O-N 3.02Å |
| 948 | L | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.7 | 177.5 | -176.5 | 68.3 | 0 | 0 | 0 | 109.4 | L899 C909 L913 L932 I950 F957 L959 L980 | L899-L948 HydrophobicContact CD1-CD1 4.1Å; C909-L948 HydrophobicContact CB-CD2 4.38Å; L913-L948 HydrophobicContact CD1-CD2 4.27Å; L932-L948 HydrophobicContact CB-CB 4.27Å; L932-L948 HydrophobicContact CD1-CD2 4.32Å; L932-L948 PolarHBondContact N-O 3.18Å; L932-L948 PolarHBondContact O-N 3.46Å; L948-I950 HydrophobicContact CD2-CD1 4.32Å; L948-I950 HydrophobicContact CG-CG1 4.29Å; L948-F957 HydrophobicContact CD1-CB 3.81Å; L948-F957 HydrophobicContact CD1-CD2 4.23Å; L948-F957 HydrophobicContact CD1-CG 4.48Å; L948-F957 HydrophobicContact CD2-CD2 4.3Å; L948-F957 HydrophobicContact CG-CD2 4.47Å; L948-L959 HydrophobicContact CD1-CB 4.17Å; L948-L959 HydrophobicContact CD1-CD1 4.32Å; L948-L980 HydrophobicContact CD2-CD1 4.16Å |
| 949 | K | 91.9 | Very high | 88.2 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.5 | -179 | 175.2 | 170.8 | -169.3 | 178.4 | 0 | 110.5 | M931 F957 I958 | M931-K949 HydrophobicContact CE-CB 4.06Å; M931-K949 HydrophobicContact CE-CD 4.28Å; M931-K949 HydrophobicContact CE-CG 4.35Å; M931-K949 HydrophobicContact SD-CB 3.59Å; M931-K949 VanDerWaalsContact SD-CB 3.59Å; M931-K949 HydrophobicContact SD-CD 3.81Å; M931-K949 HydrophobicContact SD-CG 3.47Å; M931-K949 WeakPolarHBondContact SD-CG 3.48Å; K949-F957 WeakPolarHBondContact O-CA 3.35Å; K949-I958 HydrophobicContact CB-CB 4.17Å; K949-I958 HydrophobicContact CD-CD1 4.39Å; K949-I958 PolarHBondContact N-O 3.3Å; K949-I958 PolarHBondContact O-N 2.88Å |
| 950 | I | 88.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.7 | -176.8 | -59 | 171.6 | 0 | 0 | 0 | 107.8 | A906 C909 Q929 D930 L932 L948 F957 | A906-I950 HydrophobicContact CB-CD1 3.88Å; C909-I950 HydrophobicContact CB-CD1 4.24Å; Q929-I950 CarbonylContact C-O 3.5Å; Q929-I950 WeakPolarHBondContact CA-O 3.47Å; D930-I950 HydrophobicContact CB-CB 4.22Å; D930-I950 PolarHBondContact N-O 2.93Å; D930-I950 PolarHBondContact O-N 2.94Å; L932-I950 HydrophobicContact CD1-CD1 3.85Å; L932-I950 HydrophobicContact CG-CD1 4.5Å; L948-I950 HydrophobicContact CD2-CD1 4.32Å; L948-I950 HydrophobicContact CG-CG1 4.29Å; I950-F957 HydrophobicContact CB-CD1 4.36Å; I950-F957 HydrophobicContact CB-CE1 4.33Å; I950-F957 HydrophobicContact CD1-CD2 4.39Å; I950-F957 HydrophobicContact CD1-CE2 4.12Å; I950-F957 HydrophobicContact CD1-CZ 4.37Å; I950-F957 HydrophobicContact CG1-CD1 4.09Å; I950-F957 HydrophobicContact CG1-CD2 3.92Å; I950-F957 HydrophobicContact CG1-CE1 4.18Å; I950-F957 HydrophobicContact CG1-CE2 4Å; I950-F957 HydrophobicContact CG1-CG 4Å; I950-F957 HydrophobicContact CG1-CZ 4.13Å; I950-F957 HydrophobicContact CG2-CD1 4.16Å; I950-F957 HydrophobicContact CG2-CE1 3.67Å; I950-F957 HydrophobicContact CG2-CZ 3.95Å |
| 951 | Q | 81.8 | Confident | 88.6 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 24% | 0.243 | 21% | 0.205 | C | C | . | . | trans | -98.1 | 135.3 | 176.9 | -62.9 | -177.1 | -10.1 | 0 | 0 | 110.1 | Q929 D953 N954 | Q929-Q951 HydrophobicContact CG-CG 3.96Å; Q929-Q951 VanDerWaalsContact NE2-NE2 3.2Å; Q951-D953 PolarHBondContact O-N 3.37Å; Q951-N954 HydrophobicContact CB-CB 3.92Å; Q951-N954 PolarHBondContact O-N 3Å; Q951-N954 PolarHBondContact OE1-ND2 3.35Å | ||
| 952 | P | 68.9 | Low | 88.7 | Confident | 77 Ų | 77 | 36.3 Ų | 36.3 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.8 | 162.7 | -16.2 | 28.7 | 0 | 0 | 0 | 108.8 | G928 N954 | G928-P952 WeakPolarHBondContact O-CD 3.41Å; G928-P952 WeakPolarHBondContact O-CG 3.41Å; P952-N954 VanDerWaalsContact C-N 3.26Å; P952-N954 PolarHBondContact O-N 3.32Å |
| 953 | D | 68.8 | Low | 88.8 | Confident | 173 Ų | 173 | 34.7 Ų | 34.7 | 93% | 0.925 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -11.4 | 178.1 | -48.1 | -40.2 | 0 | 0 | 0 | 117.7 | Q951 | Q951-D953 PolarHBondContact O-N 3.37Š|
| 954 | N | 70.2 | Confident | 88.6 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -97.3 | 122.4 | 173.1 | -163.7 | -21.3 | 0 | 0 | 0 | 110.6 | Q951 P952 S956 | Q951-N954 HydrophobicContact CB-CB 3.92Å; Q951-N954 PolarHBondContact O-N 3Å; Q951-N954 PolarHBondContact OE1-ND2 3.35Å; P952-N954 VanDerWaalsContact C-N 3.26Å; P952-N954 PolarHBondContact O-N 3.32Å; N954-S956 VanDerWaalsContact CG-OG 3.26Å; N954-S956 PolarHBondContact ND2-OG 3.26Å; N954-S956 PolarHBondContact O-N 3.44Å; N954-S956 PolarHBondContact OD1-N 2.92Å; N954-S956 PolarHBondContact OD1-OG 2.72Å | ||
| 955 | P | 71.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 41 Ų | 41 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -69.6 | -10.4 | 175.5 | 29 | -35.7 | 0 | 0 | 0 | 113.3 | ||
| 956 | S | 83.2 | Confident | 88 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -101.3 | 139.7 | 179.8 | 67 | 0 | 0 | 0 | 0 | 112.7 | L899 N954 | L899-S956 CarbonylContact O-C 3.54Å; L899-S956 WeakPolarHBondContact O-CA 3.45Å; N954-S956 VanDerWaalsContact CG-OG 3.26Å; N954-S956 PolarHBondContact ND2-OG 3.26Å; N954-S956 PolarHBondContact O-N 3.44Å; N954-S956 PolarHBondContact OD1-N 2.92Å; N954-S956 PolarHBondContact OD1-OG 2.72Å | ||
| 957 | F | 89.1 | Confident | 87.7 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146 | 172.9 | -60.1 | -8.3 | 0 | 0 | 0 | 109.6 | T898 L899 P901 L904 C909 L948 K949 I950 L980 | T898-F957 WeakPolarHBondContact CA-O 3.06Å; L899-F957 HydrophobicContact CB-CB 4.39Å; L899-F957 PolarHBondContact N-O 3.19Å; L899-F957 PolarHBondContact O-N 3.46Å; P901-F957 HydrophobicContact CB-CE2 4.23Å; P901-F957 HydrophobicContact CG-CD1 4.09Å; P901-F957 HydrophobicContact CG-CD2 3.31Å; P901-F957 HydrophobicContact CG-CE1 4.01Å; P901-F957 HydrophobicContact CG-CE2 3.22Å; P901-F957 HydrophobicContact CG-CG 3.74Å; P901-F957 HydrophobicContact CG-CZ 3.6Å; L904-F957 HydrophobicContact CB-CE2 4.4Å; L904-F957 HydrophobicContact CB-CZ 4.28Å; L904-F957 WeakPolarHBondContact O-CZ 3.06Å; C909-F957 WeakPolarHBondContact SG-CE2 3.39Å; L948-F957 HydrophobicContact CD1-CB 3.81Å; L948-F957 HydrophobicContact CD1-CD2 4.23Å; L948-F957 HydrophobicContact CD1-CG 4.48Å; L948-F957 HydrophobicContact CD2-CD2 4.3Å; L948-F957 HydrophobicContact CG-CD2 4.47Å; K949-F957 WeakPolarHBondContact O-CA 3.35Å; I950-F957 HydrophobicContact CB-CD1 4.36Å; I950-F957 HydrophobicContact CB-CE1 4.33Å; I950-F957 HydrophobicContact CD1-CD2 4.39Å; I950-F957 HydrophobicContact CD1-CE2 4.12Å; I950-F957 HydrophobicContact CD1-CZ 4.37Å; I950-F957 HydrophobicContact CG1-CD1 4.09Å; I950-F957 HydrophobicContact CG1-CD2 3.92Å; I950-F957 HydrophobicContact CG1-CE1 4.18Å; I950-F957 HydrophobicContact CG1-CE2 4Å; I950-F957 HydrophobicContact CG1-CG 4Å; I950-F957 HydrophobicContact CG1-CZ 4.13Å; I950-F957 HydrophobicContact CG2-CD1 4.16Å; I950-F957 HydrophobicContact CG2-CE1 3.67Å; I950-F957 HydrophobicContact CG2-CZ 3.95Å; F957-L980 HydrophobicContact CD2-CD1 4.35Å |
| 958 | I | 92 | Very high | 87.7 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 26% | 0.256 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 175 | -58.7 | 170.3 | 0 | 0 | 0 | 107.9 | K949 | K949-I958 HydrophobicContact CB-CB 4.17Å; K949-I958 HydrophobicContact CD-CD1 4.39Å; K949-I958 PolarHBondContact N-O 3.3Å; K949-I958 PolarHBondContact O-N 2.88Å |
| 959 | L | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.9 | 176.9 | 174.6 | 67 | 0 | 0 | 0 | 109.3 | Q896 F897 L899 A946 E947 L948 L961 F976 | Q896-L959 CarbonylContact C-O 3.32Å; Q896-L959 WeakPolarHBondContact CA-O 3.17Å; F897-L959 PolarHBondContact N-O 3.45Å; F897-L959 PolarHBondContact O-N 3.13Å; L899-L959 HydrophobicContact CD1-CB 3.96Å; L899-L959 HydrophobicContact CD1-CD2 4.1Å; L899-L959 HydrophobicContact CG-CB 4.17Å; A946-L959 HydrophobicContact CB-CD1 3.91Å; E947-L959 WeakPolarHBondContact O-CA 3.3Å; L948-L959 HydrophobicContact CD1-CB 4.17Å; L948-L959 HydrophobicContact CD1-CD1 4.32Å; L959-L961 HydrophobicContact CD1-CD2 3.83Å; L959-L961 HydrophobicContact CD1-CG 4.45Å; L959-L961 HydrophobicContact CD2-CD1 4.21Å; L959-L961 HydrophobicContact CD2-CD2 4.02Å; L959-L961 HydrophobicContact CD2-CG 4.09Å; L959-L961 HydrophobicContact CG-CD2 3.92Å; L959-L961 HydrophobicContact CG-CG 4.01Å; L959-F976 HydrophobicContact CD1-CD1 3.77Å; L959-F976 HydrophobicContact CD1-CE1 3.66Å; L959-F976 HydrophobicContact CD1-CG 4.4Å; L959-F976 HydrophobicContact CD1-CZ 4.21Å; L959-F976 HydrophobicContact CD2-CB 3.9Å; L959-F976 HydrophobicContact CD2-CD1 3.92Å; L959-F976 HydrophobicContact CD2-CD2 4.32Å; L959-F976 HydrophobicContact CD2-CG 3.79Å; L959-F976 HydrophobicContact CG-CD1 4.45Å |
| 960 | S | 96.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.1 | 171.1 | -49 | 0 | 0 | 0 | 0 | 109.6 | E894 Q895 Q896 A946 E947 | E894-S960 WeakPolarHBondContact OE1-CB 3.49Å; Q895-S960 WeakPolarHBondContact O-CA 3.05Å; Q896-S960 WeakPolarHBondContact CG-OG 3.34Å; A946-S960 CarbonylContact C-O 3.6Å; A946-S960 VanDerWaalsContact CA-O 3.31Å; A946-S960 WeakPolarHBondContact CA-O 3.39Å; E947-S960 PolarHBondContact N-O 3.24Å; E947-S960 PolarHBondContact O-N 3.02Å |
| 961 | L | 97.6 | Very high | 88 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.6 | 178.9 | -64 | -179.2 | 0 | 0 | 0 | 111 | E894 Q895 F897 V944 L945 A946 L959 H969 V972 | E894-L961 WeakPolarHBondContact CA-O 3.37Å; Q895-L961 PolarHBondContact N-O 3.05Å; Q895-L961 PolarHBondContact O-N 3.44Å; F897-L961 HydrophobicContact CD2-CD1 4.15Å; F897-L961 HydrophobicContact CD2-CG 4.37Å; F897-L961 HydrophobicContact CE2-CD1 3.88Å; F897-L961 HydrophobicContact CE2-CG 4.31Å; V944-L961 HydrophobicContact CG1-CD2 4.28Å; L945-L961 WeakPolarHBondContact O-CA 3.49Å; A946-L961 HydrophobicContact CB-CD2 3.68Å; L959-L961 HydrophobicContact CD1-CD2 3.83Å; L959-L961 HydrophobicContact CD1-CG 4.45Å; L959-L961 HydrophobicContact CD2-CD1 4.21Å; L959-L961 HydrophobicContact CD2-CD2 4.02Å; L959-L961 HydrophobicContact CD2-CG 4.09Å; L959-L961 HydrophobicContact CG-CD2 3.92Å; L959-L961 HydrophobicContact CG-CG 4.01Å; L961-H969 HydrophobicContact CD1-CB 4.13Å; L961-V972 HydrophobicContact CD1-CB 3.85Å; L961-V972 HydrophobicContact CD1-CG1 3.77Å; L961-V972 HydrophobicContact CD2-CG1 3.84Å; L961-V972 HydrophobicContact CG-CG1 4.5Å |
| 962 | K | 95.7 | Very high | 88.7 | Confident | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.8 | 169.5 | -78.4 | -166.7 | 178.1 | -172.5 | 0 | 111.1 | W886 I889 E894 L945 | W886-K962 HydrophobicContact CD2-CD 3.92Å; W886-K962 HydrophobicContact CE3-CB 4.39Å; W886-K962 HydrophobicContact CE3-CD 4.14Å; W886-K962 HydrophobicContact CG-CD 4.46Å; W886-K962 HydrophobicContact CH2-CB 4.48Å; W886-K962 HydrophobicContact CH2-CD 4.2Å; W886-K962 HydrophobicContact CH2-CG 4.11Å; W886-K962 HydrophobicContact CZ2-CD 3.98Å; W886-K962 HydrophobicContact CZ2-CG 4.31Å; W886-K962 HydrophobicContact CZ3-CB 4.14Å; W886-K962 HydrophobicContact CZ3-CD 4.28Å; W886-K962 HydrophobicContact CZ3-CG 4.23Å; W886-K962 PolarHBondContact O-NZ 3.13Å; I889-K962 HydrophobicContact CB-CD 4.35Å; I889-K962 HydrophobicContact CD1-CB 4.35Å; I889-K962 HydrophobicContact CG2-CB 4.2Å; I889-K962 HydrophobicContact CG2-CD 4.2Å; I889-K962 HydrophobicContact CG2-CG 4.43Å; E894-K962 HydrophobicContact CB-CD 4.44Å; E894-K962 HydrophobicContact CB-CG 3.88Å; E894-K962 HydrophobicContact CG-CG 3.88Å; E894-K962 WeakPolarHBondContact OE2-CE 3.31Å; E894-K962 IonicContact OE2-NZ 3.87Å; L945-K962 HydrophobicContact CB-CB 4.42Å; L945-K962 PolarHBondContact N-O 3.19Å; L945-K962 PolarHBondContact O-N 3.33Å |
| 963 | S | 95 | Very high | 90 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | trans | -148.8 | 158.3 | 167.3 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | N893 W943 T965 H969 | N893-S963 PolarHBondContact ND2-O 3.47Å; W943-S963 PolarHBondContact O-OG 2.8Å; S963-T965 PolarHBondContact O-N 2.88Å; S963-T965 PolarHBondContact OG-N 2.8Å; S963-H969 PolarHBondContact N-NE2 2.71Å | ||
| 964 | R | 92.2 | Very high | 91.1 | Very high | 168 Ų | 168 | 39.3 Ų | 39.3 | 63% | 0.634 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -64.8 | -23.5 | 165.5 | -63.8 | -170.3 | -169 | -87.4 | 0.4 | 111.5 | D888 I889 | D888-R964 IonicContact OD2-CZ 2.64Å; D888-R964 IonicContact OD2-NH1 3.81Å; D888-R964 PolarHBondContact OD2-NH1 3.29Å; D888-R964 IonicContact OD2-NH2 3.78Å; D888-R964 PolarHBondContact OD2-NH2 2.94Å; I889-R964 HydrophobicContact CG1-CG 4.37Å |
| 965 | T | 91.7 | Very high | 92.3 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 31% | 0.307 | 19% | 0.194 | S | C | . | . | trans | -114.8 | 94.2 | -179.8 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | I942 S963 D967 V968 | I942-T965 HydrophobicContact CD1-CG2 4.17Å; S963-T965 PolarHBondContact O-N 2.88Å; S963-T965 PolarHBondContact OG-N 2.8Å; T965-D967 VanDerWaalsContact C-N 3.26Å; T965-D967 HydrophobicContact CG2-CB 4.41Å; T965-D967 PolarHBondContact O-N 3.24Å; T965-V968 HydrophobicContact CG2-CG1 4.33Å; T965-V968 VanDerWaalsContact O-CG2 3.31Å; T965-V968 WeakPolarHBondContact O-CG2 2.78Å | ||
| 966 | M | 91.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -66.4 | -24.2 | -174.6 | -64.1 | 176.7 | 70.7 | 0 | 0 | 114 | N893 V968 H969 | N893-M966 HydrophobicContact CB-CG 4.22Å; N893-M966 HydrophobicContact CB-SD 4.17Å; M966-V968 PolarHBondContact O-N 3.38Å; M966-H969 WeakPolarHBondContact O-CB 3.43Å; M966-H969 VanDerWaalsContact O-CG 3.23Å; M966-H969 PolarHBondContact O-N 3.1Å |
| 967 | D | 91 | Very high | 93.7 | Very high | 83 Ų | 83 | 33.8 Ų | 33.8 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -56.8 | -21.3 | -179.1 | -66.9 | -24.4 | 0 | 0 | 0 | 114.1 | K841 L845 T965 | K841-D967 WeakPolarHBondContact CE-OD2 3.5Å; K841-D967 IonicContact NZ-OD1 2.85Å; K841-D967 IonicContact NZ-OD2 2.69Å; K841-D967 PolarHBondContact NZ-OD2 2.91Å; L845-D967 HydrophobicContact CD2-CB 4.41Å; T965-D967 VanDerWaalsContact C-N 3.26Å; T965-D967 HydrophobicContact CG2-CB 4.41Å; T965-D967 PolarHBondContact O-N 3.24Å |
| 968 | V | 94.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -82.7 | -16.2 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | L845 M867 L938 I942 V944 T965 M966 G971 V972 | L845-V968 HydrophobicContact CD2-CG1 4.14Å; M867-V968 HydrophobicContact SD-CB 4.32Å; L938-V968 HydrophobicContact CD1-CB 4.28Å; L938-V968 HydrophobicContact CD1-CG1 3.86Å; I942-V968 HydrophobicContact CD1-CG1 4.48Å; V944-V968 HydrophobicContact CG2-CG2 3.57Å; T965-V968 HydrophobicContact CG2-CG1 4.33Å; T965-V968 VanDerWaalsContact O-CG2 3.31Å; T965-V968 WeakPolarHBondContact O-CG2 2.78Å; M966-V968 PolarHBondContact O-N 3.38Å; V968-G971 PolarHBondContact O-N 3.41Å; V968-V972 HydrophobicContact CG2-CG2 4.4Å; V968-V972 WeakPolarHBondContact O-CG2 3.46Å; V968-V972 PolarHBondContact O-N 2.8Å |
| 969 | H | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.3 | -47.2 | -174.3 | -65.3 | 177.3 | 0 | 0 | 0 | 113.4 | N893 Q895 F897 L961 S963 M966 G971 V972 Q973 | N893-H969 PolarHBondContact O-CE1 3.4Å; N893-H969 VanDerWaalsContact O-CE1 3.28Å; Q895-H969 PolarHBondContact OE1-ND1 3.02Å; F897-H969 HydrophobicContact CE2-CB 4.09Å; F897-H969 HydrophobicContact CZ-CB 4.03Å; L961-H969 HydrophobicContact CD1-CB 4.13Å; S963-H969 PolarHBondContact N-NE2 2.71Å; M966-H969 WeakPolarHBondContact O-CB 3.43Å; M966-H969 VanDerWaalsContact O-CG 3.23Å; M966-H969 PolarHBondContact O-N 3.1Å; H969-G971 VanDerWaalsContact C-N 3.29Å; H969-G971 PolarHBondContact O-N 2.72Å; H969-V972 PolarHBondContact O-N 2.91Å; H969-Q973 WeakPolarHBondContact O-CB 3.45Å; H969-Q973 PolarHBondContact O-N 3.49Å |
| 970 | P | 93 | Very high | 93.5 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 45% | 0.448 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 179.8 | -22.9 | 35.1 | 0 | 0 | 0 | 112.6 | Q973 L974 | P970-Q973 PolarHBondContact O-N 3.32Å; P970-L974 WeakPolarHBondContact O-CG 3.2Å; P970-L974 PolarHBondContact O-N 3.26Å; P970-L974 VanDerWaalsContact O-N 3.09Å |
| 971 | G | 93.4 | Very high | 93 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.5 | -37.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M867 V968 H969 A975 | M867-G971 WeakPolarHBondContact CB-O 3.48Å; M867-G971 VanDerWaalsContact SD-C 3.55Å; V968-G971 PolarHBondContact O-N 3.41Å; H969-G971 VanDerWaalsContact C-N 3.29Å; H969-G971 PolarHBondContact O-N 2.72Å; G971-A975 WeakPolarHBondContact O-CB 3.31Å; G971-A975 PolarHBondContact O-N 3.42Å |
| 972 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | 175 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | M867 F871 M936 V944 L961 V968 H969 A975 F976 | M867-V972 HydrophobicContact SD-CG2 3.82Å; F871-V972 HydrophobicContact CE1-CG2 4.33Å; F871-V972 HydrophobicContact CZ-CG2 4.3Å; M936-V972 HydrophobicContact CE-CG1 4.4Å; M936-V972 HydrophobicContact SD-CG1 3.74Å; V944-V972 HydrophobicContact CG1-CG1 4.35Å; V944-V972 HydrophobicContact CG1-CG2 4.32Å; V944-V972 HydrophobicContact CG2-CG2 4.31Å; L961-V972 HydrophobicContact CD1-CB 3.85Å; L961-V972 HydrophobicContact CD1-CG1 3.77Å; L961-V972 HydrophobicContact CD2-CG1 3.84Å; L961-V972 HydrophobicContact CG-CG1 4.5Å; V968-V972 HydrophobicContact CG2-CG2 4.4Å; V968-V972 WeakPolarHBondContact O-CG2 3.46Å; V968-V972 PolarHBondContact O-N 2.8Å; H969-V972 PolarHBondContact O-N 2.91Å; V972-A975 WeakPolarHBondContact O-CB 3.47Å; V972-A975 PolarHBondContact O-N 3.32Å; V972-F976 HydrophobicContact CG1-CD2 3.92Å; V972-F976 HydrophobicContact CG1-CE2 3.89Å; V972-F976 WeakPolarHBondContact O-CD2 3.35Å; V972-F976 PolarHBondContact O-N 3.21Å |
| 973 | Q | 95.2 | Very high | 91.6 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 174.9 | 177 | -82.7 | -48.7 | 0 | 0 | 111.3 | F897 L899 H969 P970 A975 F976 D977 | F897-Q973 HydrophobicContact CB-CG 3.72Å; F897-Q973 HydrophobicContact CD1-CB 4.26Å; F897-Q973 HydrophobicContact CD1-CG 3.75Å; F897-Q973 HydrophobicContact CD2-CB 4.17Å; F897-Q973 HydrophobicContact CD2-CG 4.18Å; F897-Q973 HydrophobicContact CE1-CB 4.47Å; F897-Q973 HydrophobicContact CE1-CG 4.37Å; F897-Q973 HydrophobicContact CE2-CB 4.4Å; F897-Q973 HydrophobicContact CG-CB 4.09Å; F897-Q973 HydrophobicContact CG-CG 3.61Å; L899-Q973 HydrophobicContact CD2-CG 4.18Å; H969-Q973 WeakPolarHBondContact O-CB 3.45Å; H969-Q973 PolarHBondContact O-N 3.49Å; P970-Q973 PolarHBondContact O-N 3.32Å; Q973-A975 VanDerWaalsContact C-N 3.32Å; Q973-A975 PolarHBondContact O-N 3.4Å; Q973-F976 PolarHBondContact O-N 3.3Å; Q973-D977 PolarHBondContact O-N 3.05Å |
| 974 | L | 92.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.1 | -72.2 | 172.2 | 0 | 0 | 0 | 111.8 | P970 F976 D977 E978 | P970-L974 WeakPolarHBondContact O-CG 3.2Å; P970-L974 PolarHBondContact O-N 3.26Å; P970-L974 VanDerWaalsContact O-N 3.09Å; L974-F976 PolarHBondContact O-N 2.91Å; L974-D977 PolarHBondContact O-N 3.16Å; L974-E978 WeakPolarHBondContact O-CB 3.23Å; L974-E978 WeakPolarHBondContact O-CG 3.13Å; L974-E978 PolarHBondContact O-N 2.62Å |
| 975 | A | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H868 F871 G971 V972 Q973 I979 | H868-A975 HydrophobicContact CB-CB 4.02Å; F871-A975 HydrophobicContact CE2-CB 4.09Å; F871-A975 HydrophobicContact CZ-CB 3.91Å; G971-A975 WeakPolarHBondContact O-CB 3.31Å; G971-A975 PolarHBondContact O-N 3.42Å; V972-A975 WeakPolarHBondContact O-CB 3.47Å; V972-A975 PolarHBondContact O-N 3.32Å; Q973-A975 VanDerWaalsContact C-N 3.32Å; Q973-A975 PolarHBondContact O-N 3.4Å; A975-I979 WeakPolarHBondContact O-CB 3.35Å; A975-I979 VanDerWaalsContact O-CD1 3.3Å; A975-I979 WeakPolarHBondContact O-CD1 3.46Å; A975-I979 WeakPolarHBondContact O-CG1 3.18Å; A975-I979 PolarHBondContact O-N 3.44Å |
| 976 | F | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 176 | -92.6 | -115.5 | 0 | 0 | 0 | 111.9 | L899 L913 V918 Q934 M936 A946 L959 V972 Q973 L974 L980 | L899-F976 HydrophobicContact CD1-CB 3.84Å; L899-F976 HydrophobicContact CD1-CD1 4.3Å; L913-F976 HydrophobicContact CD1-CD1 4.24Å; L913-F976 HydrophobicContact CD1-CE1 3.8Å; L913-F976 HydrophobicContact CD1-CZ 4.41Å; L913-F976 HydrophobicContact CD2-CD1 4.04Å; L913-F976 HydrophobicContact CD2-CD2 4.41Å; L913-F976 HydrophobicContact CD2-CE1 3.98Å; L913-F976 HydrophobicContact CD2-CE2 4.36Å; L913-F976 HydrophobicContact CD2-CG 4.27Å; L913-F976 HydrophobicContact CD2-CZ 4.16Å; V918-F976 HydrophobicContact CG1-CE2 4.22Å; V918-F976 HydrophobicContact CG1-CZ 3.77Å; V918-F976 HydrophobicContact CG2-CE2 4.28Å; Q934-F976 VanDerWaalsContact OE1-CE1 3.23Å; M936-F976 HydrophobicContact CE-CE2 3.64Å; M936-F976 HydrophobicContact CE-CZ 3.79Å; M936-F976 HydrophobicContact SD-CE2 3.95Å; A946-F976 HydrophobicContact CB-CE1 4.49Å; A946-F976 HydrophobicContact CB-CZ 3.97Å; L959-F976 HydrophobicContact CD1-CD1 3.77Å; L959-F976 HydrophobicContact CD1-CE1 3.66Å; L959-F976 HydrophobicContact CD1-CG 4.4Å; L959-F976 HydrophobicContact CD1-CZ 4.21Å; L959-F976 HydrophobicContact CD2-CB 3.9Å; L959-F976 HydrophobicContact CD2-CD1 3.92Å; L959-F976 HydrophobicContact CD2-CD2 4.32Å; L959-F976 HydrophobicContact CD2-CG 3.79Å; L959-F976 HydrophobicContact CG-CD1 4.45Å; V972-F976 HydrophobicContact CG1-CD2 3.92Å; V972-F976 HydrophobicContact CG1-CE2 3.89Å; V972-F976 WeakPolarHBondContact O-CD2 3.35Å; V972-F976 PolarHBondContact O-N 3.21Å; Q973-F976 PolarHBondContact O-N 3.3Å; L974-F976 PolarHBondContact O-N 2.91Å; F976-L980 HydrophobicContact CD1-CD1 4.44Å; F976-L980 VanDerWaalsContact O-CB 3.29Å; F976-L980 WeakPolarHBondContact O-CB 3.13Å; F976-L980 VanDerWaalsContact O-CG 3.22Å; F976-L980 WeakPolarHBondContact O-CG 3.48Å; F976-L980 PolarHBondContact O-N 3.17Å |
| 977 | D | 91.2 | Very high | 91.4 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 179.4 | -164.8 | 50.5 | 0 | 0 | 0 | 111.5 | L899 Q973 L974 N981 | L899-D977 HydrophobicContact CD2-CB 4.01Å; Q973-D977 PolarHBondContact O-N 3.05Å; L974-D977 PolarHBondContact O-N 3.16Å; D977-N981 VanDerWaalsContact O-CB 3.24Å; D977-N981 WeakPolarHBondContact O-CB 3.27Å; D977-N981 PolarHBondContact O-N 2.8Å; D977-N981 PolarHBondContact O-ND2 3Å; D977-N981 PolarHBondContact OD1-ND2 3.4Å |
| 978 | E | 90.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 178.7 | -71.2 | -178.6 | 175.7 | 0 | 0 | 112.5 | F752 L974 N981 H982 | F752-E978 HydrophobicContact CD1-CB 4.49Å; F752-E978 HydrophobicContact CE1-CB 3.67Å; F752-E978 HydrophobicContact CZ-CB 4.16Å; L974-E978 WeakPolarHBondContact O-CB 3.23Å; L974-E978 WeakPolarHBondContact O-CG 3.13Å; L974-E978 PolarHBondContact O-N 2.62Å; E978-N981 PolarHBondContact O-N 2.99Å; E978-H982 PolarHBondContact O-N 3.18Å |
| 979 | I | 91.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | -178.8 | -68.2 | 163.3 | 0 | 0 | 0 | 111.8 | F752 H868 K912 L913 N916 A975 | F752-I979 HydrophobicContact CB-CG1 4.21Å; F752-I979 HydrophobicContact CD1-CG1 4.01Å; F752-I979 HydrophobicContact CG-CG1 4.37Å; H868-I979 HydrophobicContact CB-CD1 3.81Å; K912-I979 HydrophobicContact CB-CG2 4.19Å; L913-I979 HydrophobicContact CD2-CG2 4.06Å; N916-I979 HydrophobicContact CB-CD1 3.6Å; N916-I979 HydrophobicContact CB-CG1 4.36Å; A975-I979 WeakPolarHBondContact O-CB 3.35Å; A975-I979 VanDerWaalsContact O-CD1 3.3Å; A975-I979 WeakPolarHBondContact O-CD1 3.46Å; A975-I979 WeakPolarHBondContact O-CG1 3.18Å; A975-I979 PolarHBondContact O-N 3.44Å |
| 980 | L | 90.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -79.3 | -30.2 | -178.6 | -65.9 | 177.9 | 0 | 0 | 0 | 111.6 | L899 P901 L904 C909 K912 L913 L948 F957 F976 | L899-L980 HydrophobicContact CD1-CD1 4.08Å; P901-L980 HydrophobicContact CB-CB 3.93Å; L904-L980 HydrophobicContact CD1-CB 4.1Å; L904-L980 HydrophobicContact CD1-CD2 3.96Å; L904-L980 VanDerWaalsContact CD1-O 3.24Å; L904-L980 WeakPolarHBondContact CD1-O 3.26Å; C909-L980 HydrophobicContact CB-CD2 4.05Å; K912-L980 PolarHBondContact NZ-O 2.81Å; L913-L980 HydrophobicContact CD1-CD2 4.11Å; L913-L980 HydrophobicContact CD2-CD2 4.44Å; L913-L980 HydrophobicContact CG-CD2 4.02Å; L948-L980 HydrophobicContact CD2-CD1 4.16Å; F957-L980 HydrophobicContact CD2-CD1 4.35Å; F976-L980 HydrophobicContact CD1-CD1 4.44Å; F976-L980 VanDerWaalsContact O-CB 3.29Å; F976-L980 WeakPolarHBondContact O-CB 3.13Å; F976-L980 VanDerWaalsContact O-CG 3.22Å; F976-L980 WeakPolarHBondContact O-CG 3.48Å; F976-L980 PolarHBondContact O-N 3.17Å |
| 981 | N | 84.5 | Confident | 90.7 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.8 | -18.7 | 178.1 | -81.4 | -49.4 | 0 | 0 | 0 | 115.2 | S900 P901 D977 E978 | S900-N981 PolarHBondContact O-OD1 3.32Å; P901-N981 WeakPolarHBondContact CA-OD1 3.33Å; D977-N981 VanDerWaalsContact O-CB 3.24Å; D977-N981 WeakPolarHBondContact O-CB 3.27Å; D977-N981 PolarHBondContact O-N 2.8Å; D977-N981 PolarHBondContact O-ND2 3Å; D977-N981 PolarHBondContact OD1-ND2 3.4Å; E978-N981 PolarHBondContact O-N 2.99Å |
| 982 | H | 73.7 | Confident | 90.5 | Very high | 142 Ų | 142 | 39.2 Ų | 39.2 | 66% | 0.657 | 19% | 0.193 | S | C | * | . | trans | -116.3 | 0 | 178.6 | -75.7 | -75.3 | 0 | 0 | 0 | 111.1 | F752 K912 E978 | F752-H982 HydrophobicContact CD2-CB 3.72Å; F752-H982 HydrophobicContact CE2-CB 3.31Å; F752-H982 AromaticContact CE2-CD2 3.75Å; F752-H982 AromaticContact CE2-CG 3.56Å; F752-H982 HydrophobicContact CZ-CB 4.16Å; F752-H982 AromaticContact CZ-CD2 3.82Å; K912-H982 PolarHBondContact NZ-O 3.24Å; K912-H982 PolarHBondContact NZ-OXT 2.96Å; E978-H982 PolarHBondContact O-N 3.18Å |
Retrieved 982 of 982 residues in 881.3 ms
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