| 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 | 49.8 | Very low | 71.5 | Confident | 201 Ų | 201 | 100.7 Ų | 100.7 | 99% | 0.99 | 53% | 0.531 | S | S | * | . | 0 | 140.6 | 0 | -79 | -110.3 | -126.2 | 0 | 0 | 108.9 | R6 | M1-R6 PolarHBondContact SD-NH1 2.86Š| |||
| 2 | S | 51.2 | Low | 72.6 | Confident | 92 Ų | 92 | 101.2 Ų | 101.2 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | trans | -69.9 | 133.3 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | K4 | S2-K4 PolarHBondContact O-N 3.43Š| ||
| 3 | L | 62.9 | Low | 73.4 | Confident | 131 Ų | 131 | 94.7 Ų | 94.7 | 69% | 0.686 | 50% | 0.496 | S | S | * | . | trans | -75.8 | 29 | -178.7 | -71.7 | 161.5 | 0 | 0 | 0 | 113.8 | Y43 | L3-Y43 HydrophobicContact CD2-CD1 4.25Å; L3-Y43 HydrophobicContact CD2-CE1 3.63Å | ||
| 4 | K | 68.3 | Low | 74.4 | Confident | 159 Ų | 159 | 89.3 Ų | 89.3 | 69% | 0.691 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -88.4 | 143.4 | -179.4 | -69.7 | -175.4 | 178.5 | -176.4 | 0 | 110.6 | S2 R6 | S2-K4 PolarHBondContact O-N 3.43Å; K4-R6 PolarHBondContact O-N 3.24Å |
| 5 | P | 71.2 | Confident | 75.2 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | trans | -50.9 | 133.2 | 170 | -23.9 | 32.2 | 0 | 0 | 0 | 110.6 | V47 | P5-V47 HydrophobicContact CB-CG1 4.27Å; P5-V47 HydrophobicContact CG-CG1 3.95Å | ||
| 6 | R | 76.8 | Confident | 75.9 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 38% | 0.381 | 46% | 0.464 | S | S | . | . | trans | -140.7 | 157.2 | -177.5 | 61.7 | -179.2 | 178.1 | -179.1 | -0.1 | 110.2 | M1 K4 V8 Y49 | M1-R6 PolarHBondContact SD-NH1 2.86Å; K4-R6 PolarHBondContact O-N 3.24Å; R6-V8 HydrophobicContact CG-CG2 3.81Å; R6-V8 PolarHBondContact O-N 3.31Å; R6-Y49 PolarHBondContact O-N 2.83Å; R6-Y49 VanDerWaalsContact O-N 3.14Å | ||
| 7 | V | 77.3 | Confident | 76.5 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 71% | 0.709 | 44% | 0.437 | S | S | * | . | trans | -70.1 | 124.6 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 8 | V | 79.4 | Confident | 77.2 | Confident | 24 Ų | 24 | 82.5 Ų | 82.5 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | trans | -121.1 | 133.2 | -179.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | R6 F10 T13 A44 L45 A48 | R6-V8 HydrophobicContact CG-CG2 3.81Å; R6-V8 PolarHBondContact O-N 3.31Å; V8-F10 PolarHBondContact O-N 3.06Å; V8-T13 HydrophobicContact CG1-CG2 3.66Å; V8-A44 HydrophobicContact CG2-CB 4.17Å; V8-L45 HydrophobicContact CG1-CD2 4.22Å; V8-A48 HydrophobicContact CG2-CB 4.49Å | ||
| 9 | D | 83.1 | Confident | 77.7 | Confident | 94 Ų | 94 | 83.4 Ų | 83.4 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -73.1 | 113.4 | 168.1 | -171 | -28.5 | 0 | 0 | 0 | 109 | D11 E12 T13 | D9-D11 PolarHBondContact OD1-N 2.89Å; D9-E12 HydrophobicContact CB-CB 4.16Å; D9-E12 PolarHBondContact OD1-N 3.19Å; D9-T13 PolarHBondContact O-N 3.11Å; D9-T13 PolarHBondContact O-OG1 3.4Å | ||
| 10 | F | 83.3 | Confident | 78.1 | Confident | 13 Ų | 13 | 80 Ų | 80 | 6% | 0.057 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | -179.5 | -178.6 | -90.2 | 0 | 0 | 0 | 111.4 | V8 T13 W14 L45 L53 K56 L57 E60 | V8-F10 PolarHBondContact O-N 3.06Å; F10-T13 PolarHBondContact O-N 3.29Å; F10-T13 PolarHBondContact O-OG1 2.9Å; F10-W14 HydrophobicContact CD1-CB 4.17Å; F10-W14 HydrophobicContact CE1-CB 3.92Å; F10-W14 AromaticContact CE1-CG 3.99Å; F10-W14 HydrophobicContact CE1-CG 3.99Å; F10-W14 HydrophobicContact CZ-CB 4.3Å; F10-W14 HydrophobicContact CZ-CD2 4.48Å; F10-W14 HydrophobicContact CZ-CG 4.3Å; F10-W14 WeakPolarHBondContact O-CA 3.42Å; F10-W14 WeakPolarHBondContact O-CB 3.36Å; F10-W14 PolarHBondContact O-N 2.97Å; F10-L45 HydrophobicContact CD2-CD2 3.78Å; F10-L45 HydrophobicContact CE2-CD2 4.42Å; F10-L53 HydrophobicContact CB-CD1 4.32Å; F10-L53 HydrophobicContact CD2-CB 4.12Å; F10-L53 HydrophobicContact CD2-CD1 4.28Å; F10-L53 HydrophobicContact CD2-CD2 4.45Å; F10-K56 HydrophobicContact CD1-CD 3.88Å; F10-K56 HydrophobicContact CD2-CD 4.03Å; F10-K56 HydrophobicContact CD2-CG 4.5Å; F10-K56 HydrophobicContact CE1-CD 3.8Å; F10-K56 HydrophobicContact CE1-CG 4.01Å; F10-K56 HydrophobicContact CE2-CB 4.01Å; F10-K56 HydrophobicContact CE2-CD 3.96Å; F10-K56 HydrophobicContact CE2-CG 3.93Å; F10-K56 HydrophobicContact CG-CD 4Å; F10-K56 HydrophobicContact CZ-CB 4.18Å; F10-K56 HydrophobicContact CZ-CD 3.84Å; F10-K56 HydrophobicContact CZ-CG 3.66Å; F10-L57 HydrophobicContact CE2-CB 4.27Å; F10-E60 HydrophobicContact CE1-CG 4.16Å; F10-E60 HydrophobicContact CZ-CG 4.03Å |
| 11 | D | 83.2 | Confident | 78.5 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.5 | -37.5 | -170.6 | -63.1 | -31.4 | 0 | 0 | 0 | 110.6 | D9 N15 | D9-D11 PolarHBondContact OD1-N 2.89Å; D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 3.24Å; D11-N15 PolarHBondContact O-ND2 3.26Å |
| 12 | E | 84.6 | Confident | 80.3 | Confident | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 176.2 | -164.3 | -163.7 | 154.8 | 0 | 0 | 112 | D9 K16 | D9-E12 HydrophobicContact CB-CB 4.16Å; D9-E12 PolarHBondContact OD1-N 3.19Å; E12-K16 WeakPolarHBondContact O-CG 3.45Å; E12-K16 PolarHBondContact O-N 3.01Å; E12-K16 IonicContact OE1-NZ 2.63Å; E12-K16 PolarHBondContact OE1-NZ 2.78Å |
| 13 | T | 83.6 | Confident | 81.9 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.104 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.3 | -36.9 | -178.9 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | V8 D9 F10 K16 L17 L45 | V8-T13 HydrophobicContact CG1-CG2 3.66Å; D9-T13 PolarHBondContact O-N 3.11Å; D9-T13 PolarHBondContact O-OG1 3.4Å; F10-T13 PolarHBondContact O-N 3.29Å; F10-T13 PolarHBondContact O-OG1 2.9Å; T13-K16 PolarHBondContact O-N 3.33Å; T13-L17 VanDerWaalsContact O-CB 3.3Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 PolarHBondContact O-N 2.82Å; T13-L45 WeakPolarHBondContact OG1-CD2 3.43Å |
| 14 | W | 87.1 | Confident | 83 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.5 | 177.6 | -119.9 | 0 | 0 | 0 | 111.9 | F10 K16 L17 L18 I21 L57 E60 | F10-W14 HydrophobicContact CD1-CB 4.17Å; F10-W14 HydrophobicContact CE1-CB 3.92Å; F10-W14 AromaticContact CE1-CG 3.99Å; F10-W14 HydrophobicContact CE1-CG 3.99Å; F10-W14 HydrophobicContact CZ-CB 4.3Å; F10-W14 HydrophobicContact CZ-CD2 4.48Å; F10-W14 HydrophobicContact CZ-CG 4.3Å; F10-W14 WeakPolarHBondContact O-CA 3.42Å; F10-W14 WeakPolarHBondContact O-CB 3.36Å; F10-W14 PolarHBondContact O-N 2.97Å; W14-K16 VanDerWaalsContact C-N 3.32Å; W14-K16 PolarHBondContact O-N 2.84Å; W14-L17 HydrophobicContact CE3-CD2 4.04Å; W14-L17 HydrophobicContact CZ3-CD2 4.07Å; W14-L17 CarbonylContact O-C 3.56Å; W14-L17 PolarHBondContact O-N 3.09Å; W14-L17 VanDerWaalsContact O-N 3.15Å; W14-L18 HydrophobicContact CH2-CD1 4.46Å; W14-L18 HydrophobicContact CZ2-CD1 3.91Å; W14-L18 WeakPolarHBondContact O-CB 3.3Å; W14-L18 PolarHBondContact O-N 3.11Å; W14-I21 HydrophobicContact CH2-CD1 4.04Å; W14-I21 HydrophobicContact CZ3-CD1 3.93Å; W14-L57 HydrophobicContact CE3-CD1 3.55Å; W14-L57 HydrophobicContact CZ3-CD1 3.45Å; W14-L57 VanDerWaalsContact CZ3-CD1 3.45Å; W14-E60 HydrophobicContact CD2-CB 4.34Å; W14-E60 HydrophobicContact CH2-CB 3.85Å; W14-E60 HydrophobicContact CZ2-CB 3.43Å; W14-E60 VanDerWaalsContact CZ2-CB 3.43Å; W14-E60 HydrophobicContact CZ3-CB 4.43Å |
| 15 | N | 86.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 179.2 | -79.4 | -44.2 | 0 | 0 | 0 | 112.7 | D11 T19 | D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 3.24Å; D11-N15 PolarHBondContact O-ND2 3.26Å; N15-T19 PolarHBondContact O-N 2.85Å; N15-T19 PolarHBondContact O-OG1 2.88Å |
| 16 | K | 86.3 | Confident | 84 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 174.6 | -63.6 | 173 | -170.9 | 167.7 | 0 | 111.2 | E12 T13 W14 T19 T20 | E12-K16 WeakPolarHBondContact O-CG 3.45Å; E12-K16 PolarHBondContact O-N 3.01Å; E12-K16 IonicContact OE1-NZ 2.63Å; E12-K16 PolarHBondContact OE1-NZ 2.78Å; T13-K16 PolarHBondContact O-N 3.33Å; W14-K16 VanDerWaalsContact C-N 3.32Å; W14-K16 PolarHBondContact O-N 2.84Å; K16-T19 PolarHBondContact O-N 3.5Å; K16-T20 PolarHBondContact O-N 3.45Å; K16-T20 PolarHBondContact O-OG1 3.14Å |
| 17 | L | 87.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.5 | -171.7 | 68 | 0 | 0 | 0 | 112 | T13 W14 T19 T20 I21 R38 I42 L57 L104 | T13-L17 VanDerWaalsContact O-CB 3.3Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 PolarHBondContact O-N 2.82Å; W14-L17 HydrophobicContact CE3-CD2 4.04Å; W14-L17 HydrophobicContact CZ3-CD2 4.07Å; W14-L17 CarbonylContact O-C 3.56Å; W14-L17 PolarHBondContact O-N 3.09Å; W14-L17 VanDerWaalsContact O-N 3.15Å; L17-T19 VanDerWaalsContact C-N 3.29Å; L17-T19 PolarHBondContact O-N 3.01Å; L17-T20 CarbonylContact O-C 3.6Å; L17-T20 PolarHBondContact O-N 3.39Å; L17-I21 HydrophobicContact CD2-CD1 4.36Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 HydrophobicContact CG-CG1 4.3Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.29Å; L17-I21 PolarHBondContact O-N 3.15Å; L17-R38 HydrophobicContact CD1-CB 3.89Å; L17-R38 HydrophobicContact CD1-CG 4.02Å; L17-I42 HydrophobicContact CD1-CD1 4.11Å; L17-I42 HydrophobicContact CD1-CG1 4.03Å; L17-I42 HydrophobicContact CD2-CG1 4.01Å; L17-L57 HydrophobicContact CD2-CD1 3.75Å; L17-L104 HydrophobicContact CD1-CD2 4.31Å |
| 18 | L | 87.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 178.1 | -179 | 64.7 | 0 | 0 | 0 | 111.9 | W14 T20 I21 K22 F64 | W14-L18 HydrophobicContact CH2-CD1 4.46Å; W14-L18 HydrophobicContact CZ2-CD1 3.91Å; W14-L18 WeakPolarHBondContact O-CB 3.3Å; W14-L18 PolarHBondContact O-N 3.11Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.39Å; L18-I21 PolarHBondContact O-N 3.45Å; L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 3.27Å; L18-K22 PolarHBondContact O-N 3.27Å; L18-F64 HydrophobicContact CD1-CB 4.28Å; L18-F64 HydrophobicContact CD1-CD2 3.41Å; L18-F64 VanDerWaalsContact CD1-CD2 3.41Å; L18-F64 HydrophobicContact CD1-CE2 3.9Å; L18-F64 HydrophobicContact CD1-CG 3.88Å |
| 19 | T | 86.9 | Confident | 84.9 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | N15 K16 L17 A23 | N15-T19 PolarHBondContact O-N 2.85Å; N15-T19 PolarHBondContact O-OG1 2.88Å; K16-T19 PolarHBondContact O-N 3.5Å; L17-T19 VanDerWaalsContact C-N 3.29Å; L17-T19 PolarHBondContact O-N 3.01Å; T19-A23 PolarHBondContact O-N 2.75Å; T19-A23 VanDerWaalsContact O-N 3.11Å |
| 20 | T | 86.5 | Confident | 85 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | 176.3 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | K16 L17 L18 K22 A23 V24 V30 W35 R38 | K16-T20 PolarHBondContact O-N 3.45Å; K16-T20 PolarHBondContact O-OG1 3.14Å; L17-T20 CarbonylContact O-C 3.6Å; L17-T20 PolarHBondContact O-N 3.39Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.39Å; T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 3.09Å; T20-A23 PolarHBondContact O-N 3.39Å; T20-V24 HydrophobicContact CG2-CG2 4.11Å; T20-V24 WeakPolarHBondContact O-CB 3.19Å; T20-V24 WeakPolarHBondContact O-CG2 3.46Å; T20-V24 PolarHBondContact O-N 3.45Å; T20-V30 HydrophobicContact CG2-CG1 3.81Å; T20-V30 HydrophobicContact CG2-CG2 4.35Å; T20-W35 HydrophobicContact CG2-CE3 4.33Å; T20-R38 HydrophobicContact CG2-CG 3.7Å; T20-R38 WeakPolarHBondContact OG1-CD 3.48Å |
| 21 | I | 86.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 175.7 | -64.7 | 166 | 0 | 0 | 0 | 110 | W14 L17 L18 A23 V24 V25 F64 M101 Y105 | W14-I21 HydrophobicContact CH2-CD1 4.04Å; W14-I21 HydrophobicContact CZ3-CD1 3.93Å; L17-I21 HydrophobicContact CD2-CD1 4.36Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 HydrophobicContact CG-CG1 4.3Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.29Å; L17-I21 PolarHBondContact O-N 3.15Å; L18-I21 PolarHBondContact O-N 3.45Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 3.28Å; I21-V24 PolarHBondContact O-N 3.25Å; I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CG2 3.39Å; I21-V25 PolarHBondContact O-N 3Å; I21-F64 HydrophobicContact CG2-CD1 3.76Å; I21-F64 HydrophobicContact CG2-CE1 3.45Å; I21-F64 VanDerWaalsContact CG2-CE1 3.45Å; I21-F64 HydrophobicContact CG2-CZ 4.16Å; I21-M101 HydrophobicContact CG2-CE 3.63Å; I21-M101 HydrophobicContact CG2-CG 4.42Å; I21-M101 HydrophobicContact CG2-SD 3.84Å; I21-Y105 HydrophobicContact CD1-CE2 4.14Å; I21-Y105 WeakPolarHBondContact CD1-OH 3.46Å; I21-Y105 HydrophobicContact CG1-CE2 4.37Å |
| 22 | K | 86.3 | Confident | 85.3 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.7 | -177.8 | 173.8 | -179.9 | -177.5 | 0 | 112.3 | L18 T20 M26 F64 | L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 3.27Å; L18-K22 PolarHBondContact O-N 3.27Å; T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 3.09Å; K22-M26 HydrophobicContact CG-CE 3.84Å; K22-M26 PolarHBondContact O-N 2.94Å; K22-F64 HydrophobicContact CB-CE2 4.2Å; K22-F64 HydrophobicContact CB-CZ 4.04Å; K22-F64 HydrophobicContact CG-CZ 4.46Å |
| 23 | A | 85.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T19 T20 I21 M26 L27 D28 V30 | T19-A23 PolarHBondContact O-N 2.75Å; T19-A23 VanDerWaalsContact O-N 3.11Å; T20-A23 PolarHBondContact O-N 3.39Å; I21-A23 VanDerWaalsContact C-N 3.34Å; I21-A23 PolarHBondContact O-N 3.28Å; A23-M26 CarbonylContact O-C 3.54Å; A23-M26 PolarHBondContact O-N 3.35Å; A23-L27 PolarHBondContact O-N 2.86Å; A23-L27 VanDerWaalsContact O-N 3.13Å; A23-D28 HydrophobicContact CB-CB 4.03Å; A23-D28 WeakPolarHBondContact O-CB 3.45Å; A23-D28 PolarHBondContact O-N 3.14Å; A23-V30 HydrophobicContact CB-CG2 3.66Å |
| 24 | V | 85.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | -177.2 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | T20 I21 M26 L27 V30 W35 G97 Y100 M101 | T20-V24 HydrophobicContact CG2-CG2 4.11Å; T20-V24 WeakPolarHBondContact O-CB 3.19Å; T20-V24 WeakPolarHBondContact O-CG2 3.46Å; T20-V24 PolarHBondContact O-N 3.45Å; I21-V24 PolarHBondContact O-N 3.25Å; V24-M26 VanDerWaalsContact C-N 3.27Å; V24-M26 PolarHBondContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 3.23Å; V24-L27 VanDerWaalsContact O-N 3.14Å; V24-V30 HydrophobicContact CG2-CG2 4.1Å; V24-W35 HydrophobicContact CG1-CZ3 4.39Å; V24-W35 HydrophobicContact CG2-CE3 4.23Å; V24-W35 HydrophobicContact CG2-CH2 4.43Å; V24-W35 HydrophobicContact CG2-CZ3 3.52Å; V24-G97 WeakPolarHBondContact O-CA 3.45Å; V24-Y100 HydrophobicContact CG1-CD2 4.46Å; V24-Y100 HydrophobicContact CG1-CG 4.46Å; V24-M101 HydrophobicContact CG1-CG 4.25Å |
| 25 | V | 81.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -30.5 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 112 | I21 L27 F64 H68 Y94 M101 | I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CG2 3.39Å; I21-V25 PolarHBondContact O-N 3Å; V25-L27 VanDerWaalsContact C-N 3.34Å; V25-F64 HydrophobicContact CG2-CE1 4.15Å; V25-H68 VanDerWaalsContact CG1-CD2 3.43Å; V25-H68 WeakPolarHBondContact CG1-CD2 3.29Å; V25-H68 VanDerWaalsContact CG1-NE2 3.3Å; V25-H68 WeakPolarHBondContact CG1-NE2 2.88Å; V25-Y94 HydrophobicContact CG1-CD2 3.94Å; V25-Y94 HydrophobicContact CG1-CE2 4.33Å; V25-M101 HydrophobicContact CG2-CG 4.18Å; V25-M101 HydrophobicContact CG2-SD 3.17Å; V25-M101 WeakPolarHBondContact CG2-SD 3.21Å |
| 26 | M | 79.5 | Confident | 85.3 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 4.4 | 175.7 | -63.7 | -166.4 | -63 | 0 | 0 | 113.4 | K22 A23 V24 D28 | K22-M26 HydrophobicContact CG-CE 3.84Å; K22-M26 PolarHBondContact O-N 2.94Å; A23-M26 CarbonylContact O-C 3.54Å; A23-M26 PolarHBondContact O-N 3.35Å; V24-M26 VanDerWaalsContact C-N 3.27Å; V24-M26 PolarHBondContact O-N 3.15Å; M26-D28 WeakPolarHBondContact CE-OD2 3.29Å; M26-D28 PolarHBondContact O-N 2.86Å |
| 27 | L | 83.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 30.9 | -173.1 | -60.4 | -179.8 | 0 | 0 | 0 | 113.9 | A23 V24 V25 E93 K96 Y100 | A23-L27 PolarHBondContact O-N 2.86Å; A23-L27 VanDerWaalsContact O-N 3.13Å; V24-L27 PolarHBondContact O-N 3.23Å; V24-L27 VanDerWaalsContact O-N 3.14Å; V25-L27 VanDerWaalsContact C-N 3.34Å; L27-E93 HydrophobicContact CD1-CB 4.23Å; L27-E93 HydrophobicContact CD1-CG 4.17Å; L27-K96 HydrophobicContact CD1-CB 4.26Å; L27-K96 HydrophobicContact CD1-CD 4.14Å; L27-K96 HydrophobicContact CD2-CB 3.99Å; L27-Y100 HydrophobicContact CD2-CD2 4.02Å; L27-Y100 HydrophobicContact CD2-CE2 3.85Å |
| 28 | D | 83.8 | Confident | 85.3 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | trans | -72.3 | 159.7 | 172.4 | -69.6 | -35.1 | 0 | 0 | 0 | 111.1 | A23 M26 V30 | A23-D28 HydrophobicContact CB-CB 4.03Å; A23-D28 WeakPolarHBondContact O-CB 3.45Å; A23-D28 PolarHBondContact O-N 3.14Å; M26-D28 WeakPolarHBondContact CE-OD2 3.29Å; M26-D28 PolarHBondContact O-N 2.86Å; D28-V30 PolarHBondContact O-N 3Å | ||
| 29 | Y | 84 | Confident | 85.2 | Confident | 201 Ų | 201 | 70.9 Ų | 70.9 | 79% | 0.788 | 35% | 0.348 | S | S | * | . | trans | -65.9 | 125.8 | 179.9 | -179.7 | -99.2 | 0 | 0 | 0 | 111.9 | E31 | Y29-E31 HydrophobicContact CE1-CG 3.86Š| ||
| 30 | V | 85.5 | Confident | 85.1 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | trans | -122.3 | 127.7 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | T20 A23 V24 D28 W35 | T20-V30 HydrophobicContact CG2-CG1 3.81Å; T20-V30 HydrophobicContact CG2-CG2 4.35Å; A23-V30 HydrophobicContact CB-CG2 3.66Å; V24-V30 HydrophobicContact CG2-CG2 4.1Å; D28-V30 PolarHBondContact O-N 3Å; V30-W35 HydrophobicContact CG1-CB 4.37Å; V30-W35 HydrophobicContact CG1-CE3 4.44Å | ||
| 31 | E | 87.4 | Confident | 85 | Confident | 111 Ų | 111 | 69.9 Ų | 69.9 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | trans | -64.2 | 140.2 | 175.7 | -68 | -176.8 | 176.2 | 0 | 0 | 111.6 | Y29 A33 T34 W35 | Y29-E31 HydrophobicContact CE1-CG 3.86Å; E31-A33 PolarHBondContact O-N 3.09Å; E31-T34 HydrophobicContact CB-CG2 4.25Å; E31-T34 PolarHBondContact O-N 2.81Å; E31-T34 PolarHBondContact O-OG1 2.83Å; E31-W35 PolarHBondContact O-N 2.83Å | ||
| 32 | R | 84.8 | Confident | 84.9 | Confident | 215 Ų | 215 | 69.9 Ų | 69.9 | 81% | 0.811 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -31.6 | 179.3 | -71.1 | -175.2 | -179.4 | 179.2 | 0.4 | 113.3 | N36 | R32-N36 VanDerWaalsContact O-CG 3.32Å; R32-N36 PolarHBondContact O-N 2.81Å; R32-N36 PolarHBondContact O-ND2 2.91Å |
| 33 | A | 84 | Confident | 84.8 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -50.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E31 W35 N36 D37 | E31-A33 PolarHBondContact O-N 3.09Å; A33-W35 VanDerWaalsContact C-N 3.31Å; A33-W35 PolarHBondContact O-N 2.95Å; A33-N36 PolarHBondContact O-N 2.81Å; A33-D37 VanDerWaalsContact O-CG 3.28Å; A33-D37 PolarHBondContact O-N 3.49Å |
| 34 | T | 86.7 | Confident | 84.7 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 178.7 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | E31 D37 R38 | E31-T34 HydrophobicContact CB-CG2 4.25Å; E31-T34 PolarHBondContact O-N 2.81Å; E31-T34 PolarHBondContact O-OG1 2.83Å; T34-D37 PolarHBondContact O-N 3.37Å; T34-R38 VanDerWaalsContact O-CG 3.27Å; T34-R38 WeakPolarHBondContact O-CG 3.36Å; T34-R38 PolarHBondContact O-N 3.45Å; T34-R38 PolarHBondContact O-NE 2.86Å |
| 35 | W | 86.2 | Confident | 84.6 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.2 | -175.7 | -103.1 | 0 | 0 | 0 | 113.1 | T20 V24 V30 E31 A33 D37 R38 F39 Y100 L104 | T20-W35 HydrophobicContact CG2-CE3 4.33Å; V24-W35 HydrophobicContact CG1-CZ3 4.39Å; V24-W35 HydrophobicContact CG2-CE3 4.23Å; V24-W35 HydrophobicContact CG2-CH2 4.43Å; V24-W35 HydrophobicContact CG2-CZ3 3.52Å; V30-W35 HydrophobicContact CG1-CB 4.37Å; V30-W35 HydrophobicContact CG1-CE3 4.44Å; E31-W35 PolarHBondContact O-N 2.83Å; A33-W35 VanDerWaalsContact C-N 3.31Å; A33-W35 PolarHBondContact O-N 2.95Å; W35-D37 VanDerWaalsContact C-N 3.33Å; W35-D37 PolarHBondContact O-N 2.89Å; W35-R38 WeakPolarHBondContact O-CB 3.28Å; W35-R38 PolarHBondContact O-N 3.01Å; W35-F39 AromaticContact CD1-CE2 3.67Å; W35-F39 AromaticContact CE2-CE2 3.96Å; W35-F39 HydrophobicContact CG-CE2 4.48Å; W35-F39 HydrophobicContact CZ2-CZ 4.37Å; W35-F39 AromaticContact NE1-CE2 3.32Å; W35-F39 VanDerWaalsContact NE1-CE2 3.32Å; W35-F39 AromaticContact NE1-CZ 3.83Å; W35-F39 WeakPolarHBondContact O-CD2 3.45Å; W35-F39 PolarHBondContact O-N 3.2Å; W35-Y100 WeakPolarHBondContact CH2-O 3.38Å; W35-L104 HydrophobicContact CE3-CD1 4.47Å; W35-L104 HydrophobicContact CH2-CB 3.72Å; W35-L104 HydrophobicContact CH2-CD1 4.32Å; W35-L104 HydrophobicContact CH2-CD2 4.33Å; W35-L104 HydrophobicContact CH2-CG 4.32Å; W35-L104 HydrophobicContact CZ2-CB 4.11Å; W35-L104 HydrophobicContact CZ2-CD1 4.42Å; W35-L104 HydrophobicContact CZ3-CB 4.28Å; W35-L104 HydrophobicContact CZ3-CD1 4.31Å; W35-L104 HydrophobicContact CZ3-CD2 4.05Å; W35-L104 HydrophobicContact CZ3-CG 4.43Å |
| 36 | N | 85.3 | Confident | 84.6 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.3 | -72.2 | -22 | 0 | 0 | 0 | 112 | R32 A33 R38 F39 S40 | R32-N36 VanDerWaalsContact O-CG 3.32Å; R32-N36 PolarHBondContact O-N 2.81Å; R32-N36 PolarHBondContact O-ND2 2.91Å; A33-N36 PolarHBondContact O-N 2.81Å; N36-R38 VanDerWaalsContact C-N 3.29Å; N36-R38 PolarHBondContact O-N 3.13Å; N36-F39 PolarHBondContact O-N 2.93Å; N36-S40 PolarHBondContact O-N 3.16Å |
| 37 | D | 86.5 | Confident | 84.7 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 174.9 | -66.5 | -24 | 0 | 0 | 0 | 111.4 | A33 T34 W35 F39 S40 D41 | A33-D37 VanDerWaalsContact O-CG 3.28Å; A33-D37 PolarHBondContact O-N 3.49Å; T34-D37 PolarHBondContact O-N 3.37Å; W35-D37 VanDerWaalsContact C-N 3.33Å; W35-D37 PolarHBondContact O-N 2.89Å; D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 2.94Å; D37-S40 WeakPolarHBondContact O-CA 3.45Å; D37-S40 WeakPolarHBondContact O-CB 3.3Å; D37-S40 PolarHBondContact O-N 3.28Å; D37-D41 PolarHBondContact O-N 3.42Å |
| 38 | R | 87 | Confident | 84.5 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | 177.3 | -65.4 | -43.6 | 86.9 | -158.6 | -8.6 | 112.7 | L17 T20 T34 W35 N36 S40 D41 I42 L104 | L17-R38 HydrophobicContact CD1-CB 3.89Å; L17-R38 HydrophobicContact CD1-CG 4.02Å; T20-R38 HydrophobicContact CG2-CG 3.7Å; T20-R38 WeakPolarHBondContact OG1-CD 3.48Å; T34-R38 VanDerWaalsContact O-CG 3.27Å; T34-R38 WeakPolarHBondContact O-CG 3.36Å; T34-R38 PolarHBondContact O-N 3.45Å; T34-R38 PolarHBondContact O-NE 2.86Å; W35-R38 WeakPolarHBondContact O-CB 3.28Å; W35-R38 PolarHBondContact O-N 3.01Å; N36-R38 VanDerWaalsContact C-N 3.29Å; N36-R38 PolarHBondContact O-N 3.13Å; R38-S40 VanDerWaalsContact C-N 3.3Å; R38-S40 PolarHBondContact O-N 3.41Å; R38-D41 IonicContact CZ-OD2 3.87Å; R38-D41 IonicContact NE-OD2 3.63Å; R38-D41 IonicContact NH1-OD2 2.69Å; R38-D41 PolarHBondContact NH1-OD2 3.32Å; R38-D41 IonicContact NH2-OD2 2.88Å; R38-D41 PolarHBondContact NH2-OD2 3.27Å; R38-D41 PolarHBondContact O-N 3.4Å; R38-I42 WeakPolarHBondContact O-CG1 3.05Å; R38-I42 PolarHBondContact O-N 2.94Å; R38-L104 HydrophobicContact CB-CD1 3.68Å; R38-L104 HydrophobicContact CB-CD2 4.43Å |
| 39 | F | 85.3 | Confident | 83.6 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 172.9 | -74.1 | -72.8 | 0 | 0 | 0 | 112.1 | W35 N36 D37 D41 Y43 C103 L104 | W35-F39 AromaticContact CD1-CE2 3.67Å; W35-F39 AromaticContact CE2-CE2 3.96Å; W35-F39 HydrophobicContact CG-CE2 4.48Å; W35-F39 HydrophobicContact CZ2-CZ 4.37Å; W35-F39 AromaticContact NE1-CE2 3.32Å; W35-F39 VanDerWaalsContact NE1-CE2 3.32Å; W35-F39 AromaticContact NE1-CZ 3.83Å; W35-F39 WeakPolarHBondContact O-CD2 3.45Å; W35-F39 PolarHBondContact O-N 3.2Å; N36-F39 PolarHBondContact O-N 2.93Å; D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 2.94Å; F39-D41 VanDerWaalsContact C-N 3.33Å; F39-Y43 WeakPolarHBondContact O-CB 3.26Å; F39-Y43 PolarHBondContact O-N 2.98Å; F39-C103 WeakPolarHBondContact CE1-O 3.31Å; F39-L104 HydrophobicContact CD1-CD1 4.16Å; F39-L104 HydrophobicContact CD2-CD1 4.37Å; F39-L104 HydrophobicContact CE1-CD1 4.13Å; F39-L104 WeakPolarHBondContact CE1-O 3.47Å; F39-L104 HydrophobicContact CE2-CD1 4.34Å; F39-L104 HydrophobicContact CG-CD1 4.29Å; F39-L104 HydrophobicContact CZ-CD1 4.21Å |
| 40 | S | 84.2 | Confident | 82.8 | Confident | 68 Ų | 68 | 62 Ų | 62 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | N36 D37 R38 Y43 A44 | N36-S40 PolarHBondContact O-N 3.16Å; D37-S40 WeakPolarHBondContact O-CA 3.45Å; D37-S40 WeakPolarHBondContact O-CB 3.3Å; D37-S40 PolarHBondContact O-N 3.28Å; R38-S40 VanDerWaalsContact C-N 3.3Å; R38-S40 PolarHBondContact O-N 3.41Å; S40-Y43 PolarHBondContact O-N 2.87Å; S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 3.4Å |
| 41 | D | 85.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 176.5 | -73.9 | -2.7 | 0 | 0 | 0 | 111.7 | D37 R38 F39 Y43 A44 L45 | D37-D41 PolarHBondContact O-N 3.42Å; R38-D41 IonicContact CZ-OD2 3.87Å; R38-D41 IonicContact NE-OD2 3.63Å; R38-D41 IonicContact NH1-OD2 2.69Å; R38-D41 PolarHBondContact NH1-OD2 3.32Å; R38-D41 IonicContact NH2-OD2 2.88Å; R38-D41 PolarHBondContact NH2-OD2 3.27Å; R38-D41 PolarHBondContact O-N 3.4Å; F39-D41 VanDerWaalsContact C-N 3.33Å; D41-Y43 VanDerWaalsContact C-N 3.33Å; D41-Y43 PolarHBondContact O-N 2.76Å; D41-A44 PolarHBondContact O-N 3.27Å; D41-L45 WeakPolarHBondContact O-CB 3.33Å; D41-L45 WeakPolarHBondContact O-CG 3.34Å; D41-L45 PolarHBondContact O-N 2.95Å |
| 42 | I | 84.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.3 | -68.3 | 168.9 | 0 | 0 | 0 | 110.7 | L17 R38 L45 C46 L57 L104 Y105 L108 | L17-I42 HydrophobicContact CD1-CD1 4.11Å; L17-I42 HydrophobicContact CD1-CG1 4.03Å; L17-I42 HydrophobicContact CD2-CG1 4.01Å; R38-I42 WeakPolarHBondContact O-CG1 3.05Å; R38-I42 PolarHBondContact O-N 2.94Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-C46 WeakPolarHBondContact O-CB 3.42Å; I42-C46 PolarHBondContact O-N 3.21Å; I42-C46 PolarHBondContact O-SG 3.05Å; I42-L57 HydrophobicContact CG2-CD2 4.48Å; I42-L104 HydrophobicContact CD1-CD1 3.95Å; I42-L104 HydrophobicContact CD1-CD2 4.27Å; I42-L104 HydrophobicContact CD1-CG 3.6Å; I42-L104 WeakPolarHBondContact CD1-O 3.29Å; I42-Y105 HydrophobicContact CD1-CD1 3.95Å; I42-Y105 HydrophobicContact CD1-CE1 3.99Å; I42-Y105 HydrophobicContact CD1-CG 4.36Å; I42-Y105 HydrophobicContact CG1-CE1 4.32Å; I42-L108 HydrophobicContact CG2-CB 4.34Å |
| 43 | Y | 84.6 | Confident | 81.6 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 174.3 | 177 | -93.4 | 0 | 0 | 0 | 111.6 | L3 F39 S40 D41 L45 C46 V47 Y107 | L3-Y43 HydrophobicContact CD2-CD1 4.25Å; L3-Y43 HydrophobicContact CD2-CE1 3.63Å; F39-Y43 WeakPolarHBondContact O-CB 3.26Å; F39-Y43 PolarHBondContact O-N 2.98Å; S40-Y43 PolarHBondContact O-N 2.87Å; D41-Y43 VanDerWaalsContact C-N 3.33Å; D41-Y43 PolarHBondContact O-N 2.76Å; Y43-L45 VanDerWaalsContact C-N 3.32Å; Y43-L45 PolarHBondContact O-N 3.23Å; Y43-C46 PolarHBondContact O-N 2.92Å; Y43-V47 HydrophobicContact CD2-CG2 4.31Å; Y43-V47 HydrophobicContact CE1-CG2 4.37Å; Y43-V47 HydrophobicContact CE2-CG2 3.97Å; Y43-V47 WeakPolarHBondContact O-CG2 3.18Å; Y43-V47 PolarHBondContact O-N 3.27Å; Y43-Y107 HydrophobicContact CD2-CD1 4.17Å; Y43-Y107 HydrophobicContact CD2-CD2 4.21Å; Y43-Y107 AromaticContact CD2-CE1 3.63Å; Y43-Y107 HydrophobicContact CD2-CE1 3.63Å; Y43-Y107 AromaticContact CD2-CE2 3.68Å; Y43-Y107 HydrophobicContact CD2-CE2 3.68Å; Y43-Y107 HydrophobicContact CD2-CG 4.45Å; Y43-Y107 AromaticContact CD2-CZ 3.37Å; Y43-Y107 HydrophobicContact CE2-CE1 4.21Å; Y43-Y107 AromaticContact CE2-CE2 3.93Å; Y43-Y107 HydrophobicContact CE2-CE2 3.93Å; Y43-Y107 AromaticContact CE2-CZ 3.57Å; Y43-Y107 WeakPolarHBondContact CE2-OH 3.4Å; Y43-Y107 HydrophobicContact CG-CE1 4.45Å |
| 44 | A | 83.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -36.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V8 S40 D41 A48 | V8-A44 HydrophobicContact CG2-CB 4.17Å; S40-A44 VanDerWaalsContact O-CB 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 3.4Å; D41-A44 PolarHBondContact O-N 3.27Å; A44-A48 WeakPolarHBondContact O-CA 3.42Å; A44-A48 PolarHBondContact O-N 3.3Å; A44-A48 VanDerWaalsContact O-N 3.08Å |
| 45 | L | 82.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 175.5 | -75.9 | 168.4 | 0 | 0 | 0 | 112.4 | V8 F10 T13 D41 I42 Y43 V47 A48 L53 L57 | V8-L45 HydrophobicContact CG1-CD2 4.22Å; F10-L45 HydrophobicContact CD2-CD2 3.78Å; F10-L45 HydrophobicContact CE2-CD2 4.42Å; T13-L45 WeakPolarHBondContact OG1-CD2 3.43Å; D41-L45 WeakPolarHBondContact O-CB 3.33Å; D41-L45 WeakPolarHBondContact O-CG 3.34Å; D41-L45 PolarHBondContact O-N 2.95Å; I42-L45 PolarHBondContact O-N 3.47Å; Y43-L45 VanDerWaalsContact C-N 3.32Å; Y43-L45 PolarHBondContact O-N 3.23Å; L45-V47 VanDerWaalsContact C-N 3.33Å; L45-V47 PolarHBondContact O-N 3.3Å; L45-A48 WeakPolarHBondContact O-CB 3.5Å; L45-L53 HydrophobicContact CD2-CD1 4.17Å; L45-L53 PolarHBondContact O-N 3.32Å; L45-L53 VanDerWaalsContact O-N 3.12Å; L45-L57 HydrophobicContact CB-CD2 4.33Å; L45-L57 HydrophobicContact CD1-CD1 4.29Å; L45-L57 HydrophobicContact CD1-CD2 4.25Å |
| 46 | C | 81.4 | Confident | 80.9 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.1 | -23.4 | 178.2 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | I42 Y43 P52 Y107 L108 | I42-C46 WeakPolarHBondContact O-CB 3.42Å; I42-C46 PolarHBondContact O-N 3.21Å; I42-C46 PolarHBondContact O-SG 3.05Å; Y43-C46 PolarHBondContact O-N 2.92Å; C46-P52 WeakPolarHBondContact O-CB 3.22Å; C46-Y107 HydrophobicContact CB-CD1 3.88Å; C46-Y107 HydrophobicContact CB-CE1 3.62Å; C46-L108 VanDerWaalsContact SG-CD1 3.54Å |
| 47 | V | 81.6 | Confident | 80.9 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 18.8 | -179.4 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | P5 Y43 L45 Y107 | P5-V47 HydrophobicContact CB-CG1 4.27Å; P5-V47 HydrophobicContact CG-CG1 3.95Å; Y43-V47 HydrophobicContact CD2-CG2 4.31Å; Y43-V47 HydrophobicContact CE1-CG2 4.37Å; Y43-V47 HydrophobicContact CE2-CG2 3.97Å; Y43-V47 WeakPolarHBondContact O-CG2 3.18Å; Y43-V47 PolarHBondContact O-N 3.27Å; L45-V47 VanDerWaalsContact C-N 3.33Å; L45-V47 PolarHBondContact O-N 3.3Å; V47-Y107 HydrophobicContact CG2-CE1 4.2Å |
| 48 | A | 79.6 | Confident | 80.9 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | trans | -62 | 150 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V8 A44 L45 E51 L53 | V8-A48 HydrophobicContact CG2-CB 4.49Å; A44-A48 WeakPolarHBondContact O-CA 3.42Å; A44-A48 PolarHBondContact O-N 3.3Å; A44-A48 VanDerWaalsContact O-N 3.08Å; L45-A48 WeakPolarHBondContact O-CB 3.5Å; A48-E51 CarbonylContact O-C 3.46Å; A48-L53 HydrophobicContact CB-CD1 3.67Å; A48-L53 HydrophobicContact CB-CG 4.13Å | ||
| 49 | Y | 66.4 | Low | 80.8 | Confident | 155 Ų | 155 | 54.8 Ų | 54.8 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -117.8 | 137.8 | 176.1 | -178.1 | -91.6 | 0 | 0 | 0 | 109.1 | R6 | R6-Y49 PolarHBondContact O-N 2.83Å; R6-Y49 VanDerWaalsContact O-N 3.14Å |
| 50 | P | 65.7 | Low | 80.9 | Confident | 106 Ų | 106 | 54.6 Ų | 54.6 | 69% | 0.688 | 28% | 0.284 | S | S | * | . | S | Bend | cis | -83 | -20.3 | 13.6 | 30.1 | -33.8 | 0 | 0 | 0 | 116.8 | ||
| 51 | E | 74.3 | Confident | 81.1 | Confident | 148 Ų | 148 | 51.3 Ų | 51.3 | 69% | 0.692 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -128.8 | 147.9 | 178.5 | -70.5 | -177.3 | 173 | 0 | 0 | 111.5 | A48 L53 | A48-E51 CarbonylContact O-C 3.46Å; E51-L53 PolarHBondContact O-N 3.39Å |
| 52 | P | 77.8 | Confident | 81.2 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 57% | 0.571 | 27% | 0.265 | S | S | * | . | trans | -68.7 | 127.5 | 176.5 | 28.6 | -33.7 | 0 | 0 | 0 | 111.1 | C46 G54 | C46-P52 WeakPolarHBondContact O-CB 3.22Å; P52-G54 PolarHBondContact O-N 3.13Å | ||
| 53 | L | 81.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 18.8 | -176.1 | -65.7 | 158.5 | 0 | 0 | 0 | 113.3 | F10 L45 A48 E51 E55 K56 L57 | F10-L53 HydrophobicContact CB-CD1 4.32Å; F10-L53 HydrophobicContact CD2-CB 4.12Å; F10-L53 HydrophobicContact CD2-CD1 4.28Å; F10-L53 HydrophobicContact CD2-CD2 4.45Å; L45-L53 HydrophobicContact CD2-CD1 4.17Å; L45-L53 PolarHBondContact O-N 3.32Å; L45-L53 VanDerWaalsContact O-N 3.12Å; A48-L53 HydrophobicContact CB-CD1 3.67Å; A48-L53 HydrophobicContact CB-CG 4.13Å; E51-L53 PolarHBondContact O-N 3.39Å; L53-E55 PolarHBondContact O-N 3.04Å; L53-K56 PolarHBondContact O-N 2.84Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 3.36Å |
| 54 | G | 79.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -35.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P52 L57 Y58 | P52-G54 PolarHBondContact O-N 3.13Å; G54-L57 PolarHBondContact O-N 3.44Å; G54-Y58 PolarHBondContact O-N 3.03Å |
| 55 | E | 80.8 | Confident | 81.9 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.9 | -47.7 | 177.6 | -169.8 | 177.4 | 169.8 | 0 | 0 | 111.6 | L53 L57 Y58 T59 F112 | L53-E55 PolarHBondContact O-N 3.04Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 3.46Å; E55-Y58 WeakPolarHBondContact O-CB 3.23Å; E55-Y58 PolarHBondContact O-N 3.19Å; E55-Y58 VanDerWaalsContact O-N 3.15Å; E55-T59 PolarHBondContact O-N 3.2Å; E55-T59 PolarHBondContact O-OG1 3.4Å; E55-F112 HydrophobicContact CB-CE1 4.4Å; E55-F112 HydrophobicContact CB-CE2 4.1Å; E55-F112 HydrophobicContact CB-CZ 3.54Å; E55-F112 HydrophobicContact CG-CZ 4.13Å |
| 56 | K | 82.7 | Confident | 82.3 | Confident | 92 Ų | 92 | 56 Ų | 56 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 176.1 | -165.4 | -178.3 | 178.4 | -168.9 | 0 | 110.9 | F10 L53 Y58 T59 E60 | F10-K56 HydrophobicContact CD1-CD 3.88Å; F10-K56 HydrophobicContact CD2-CD 4.03Å; F10-K56 HydrophobicContact CD2-CG 4.5Å; F10-K56 HydrophobicContact CE1-CD 3.8Å; F10-K56 HydrophobicContact CE1-CG 4.01Å; F10-K56 HydrophobicContact CE2-CB 4.01Å; F10-K56 HydrophobicContact CE2-CD 3.96Å; F10-K56 HydrophobicContact CE2-CG 3.93Å; F10-K56 HydrophobicContact CG-CD 4Å; F10-K56 HydrophobicContact CZ-CB 4.18Å; F10-K56 HydrophobicContact CZ-CD 3.84Å; F10-K56 HydrophobicContact CZ-CG 3.66Å; L53-K56 PolarHBondContact O-N 2.84Å; K56-Y58 PolarHBondContact O-N 2.79Å; K56-T59 PolarHBondContact O-N 2.94Å; K56-E60 WeakPolarHBondContact O-CB 3.42Å; K56-E60 VanDerWaalsContact O-CG 3.32Å; K56-E60 WeakPolarHBondContact O-CG 3.34Å; K56-E60 PolarHBondContact O-N 3.34Å |
| 57 | L | 85 | Confident | 82.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.7 | -179.5 | 59.7 | 0 | 0 | 0 | 112.6 | F10 W14 L17 I42 L45 L53 G54 E55 T61 Y105 L108 | F10-L57 HydrophobicContact CE2-CB 4.27Å; W14-L57 HydrophobicContact CE3-CD1 3.55Å; W14-L57 HydrophobicContact CZ3-CD1 3.45Å; W14-L57 VanDerWaalsContact CZ3-CD1 3.45Å; L17-L57 HydrophobicContact CD2-CD1 3.75Å; I42-L57 HydrophobicContact CG2-CD2 4.48Å; L45-L57 HydrophobicContact CB-CD2 4.33Å; L45-L57 HydrophobicContact CD1-CD1 4.29Å; L45-L57 HydrophobicContact CD1-CD2 4.25Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 3.36Å; G54-L57 PolarHBondContact O-N 3.44Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 3.46Å; L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 PolarHBondContact O-N 3.03Å; L57-T61 PolarHBondContact O-OG1 3.01Å; L57-Y105 HydrophobicContact CD1-CE1 4.25Å; L57-Y105 HydrophobicContact CD2-CE1 4.04Å; L57-Y105 HydrophobicContact CG-CE1 4.07Å; L57-L108 HydrophobicContact CD2-CD1 4.41Å; L57-L108 HydrophobicContact CD2-CD2 4.24Å; L57-L108 HydrophobicContact CG-CD2 4.33Å |
| 58 | Y | 85.7 | Confident | 83.1 | Confident | 15 Ų | 15 | 58 Ų | 58 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.2 | -174.1 | -96.7 | 0 | 0 | 0 | 112 | G54 E55 K56 T61 K62 I113 L136 M137 I139 L142 | G54-Y58 PolarHBondContact O-N 3.03Å; E55-Y58 WeakPolarHBondContact O-CB 3.23Å; E55-Y58 PolarHBondContact O-N 3.19Å; E55-Y58 VanDerWaalsContact O-N 3.15Å; K56-Y58 PolarHBondContact O-N 2.79Å; Y58-T61 PolarHBondContact O-N 3.22Å; Y58-K62 PolarHBondContact O-N 3.38Å; Y58-I113 HydrophobicContact CD2-CD1 3.78Å; Y58-I113 HydrophobicContact CD2-CG1 4.26Å; Y58-I113 HydrophobicContact CE2-CD1 3.67Å; Y58-I113 HydrophobicContact CE2-CG1 4.26Å; Y58-L136 HydrophobicContact CD1-CD2 3.84Å; Y58-L136 HydrophobicContact CE1-CD2 3.61Å; Y58-L136 HydrophobicContact CG-CD2 4.45Å; Y58-M137 WeakPolarHBondContact CE2-O 3.44Å; Y58-M137 PolarHBondContact OH-N 3.43Å; Y58-M137 VanDerWaalsContact OH-N 3.08Å; Y58-M137 PolarHBondContact OH-O 3.03Å; Y58-I139 HydrophobicContact CD2-CD1 3.6Å; Y58-I139 HydrophobicContact CE2-CD1 3.65Å; Y58-L142 HydrophobicContact CE1-CD2 4.41Å; Y58-L142 HydrophobicContact CE2-CD2 4.14Å |
| 59 | T | 85.5 | Confident | 83.7 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 179.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | E55 K56 T61 K62 V63 | E55-T59 PolarHBondContact O-N 3.2Å; E55-T59 PolarHBondContact O-OG1 3.4Å; K56-T59 PolarHBondContact O-N 2.94Å; T59-T61 VanDerWaalsContact C-N 3.32Å; T59-T61 PolarHBondContact O-N 3.44Å; T59-K62 WeakPolarHBondContact O-CB 3.44Å; T59-K62 PolarHBondContact O-N 3.26Å; T59-V63 WeakPolarHBondContact O-CG2 3.21Å; T59-V63 PolarHBondContact O-N 2.9Å |
| 60 | E | 87.1 | Confident | 84.8 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 177.3 | -68.7 | -62.7 | 152.2 | 0 | 0 | 112 | F10 W14 K56 V63 F64 | F10-E60 HydrophobicContact CE1-CG 4.16Å; F10-E60 HydrophobicContact CZ-CG 4.03Å; W14-E60 HydrophobicContact CD2-CB 4.34Å; W14-E60 HydrophobicContact CH2-CB 3.85Å; W14-E60 HydrophobicContact CZ2-CB 3.43Å; W14-E60 VanDerWaalsContact CZ2-CB 3.43Å; W14-E60 HydrophobicContact CZ3-CB 4.43Å; K56-E60 WeakPolarHBondContact O-CB 3.42Å; K56-E60 VanDerWaalsContact O-CG 3.32Å; K56-E60 WeakPolarHBondContact O-CG 3.34Å; K56-E60 PolarHBondContact O-N 3.34Å; E60-V63 PolarHBondContact O-N 3.33Å; E60-F64 WeakPolarHBondContact O-CB 3.46Å; E60-F64 PolarHBondContact O-N 2.94Å |
| 61 | T | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | L57 Y58 T59 F64 L65 M101 Y105 I139 | L57-T61 WeakPolarHBondContact O-CB 3.33Å; L57-T61 PolarHBondContact O-N 3.03Å; L57-T61 PolarHBondContact O-OG1 3.01Å; Y58-T61 PolarHBondContact O-N 3.22Å; T59-T61 VanDerWaalsContact C-N 3.32Å; T59-T61 PolarHBondContact O-N 3.44Å; T61-F64 PolarHBondContact O-N 3.45Å; T61-L65 HydrophobicContact CG2-CD1 4.34Å; T61-L65 WeakPolarHBondContact O-CG 3.4Å; T61-L65 PolarHBondContact O-N 3.14Å; T61-M101 HydrophobicContact CG2-CE 3.88Å; T61-Y105 HydrophobicContact CG2-CE2 4.19Å; T61-Y105 PolarHBondContact OG1-OH 2.93Å; T61-Y105 VanDerWaalsContact OG1-OH 3.06Å; T61-I139 HydrophobicContact CG2-CD1 4.07Å; T61-I139 HydrophobicContact CG2-CG2 4.45Å |
| 62 | K | 87.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.6 | -176.6 | -179.3 | 175.4 | -166.7 | 0 | 111.5 | Y58 T59 F64 L65 E66 E134 L142 | Y58-K62 PolarHBondContact O-N 3.38Å; T59-K62 WeakPolarHBondContact O-CB 3.44Å; T59-K62 PolarHBondContact O-N 3.26Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.21Å; K62-L65 PolarHBondContact O-N 2.99Å; K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 PolarHBondContact O-N 3.24Å; K62-E134 IonicContact NZ-OE1 2.7Å; K62-E134 IonicContact NZ-OE2 3.28Å; K62-E134 PolarHBondContact NZ-OE2 3.42Å; K62-L142 HydrophobicContact CB-CD2 3.92Å; K62-L142 HydrophobicContact CD-CD1 4.39Å; K62-L142 HydrophobicContact CG-CD1 4.23Å; K62-L142 HydrophobicContact CG-CD2 4.14Å |
| 63 | V | 89.3 | Confident | 87.2 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 38% | 0.376 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111 | T59 E60 N67 | T59-V63 WeakPolarHBondContact O-CG2 3.21Å; T59-V63 PolarHBondContact O-N 2.9Å; E60-V63 PolarHBondContact O-N 3.33Å; V63-N67 WeakPolarHBondContact CG1-ND2 3.48Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.91Å; V63-N67 PolarHBondContact O-ND2 2.93Å; V63-N67 VanDerWaalsContact O-ND2 3.08Å |
| 64 | F | 90.5 | Very high | 87.5 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 174.7 | 172.1 | -96.4 | 0 | 0 | 0 | 112.3 | L18 I21 K22 V25 E60 T61 K62 E66 N67 H68 | L18-F64 HydrophobicContact CD1-CB 4.28Å; L18-F64 HydrophobicContact CD1-CD2 3.41Å; L18-F64 VanDerWaalsContact CD1-CD2 3.41Å; L18-F64 HydrophobicContact CD1-CE2 3.9Å; L18-F64 HydrophobicContact CD1-CG 3.88Å; I21-F64 HydrophobicContact CG2-CD1 3.76Å; I21-F64 HydrophobicContact CG2-CE1 3.45Å; I21-F64 VanDerWaalsContact CG2-CE1 3.45Å; I21-F64 HydrophobicContact CG2-CZ 4.16Å; K22-F64 HydrophobicContact CB-CE2 4.2Å; K22-F64 HydrophobicContact CB-CZ 4.04Å; K22-F64 HydrophobicContact CG-CZ 4.46Å; V25-F64 HydrophobicContact CG2-CE1 4.15Å; E60-F64 WeakPolarHBondContact O-CB 3.46Å; E60-F64 PolarHBondContact O-N 2.94Å; T61-F64 PolarHBondContact O-N 3.45Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.21Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 2.87Å; F64-N67 PolarHBondContact O-N 3.11Å; F64-H68 HydrophobicContact CZ-CB 4.48Å; F64-H68 WeakPolarHBondContact O-CB 3.39Å; F64-H68 PolarHBondContact O-N 3.04Å |
| 65 | L | 89.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -46 | 178.7 | -74.2 | 171.3 | 0 | 0 | 0 | 111.2 | T61 K62 N67 H68 V69 Y94 M101 L142 A143 M146 | T61-L65 HydrophobicContact CG2-CD1 4.34Å; T61-L65 WeakPolarHBondContact O-CG 3.4Å; T61-L65 PolarHBondContact O-N 3.14Å; K62-L65 PolarHBondContact O-N 2.99Å; L65-N67 PolarHBondContact O-N 3.44Å; L65-H68 PolarHBondContact O-N 3.3Å; L65-V69 WeakPolarHBondContact O-CB 3.41Å; L65-V69 VanDerWaalsContact O-CG2 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.3Å; L65-Y94 HydrophobicContact CD2-CE2 4.32Å; L65-M101 HydrophobicContact CD1-CE 4.32Å; L65-M101 HydrophobicContact CD2-CE 3.87Å; L65-M101 HydrophobicContact CD2-SD 4.01Å; L65-M101 HydrophobicContact CG-CE 4.22Å; L65-L142 HydrophobicContact CD1-CD2 4.19Å; L65-L142 HydrophobicContact CD1-CG 4.34Å; L65-A143 HydrophobicContact CD1-CB 4.14Å; L65-A143 HydrophobicContact CD2-CB 4.34Å; L65-M146 HydrophobicContact CB-CG 4.37Å |
| 66 | E | 90.3 | Very high | 88.1 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 176.8 | 174.2 | 168.8 | -168.2 | 0 | 0 | 111.9 | K62 F64 H68 V69 R70 L150 | K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 PolarHBondContact O-N 3.24Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 2.87Å; E66-H68 VanDerWaalsContact C-N 3.34Å; E66-H68 PolarHBondContact O-N 3.09Å; E66-V69 PolarHBondContact O-N 3.03Å; E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 VanDerWaalsContact O-CG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.65Å; E66-R70 IonicContact OE1-CZ 2.92Å; E66-R70 VanDerWaalsContact OE1-CZ 3.28Å; E66-R70 IonicContact OE1-NE 3.33Å; E66-R70 PolarHBondContact OE1-NE 2.98Å; E66-R70 IonicContact OE1-NH2 2.91Å; E66-R70 PolarHBondContact OE1-NH2 3.32Å; E66-L150 HydrophobicContact CB-CD1 4.3Å; E66-L150 HydrophobicContact CG-CD1 3.89Å |
| 67 | N | 90.3 | Very high | 88.2 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 179.2 | -77.1 | -37.5 | 0 | 0 | 0 | 112.2 | V63 F64 L65 R70 Q71 | V63-N67 WeakPolarHBondContact CG1-ND2 3.48Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.91Å; V63-N67 PolarHBondContact O-ND2 2.93Å; V63-N67 VanDerWaalsContact O-ND2 3.08Å; F64-N67 PolarHBondContact O-N 3.11Å; L65-N67 PolarHBondContact O-N 3.44Å; N67-R70 PolarHBondContact O-N 3.16Å; N67-Q71 WeakPolarHBondContact O-CG 3.4Å; N67-Q71 PolarHBondContact O-N 3.38Å |
| 68 | H | 89.8 | Confident | 88.1 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 178.1 | -173.9 | 75.1 | 0 | 0 | 0 | 111.5 | V25 F64 L65 E66 R70 Q71 L72 | V25-H68 VanDerWaalsContact CG1-CD2 3.43Å; V25-H68 WeakPolarHBondContact CG1-CD2 3.29Å; V25-H68 VanDerWaalsContact CG1-NE2 3.3Å; V25-H68 WeakPolarHBondContact CG1-NE2 2.88Å; F64-H68 HydrophobicContact CZ-CB 4.48Å; F64-H68 WeakPolarHBondContact O-CB 3.39Å; F64-H68 PolarHBondContact O-N 3.04Å; L65-H68 PolarHBondContact O-N 3.3Å; E66-H68 VanDerWaalsContact C-N 3.34Å; E66-H68 PolarHBondContact O-N 3.09Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 2.76Å; H68-Q71 WeakPolarHBondContact O-CB 3.38Å; H68-Q71 PolarHBondContact O-N 3.4Å; H68-Q71 VanDerWaalsContact O-N 3.09Å; H68-L72 WeakPolarHBondContact NE2-CD1 3.44Å; H68-L72 PolarHBondContact O-N 3.2Å |
| 69 | V | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 111 | L65 E66 Q71 L72 Y73 Y94 M146 W147 L150 M151 | L65-V69 WeakPolarHBondContact O-CB 3.41Å; L65-V69 VanDerWaalsContact O-CG2 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.3Å; E66-V69 PolarHBondContact O-N 3.03Å; V69-Q71 VanDerWaalsContact C-N 3.31Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-L72 PolarHBondContact O-N 3.15Å; V69-Y73 PolarHBondContact O-N 3.32Å; V69-Y94 HydrophobicContact CG2-CD2 4.49Å; V69-Y94 HydrophobicContact CG2-CE2 3.62Å; V69-Y94 WeakPolarHBondContact CG2-OH 3.2Å; V69-M146 HydrophobicContact CG2-CB 4.45Å; V69-W147 HydrophobicContact CG1-CE3 4.36Å; V69-W147 HydrophobicContact CG2-CE3 4.34Å; V69-L150 HydrophobicContact CB-CB 4.44Å; V69-L150 HydrophobicContact CB-CD1 4.16Å; V69-L150 HydrophobicContact CG1-CB 3.6Å; V69-L150 HydrophobicContact CG1-CD1 4.19Å; V69-M151 HydrophobicContact CG1-CG 3.39Å; V69-M151 HydrophobicContact CG1-SD 4.08Å |
| 70 | R | 89.8 | Confident | 86.6 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 173.1 | -73.8 | 177.6 | -175.1 | -73.9 | 3 | 113.1 | E66 N67 H68 K74 L150 | E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 VanDerWaalsContact O-CG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.47Å; E66-R70 PolarHBondContact O-N 2.65Å; E66-R70 IonicContact OE1-CZ 2.92Å; E66-R70 VanDerWaalsContact OE1-CZ 3.28Å; E66-R70 IonicContact OE1-NE 3.33Å; E66-R70 PolarHBondContact OE1-NE 2.98Å; E66-R70 IonicContact OE1-NH2 2.91Å; E66-R70 PolarHBondContact OE1-NH2 3.32Å; N67-R70 PolarHBondContact O-N 3.16Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 2.76Å; R70-K74 PolarHBondContact O-N 3.03Å; R70-L150 HydrophobicContact CG-CD1 4.32Å; R70-L150 HydrophobicContact CG-CD2 4.43Å |
| 71 | Q | 89.4 | Confident | 85.7 | Confident | 115 Ų | 115 | 70.6 Ų | 70.6 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 174.2 | -72.9 | 174 | 12.4 | 0 | 0 | 111.6 | N67 H68 V69 Y73 K74 K75 | N67-Q71 WeakPolarHBondContact O-CG 3.4Å; N67-Q71 PolarHBondContact O-N 3.38Å; H68-Q71 WeakPolarHBondContact O-CB 3.38Å; H68-Q71 PolarHBondContact O-N 3.4Å; H68-Q71 VanDerWaalsContact O-N 3.09Å; V69-Q71 VanDerWaalsContact C-N 3.31Å; V69-Q71 PolarHBondContact O-N 3.4Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Q71-K74 PolarHBondContact O-N 3.31Å; Q71-K75 PolarHBondContact O-N 2.9Å |
| 72 | L | 89.2 | Confident | 85.3 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -41 | 174.7 | -66 | 179.5 | 0 | 0 | 0 | 111.5 | H68 V69 K74 K75 V76 Y90 Y94 W147 M151 | H68-L72 WeakPolarHBondContact NE2-CD1 3.44Å; H68-L72 PolarHBondContact O-N 3.2Å; V69-L72 PolarHBondContact O-N 3.15Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.98Å; L72-K75 PolarHBondContact O-N 2.95Å; L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.46Å; L72-Y90 HydrophobicContact CD2-CD1 4.03Å; L72-Y90 HydrophobicContact CD2-CD2 4.46Å; L72-Y90 HydrophobicContact CD2-CE1 4.24Å; L72-Y90 HydrophobicContact CD2-CG 4.15Å; L72-Y94 HydrophobicContact CD1-CD2 4.44Å; L72-W147 HydrophobicContact CD1-CH2 4.33Å; L72-W147 HydrophobicContact CD1-CZ3 3.75Å; L72-M151 HydrophobicContact CB-CE 4.43Å; L72-M151 HydrophobicContact CB-SD 4.32Å |
| 73 | Y | 89.3 | Confident | 85.3 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 26% | 0.255 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.3 | -47.4 | 175.4 | 176.8 | -100.6 | 0 | 0 | 0 | 112.1 | V69 Q71 K75 V76 L77 L150 M151 P154 L155 | V69-Y73 PolarHBondContact O-N 3.32Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Y73-K75 PolarHBondContact O-N 2.88Å; Y73-V76 PolarHBondContact O-N 3.5Å; Y73-L77 HydrophobicContact CE1-CD2 4.32Å; Y73-L77 WeakPolarHBondContact O-CB 3.35Å; Y73-L77 PolarHBondContact O-N 3.39Å; Y73-L150 WeakPolarHBondContact CD2-O 3.33Å; Y73-M151 WeakPolarHBondContact CA-SD 3.45Å; Y73-M151 VanDerWaalsContact CB-SD 3.57Å; Y73-M151 HydrophobicContact CD2-SD 4.24Å; Y73-M151 HydrophobicContact CG-SD 4.43Å; Y73-M151 PolarHBondContact N-SD 2.79Å; Y73-M151 VanDerWaalsContact N-SD 3.4Å; Y73-P154 HydrophobicContact CE2-CB 3.72Å; Y73-P154 HydrophobicContact CE2-CG 4.38Å; Y73-L155 HydrophobicContact CD2-CD1 4.21Å; Y73-L155 HydrophobicContact CD2-CD2 4.32Å; Y73-L155 HydrophobicContact CD2-CG 4.09Å; Y73-L155 HydrophobicContact CE2-CD1 4.3Å; Y73-L155 HydrophobicContact CE2-CD2 3.64Å; Y73-L155 HydrophobicContact CE2-CG 3.71Å |
| 74 | K | 88.2 | Confident | 85.1 | Confident | 139 Ų | 139 | 73.3 Ų | 73.3 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 177.2 | -71.3 | 179 | 179.5 | -176.7 | 0 | 112 | R70 Q71 L72 V76 L77 E78 | R70-K74 PolarHBondContact O-N 3.03Å; Q71-K74 PolarHBondContact O-N 3.31Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.98Å; K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 PolarHBondContact O-N 3.49Å; K74-L77 PolarHBondContact O-N 2.85Å; K74-E78 WeakPolarHBondContact O-CG 3.3Å; K74-E78 PolarHBondContact O-N 3.38Å; K74-E78 VanDerWaalsContact O-N 3.11Å |
| 75 | K | 86.8 | Confident | 85 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 178.1 | -68.2 | 178.8 | -178.9 | 179 | 0 | 112.9 | Q71 L72 Y73 S79 Y90 | Q71-K75 PolarHBondContact O-N 2.9Å; L72-K75 PolarHBondContact O-N 2.95Å; Y73-K75 PolarHBondContact O-N 2.88Å; K75-S79 PolarHBondContact O-OG 3.39Å; K75-Y90 HydrophobicContact CB-CE2 4.21Å |
| 76 | V | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111 | L72 Y73 K74 E78 S79 V83 Y90 M151 L155 | L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.46Å; Y73-V76 PolarHBondContact O-N 3.5Å; K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 PolarHBondContact O-N 3.49Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 2.8Å; V76-S79 PolarHBondContact O-N 3.41Å; V76-V83 HydrophobicContact CG1-CG1 3.74Å; V76-Y90 HydrophobicContact CG2-CD2 3.52Å; V76-Y90 HydrophobicContact CG2-CE2 3.82Å; V76-M151 HydrophobicContact CB-CE 4.42Å; V76-M151 HydrophobicContact CG2-CE 3.87Å; V76-L155 HydrophobicContact CB-CD1 4.47Å; V76-L155 HydrophobicContact CG1-CD1 3.73Å |
| 77 | L | 84.1 | Confident | 85 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 179.2 | -169.9 | 65.8 | 0 | 0 | 0 | 112.8 | Y73 K74 S79 | Y73-L77 HydrophobicContact CE1-CD2 4.32Å; Y73-L77 WeakPolarHBondContact O-CB 3.35Å; Y73-L77 PolarHBondContact O-N 3.39Å; K74-L77 PolarHBondContact O-N 2.85Å; L77-S79 PolarHBondContact O-N 3.11Å |
| 78 | E | 83.8 | Confident | 85 | Confident | 158 Ų | 158 | 71.4 Ų | 71.4 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | 175.4 | -73 | 167.6 | -171.1 | 0 | 0 | 113.4 | K74 V76 | K74-E78 WeakPolarHBondContact O-CG 3.3Å; K74-E78 PolarHBondContact O-N 3.38Å; K74-E78 VanDerWaalsContact O-N 3.11Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 2.8Å |
| 79 | S | 73.9 | Confident | 85 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | trans | -103.7 | 60.4 | -174.3 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | K75 V76 L77 E81 K82 V83 | K75-S79 PolarHBondContact O-OG 3.39Å; V76-S79 PolarHBondContact O-N 3.41Å; L77-S79 PolarHBondContact O-N 3.11Å; S79-E81 VanDerWaalsContact C-N 3.3Å; S79-E81 PolarHBondContact O-N 3.27Å; S79-E81 VanDerWaalsContact O-N 3.11Å; S79-K82 PolarHBondContact O-N 3.01Å; S79-K82 VanDerWaalsContact O-N 3.08Å; S79-V83 WeakPolarHBondContact O-CG2 3.5Å; S79-V83 PolarHBondContact O-N 2.95Å; S79-V83 VanDerWaalsContact O-N 3.12Å | ||
| 80 | E | 65.5 | Low | 85 | Confident | 169 Ų | 169 | 76.9 Ų | 76.9 | 79% | 0.79 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -39.3 | -171.7 | -72.4 | -169.7 | 162.3 | 0 | 0 | 115.2 | ||
| 81 | E | 67.5 | Low | 85.1 | Confident | 177 Ų | 177 | 72.1 Ų | 72.1 | 83% | 0.827 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -18.3 | -177.5 | -66.5 | -173.4 | 160.6 | 0 | 0 | 114.3 | S79 | S79-E81 VanDerWaalsContact C-N 3.3Å; S79-E81 PolarHBondContact O-N 3.27Å; S79-E81 VanDerWaalsContact O-N 3.11Å |
| 82 | K | 80.6 | Confident | 85.2 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 21.1 | -172.7 | -65.6 | -179.4 | -176.9 | 173.3 | 0 | 113.4 | S79 L84 V85 M86 | S79-K82 PolarHBondContact O-N 3.01Å; S79-K82 VanDerWaalsContact O-N 3.08Å; K82-L84 VanDerWaalsContact C-N 3.27Å; K82-L84 PolarHBondContact O-N 2.94Å; K82-V85 PolarHBondContact O-N 3.26Å; K82-V85 VanDerWaalsContact O-N 3.16Å; K82-M86 HydrophobicContact CB-CG 4.46Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.29Å |
| 83 | V | 86 | Confident | 85.2 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -49.3 | -46.2 | -177.8 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | V76 S79 V85 Y87 L159 M162 | V76-V83 HydrophobicContact CG1-CG1 3.74Å; S79-V83 WeakPolarHBondContact O-CG2 3.5Å; S79-V83 PolarHBondContact O-N 2.95Å; S79-V83 VanDerWaalsContact O-N 3.12Å; V83-V85 PolarHBondContact O-N 3.27Å; V83-Y87 WeakPolarHBondContact O-CB 3.48Å; V83-Y87 PolarHBondContact O-N 2.92Å; V83-L159 HydrophobicContact CG1-CD2 3.95Å; V83-M162 HydrophobicContact CB-SD 4.07Å |
| 84 | L | 85.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | -178.4 | -79.7 | 167.8 | 0 | 0 | 0 | 113.6 | K82 H88 L159 M162 L163 E166 V180 V184 | K82-L84 VanDerWaalsContact C-N 3.27Å; K82-L84 PolarHBondContact O-N 2.94Å; L84-H88 WeakPolarHBondContact O-CB 3.41Å; L84-H88 PolarHBondContact O-N 3.05Å; L84-L159 HydrophobicContact CD2-CD2 4Å; L84-M162 HydrophobicContact CD1-CB 3.53Å; L84-M162 HydrophobicContact CD1-CE 4.27Å; L84-M162 HydrophobicContact CG-CB 4.04Å; L84-M162 HydrophobicContact CG-CE 4.45Å; L84-M162 HydrophobicContact CG-SD 4.43Å; L84-L163 HydrophobicContact CD2-CD2 3.7Å; L84-L163 HydrophobicContact CD2-CG 3.81Å; L84-E166 HydrophobicContact CD1-CG 4.18Å; L84-V180 HydrophobicContact CB-CG1 4.24Å; L84-V184 HydrophobicContact CD2-CG1 4.2Å; L84-V184 HydrophobicContact CD2-CG2 4.09Å |
| 85 | V | 89 | Confident | 85.4 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | -177.8 | -180 | 0 | 0 | 0 | 0 | 110.3 | K82 V83 H88 R89 V180 | K82-V85 PolarHBondContact O-N 3.26Å; K82-V85 VanDerWaalsContact O-N 3.16Å; V83-V85 PolarHBondContact O-N 3.27Å; V85-H88 PolarHBondContact O-N 3.24Å; V85-R89 PolarHBondContact O-N 3.03Å; V85-V180 HydrophobicContact CG2-CG1 4.35Å; V85-V180 HydrophobicContact CG2-CG2 4.42Å |
| 86 | M | 87.9 | Confident | 85.4 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 178.2 | -69.1 | -66.1 | -75.1 | 0 | 0 | 111.3 | K82 R89 Y90 | K82-M86 HydrophobicContact CB-CG 4.46Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.29Å; M86-R89 PolarHBondContact O-N 3.35Å; M86-R89 PolarHBondContact SD-NH2 3.16Å; M86-R89 VanDerWaalsContact SD-NH2 3.41Å; M86-Y90 HydrophobicContact CB-CE2 4.44Å; M86-Y90 HydrophobicContact CE-CE2 3.86Å; M86-Y90 WeakPolarHBondContact CE-OH 3.48Å; M86-Y90 WeakPolarHBondContact O-CD2 3.41Å; M86-Y90 PolarHBondContact O-N 3.31Å |
| 87 | Y | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -48.7 | 173.2 | 175.1 | -86.5 | 0 | 0 | 0 | 111.3 | V83 R89 Y90 W91 W147 M151 I152 L155 L159 V184 S187 | V83-Y87 WeakPolarHBondContact O-CB 3.48Å; V83-Y87 PolarHBondContact O-N 2.92Å; Y87-R89 PolarHBondContact O-N 2.87Å; Y87-Y90 PolarHBondContact O-N 2.89Å; Y87-W91 HydrophobicContact CE1-CB 4.28Å; Y87-W91 VanDerWaalsContact O-CB 3.31Å; Y87-W91 WeakPolarHBondContact O-CB 3.33Å; Y87-W91 PolarHBondContact O-N 3.34Å; Y87-W147 HydrophobicContact CD2-CZ2 4.21Å; Y87-W147 AromaticContact CE2-CE2 3.97Å; Y87-W147 AromaticContact CE2-CZ2 3.77Å; Y87-W147 HydrophobicContact CE2-CZ2 3.77Å; Y87-W147 AromaticContact CE2-NE1 3.64Å; Y87-W147 AromaticContact CZ-NE1 3.56Å; Y87-W147 PolarHBondContact OH-NE1 3.1Å; Y87-M151 HydrophobicContact CD2-CE 4.2Å; Y87-M151 HydrophobicContact CE2-CB 4.33Å; Y87-I152 HydrophobicContact CE2-CG1 4.31Å; Y87-I152 WeakPolarHBondContact OH-CD1 3.21Å; Y87-I152 VanDerWaalsContact OH-CG1 3.24Å; Y87-I152 WeakPolarHBondContact OH-CG1 3.41Å; Y87-L155 HydrophobicContact CD2-CD1 4.4Å; Y87-L159 HydrophobicContact CD2-CD1 4.12Å; Y87-L159 HydrophobicContact CE2-CD1 4.1Å; Y87-L159 HydrophobicContact CG-CD1 4.46Å; Y87-L159 HydrophobicContact CG-CD2 4.29Å; Y87-V184 HydrophobicContact CD1-CG1 4.1Å; Y87-V184 HydrophobicContact CD1-CG2 3.99Å; Y87-V184 HydrophobicContact CE1-CG1 3.99Å; Y87-V184 HydrophobicContact CE1-CG2 4.44Å; Y87-S187 PolarHBondContact OH-OG 3.1Å |
| 88 | H | 90.9 | Very high | 85.8 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | -179.1 | 177.2 | 52.1 | 0 | 0 | 0 | 112.1 | L84 V85 W91 E92 V180 V184 | L84-H88 WeakPolarHBondContact O-CB 3.41Å; L84-H88 PolarHBondContact O-N 3.05Å; V85-H88 PolarHBondContact O-N 3.24Å; H88-W91 PolarHBondContact O-N 3.09Å; H88-E92 WeakPolarHBondContact O-CB 3.36Å; H88-E92 PolarHBondContact O-N 2.65Å; H88-V180 HydrophobicContact CB-CG1 3.98Å; H88-V184 HydrophobicContact CB-CG2 4Å |
| 89 | R | 89.9 | Confident | 85.9 | Confident | 109 Ų | 109 | 54.7 Ų | 54.7 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 176.8 | -178.3 | -178.5 | 65.6 | 172 | 0.2 | 111.2 | V85 M86 Y87 W91 E92 E93 | V85-R89 PolarHBondContact O-N 3.03Å; M86-R89 PolarHBondContact O-N 3.35Å; M86-R89 PolarHBondContact SD-NH2 3.16Å; M86-R89 VanDerWaalsContact SD-NH2 3.41Å; Y87-R89 PolarHBondContact O-N 2.87Å; R89-W91 VanDerWaalsContact C-N 3.29Å; R89-W91 PolarHBondContact O-N 3.28Å; R89-E92 PolarHBondContact O-N 2.98Å; R89-E93 WeakPolarHBondContact CG-OE1 3.41Å; R89-E93 WeakPolarHBondContact O-CG 3.41Å; R89-E93 PolarHBondContact O-N 3.03Å |
| 90 | Y | 91 | Very high | 86.7 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -32.9 | -179.4 | -65.5 | -40.5 | 0 | 0 | 0 | 112.6 | L72 K75 V76 M86 Y87 Y94 | L72-Y90 HydrophobicContact CD2-CD1 4.03Å; L72-Y90 HydrophobicContact CD2-CD2 4.46Å; L72-Y90 HydrophobicContact CD2-CE1 4.24Å; L72-Y90 HydrophobicContact CD2-CG 4.15Å; K75-Y90 HydrophobicContact CB-CE2 4.21Å; V76-Y90 HydrophobicContact CG2-CD2 3.52Å; V76-Y90 HydrophobicContact CG2-CE2 3.82Å; M86-Y90 HydrophobicContact CB-CE2 4.44Å; M86-Y90 HydrophobicContact CE-CE2 3.86Å; M86-Y90 WeakPolarHBondContact CE-OH 3.48Å; M86-Y90 WeakPolarHBondContact O-CD2 3.41Å; M86-Y90 PolarHBondContact O-N 3.31Å; Y87-Y90 PolarHBondContact O-N 2.89Å; Y90-Y94 WeakPolarHBondContact O-CB 3.45Å; Y90-Y94 PolarHBondContact O-N 2.95Å |
| 91 | W | 91.6 | Very high | 87.7 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 171.4 | 171.2 | -106.7 | 0 | 0 | 0 | 111.7 | Y87 H88 R89 E93 Y94 S95 L144 W147 S187 H190 V191 | Y87-W91 HydrophobicContact CE1-CB 4.28Å; Y87-W91 VanDerWaalsContact O-CB 3.31Å; Y87-W91 WeakPolarHBondContact O-CB 3.33Å; Y87-W91 PolarHBondContact O-N 3.34Å; H88-W91 PolarHBondContact O-N 3.09Å; R89-W91 VanDerWaalsContact C-N 3.29Å; R89-W91 PolarHBondContact O-N 3.28Å; W91-E93 VanDerWaalsContact C-N 3.32Å; W91-E93 PolarHBondContact O-N 3.14Å; W91-Y94 PolarHBondContact O-N 3.37Å; W91-S95 VanDerWaalsContact O-CB 3.25Å; W91-S95 WeakPolarHBondContact O-CB 3.46Å; W91-S95 PolarHBondContact O-N 3.36Å; W91-S95 PolarHBondContact O-OG 2.84Å; W91-L144 HydrophobicContact CH2-CD2 3.66Å; W91-L144 HydrophobicContact CZ3-CD2 4.23Å; W91-W147 HydrophobicContact CB-CZ2 3.88Å; W91-W147 AromaticContact CE3-CD1 3.48Å; W91-W147 VanDerWaalsContact CE3-CD1 3.48Å; W91-W147 AromaticContact CE3-CD2 3.79Å; W91-W147 HydrophobicContact CE3-CD2 3.79Å; W91-W147 AromaticContact CE3-CE2 3.44Å; W91-W147 VanDerWaalsContact CE3-CE2 3.44Å; W91-W147 AromaticContact CE3-CG 3.83Å; W91-W147 HydrophobicContact CE3-CG 3.83Å; W91-W147 HydrophobicContact CE3-CZ2 4.02Å; W91-W147 AromaticContact CE3-NE1 3.23Å; W91-W147 HydrophobicContact CZ3-CB 4.24Å; W91-W147 AromaticContact CZ3-CD1 3.36Å; W91-W147 HydrophobicContact CZ3-CD2 4.07Å; W91-W147 AromaticContact CZ3-CG 3.63Å; W91-W147 HydrophobicContact CZ3-CG 3.63Å; W91-W147 AromaticContact CZ3-NE1 3.67Å; W91-S187 VanDerWaalsContact CE2-CB 3.45Å; W91-S187 VanDerWaalsContact CE2-OG 3.22Å; W91-H190 HydrophobicContact CH2-CB 4.32Å; W91-H190 AromaticContact CH2-ND1 3.76Å; W91-H190 HydrophobicContact CZ2-CB 3.76Å; W91-H190 AromaticContact CZ2-CG 3.91Å; W91-H190 AromaticContact CZ2-ND1 3.59Å; W91-V191 HydrophobicContact CH2-CG2 3.34Å; W91-V191 HydrophobicContact CZ2-CG2 4.27Å; W91-V191 HydrophobicContact CZ3-CG2 3.59Å |
| 92 | E | 90.6 | Very high | 88.6 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 179.4 | -176.4 | 174.7 | -173.2 | 0 | 0 | 112.1 | H88 R89 K96 K179 | H88-E92 WeakPolarHBondContact O-CB 3.36Å; H88-E92 PolarHBondContact O-N 2.65Å; R89-E92 PolarHBondContact O-N 2.98Å; E92-K96 WeakPolarHBondContact O-CD 3.49Å; E92-K96 WeakPolarHBondContact O-CG 3.42Å; E92-K96 IonicContact OE1-NZ 2.66Å; E92-K96 PolarHBondContact OE1-NZ 3Å; E92-K179 IonicContact OE2-NZ 2.78Å |
| 93 | E | 90.3 | Very high | 88.9 | Confident | 65 Ų | 65 | 39.3 Ų | 39.3 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.5 | -51.7 | 174.9 | -70.6 | 167.8 | -172.3 | 0 | 0 | 111.1 | L27 R89 W91 S95 K96 G97 | L27-E93 HydrophobicContact CD1-CB 4.23Å; L27-E93 HydrophobicContact CD1-CG 4.17Å; R89-E93 WeakPolarHBondContact CG-OE1 3.41Å; R89-E93 WeakPolarHBondContact O-CG 3.41Å; R89-E93 PolarHBondContact O-N 3.03Å; W91-E93 VanDerWaalsContact C-N 3.32Å; W91-E93 PolarHBondContact O-N 3.14Å; E93-S95 PolarHBondContact O-N 3.42Å; E93-K96 PolarHBondContact O-N 3.13Å; E93-G97 PolarHBondContact O-N 3.19Å |
| 94 | Y | 90.7 | Very high | 89 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -175.9 | -177.9 | -94.2 | 0 | 0 | 0 | 112.9 | V25 L65 V69 L72 Y90 W91 G97 A98 A143 W147 | V25-Y94 HydrophobicContact CG1-CD2 3.94Å; V25-Y94 HydrophobicContact CG1-CE2 4.33Å; L65-Y94 HydrophobicContact CD2-CE2 4.32Å; V69-Y94 HydrophobicContact CG2-CD2 4.49Å; V69-Y94 HydrophobicContact CG2-CE2 3.62Å; V69-Y94 WeakPolarHBondContact CG2-OH 3.2Å; L72-Y94 HydrophobicContact CD1-CD2 4.44Å; Y90-Y94 WeakPolarHBondContact O-CB 3.45Å; Y90-Y94 PolarHBondContact O-N 2.95Å; W91-Y94 PolarHBondContact O-N 3.37Å; Y94-G97 PolarHBondContact O-N 3.47Å; Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.44Å; Y94-A98 PolarHBondContact O-N 3.12Å; Y94-A143 HydrophobicContact CE1-CB 4.33Å; Y94-A143 WeakPolarHBondContact CE1-O 3.12Å; Y94-A143 WeakPolarHBondContact OH-CA 3.34Å; Y94-A143 PolarHBondContact OH-O 3.07Å; Y94-W147 HydrophobicContact CD1-CB 4.41Å; Y94-W147 AromaticContact CD1-CD2 3.93Å; Y94-W147 HydrophobicContact CD1-CD2 3.93Å; Y94-W147 AromaticContact CD1-CE3 3.3Å; Y94-W147 HydrophobicContact CD1-CE3 3.3Å; Y94-W147 HydrophobicContact CD1-CG 4.4Å; Y94-W147 AromaticContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD2-CE3 4.05Å; Y94-W147 HydrophobicContact CD2-CZ3 4.04Å; Y94-W147 HydrophobicContact CE1-CB 3.87Å; Y94-W147 HydrophobicContact CE1-CD2 4.19Å; Y94-W147 AromaticContact CE1-CE3 3.62Å; Y94-W147 HydrophobicContact CE1-CE3 3.62Å; Y94-W147 HydrophobicContact CE1-CG 4.32Å; Y94-W147 HydrophobicContact CE1-CZ3 4.48Å; Y94-W147 HydrophobicContact CE2-CE3 4.31Å; Y94-W147 AromaticContact CG-CE3 3.53Å; Y94-W147 HydrophobicContact CG-CE3 3.53Å; Y94-W147 AromaticContact CG-CZ3 3.56Å; Y94-W147 HydrophobicContact CG-CZ3 3.56Å |
| 95 | S | 89.5 | Confident | 89.1 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | -179.5 | 73.6 | 0 | 0 | 0 | 0 | 111.4 | W91 E93 A98 D99 | W91-S95 VanDerWaalsContact O-CB 3.25Å; W91-S95 WeakPolarHBondContact O-CB 3.46Å; W91-S95 PolarHBondContact O-N 3.36Å; W91-S95 PolarHBondContact O-OG 2.84Å; E93-S95 PolarHBondContact O-N 3.42Å; S95-A98 PolarHBondContact O-N 3.11Å; S95-D99 PolarHBondContact O-N 3.32Å |
| 96 | K | 88.7 | Confident | 89 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 174.9 | -67.7 | 174.2 | -168.6 | 165.9 | 0 | 111.1 | L27 E92 E93 A98 D99 Y100 | L27-K96 HydrophobicContact CD1-CB 4.26Å; L27-K96 HydrophobicContact CD1-CD 4.14Å; L27-K96 HydrophobicContact CD2-CB 3.99Å; E92-K96 WeakPolarHBondContact O-CD 3.49Å; E92-K96 WeakPolarHBondContact O-CG 3.42Å; E92-K96 IonicContact OE1-NZ 2.66Å; E92-K96 PolarHBondContact OE1-NZ 3Å; E93-K96 PolarHBondContact O-N 3.13Å; K96-A98 VanDerWaalsContact C-N 3.32Å; K96-A98 PolarHBondContact O-N 3.39Å; K96-D99 PolarHBondContact O-N 3.31Å; K96-Y100 HydrophobicContact CB-CE2 4.47Å; K96-Y100 WeakPolarHBondContact O-CD2 3.17Å; K96-Y100 PolarHBondContact O-N 2.59Å |
| 97 | G | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V24 E93 Y94 Y100 M101 | V24-G97 WeakPolarHBondContact O-CA 3.45Å; E93-G97 PolarHBondContact O-N 3.19Å; Y94-G97 PolarHBondContact O-N 3.47Å; G97-Y100 PolarHBondContact O-N 3.34Å; G97-M101 WeakPolarHBondContact O-CB 3.39Å; G97-M101 VanDerWaalsContact O-CG 3.31Å; G97-M101 WeakPolarHBondContact O-CG 3.31Å; G97-M101 PolarHBondContact O-N 3.33Å |
| 98 | A | 88.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y94 S95 K96 M101 D102 A143 | Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.44Å; Y94-A98 PolarHBondContact O-N 3.12Å; S95-A98 PolarHBondContact O-N 3.11Å; K96-A98 VanDerWaalsContact C-N 3.32Å; K96-A98 PolarHBondContact O-N 3.39Å; A98-M101 WeakPolarHBondContact O-CB 3.2Å; A98-M101 PolarHBondContact O-N 2.93Å; A98-D102 WeakPolarHBondContact O-CB 3.48Å; A98-D102 PolarHBondContact O-N 3.35Å; A98-A143 HydrophobicContact CB-CB 3.67Å |
| 99 | D | 87.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.4 | -73.9 | -18.9 | 0 | 0 | 0 | 111.9 | S95 K96 D102 C103 | S95-D99 PolarHBondContact O-N 3.32Å; K96-D99 PolarHBondContact O-N 3.31Å; D99-D102 PolarHBondContact O-N 3.38Å; D99-C103 PolarHBondContact O-N 2.98Å; D99-C103 PolarHBondContact O-SG 3.32Å |
| 100 | Y | 88.9 | Confident | 87.7 | Confident | 124 Ų | 124 | 39.7 Ų | 39.7 | 49% | 0.486 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 174.5 | -67.7 | -41.1 | 0 | 0 | 0 | 112.1 | V24 L27 W35 K96 G97 D102 C103 L104 | V24-Y100 HydrophobicContact CG1-CD2 4.46Å; V24-Y100 HydrophobicContact CG1-CG 4.46Å; L27-Y100 HydrophobicContact CD2-CD2 4.02Å; L27-Y100 HydrophobicContact CD2-CE2 3.85Å; W35-Y100 WeakPolarHBondContact CH2-O 3.38Å; K96-Y100 HydrophobicContact CB-CE2 4.47Å; K96-Y100 WeakPolarHBondContact O-CD2 3.17Å; K96-Y100 PolarHBondContact O-N 2.59Å; G97-Y100 PolarHBondContact O-N 3.34Å; Y100-D102 VanDerWaalsContact C-N 3.35Å; Y100-C103 WeakPolarHBondContact O-CB 3.28Å; Y100-C103 PolarHBondContact O-N 2.95Å; Y100-L104 WeakPolarHBondContact O-CB 3.35Å; Y100-L104 PolarHBondContact O-N 3.14Å |
| 101 | M | 86.8 | Confident | 87 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 171.8 | -75.8 | -179.6 | 66.3 | 0 | 0 | 111.5 | I21 V24 V25 T61 L65 G97 A98 C103 L104 Y105 I139 | I21-M101 HydrophobicContact CG2-CE 3.63Å; I21-M101 HydrophobicContact CG2-CG 4.42Å; I21-M101 HydrophobicContact CG2-SD 3.84Å; V24-M101 HydrophobicContact CG1-CG 4.25Å; V25-M101 HydrophobicContact CG2-CG 4.18Å; V25-M101 HydrophobicContact CG2-SD 3.17Å; V25-M101 WeakPolarHBondContact CG2-SD 3.21Å; T61-M101 HydrophobicContact CG2-CE 3.88Å; L65-M101 HydrophobicContact CD1-CE 4.32Å; L65-M101 HydrophobicContact CD2-CE 3.87Å; L65-M101 HydrophobicContact CD2-SD 4.01Å; L65-M101 HydrophobicContact CG-CE 4.22Å; G97-M101 WeakPolarHBondContact O-CB 3.39Å; G97-M101 VanDerWaalsContact O-CG 3.31Å; G97-M101 WeakPolarHBondContact O-CG 3.31Å; G97-M101 PolarHBondContact O-N 3.33Å; A98-M101 WeakPolarHBondContact O-CB 3.2Å; A98-M101 PolarHBondContact O-N 2.93Å; M101-C103 VanDerWaalsContact C-N 3.28Å; M101-C103 PolarHBondContact O-N 2.85Å; M101-L104 WeakPolarHBondContact O-CB 3.29Å; M101-L104 PolarHBondContact O-N 3.43Å; M101-L104 VanDerWaalsContact O-N 3.11Å; M101-Y105 HydrophobicContact CE-CE2 4.28Å; M101-Y105 WeakPolarHBondContact O-CB 3.23Å; M101-Y105 VanDerWaalsContact O-CD2 3.28Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 2.93Å; M101-I139 HydrophobicContact CB-CG2 4.3Å; M101-I139 HydrophobicContact CE-CG2 4.11Å |
| 102 | D | 87.2 | Confident | 86 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 178 | -168.5 | 67.2 | 0 | 0 | 0 | 112.2 | A98 D99 Y100 R106 N109 G140 | A98-D102 WeakPolarHBondContact O-CB 3.48Å; A98-D102 PolarHBondContact O-N 3.35Å; D99-D102 PolarHBondContact O-N 3.38Å; Y100-D102 VanDerWaalsContact C-N 3.35Å; D102-R106 PolarHBondContact O-N 2.84Å; D102-N109 PolarHBondContact OD1-ND2 3.1Å; D102-G140 PolarHBondContact OD1-N 3.32Å |
| 103 | C | 86.8 | Confident | 85.1 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 38% | 0.378 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 171.1 | -67 | 0 | 0 | 0 | 0 | 111.9 | F39 D99 Y100 M101 Y105 R106 | F39-C103 WeakPolarHBondContact CE1-O 3.31Å; D99-C103 PolarHBondContact O-N 2.98Å; D99-C103 PolarHBondContact O-SG 3.32Å; Y100-C103 WeakPolarHBondContact O-CB 3.28Å; Y100-C103 PolarHBondContact O-N 2.95Å; M101-C103 VanDerWaalsContact C-N 3.28Å; M101-C103 PolarHBondContact O-N 2.85Å; C103-Y105 VanDerWaalsContact C-N 3.33Å; C103-Y105 PolarHBondContact O-N 3.44Å; C103-R106 VanDerWaalsContact O-CB 3.27Å; C103-R106 WeakPolarHBondContact O-CB 3.38Å; C103-R106 PolarHBondContact O-N 2.92Å |
| 104 | L | 87.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 179.2 | -178 | 60.7 | 0 | 0 | 0 | 111.7 | L17 W35 R38 F39 I42 Y100 M101 R106 | L17-L104 HydrophobicContact CD1-CD2 4.31Å; W35-L104 HydrophobicContact CE3-CD1 4.47Å; W35-L104 HydrophobicContact CH2-CB 3.72Å; W35-L104 HydrophobicContact CH2-CD1 4.32Å; W35-L104 HydrophobicContact CH2-CD2 4.33Å; W35-L104 HydrophobicContact CH2-CG 4.32Å; W35-L104 HydrophobicContact CZ2-CB 4.11Å; W35-L104 HydrophobicContact CZ2-CD1 4.42Å; W35-L104 HydrophobicContact CZ3-CB 4.28Å; W35-L104 HydrophobicContact CZ3-CD1 4.31Å; W35-L104 HydrophobicContact CZ3-CD2 4.05Å; W35-L104 HydrophobicContact CZ3-CG 4.43Å; R38-L104 HydrophobicContact CB-CD1 3.68Å; R38-L104 HydrophobicContact CB-CD2 4.43Å; F39-L104 HydrophobicContact CD1-CD1 4.16Å; F39-L104 HydrophobicContact CD2-CD1 4.37Å; F39-L104 HydrophobicContact CE1-CD1 4.13Å; F39-L104 WeakPolarHBondContact CE1-O 3.47Å; F39-L104 HydrophobicContact CE2-CD1 4.34Å; F39-L104 HydrophobicContact CG-CD1 4.29Å; F39-L104 HydrophobicContact CZ-CD1 4.21Å; I42-L104 HydrophobicContact CD1-CD1 3.95Å; I42-L104 HydrophobicContact CD1-CD2 4.27Å; I42-L104 HydrophobicContact CD1-CG 3.6Å; I42-L104 WeakPolarHBondContact CD1-O 3.29Å; Y100-L104 WeakPolarHBondContact O-CB 3.35Å; Y100-L104 PolarHBondContact O-N 3.14Å; M101-L104 WeakPolarHBondContact O-CB 3.29Å; M101-L104 PolarHBondContact O-N 3.43Å; M101-L104 VanDerWaalsContact O-N 3.11Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.41Å |
| 105 | Y | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 11.3 | -179.4 | -78.6 | -76 | 0 | 0 | 0 | 114.2 | I21 I42 L57 T61 M101 C103 Y107 L108 N109 I139 | I21-Y105 HydrophobicContact CD1-CE2 4.14Å; I21-Y105 WeakPolarHBondContact CD1-OH 3.46Å; I21-Y105 HydrophobicContact CG1-CE2 4.37Å; I42-Y105 HydrophobicContact CD1-CD1 3.95Å; I42-Y105 HydrophobicContact CD1-CE1 3.99Å; I42-Y105 HydrophobicContact CD1-CG 4.36Å; I42-Y105 HydrophobicContact CG1-CE1 4.32Å; L57-Y105 HydrophobicContact CD1-CE1 4.25Å; L57-Y105 HydrophobicContact CD2-CE1 4.04Å; L57-Y105 HydrophobicContact CG-CE1 4.07Å; T61-Y105 HydrophobicContact CG2-CE2 4.19Å; T61-Y105 PolarHBondContact OG1-OH 2.93Å; T61-Y105 VanDerWaalsContact OG1-OH 3.06Å; M101-Y105 HydrophobicContact CE-CE2 4.28Å; M101-Y105 WeakPolarHBondContact O-CB 3.23Å; M101-Y105 VanDerWaalsContact O-CD2 3.28Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 2.93Å; C103-Y105 VanDerWaalsContact C-N 3.33Å; C103-Y105 PolarHBondContact O-N 3.44Å; Y105-Y107 PolarHBondContact O-N 2.9Å; Y105-Y107 VanDerWaalsContact O-N 3.07Å; Y105-L108 HydrophobicContact CD1-CB 3.99Å; Y105-L108 HydrophobicContact CD1-CD2 3.49Å; Y105-L108 VanDerWaalsContact CD1-CD2 3.49Å; Y105-L108 HydrophobicContact CD1-CG 4.38Å; Y105-L108 HydrophobicContact CE1-CD2 3.9Å; Y105-L108 HydrophobicContact CG-CD2 4.46Å; Y105-L108 WeakPolarHBondContact O-CA 3.49Å; Y105-L108 WeakPolarHBondContact O-CB 3.37Å; Y105-L108 PolarHBondContact O-N 3.34Å; Y105-N109 PolarHBondContact O-N 3.47Å; Y105-I139 HydrophobicContact CD1-CG1 4.36Å; Y105-I139 HydrophobicContact CD2-CB 4.44Å; Y105-I139 HydrophobicContact CD2-CG1 4.26Å; Y105-I139 HydrophobicContact CD2-CG2 3.92Å; Y105-I139 HydrophobicContact CG-CB 4.4Å; Y105-I139 HydrophobicContact CG-CG1 3.9Å; Y105-I139 HydrophobicContact CG-CG2 4.37Å |
| 106 | R | 86.4 | Confident | 81.6 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 51% | 0.506 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.5 | -37.8 | -177.1 | -175.1 | 59.4 | 60.6 | 98.9 | -0.8 | 113.9 | D102 C103 L104 T110 | D102-R106 PolarHBondContact O-N 2.84Å; C103-R106 VanDerWaalsContact O-CB 3.27Å; C103-R106 WeakPolarHBondContact O-CB 3.38Å; C103-R106 PolarHBondContact O-N 2.92Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.41Å; R106-T110 WeakPolarHBondContact O-CB 3.38Å; R106-T110 PolarHBondContact O-N 3.49Å; R106-T110 PolarHBondContact O-OG1 3.25Å |
| 107 | Y | 84.4 | Confident | 80.3 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 30% | 0.302 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68 | -44.7 | 177.1 | -170.4 | -100.1 | 0 | 0 | 0 | 111.8 | Y43 C46 V47 Y105 T110 Q111 | Y43-Y107 HydrophobicContact CD2-CD1 4.17Å; Y43-Y107 HydrophobicContact CD2-CD2 4.21Å; Y43-Y107 AromaticContact CD2-CE1 3.63Å; Y43-Y107 HydrophobicContact CD2-CE1 3.63Å; Y43-Y107 AromaticContact CD2-CE2 3.68Å; Y43-Y107 HydrophobicContact CD2-CE2 3.68Å; Y43-Y107 HydrophobicContact CD2-CG 4.45Å; Y43-Y107 AromaticContact CD2-CZ 3.37Å; Y43-Y107 HydrophobicContact CE2-CE1 4.21Å; Y43-Y107 AromaticContact CE2-CE2 3.93Å; Y43-Y107 HydrophobicContact CE2-CE2 3.93Å; Y43-Y107 AromaticContact CE2-CZ 3.57Å; Y43-Y107 WeakPolarHBondContact CE2-OH 3.4Å; Y43-Y107 HydrophobicContact CG-CE1 4.45Å; C46-Y107 HydrophobicContact CB-CD1 3.88Å; C46-Y107 HydrophobicContact CB-CE1 3.62Å; V47-Y107 HydrophobicContact CG2-CE1 4.2Å; Y105-Y107 PolarHBondContact O-N 2.9Å; Y105-Y107 VanDerWaalsContact O-N 3.07Å; Y107-T110 PolarHBondContact O-N 2.87Å; Y107-Q111 HydrophobicContact CD2-CG 4.17Å; Y107-Q111 HydrophobicContact CE1-CB 4.42Å; Y107-Q111 HydrophobicContact CE1-CG 4.18Å; Y107-Q111 HydrophobicContact CE2-CG 3.76Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-N 3.08Å |
| 108 | L | 83.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.6 | -176.1 | 70.6 | 0 | 0 | 0 | 111.2 | I42 C46 L57 Y105 T110 F112 I113 I139 | I42-L108 HydrophobicContact CG2-CB 4.34Å; C46-L108 VanDerWaalsContact SG-CD1 3.54Å; L57-L108 HydrophobicContact CD2-CD1 4.41Å; L57-L108 HydrophobicContact CD2-CD2 4.24Å; L57-L108 HydrophobicContact CG-CD2 4.33Å; Y105-L108 HydrophobicContact CD1-CB 3.99Å; Y105-L108 HydrophobicContact CD1-CD2 3.49Å; Y105-L108 VanDerWaalsContact CD1-CD2 3.49Å; Y105-L108 HydrophobicContact CD1-CG 4.38Å; Y105-L108 HydrophobicContact CE1-CD2 3.9Å; Y105-L108 HydrophobicContact CG-CD2 4.46Å; Y105-L108 WeakPolarHBondContact O-CA 3.49Å; Y105-L108 WeakPolarHBondContact O-CB 3.37Å; Y105-L108 PolarHBondContact O-N 3.34Å; L108-T110 VanDerWaalsContact C-N 3.28Å; L108-T110 PolarHBondContact O-N 3.1Å; L108-F112 HydrophobicContact CD1-CB 3.71Å; L108-F112 HydrophobicContact CD1-CD1 4.01Å; L108-F112 HydrophobicContact CD1-CG 4.03Å; L108-F112 HydrophobicContact CG-CB 4.44Å; L108-F112 WeakPolarHBondContact O-CB 3.19Å; L108-F112 PolarHBondContact O-N 3.42Å; L108-I113 HydrophobicContact CG-CD1 4.35Å; L108-I113 PolarHBondContact O-N 3.09Å; L108-I113 VanDerWaalsContact O-N 3.07Å; L108-I139 HydrophobicContact CD2-CG1 4.46Å |
| 109 | N | 83.3 | Confident | 77.2 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -55.4 | -43.5 | 175.9 | -72.8 | -13.2 | 0 | 0 | 0 | 111.6 | D102 Y105 I113 K114 E138 I139 | D102-N109 PolarHBondContact OD1-ND2 3.1Å; Y105-N109 PolarHBondContact O-N 3.47Å; N109-I113 VanDerWaalsContact OD1-CD1 3.26Å; N109-I113 WeakPolarHBondContact OD1-CD1 3.4Å; N109-K114 WeakPolarHBondContact O-CG 3.22Å; N109-K114 PolarHBondContact O-N 3.22Å; N109-E138 HydrophobicContact CB-CG 4.5Å; N109-I139 PolarHBondContact OD1-N 3.21Å; N109-I139 VanDerWaalsContact OD1-N 3.16Å |
| 110 | T | 81.3 | Confident | 75.3 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -81.3 | -39.8 | -174.5 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | R106 Y107 L108 | R106-T110 WeakPolarHBondContact O-CB 3.38Å; R106-T110 PolarHBondContact O-N 3.49Å; R106-T110 PolarHBondContact O-OG1 3.25Å; Y107-T110 PolarHBondContact O-N 2.87Å; L108-T110 VanDerWaalsContact C-N 3.28Å; L108-T110 PolarHBondContact O-N 3.1Å |
| 111 | Q | 75.6 | Confident | 73.4 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -97.4 | -28.9 | -170.5 | -66.4 | -61 | -32.5 | 0 | 0 | 114 | Y107 K115 | Y107-Q111 HydrophobicContact CD2-CG 4.17Å; Y107-Q111 HydrophobicContact CE1-CB 4.42Å; Y107-Q111 HydrophobicContact CE1-CG 4.18Å; Y107-Q111 HydrophobicContact CE2-CG 3.76Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-N 3.08Å; Q111-K115 WeakPolarHBondContact O-CD 3.4Å; Q111-K115 WeakPolarHBondContact O-CG 3.23Å |
| 112 | F | 71.3 | Confident | 71.8 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -105.1 | -58.1 | -179.3 | -178.1 | -102.1 | 0 | 0 | 0 | 110.4 | E55 L108 K115 N116 L136 | E55-F112 HydrophobicContact CB-CE1 4.4Å; E55-F112 HydrophobicContact CB-CE2 4.1Å; E55-F112 HydrophobicContact CB-CZ 3.54Å; E55-F112 HydrophobicContact CG-CZ 4.13Å; L108-F112 HydrophobicContact CD1-CB 3.71Å; L108-F112 HydrophobicContact CD1-CD1 4.01Å; L108-F112 HydrophobicContact CD1-CG 4.03Å; L108-F112 HydrophobicContact CG-CB 4.44Å; L108-F112 WeakPolarHBondContact O-CB 3.19Å; L108-F112 PolarHBondContact O-N 3.42Å; F112-K115 PolarHBondContact O-N 3.12Å; F112-N116 WeakPolarHBondContact CE2-ND2 3.33Å; F112-N116 WeakPolarHBondContact O-CB 3.5Å; F112-N116 PolarHBondContact O-N 3.04Å; F112-L136 HydrophobicContact CE1-CD1 4.48Å |
| 113 | I | 71.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -67 | -49.9 | -173.2 | -62.9 | 166.5 | 0 | 0 | 0 | 110.7 | Y58 L108 N109 K115 N116 K117 L136 E138 I139 | Y58-I113 HydrophobicContact CD2-CD1 3.78Å; Y58-I113 HydrophobicContact CD2-CG1 4.26Å; Y58-I113 HydrophobicContact CE2-CD1 3.67Å; Y58-I113 HydrophobicContact CE2-CG1 4.26Å; L108-I113 HydrophobicContact CG-CD1 4.35Å; L108-I113 PolarHBondContact O-N 3.09Å; L108-I113 VanDerWaalsContact O-N 3.07Å; N109-I113 VanDerWaalsContact OD1-CD1 3.26Å; N109-I113 WeakPolarHBondContact OD1-CD1 3.4Å; I113-K115 VanDerWaalsContact C-N 3.25Å; I113-K115 PolarHBondContact O-N 3.44Å; I113-N116 PolarHBondContact O-N 3.15Å; I113-K117 WeakPolarHBondContact O-CA 3.47Å; I113-K117 WeakPolarHBondContact O-CB 3.29Å; I113-K117 PolarHBondContact O-N 3.31Å; I113-L136 HydrophobicContact CG2-CB 4.43Å; I113-E138 HydrophobicContact CG2-CG 4.27Å; I113-I139 HydrophobicContact CD1-CG1 4.31Å |
| 114 | K | 69.6 | Low | 68.4 | Low | 118 Ų | 118 | 71.7 Ų | 71.7 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -21.7 | 178.3 | -75.8 | -180 | -171.2 | 177.1 | 0 | 115.3 | N109 E138 | N109-K114 WeakPolarHBondContact O-CG 3.22Å; N109-K114 PolarHBondContact O-N 3.22Å; K114-E138 WeakPolarHBondContact CE-OE1 3.49Å; K114-E138 IonicContact NZ-OE1 3.01Å |
| 115 | K | 65.7 | Low | 66.8 | Low | 143 Ų | 143 | 80.3 Ų | 80.3 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -85.5 | -30.2 | 176.1 | -69.1 | -168.1 | -169.6 | 160.5 | 0 | 112.7 | Q111 F112 I113 | Q111-K115 WeakPolarHBondContact O-CD 3.4Å; Q111-K115 WeakPolarHBondContact O-CG 3.23Å; F112-K115 PolarHBondContact O-N 3.12Å; I113-K115 VanDerWaalsContact C-N 3.25Å; I113-K115 PolarHBondContact O-N 3.44Å |
| 116 | N | 61.8 | Low | 65 | Low | 84 Ų | 84 | 83.4 Ų | 83.4 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -103.2 | -7.9 | -177.6 | -64.8 | -7.9 | 0 | 0 | 0 | 113.4 | F112 I113 L118 L136 | F112-N116 WeakPolarHBondContact CE2-ND2 3.33Å; F112-N116 WeakPolarHBondContact O-CB 3.5Å; F112-N116 PolarHBondContact O-N 3.04Å; I113-N116 PolarHBondContact O-N 3.15Å; N116-L118 PolarHBondContact O-N 3.4Å; N116-L136 HydrophobicContact CB-CD1 3.53Å |
| 117 | K | 62.5 | Low | 63.1 | Low | 75 Ų | 75 | 86.5 Ų | 86.5 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -69.5 | 113.6 | 171.6 | -169.8 | 170.4 | -163.3 | 169.4 | 0 | 107.4 | I113 T119 E141 | I113-K117 WeakPolarHBondContact O-CA 3.47Å; I113-K117 WeakPolarHBondContact O-CB 3.29Å; I113-K117 PolarHBondContact O-N 3.31Å; K117-T119 PolarHBondContact O-N 3.43Å; K117-E141 IonicContact NZ-OE1 2.69Å; K117-E141 IonicContact NZ-OE2 2.72Å; K117-E141 PolarHBondContact NZ-OE2 3.01Å |
| 118 | L | 55.3 | Low | 61.3 | Low | 75 Ų | 75 | 84.6 Ų | 84.6 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | trans | -52.8 | 133.6 | 167.9 | -100.1 | 75.7 | 0 | 0 | 0 | 108.6 | N116 D122 L123 | N116-L118 PolarHBondContact O-N 3.4Å; L118-D122 HydrophobicContact CB-CB 4.2Å; L118-D122 HydrophobicContact CD2-CB 3.96Å; L118-D122 HydrophobicContact CG-CB 3.89Å; L118-L123 HydrophobicContact CB-CD1 3.8Å; L118-L123 HydrophobicContact CD2-CD1 3.84Å; L118-L123 HydrophobicContact CD2-CG 4.45Å; L118-L123 HydrophobicContact CG-CD1 4.49Å | ||
| 119 | T | 55.1 | Low | 59.3 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | trans | -70.7 | 156.3 | 172.2 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | K117 A121 D122 L123 | K117-T119 PolarHBondContact O-N 3.43Å; T119-A121 PolarHBondContact O-N 2.92Å; T119-A121 VanDerWaalsContact O-N 3.09Å; T119-D122 PolarHBondContact N-OD2 2.99Å; T119-D122 PolarHBondContact O-N 2.71Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; T119-L123 PolarHBondContact O-N 3Å | ||
| 120 | E | 49.5 | Very low | 57.4 | Low | 155 Ų | 155 | 94.4 Ų | 94.4 | 72% | 0.724 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -53.8 | -29.1 | 173.6 | -93.7 | -176.3 | 143.2 | 0 | 0 | 111.9 | Q124 | E120-Q124 VanDerWaalsContact O-CB 3.29Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 2.95Å |
| 121 | A | 47.6 | Very low | 55.4 | Low | 49 Ų | 49 | 99 Ų | 99 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T119 L123 Q124 Y125 | T119-A121 PolarHBondContact O-N 2.92Å; T119-A121 VanDerWaalsContact O-N 3.09Å; A121-L123 PolarHBondContact O-N 3.45Å; A121-Q124 PolarHBondContact O-N 2.99Å; A121-Y125 VanDerWaalsContact O-CD2 3.26Å; A121-Y125 WeakPolarHBondContact O-CD2 3.28Å; A121-Y125 PolarHBondContact O-N 3.23Å |
| 122 | D | 54.7 | Low | 53.9 | Low | 63 Ų | 63 | 101.9 Ų | 101.9 | 34% | 0.337 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | -179.5 | -59.8 | -42.8 | 0 | 0 | 0 | 112.3 | L118 T119 G126 Y127 | L118-D122 HydrophobicContact CB-CB 4.2Å; L118-D122 HydrophobicContact CD2-CB 3.96Å; L118-D122 HydrophobicContact CG-CB 3.89Å; T119-D122 PolarHBondContact N-OD2 2.99Å; T119-D122 PolarHBondContact O-N 2.71Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; D122-G126 PolarHBondContact O-N 2.63Å; D122-Y127 PolarHBondContact O-N 3.19Å |
| 123 | L | 54.8 | Low | 52.6 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.8 | -32.2 | 174.3 | -113.2 | 106.5 | 0 | 0 | 0 | 112.6 | L118 T119 A121 | L118-L123 HydrophobicContact CB-CD1 3.8Å; L118-L123 HydrophobicContact CD2-CD1 3.84Å; L118-L123 HydrophobicContact CD2-CG 4.45Å; L118-L123 HydrophobicContact CG-CD1 4.49Å; T119-L123 PolarHBondContact O-N 3Å; A121-L123 PolarHBondContact O-N 3.45Å |
| 124 | Q | 47.6 | Very low | 51.9 | Low | 163 Ų | 163 | 113.7 Ų | 113.7 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -84.9 | -25.6 | -175.3 | -158 | 167.3 | 6.4 | 0 | 0 | 113 | E120 A121 | E120-Q124 VanDerWaalsContact O-CB 3.29Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 2.95Å; A121-Q124 PolarHBondContact O-N 2.99Å |
| 125 | Y | 53 | Low | 51.6 | Low | 183 Ų | 183 | 112.5 Ų | 112.5 | 72% | 0.718 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 5.8 | 176.2 | -71.6 | -74.5 | 0 | 0 | 0 | 114.3 | A121 Y127 | A121-Y125 VanDerWaalsContact O-CD2 3.26Å; A121-Y125 WeakPolarHBondContact O-CD2 3.28Å; A121-Y125 PolarHBondContact O-N 3.23Å; Y125-Y127 VanDerWaalsContact C-N 3.34Å; Y125-Y127 PolarHBondContact O-N 3.42Å |
| 126 | G | 50.7 | Low | 51.9 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70 | 24.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D122 G128 | D122-G126 PolarHBondContact O-N 2.63Å; G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 3.43Å |
| 127 | Y | 47.1 | Very low | 52.7 | Low | 199 Ų | 199 | 105 Ų | 105 | 78% | 0.78 | 57% | 0.573 | S | S | * | * | trans | -87.8 | 14.1 | 177.3 | -84.2 | -83.5 | 0 | 0 | 0 | 113.4 | D122 Y125 | D122-Y127 PolarHBondContact O-N 3.19Å; Y125-Y127 VanDerWaalsContact C-N 3.34Å; Y125-Y127 PolarHBondContact O-N 3.42Å | ||
| 128 | G | 45.6 | Very low | 53.7 | Low | 37 Ų | 37 | 103.4 Ų | 103.4 | 38% | 0.381 | 57% | 0.566 | S | S | . | * | trans | -81.5 | 116.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G126 | G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 3.43Å | ||
| 129 | G | 42.2 | Very low | 55.1 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | trans | -56.3 | 153.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D131 | G129-D131 PolarHBondContact O-N 3.37Š| ||
| 130 | V | 42.8 | Very low | 56.5 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 86% | 0.861 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2.7 | -165.5 | 180 | 0 | 0 | 0 | 0 | 115.1 | ||
| 131 | D | 40.2 | Very low | 58.2 | Low | 152 Ų | 152 | 90.8 Ų | 90.8 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 6.9 | -167.5 | -80.3 | -38.9 | 0 | 0 | 0 | 117.3 | G129 | G129-D131 PolarHBondContact O-N 3.37Š|
| 132 | M | 42.3 | Very low | 60 | Low | 137 Ų | 137 | 88.5 Ų | 88.5 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | trans | -116.5 | 83.1 | 178.8 | -70.5 | -69.9 | 171.9 | 0 | 0 | 112.1 | E134 | M132-E134 PolarHBondContact O-N 2.93Š| ||
| 133 | N | 45.3 | Very low | 61.5 | Low | 167 Ų | 167 | 85.6 Ų | 85.6 | 89% | 0.893 | 47% | 0.468 | S | S | * | . | trans | -70.7 | -6.8 | -179.1 | -93.7 | -22.3 | 0 | 0 | 0 | 115.1 | ||||
| 134 | E | 55.8 | Low | 63.1 | Low | 111 Ų | 111 | 80.4 Ų | 80.4 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -137.7 | 129.9 | 175 | -72.6 | -173.2 | 163.5 | 0 | 0 | 111.9 | K62 M132 L136 | K62-E134 IonicContact NZ-OE1 2.7Å; K62-E134 IonicContact NZ-OE2 3.28Å; K62-E134 PolarHBondContact NZ-OE2 3.42Å; M132-E134 PolarHBondContact O-N 2.93Å; E134-L136 PolarHBondContact O-N 3.31Å |
| 135 | P | 64.6 | Low | 65 | Low | 94 Ų | 94 | 73 Ų | 73 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 134 | 177.7 | 28 | -33.5 | 0 | 0 | 0 | 110.7 | M137 | P135-M137 PolarHBondContact O-N 2.83Š|
| 136 | L | 71.8 | Confident | 66.7 | Low | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.199 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64 | 119.1 | 172.7 | -71.3 | 169.9 | 0 | 0 | 0 | 110.3 | Y58 F112 I113 N116 E134 | Y58-L136 HydrophobicContact CD1-CD2 3.84Å; Y58-L136 HydrophobicContact CE1-CD2 3.61Å; Y58-L136 HydrophobicContact CG-CD2 4.45Å; F112-L136 HydrophobicContact CE1-CD1 4.48Å; I113-L136 HydrophobicContact CG2-CB 4.43Å; N116-L136 HydrophobicContact CB-CD1 3.53Å; E134-L136 PolarHBondContact O-N 3.31Å |
| 137 | M | 77.8 | Confident | 68.6 | Low | 31 Ų | 31 | 61.8 Ų | 61.8 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 150.3 | 177.7 | -66.9 | -179.2 | -74.2 | 0 | 0 | 110.3 | Y58 P135 E141 L142 D145 | Y58-M137 WeakPolarHBondContact CE2-O 3.44Å; Y58-M137 PolarHBondContact OH-N 3.43Å; Y58-M137 VanDerWaalsContact OH-N 3.08Å; Y58-M137 PolarHBondContact OH-O 3.03Å; P135-M137 PolarHBondContact O-N 2.83Å; M137-E141 HydrophobicContact CB-CB 4.04Å; M137-L142 HydrophobicContact CB-CB 4.36Å; M137-L142 HydrophobicContact CE-CD1 3.8Å; M137-D145 HydrophobicContact CE-CB 4.14Å; M137-D145 HydrophobicContact SD-CB 4.25Å |
| 138 | E | 84.2 | Confident | 70.6 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -61 | 153.6 | 170.8 | -62 | -174.4 | 165.6 | 0 | 0 | 110 | N109 I113 K114 G140 E141 L142 | N109-E138 HydrophobicContact CB-CG 4.5Å; I113-E138 HydrophobicContact CG2-CG 4.27Å; K114-E138 WeakPolarHBondContact CE-OE1 3.49Å; K114-E138 IonicContact NZ-OE1 3.01Å; E138-G140 VanDerWaalsContact C-N 3.3Å; E138-G140 PolarHBondContact O-N 3Å; E138-E141 HydrophobicContact CB-CB 4.44Å; E138-E141 HydrophobicContact CB-CG 3.93Å; E138-E141 PolarHBondContact N-OE2 3.19Å; E138-E141 CarbonylContact O-C 3.59Å; E138-E141 WeakPolarHBondContact O-CA 3.26Å; E138-E141 WeakPolarHBondContact O-CB 3.39Å; E138-E141 PolarHBondContact O-N 3.21Å; E138-L142 WeakPolarHBondContact O-CB 3.5Å; E138-L142 PolarHBondContact O-N 3.45Å |
| 139 | I | 84.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.5 | -37.8 | -172.9 | -65.7 | -63.9 | 0 | 0 | 0 | 112.5 | Y58 T61 M101 Y105 L108 N109 I113 L142 A143 | Y58-I139 HydrophobicContact CD2-CD1 3.6Å; Y58-I139 HydrophobicContact CE2-CD1 3.65Å; T61-I139 HydrophobicContact CG2-CD1 4.07Å; T61-I139 HydrophobicContact CG2-CG2 4.45Å; M101-I139 HydrophobicContact CB-CG2 4.3Å; M101-I139 HydrophobicContact CE-CG2 4.11Å; Y105-I139 HydrophobicContact CD1-CG1 4.36Å; Y105-I139 HydrophobicContact CD2-CB 4.44Å; Y105-I139 HydrophobicContact CD2-CG1 4.26Å; Y105-I139 HydrophobicContact CD2-CG2 3.92Å; Y105-I139 HydrophobicContact CG-CB 4.4Å; Y105-I139 HydrophobicContact CG-CG1 3.9Å; Y105-I139 HydrophobicContact CG-CG2 4.37Å; L108-I139 HydrophobicContact CD2-CG1 4.46Å; N109-I139 PolarHBondContact OD1-N 3.21Å; N109-I139 VanDerWaalsContact OD1-N 3.16Å; I113-I139 HydrophobicContact CD1-CG1 4.31Å; I139-L142 HydrophobicContact CD1-CD2 4.35Å; I139-L142 PolarHBondContact O-N 3.46Å; I139-A143 WeakPolarHBondContact O-CB 2.84Å; I139-A143 PolarHBondContact O-N 3.29Å |
| 140 | G | 84.1 | Confident | 74.8 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D102 E138 A143 L144 | D102-G140 PolarHBondContact OD1-N 3.32Å; E138-G140 VanDerWaalsContact C-N 3.3Å; E138-G140 PolarHBondContact O-N 3Å; G140-A143 PolarHBondContact O-N 3.26Å; G140-L144 WeakPolarHBondContact O-CG 3.25Å; G140-L144 PolarHBondContact O-N 3.21Å; G140-L144 VanDerWaalsContact O-N 3.11Å |
| 141 | E | 85 | Confident | 76.9 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.3 | -58.1 | 177.9 | 153.2 | 0 | 0 | 111.2 | K117 M137 E138 L144 D145 Y194 | K117-E141 IonicContact NZ-OE1 2.69Å; K117-E141 IonicContact NZ-OE2 2.72Å; K117-E141 PolarHBondContact NZ-OE2 3.01Å; M137-E141 HydrophobicContact CB-CB 4.04Å; E138-E141 HydrophobicContact CB-CB 4.44Å; E138-E141 HydrophobicContact CB-CG 3.93Å; E138-E141 PolarHBondContact N-OE2 3.19Å; E138-E141 CarbonylContact O-C 3.59Å; E138-E141 WeakPolarHBondContact O-CA 3.26Å; E138-E141 WeakPolarHBondContact O-CB 3.39Å; E138-E141 PolarHBondContact O-N 3.21Å; E141-L144 PolarHBondContact O-N 3.42Å; E141-D145 PolarHBondContact O-N 3.48Å; E141-Y194 HydrophobicContact CB-CD1 4.44Å; E141-Y194 HydrophobicContact CB-CD2 4.31Å; E141-Y194 HydrophobicContact CB-CG 4.12Å; E141-Y194 HydrophobicContact CG-CD2 4.4Å; E141-Y194 HydrophobicContact CG-CG 4.09Å |
| 142 | L | 85.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.9 | 178.8 | 67.8 | 0 | 0 | 0 | 111.1 | Y58 K62 L65 M137 E138 I139 L144 D145 M146 | Y58-L142 HydrophobicContact CE1-CD2 4.41Å; Y58-L142 HydrophobicContact CE2-CD2 4.14Å; K62-L142 HydrophobicContact CB-CD2 3.92Å; K62-L142 HydrophobicContact CD-CD1 4.39Å; K62-L142 HydrophobicContact CG-CD1 4.23Å; K62-L142 HydrophobicContact CG-CD2 4.14Å; L65-L142 HydrophobicContact CD1-CD2 4.19Å; L65-L142 HydrophobicContact CD1-CG 4.34Å; M137-L142 HydrophobicContact CB-CB 4.36Å; M137-L142 HydrophobicContact CE-CD1 3.8Å; E138-L142 WeakPolarHBondContact O-CB 3.5Å; E138-L142 PolarHBondContact O-N 3.45Å; I139-L142 HydrophobicContact CD1-CD2 4.35Å; I139-L142 PolarHBondContact O-N 3.46Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.45Å; L142-D145 PolarHBondContact O-N 2.94Å; L142-M146 HydrophobicContact CD1-CE 4.1Å; L142-M146 HydrophobicContact CD1-CG 4.47Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 2.96Å; L142-M146 PolarHBondContact O-N 3.13Å |
| 143 | A | 87.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L65 Y94 A98 I139 G140 W147 | L65-A143 HydrophobicContact CD1-CB 4.14Å; L65-A143 HydrophobicContact CD2-CB 4.34Å; Y94-A143 HydrophobicContact CE1-CB 4.33Å; Y94-A143 WeakPolarHBondContact CE1-O 3.12Å; Y94-A143 WeakPolarHBondContact OH-CA 3.34Å; Y94-A143 PolarHBondContact OH-O 3.07Å; A98-A143 HydrophobicContact CB-CB 3.67Å; I139-A143 WeakPolarHBondContact O-CB 2.84Å; I139-A143 PolarHBondContact O-N 3.29Å; G140-A143 PolarHBondContact O-N 3.26Å; A143-W147 PolarHBondContact O-N 3.23Å; A143-W147 VanDerWaalsContact O-N 3.11Å |
| 144 | L | 87.7 | Confident | 83.4 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -42.1 | 174.6 | -66 | 173.2 | 0 | 0 | 0 | 112.2 | W91 G140 E141 L142 W147 R148 Y194 | W91-L144 HydrophobicContact CH2-CD2 3.66Å; W91-L144 HydrophobicContact CZ3-CD2 4.23Å; G140-L144 WeakPolarHBondContact O-CG 3.25Å; G140-L144 PolarHBondContact O-N 3.21Å; G140-L144 VanDerWaalsContact O-N 3.11Å; E141-L144 PolarHBondContact O-N 3.42Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.45Å; L144-W147 PolarHBondContact O-N 3.18Å; L144-R148 PolarHBondContact O-N 3.43Å; L144-Y194 HydrophobicContact CB-CD1 4.17Å; L144-Y194 HydrophobicContact CB-CE1 4.08Å; L144-Y194 HydrophobicContact CD1-CD1 4.08Å |
| 145 | D | 86.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.6 | -171.4 | 61.2 | 0 | 0 | 0 | 112.4 | M137 E141 L142 R148 K149 Y194 | M137-D145 HydrophobicContact CE-CB 4.14Å; M137-D145 HydrophobicContact SD-CB 4.25Å; E141-D145 PolarHBondContact O-N 3.48Å; L142-D145 PolarHBondContact O-N 2.94Å; D145-R148 WeakPolarHBondContact O-CB 3.4Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-K149 PolarHBondContact O-N 3.05Å; D145-K149 IonicContact OD1-NZ 3.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.36Å; D145-K149 IonicContact OD2-NZ 2.73Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å; D145-Y194 PolarHBondContact OD1-OH 2.99Å |
| 146 | M | 88.4 | Confident | 86 | Confident | 13 Ų | 13 | 26 Ų | 26 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.6 | -67.6 | -53.6 | 92 | 0 | 0 | 111.4 | L65 V69 L142 R148 K149 L150 | L65-M146 HydrophobicContact CB-CG 4.37Å; V69-M146 HydrophobicContact CG2-CB 4.45Å; L142-M146 HydrophobicContact CD1-CE 4.1Å; L142-M146 HydrophobicContact CD1-CG 4.47Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 2.96Å; L142-M146 PolarHBondContact O-N 3.13Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 3.16Å; M146-K149 HydrophobicContact CE-CD 4.38Å; M146-L150 HydrophobicContact CB-CD1 4.47Å; M146-L150 VanDerWaalsContact O-CB 3.29Å; M146-L150 WeakPolarHBondContact O-CB 3.28Å; M146-L150 PolarHBondContact O-N 3.06Å; M146-L150 HydrophobicContact SD-CD1 4.48Å |
| 147 | W | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.1 | -168.2 | -89.3 | 0 | 0 | 0 | 111.9 | V69 L72 Y87 W91 Y94 A143 L144 M151 I152 | V69-W147 HydrophobicContact CG1-CE3 4.36Å; V69-W147 HydrophobicContact CG2-CE3 4.34Å; L72-W147 HydrophobicContact CD1-CH2 4.33Å; L72-W147 HydrophobicContact CD1-CZ3 3.75Å; Y87-W147 HydrophobicContact CD2-CZ2 4.21Å; Y87-W147 AromaticContact CE2-CE2 3.97Å; Y87-W147 AromaticContact CE2-CZ2 3.77Å; Y87-W147 HydrophobicContact CE2-CZ2 3.77Å; Y87-W147 AromaticContact CE2-NE1 3.64Å; Y87-W147 AromaticContact CZ-NE1 3.56Å; Y87-W147 PolarHBondContact OH-NE1 3.1Å; W91-W147 HydrophobicContact CB-CZ2 3.88Å; W91-W147 AromaticContact CE3-CD1 3.48Å; W91-W147 VanDerWaalsContact CE3-CD1 3.48Å; W91-W147 AromaticContact CE3-CD2 3.79Å; W91-W147 HydrophobicContact CE3-CD2 3.79Å; W91-W147 AromaticContact CE3-CE2 3.44Å; W91-W147 VanDerWaalsContact CE3-CE2 3.44Å; W91-W147 AromaticContact CE3-CG 3.83Å; W91-W147 HydrophobicContact CE3-CG 3.83Å; W91-W147 HydrophobicContact CE3-CZ2 4.02Å; W91-W147 AromaticContact CE3-NE1 3.23Å; W91-W147 HydrophobicContact CZ3-CB 4.24Å; W91-W147 AromaticContact CZ3-CD1 3.36Å; W91-W147 HydrophobicContact CZ3-CD2 4.07Å; W91-W147 AromaticContact CZ3-CG 3.63Å; W91-W147 HydrophobicContact CZ3-CG 3.63Å; W91-W147 AromaticContact CZ3-NE1 3.67Å; Y94-W147 HydrophobicContact CD1-CB 4.41Å; Y94-W147 AromaticContact CD1-CD2 3.93Å; Y94-W147 HydrophobicContact CD1-CD2 3.93Å; Y94-W147 AromaticContact CD1-CE3 3.3Å; Y94-W147 HydrophobicContact CD1-CE3 3.3Å; Y94-W147 HydrophobicContact CD1-CG 4.4Å; Y94-W147 AromaticContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD2-CE3 4.05Å; Y94-W147 HydrophobicContact CD2-CZ3 4.04Å; Y94-W147 HydrophobicContact CE1-CB 3.87Å; Y94-W147 HydrophobicContact CE1-CD2 4.19Å; Y94-W147 AromaticContact CE1-CE3 3.62Å; Y94-W147 HydrophobicContact CE1-CE3 3.62Å; Y94-W147 HydrophobicContact CE1-CG 4.32Å; Y94-W147 HydrophobicContact CE1-CZ3 4.48Å; Y94-W147 HydrophobicContact CE2-CE3 4.31Å; Y94-W147 AromaticContact CG-CE3 3.53Å; Y94-W147 HydrophobicContact CG-CE3 3.53Å; Y94-W147 AromaticContact CG-CZ3 3.56Å; Y94-W147 HydrophobicContact CG-CZ3 3.56Å; A143-W147 PolarHBondContact O-N 3.23Å; A143-W147 VanDerWaalsContact O-N 3.11Å; L144-W147 PolarHBondContact O-N 3.18Å; W147-M151 HydrophobicContact CD2-CB 4.07Å; W147-M151 HydrophobicContact CD2-CG 3.79Å; W147-M151 HydrophobicContact CE3-CG 3.86Å; W147-M151 HydrophobicContact CG-CB 4.32Å; W147-M151 HydrophobicContact CG-CG 4.39Å; W147-M151 HydrophobicContact CH2-CE 3.88Å; W147-M151 HydrophobicContact CH2-CG 4.18Å; W147-M151 HydrophobicContact CZ2-CB 4.31Å; W147-M151 HydrophobicContact CZ2-CE 3.96Å; W147-M151 HydrophobicContact CZ2-CG 4.09Å; W147-M151 HydrophobicContact CZ3-CE 4.49Å; W147-M151 HydrophobicContact CZ3-CG 4.07Å; W147-M151 WeakPolarHBondContact O-CA 3.43Å; W147-M151 VanDerWaalsContact O-CB 3.28Å; W147-M151 WeakPolarHBondContact O-CB 3.47Å; W147-M151 PolarHBondContact O-N 2.91Å; W147-I152 PolarHBondContact O-N 2.95Å |
| 148 | R | 89.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -55.1 | -58.4 | 175.4 | -165 | 172.5 | 159.2 | -101.1 | -13.8 | 112.1 | L144 D145 M146 I152 E153 V191 E192 F202 | L144-R148 PolarHBondContact O-N 3.43Å; D145-R148 WeakPolarHBondContact O-CB 3.4Å; D145-R148 PolarHBondContact O-N 2.96Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 3.16Å; R148-I152 PolarHBondContact O-N 2.87Å; R148-E153 IonicContact CZ-OE1 3.76Å; R148-E153 IonicContact NE-OE1 3.48Å; R148-E153 IonicContact NH1-OE1 3.54Å; R148-E153 IonicContact NH2-OE1 3.7Å; R148-E153 PolarHBondContact NH2-OE1 3.48Å; R148-E153 PolarHBondContact O-N 3.17Å; R148-V191 HydrophobicContact CB-CG1 3.34Å; R148-V191 HydrophobicContact CG-CG1 3.61Å; R148-E192 IonicContact CZ-OE1 3.7Å; R148-E192 IonicContact NE-OE1 3.26Å; R148-F202 HydrophobicContact CG-CE2 4.12Å; R148-F202 HydrophobicContact CG-CZ 4.03Å |
| 149 | K | 87.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 26.3 Ų | 26.3 | 36% | 0.361 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -71.1 | -37.4 | -171.8 | -72.2 | 173.8 | 176.5 | 162.3 | 0 | 113.2 | D145 M146 P154 | D145-K149 PolarHBondContact O-N 3.05Å; D145-K149 IonicContact OD1-NZ 3.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.36Å; D145-K149 IonicContact OD2-NZ 2.73Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å; M146-K149 HydrophobicContact CE-CD 4.38Å; K149-P154 WeakPolarHBondContact O-CD 3.44Å |
| 150 | L | 88.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 27.4 Ų | 27.4 | 12% | 0.12 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -100.1 | -26.2 | -170.1 | -60.6 | 171.2 | 0 | 0 | 0 | 113.6 | E66 V69 R70 Y73 M146 | E66-L150 HydrophobicContact CB-CD1 4.3Å; E66-L150 HydrophobicContact CG-CD1 3.89Å; V69-L150 HydrophobicContact CB-CB 4.44Å; V69-L150 HydrophobicContact CB-CD1 4.16Å; V69-L150 HydrophobicContact CG1-CB 3.6Å; V69-L150 HydrophobicContact CG1-CD1 4.19Å; R70-L150 HydrophobicContact CG-CD1 4.32Å; R70-L150 HydrophobicContact CG-CD2 4.43Å; Y73-L150 WeakPolarHBondContact CD2-O 3.33Å; M146-L150 HydrophobicContact CB-CD1 4.47Å; M146-L150 VanDerWaalsContact O-CB 3.29Å; M146-L150 WeakPolarHBondContact O-CB 3.28Å; M146-L150 PolarHBondContact O-N 3.06Å; M146-L150 HydrophobicContact SD-CD1 4.48Å |
| 151 | M | 86.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -104.5 | -55.9 | 177.4 | -64.7 | -70.1 | -69.5 | 0 | 0 | 112 | V69 L72 Y73 V76 Y87 W147 L155 | V69-M151 HydrophobicContact CG1-CG 3.39Å; V69-M151 HydrophobicContact CG1-SD 4.08Å; L72-M151 HydrophobicContact CB-CE 4.43Å; L72-M151 HydrophobicContact CB-SD 4.32Å; Y73-M151 WeakPolarHBondContact CA-SD 3.45Å; Y73-M151 VanDerWaalsContact CB-SD 3.57Å; Y73-M151 HydrophobicContact CD2-SD 4.24Å; Y73-M151 HydrophobicContact CG-SD 4.43Å; Y73-M151 PolarHBondContact N-SD 2.79Å; Y73-M151 VanDerWaalsContact N-SD 3.4Å; V76-M151 HydrophobicContact CB-CE 4.42Å; V76-M151 HydrophobicContact CG2-CE 3.87Å; Y87-M151 HydrophobicContact CD2-CE 4.2Å; Y87-M151 HydrophobicContact CE2-CB 4.33Å; W147-M151 HydrophobicContact CD2-CB 4.07Å; W147-M151 HydrophobicContact CD2-CG 3.79Å; W147-M151 HydrophobicContact CE3-CG 3.86Å; W147-M151 HydrophobicContact CG-CB 4.32Å; W147-M151 HydrophobicContact CG-CG 4.39Å; W147-M151 HydrophobicContact CH2-CE 3.88Å; W147-M151 HydrophobicContact CH2-CG 4.18Å; W147-M151 HydrophobicContact CZ2-CB 4.31Å; W147-M151 HydrophobicContact CZ2-CE 3.96Å; W147-M151 HydrophobicContact CZ2-CG 4.09Å; W147-M151 HydrophobicContact CZ3-CE 4.49Å; W147-M151 HydrophobicContact CZ3-CG 4.07Å; W147-M151 WeakPolarHBondContact O-CA 3.43Å; W147-M151 VanDerWaalsContact O-CB 3.28Å; W147-M151 WeakPolarHBondContact O-CB 3.47Å; W147-M151 PolarHBondContact O-N 2.91Å; M151-L155 HydrophobicContact CE-CD1 4.33Å; M151-L155 VanDerWaalsContact O-CB 3.24Å; M151-L155 WeakPolarHBondContact O-CB 3.35Å; M151-L155 VanDerWaalsContact O-CG 3.24Å; M151-L155 WeakPolarHBondContact O-CG 3.33Å; M151-L155 PolarHBondContact O-N 2.89Å |
| 152 | I | 87.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -76 | -51.3 | -168.8 | -58.6 | 168 | 0 | 0 | 0 | 111.4 | Y87 W147 R148 P154 L155 Q156 F188 V191 F202 | Y87-I152 HydrophobicContact CE2-CG1 4.31Å; Y87-I152 WeakPolarHBondContact OH-CD1 3.21Å; Y87-I152 VanDerWaalsContact OH-CG1 3.24Å; Y87-I152 WeakPolarHBondContact OH-CG1 3.41Å; W147-I152 PolarHBondContact O-N 2.95Å; R148-I152 PolarHBondContact O-N 2.87Å; I152-P154 VanDerWaalsContact C-N 3.35Å; I152-L155 CarbonylContact O-C 3.55Å; I152-L155 PolarHBondContact O-N 2.7Å; I152-L155 VanDerWaalsContact O-N 3.13Å; I152-Q156 WeakPolarHBondContact O-CA 3.36Å; I152-Q156 VanDerWaalsContact O-CB 3.28Å; I152-Q156 WeakPolarHBondContact O-CB 3.42Å; I152-Q156 PolarHBondContact O-N 3.43Å; I152-F188 HydrophobicContact CD1-CD1 4Å; I152-F188 HydrophobicContact CD1-CE1 4.36Å; I152-F188 HydrophobicContact CG1-CD1 4.42Å; I152-F188 HydrophobicContact CG1-CE1 4.3Å; I152-F188 HydrophobicContact CG2-CD1 3.92Å; I152-F188 HydrophobicContact CG2-CE1 3.65Å; I152-V191 HydrophobicContact CD1-CB 4.25Å; I152-V191 HydrophobicContact CD1-CG1 4.23Å; I152-V191 HydrophobicContact CD1-CG2 3.74Å; I152-F202 HydrophobicContact CB-CE1 4.41Å; I152-F202 HydrophobicContact CB-CZ 4.16Å; I152-F202 HydrophobicContact CD1-CE1 4.2Å; I152-F202 HydrophobicContact CG2-CE1 3.71Å; I152-F202 HydrophobicContact CG2-CZ 3.55Å |
| 153 | E | 87.7 | Confident | 88.4 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.1 | -39.2 | -176.7 | -72.6 | 176.2 | 179.5 | 0 | 0 | 113.6 | R148 Q156 | R148-E153 IonicContact CZ-OE1 3.76Å; R148-E153 IonicContact NE-OE1 3.48Å; R148-E153 IonicContact NH1-OE1 3.54Å; R148-E153 IonicContact NH2-OE1 3.7Å; R148-E153 PolarHBondContact NH2-OE1 3.48Å; R148-E153 PolarHBondContact O-N 3.17Å; E153-Q156 VanDerWaalsContact O-CD 3.28Å; E153-Q156 VanDerWaalsContact O-CG 3.26Å; E153-Q156 WeakPolarHBondContact O-CG 3.32Å; E153-Q156 PolarHBondContact O-NE2 3.33Å |
| 154 | P | 89.3 | Confident | 88.6 | Confident | 65 Ų | 65 | 36.6 Ų | 36.6 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -75.2 | -36.1 | 174.2 | -20.1 | 34.8 | 0 | 0 | 0 | 113.7 | Y73 K149 I152 | Y73-P154 HydrophobicContact CE2-CB 3.72Å; Y73-P154 HydrophobicContact CE2-CG 4.38Å; K149-P154 WeakPolarHBondContact O-CD 3.44Å; I152-P154 VanDerWaalsContact C-N 3.35Å |
| 155 | L | 87.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -88.6 | -10.2 | -176.7 | -63.1 | 176.5 | 0 | 0 | 0 | 114.1 | Y73 V76 Y87 M151 I152 A157 V158 L159 | Y73-L155 HydrophobicContact CD2-CD1 4.21Å; Y73-L155 HydrophobicContact CD2-CD2 4.32Å; Y73-L155 HydrophobicContact CD2-CG 4.09Å; Y73-L155 HydrophobicContact CE2-CD1 4.3Å; Y73-L155 HydrophobicContact CE2-CD2 3.64Å; Y73-L155 HydrophobicContact CE2-CG 3.71Å; V76-L155 HydrophobicContact CB-CD1 4.47Å; V76-L155 HydrophobicContact CG1-CD1 3.73Å; Y87-L155 HydrophobicContact CD2-CD1 4.4Å; M151-L155 HydrophobicContact CE-CD1 4.33Å; M151-L155 VanDerWaalsContact O-CB 3.24Å; M151-L155 WeakPolarHBondContact O-CB 3.35Å; M151-L155 VanDerWaalsContact O-CG 3.24Å; M151-L155 WeakPolarHBondContact O-CG 3.33Å; M151-L155 PolarHBondContact O-N 2.89Å; I152-L155 CarbonylContact O-C 3.55Å; I152-L155 PolarHBondContact O-N 2.7Å; I152-L155 VanDerWaalsContact O-N 3.13Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 2.97Å; L155-A157 VanDerWaalsContact O-N 3.16Å; L155-V158 PolarHBondContact O-N 2.9Å; L155-L159 HydrophobicContact CB-CD1 3.65Å; L155-L159 HydrophobicContact CB-CG 3.91Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 3.34Å |
| 156 | Q | 88.1 | Confident | 88.7 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52 | -45.3 | -170.1 | 63.3 | -170.5 | -26 | 0 | 0 | 112.8 | I152 E153 V158 L159 I160 I206 | I152-Q156 WeakPolarHBondContact O-CA 3.36Å; I152-Q156 VanDerWaalsContact O-CB 3.28Å; I152-Q156 WeakPolarHBondContact O-CB 3.42Å; I152-Q156 PolarHBondContact O-N 3.43Å; E153-Q156 VanDerWaalsContact O-CD 3.28Å; E153-Q156 VanDerWaalsContact O-CG 3.26Å; E153-Q156 WeakPolarHBondContact O-CG 3.32Å; E153-Q156 PolarHBondContact O-NE2 3.33Å; Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 2.76Å; Q156-L159 PolarHBondContact O-N 2.94Å; Q156-I160 HydrophobicContact CB-CD1 4.2Å; Q156-I160 WeakPolarHBondContact O-CB 3.47Å; Q156-I160 VanDerWaalsContact O-CD1 3.22Å; Q156-I160 WeakPolarHBondContact O-CD1 3.38Å; Q156-I160 WeakPolarHBondContact O-CG1 3.4Å; Q156-I160 PolarHBondContact O-N 3.49Å; Q156-I206 HydrophobicContact CB-CG2 4.22Å; Q156-I206 VanDerWaalsContact OE1-CD1 3.23Å |
| 157 | A | 88.1 | Confident | 88.7 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 50% | 0.504 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.3 | -26.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L155 R161 | L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 2.97Å; L155-A157 VanDerWaalsContact O-N 3.16Å; A157-R161 WeakPolarHBondContact O-CB 3.38Å; A157-R161 PolarHBondContact O-NE 3.46Å; A157-R161 PolarHBondContact O-NH2 3.02Å |
| 158 | V | 88.8 | Confident | 88.7 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -85.7 | -48 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | L155 Q156 I160 R161 M162 | L155-V158 PolarHBondContact O-N 2.9Å; Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 2.76Å; V158-I160 PolarHBondContact O-N 3.39Å; V158-R161 PolarHBondContact O-N 2.89Å; V158-M162 HydrophobicContact CG1-CG 4.38Å; V158-M162 HydrophobicContact CG1-SD 3.99Å; V158-M162 WeakPolarHBondContact O-CG 3.48Å; V158-M162 PolarHBondContact O-N 3.4Å |
| 159 | L | 88.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -49.8 | -179.8 | -70.4 | 173.6 | 0 | 0 | 0 | 112 | V83 L84 Y87 L155 Q156 R161 M162 L163 F188 | V83-L159 HydrophobicContact CG1-CD2 3.95Å; L84-L159 HydrophobicContact CD2-CD2 4Å; Y87-L159 HydrophobicContact CD2-CD1 4.12Å; Y87-L159 HydrophobicContact CE2-CD1 4.1Å; Y87-L159 HydrophobicContact CG-CD1 4.46Å; Y87-L159 HydrophobicContact CG-CD2 4.29Å; L155-L159 HydrophobicContact CB-CD1 3.65Å; L155-L159 HydrophobicContact CB-CG 3.91Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 3.34Å; Q156-L159 PolarHBondContact O-N 2.94Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.3Å; L159-M162 PolarHBondContact O-N 3.38Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.2Å; L159-F188 HydrophobicContact CB-CZ 4.48Å; L159-F188 HydrophobicContact CD1-CZ 4.47Å |
| 160 | I | 90.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 178.6 | -63 | 157.5 | 0 | 0 | 0 | 110.1 | Q156 V158 M162 L163 L164 I206 P210 | Q156-I160 HydrophobicContact CB-CD1 4.2Å; Q156-I160 WeakPolarHBondContact O-CB 3.47Å; Q156-I160 VanDerWaalsContact O-CD1 3.22Å; Q156-I160 WeakPolarHBondContact O-CD1 3.38Å; Q156-I160 WeakPolarHBondContact O-CG1 3.4Å; Q156-I160 PolarHBondContact O-N 3.49Å; V158-I160 PolarHBondContact O-N 3.39Å; I160-M162 PolarHBondContact O-N 3.48Å; I160-L163 PolarHBondContact O-N 3.49Å; I160-L164 HydrophobicContact CG2-CD1 3.54Å; I160-L164 HydrophobicContact CG2-CG 4.06Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 WeakPolarHBondContact O-CG 3.28Å; I160-L164 PolarHBondContact O-N 3.49Å; I160-I206 HydrophobicContact CD1-CG2 3.69Å; I160-I206 WeakPolarHBondContact CD1-O 3.41Å; I160-I206 HydrophobicContact CG1-CG2 4.19Å; I160-P210 HydrophobicContact CG2-CB 4.21Å |
| 161 | R | 89.8 | Confident | 88.5 | Confident | 167 Ų | 167 | 46.2 Ų | 46.2 | 63% | 0.63 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.9 | -42.9 | -179 | -168.2 | -166.9 | -32.4 | 175.9 | 10.5 | 112.1 | A157 V158 L159 K165 | A157-R161 WeakPolarHBondContact O-CB 3.38Å; A157-R161 PolarHBondContact O-NE 3.46Å; A157-R161 PolarHBondContact O-NH2 3.02Å; V158-R161 PolarHBondContact O-N 2.89Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.3Å; R161-K165 WeakPolarHBondContact O-CB 3.21Å; R161-K165 PolarHBondContact O-N 2.99Å |
| 162 | M | 87.6 | Confident | 88.4 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.4 | -44.5 | 176.7 | -65.6 | -177.6 | 77.8 | 0 | 0 | 111.3 | V83 L84 V158 L159 I160 L164 K165 E166 | V83-M162 HydrophobicContact CB-SD 4.07Å; L84-M162 HydrophobicContact CD1-CB 3.53Å; L84-M162 HydrophobicContact CD1-CE 4.27Å; L84-M162 HydrophobicContact CG-CB 4.04Å; L84-M162 HydrophobicContact CG-CE 4.45Å; L84-M162 HydrophobicContact CG-SD 4.43Å; V158-M162 HydrophobicContact CG1-CG 4.38Å; V158-M162 HydrophobicContact CG1-SD 3.99Å; V158-M162 WeakPolarHBondContact O-CG 3.48Å; V158-M162 PolarHBondContact O-N 3.4Å; L159-M162 PolarHBondContact O-N 3.38Å; I160-M162 PolarHBondContact O-N 3.48Å; M162-L164 VanDerWaalsContact C-N 3.35Å; M162-L164 PolarHBondContact O-N 3.12Å; M162-K165 WeakPolarHBondContact O-CB 3.19Å; M162-K165 PolarHBondContact O-N 2.87Å; M162-K165 VanDerWaalsContact O-N 3.13Å; M162-E166 WeakPolarHBondContact O-CG 3.16Å; M162-E166 PolarHBondContact O-N 3.33Å |
| 163 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 175.6 | -74 | 170 | 0 | 0 | 0 | 111.8 | L84 L159 I160 K165 E166 V167 I181 V184 I185 F188 F207 | L84-L163 HydrophobicContact CD2-CD2 3.7Å; L84-L163 HydrophobicContact CD2-CG 3.81Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.2Å; I160-L163 PolarHBondContact O-N 3.49Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 3.42Å; L163-E166 PolarHBondContact O-N 3.45Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.77Å; L163-I181 HydrophobicContact CD2-CG1 4.5Å; L163-I181 HydrophobicContact CD2-CG2 4.2Å; L163-V184 HydrophobicContact CD1-CG1 3.87Å; L163-V184 HydrophobicContact CD2-CB 4.22Å; L163-V184 HydrophobicContact CD2-CG1 4.18Å; L163-V184 HydrophobicContact CG-CG1 4.41Å; L163-I185 HydrophobicContact CD1-CG1 4.35Å; L163-F188 HydrophobicContact CD1-CE2 3.86Å; L163-F188 HydrophobicContact CD1-CZ 4.28Å; L163-F207 HydrophobicContact CB-CE2 3.99Å; L163-F207 HydrophobicContact CD1-CD2 4.07Å; L163-F207 HydrophobicContact CD1-CE2 3.86Å |
| 164 | L | 90.8 | Very high | 88 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -32.7 | 178.5 | -66.2 | 173.2 | 0 | 0 | 0 | 112 | I160 M162 K168 P210 F211 K214 | I160-L164 HydrophobicContact CG2-CD1 3.54Å; I160-L164 HydrophobicContact CG2-CG 4.06Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 WeakPolarHBondContact O-CG 3.28Å; I160-L164 PolarHBondContact O-N 3.49Å; M162-L164 VanDerWaalsContact C-N 3.35Å; M162-L164 PolarHBondContact O-N 3.12Å; L164-K168 WeakPolarHBondContact O-CB 3.19Å; L164-K168 PolarHBondContact O-N 3.14Å; L164-P210 HydrophobicContact CD1-CB 4.36Å; L164-F211 HydrophobicContact CD2-CB 4.08Å; L164-F211 HydrophobicContact CD2-CD2 3.76Å; L164-F211 HydrophobicContact CD2-CG 4.37Å; L164-K214 HydrophobicContact CD1-CG 4.16Å |
| 165 | K | 88.9 | Confident | 87.3 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.7 | -47.3 | 173.7 | -173.3 | -174.3 | 176.7 | -169.5 | 0 | 111.3 | R161 M162 L163 V167 K168 N169 | R161-K165 WeakPolarHBondContact O-CB 3.21Å; R161-K165 PolarHBondContact O-N 2.99Å; M162-K165 WeakPolarHBondContact O-CB 3.19Å; M162-K165 PolarHBondContact O-N 2.87Å; M162-K165 VanDerWaalsContact O-N 3.13Å; L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 PolarHBondContact O-N 3.42Å; K165-V167 VanDerWaalsContact C-N 3.35Å; K165-V167 PolarHBondContact O-N 3.5Å; K165-K168 WeakPolarHBondContact O-CB 3.36Å; K165-K168 PolarHBondContact O-N 3.3Å; K165-K168 VanDerWaalsContact O-N 3.16Å; K165-N169 PolarHBondContact O-N 3.03Å; K165-N169 PolarHBondContact O-OD1 3.08Å |
| 166 | E | 87.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.8 | -67.1 | -64.7 | 143.6 | 0 | 0 | 111.8 | L84 M162 L163 K168 N169 D170 P176 I181 | L84-E166 HydrophobicContact CD1-CG 4.18Å; M162-E166 WeakPolarHBondContact O-CG 3.16Å; M162-E166 PolarHBondContact O-N 3.33Å; L163-E166 PolarHBondContact O-N 3.45Å; E166-K168 VanDerWaalsContact C-N 3.33Å; E166-K168 PolarHBondContact O-N 2.95Å; E166-N169 PolarHBondContact O-N 2.98Å; E166-D170 PolarHBondContact O-N 3.21Å; E166-P176 HydrophobicContact CB-CB 4.49Å; E166-P176 WeakPolarHBondContact OE2-CB 3.34Å; E166-I181 HydrophobicContact CB-CD1 3.89Å |
| 167 | V | 89.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L163 K165 N169 D170 R171 F211 R249 Y253 | L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.77Å; K165-V167 VanDerWaalsContact C-N 3.35Å; K165-V167 PolarHBondContact O-N 3.5Å; V167-N169 VanDerWaalsContact C-N 3.35Å; V167-D170 PolarHBondContact O-N 3.06Å; V167-R171 WeakPolarHBondContact O-CG 3.38Å; V167-R171 PolarHBondContact O-N 3.1Å; V167-R171 VanDerWaalsContact O-N 3.11Å; V167-F211 HydrophobicContact CG1-CE2 3.96Å; V167-F211 HydrophobicContact CG2-CE2 4.3Å; V167-R249 PolarHBondContact O-NH1 3.12Å; V167-Y253 HydrophobicContact CG2-CD2 4.5Å |
| 168 | K | 89.2 | Confident | 86.6 | Confident | 115 Ų | 115 | 62.1 Ų | 62.1 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.6 | -177.9 | -177.3 | 176.2 | -178.6 | 0 | 111.2 | L164 K165 E166 D170 R171 C172 | L164-K168 WeakPolarHBondContact O-CB 3.19Å; L164-K168 PolarHBondContact O-N 3.14Å; K165-K168 WeakPolarHBondContact O-CB 3.36Å; K165-K168 PolarHBondContact O-N 3.3Å; K165-K168 VanDerWaalsContact O-N 3.16Å; E166-K168 VanDerWaalsContact C-N 3.33Å; E166-K168 PolarHBondContact O-N 2.95Å; K168-D170 VanDerWaalsContact C-N 3.33Å; K168-D170 PolarHBondContact O-N 3.44Å; K168-R171 WeakPolarHBondContact O-CA 3.5Å; K168-R171 WeakPolarHBondContact O-CB 3.47Å; K168-R171 PolarHBondContact O-N 2.93Å; K168-C172 PolarHBondContact O-N 3.35Å; K168-C172 PolarHBondContact O-SG 3.44Å |
| 169 | N | 87.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 178 | -77.4 | 18.7 | 0 | 0 | 0 | 112 | K165 E166 V167 R171 C172 G173 E174 | K165-N169 PolarHBondContact O-N 3.03Å; K165-N169 PolarHBondContact O-OD1 3.08Å; E166-N169 PolarHBondContact O-N 2.98Å; V167-N169 VanDerWaalsContact C-N 3.35Å; N169-R171 PolarHBondContact O-N 3.12Å; N169-C172 CarbonylContact O-C 3.22Å; N169-C172 WeakPolarHBondContact O-CA 3.43Å; N169-C172 WeakPolarHBondContact O-CB 3.42Å; N169-C172 PolarHBondContact O-N 3.4Å; N169-G173 PolarHBondContact O-N 3.09Å; N169-G173 VanDerWaalsContact O-N 3.17Å; N169-E174 HydrophobicContact CB-CB 4.15Å; N169-E174 HydrophobicContact CB-CG 4.43Å; N169-E174 WeakPolarHBondContact CB-OE2 3.45Å; N169-E174 PolarHBondContact ND2-OE2 3.03Å; N169-E174 PolarHBondContact O-N 3.33Å |
| 170 | D | 87.8 | Confident | 86.6 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 10% | 0.096 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -34.5 | 170.7 | 179.8 | -0.6 | 0 | 0 | 0 | 111.5 | E166 V167 K168 C172 G173 E174 P176 R249 Y253 | E166-D170 PolarHBondContact O-N 3.21Å; V167-D170 PolarHBondContact O-N 3.06Å; K168-D170 VanDerWaalsContact C-N 3.33Å; K168-D170 PolarHBondContact O-N 3.44Å; D170-C172 PolarHBondContact O-N 3.49Å; D170-G173 PolarHBondContact O-N 3Å; D170-G173 VanDerWaalsContact O-N 3.11Å; D170-E174 VanDerWaalsContact CA-O 3.23Å; D170-E174 WeakPolarHBondContact CA-O 3.49Å; D170-P176 HydrophobicContact CB-CG 3.94Å; D170-R249 VanDerWaalsContact C-NH2 3.3Å; D170-R249 VanDerWaalsContact CG-CZ 3.41Å; D170-R249 PolarHBondContact O-NH2 3.13Å; D170-R249 IonicContact OD1-CZ 3.45Å; D170-R249 VanDerWaalsContact OD1-CZ 3.29Å; D170-R249 IonicContact OD1-NH1 3.06Å; D170-R249 PolarHBondContact OD1-NH1 3.45Å; D170-R249 IonicContact OD1-NH2 3.39Å; D170-R249 PolarHBondContact OD1-NH2 3.09Å; D170-R249 IonicContact OD2-CZ 3.99Å; D170-R249 IonicContact OD2-NH1 3.12Å; D170-R249 PolarHBondContact OD2-NH1 3.22Å; D170-Y253 WeakPolarHBondContact OD2-CE2 3.31Å; D170-Y253 VanDerWaalsContact OD2-CZ 3.27Å; D170-Y253 PolarHBondContact OD2-OH 2.88Å |
| 171 | R | 86.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69 | -26.9 | 177.3 | -67.1 | -172.8 | -178.2 | 138.5 | 1.3 | 111.1 | V167 K168 N169 G173 T215 Y218 E246 R249 | V167-R171 WeakPolarHBondContact O-CG 3.38Å; V167-R171 PolarHBondContact O-N 3.1Å; V167-R171 VanDerWaalsContact O-N 3.11Å; K168-R171 WeakPolarHBondContact O-CA 3.5Å; K168-R171 WeakPolarHBondContact O-CB 3.47Å; K168-R171 PolarHBondContact O-N 2.93Å; N169-R171 PolarHBondContact O-N 3.12Å; R171-G173 VanDerWaalsContact C-N 3.34Å; R171-T215 VanDerWaalsContact NH2-CG2 3.29Å; R171-T215 PolarHBondContact NH2-OG1 2.79Å; R171-Y218 HydrophobicContact CB-CE1 4.16Å; R171-Y218 HydrophobicContact CB-CE2 4.26Å; R171-Y218 HydrophobicContact CG-CE1 4.3Å; R171-E246 IonicContact CZ-OE1 2.78Å; R171-E246 IonicContact CZ-OE2 2.95Å; R171-E246 IonicContact NE-OE1 3.31Å; R171-E246 IonicContact NE-OE2 3.29Å; R171-E246 PolarHBondContact NE-OE2 3.14Å; R171-E246 IonicContact NH2-OE1 3.96Å; R171-E246 PolarHBondContact NH2-OE1 3.43Å; R171-E246 IonicContact NH2-OE2 3.4Å; R171-R249 VanDerWaalsContact CG-CZ 3.47Å |
| 172 | C | 85.2 | Confident | 86.6 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.5 | 173.8 | -60 | 0 | 0 | 0 | 0 | 114 | K168 N169 D170 | K168-C172 PolarHBondContact O-N 3.35Å; K168-C172 PolarHBondContact O-SG 3.44Å; N169-C172 CarbonylContact O-C 3.22Å; N169-C172 WeakPolarHBondContact O-CA 3.43Å; N169-C172 WeakPolarHBondContact O-CB 3.42Å; N169-C172 PolarHBondContact O-N 3.4Å; D170-C172 PolarHBondContact O-N 3.49Å |
| 173 | G | 81.9 | Confident | 86.6 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 15 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | N169 D170 R171 | N169-G173 PolarHBondContact O-N 3.09Å; N169-G173 VanDerWaalsContact O-N 3.17Å; D170-G173 PolarHBondContact O-N 3Å; D170-G173 VanDerWaalsContact O-N 3.11Å; R171-G173 VanDerWaalsContact C-N 3.34Å |
| 174 | E | 83.9 | Confident | 86.7 | Confident | 110 Ų | 110 | 59.2 Ų | 59.2 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | trans | -83.6 | 140.1 | 167.5 | -63.3 | -177.8 | -174.6 | 0 | 0 | 110.5 | N169 D170 P176 | N169-E174 HydrophobicContact CB-CB 4.15Å; N169-E174 HydrophobicContact CB-CG 4.43Å; N169-E174 WeakPolarHBondContact CB-OE2 3.45Å; N169-E174 PolarHBondContact ND2-OE2 3.03Å; N169-E174 PolarHBondContact O-N 3.33Å; D170-E174 VanDerWaalsContact CA-O 3.23Å; D170-E174 WeakPolarHBondContact CA-O 3.49Å; E174-P176 WeakPolarHBondContact O-CD 3.44Å | ||
| 175 | D | 75.8 | Confident | 86.7 | Confident | 148 Ų | 148 | 57.7 Ų | 57.7 | 79% | 0.791 | 30% | 0.303 | S | S | * | . | trans | -92.2 | 100.4 | 178.1 | -77.7 | -46.5 | 0 | 0 | 0 | 111.4 | ||||
| 176 | P | 79.7 | Confident | 86.7 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | trans | -77.8 | 167.5 | 177.6 | 34.8 | -39.5 | 0 | 0 | 0 | 111.7 | E166 D170 E174 Q178 I181 | E166-P176 HydrophobicContact CB-CB 4.49Å; E166-P176 WeakPolarHBondContact OE2-CB 3.34Å; D170-P176 HydrophobicContact CB-CG 3.94Å; E174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-Q178 VanDerWaalsContact C-N 3.34Å; P176-Q178 WeakPolarHBondContact O-CG 3.35Å; P176-Q178 PolarHBondContact O-N 2.81Å; P176-I181 HydrophobicContact CB-CD1 3.6Å; P176-I181 HydrophobicContact CG-CD1 3.65Å | ||
| 177 | N | 83.2 | Confident | 86.8 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | trans | -71.5 | 90.6 | 172.3 | -167.8 | -28.3 | 0 | 0 | 0 | 110.8 | K179 V180 I181 | N177-K179 PolarHBondContact O-N 2.82Å; N177-K179 PolarHBondContact OD1-N 3.27Å; N177-V180 HydrophobicContact CB-CB 4.2Å; N177-V180 HydrophobicContact CB-CG2 4.01Å; N177-V180 VanDerWaalsContact CG-CG2 3.49Å; N177-V180 WeakPolarHBondContact O-CB 3.43Å; N177-V180 PolarHBondContact O-N 3.4Å; N177-V180 PolarHBondContact OD1-N 2.76Å; N177-I181 PolarHBondContact O-N 2.93Å; N177-I181 VanDerWaalsContact O-N 3.17Å | ||
| 178 | Q | 85.3 | Confident | 86.8 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.7 | -36.5 | -175.7 | -56.9 | -176.5 | -3.8 | 0 | 0 | 112.8 | P176 H182 Y253 | P176-Q178 VanDerWaalsContact C-N 3.34Å; P176-Q178 WeakPolarHBondContact O-CG 3.35Å; P176-Q178 PolarHBondContact O-N 2.81Å; Q178-H182 VanDerWaalsContact O-CB 3.27Å; Q178-H182 WeakPolarHBondContact O-CB 3.4Å; Q178-H182 PolarHBondContact O-N 3.3Å; Q178-Y253 HydrophobicContact CB-CE1 3.77Å; Q178-Y253 HydrophobicContact CG-CE1 3.8Å |
| 179 | K | 88 | Confident | 86.7 | Confident | 128 Ų | 128 | 46.7 Ų | 46.7 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 177.9 | -175.5 | -176.1 | 172.7 | -168.4 | 0 | 111.3 | E92 N177 G183 | E92-K179 IonicContact OE2-NZ 2.78Å; N177-K179 PolarHBondContact O-N 2.82Å; N177-K179 PolarHBondContact OD1-N 3.27Å; K179-G183 PolarHBondContact O-N 2.78Å |
| 180 | V | 89.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -48.8 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 110 | L84 V85 H88 N177 H182 G183 V184 | L84-V180 HydrophobicContact CB-CG1 4.24Å; V85-V180 HydrophobicContact CG2-CG1 4.35Å; V85-V180 HydrophobicContact CG2-CG2 4.42Å; H88-V180 HydrophobicContact CB-CG1 3.98Å; N177-V180 HydrophobicContact CB-CB 4.2Å; N177-V180 HydrophobicContact CB-CG2 4.01Å; N177-V180 VanDerWaalsContact CG-CG2 3.49Å; N177-V180 WeakPolarHBondContact O-CB 3.43Å; N177-V180 PolarHBondContact O-N 3.4Å; N177-V180 PolarHBondContact OD1-N 2.76Å; V180-H182 PolarHBondContact O-N 2.69Å; V180-G183 PolarHBondContact O-N 3.06Å; V180-V184 HydrophobicContact CG1-CG2 4.21Å; V180-V184 WeakPolarHBondContact O-CG2 3.4Å; V180-V184 PolarHBondContact O-N 3.09Å |
| 181 | I | 89.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -52 | 179.2 | -64.6 | 173 | 0 | 0 | 0 | 110.6 | L163 E166 P176 N177 G183 V184 I185 Y253 | L163-I181 HydrophobicContact CD2-CG1 4.5Å; L163-I181 HydrophobicContact CD2-CG2 4.2Å; E166-I181 HydrophobicContact CB-CD1 3.89Å; P176-I181 HydrophobicContact CB-CD1 3.6Å; P176-I181 HydrophobicContact CG-CD1 3.65Å; N177-I181 PolarHBondContact O-N 2.93Å; N177-I181 VanDerWaalsContact O-N 3.17Å; I181-G183 VanDerWaalsContact C-N 3.33Å; I181-G183 PolarHBondContact O-N 2.71Å; I181-V184 PolarHBondContact O-N 3.29Å; I181-I185 HydrophobicContact CG2-CD1 3.71Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.42Å; I181-I185 PolarHBondContact O-N 3.08Å; I181-Y253 HydrophobicContact CB-CD1 4.2Å; I181-Y253 HydrophobicContact CD1-CE1 4.49Å; I181-Y253 HydrophobicContact CG2-CD1 3.9Å; I181-Y253 HydrophobicContact CG2-CD2 4.4Å; I181-Y253 HydrophobicContact CG2-CG 3.86Å |
| 182 | H | 90 | Very high | 86.1 | Confident | 71 Ų | 71 | 45.9 Ų | 45.9 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 179.9 | -176.5 | 62 | 0 | 0 | 0 | 111.9 | Q178 V180 I185 N186 K252 Y253 | Q178-H182 VanDerWaalsContact O-CB 3.27Å; Q178-H182 WeakPolarHBondContact O-CB 3.4Å; Q178-H182 PolarHBondContact O-N 3.3Å; V180-H182 PolarHBondContact O-N 2.69Å; H182-I185 PolarHBondContact O-N 2.92Å; H182-N186 PolarHBondContact CD2-ND2 3.41Å; H182-N186 VanDerWaalsContact CD2-ND2 3.3Å; H182-N186 PolarHBondContact CE1-ND2 2.95Å; H182-N186 PolarHBondContact NE2-ND2 2.94Å; H182-N186 WeakPolarHBondContact O-CB 3.25Å; H182-N186 VanDerWaalsContact O-CG 3.29Å; H182-N186 PolarHBondContact O-N 3.29Å; H182-N186 PolarHBondContact O-ND2 2.8Å; H182-K252 PolarHBondContact ND1-O 2.96Å; H182-Y253 PolarHBondContact ND1-O 2.73Å |
| 183 | G | 89 | Confident | 85.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K179 V180 I181 S187 | K179-G183 PolarHBondContact O-N 2.78Å; V180-G183 PolarHBondContact O-N 3.06Å; I181-G183 VanDerWaalsContact C-N 3.33Å; I181-G183 PolarHBondContact O-N 2.71Å; G183-S187 PolarHBondContact O-N 2.98Å |
| 184 | V | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L84 Y87 H88 L163 V180 I181 S187 F188 | L84-V184 HydrophobicContact CD2-CG1 4.2Å; L84-V184 HydrophobicContact CD2-CG2 4.09Å; Y87-V184 HydrophobicContact CD1-CG1 4.1Å; Y87-V184 HydrophobicContact CD1-CG2 3.99Å; Y87-V184 HydrophobicContact CE1-CG1 3.99Å; Y87-V184 HydrophobicContact CE1-CG2 4.44Å; H88-V184 HydrophobicContact CB-CG2 4Å; L163-V184 HydrophobicContact CD1-CG1 3.87Å; L163-V184 HydrophobicContact CD2-CB 4.22Å; L163-V184 HydrophobicContact CD2-CG1 4.18Å; L163-V184 HydrophobicContact CG-CG1 4.41Å; V180-V184 HydrophobicContact CG1-CG2 4.21Å; V180-V184 WeakPolarHBondContact O-CG2 3.4Å; V180-V184 PolarHBondContact O-N 3.09Å; I181-V184 PolarHBondContact O-N 3.29Å; V184-S187 VanDerWaalsContact O-CB 3.23Å; V184-S187 WeakPolarHBondContact O-CB 3.46Å; V184-S187 PolarHBondContact O-N 3.35Å; V184-F188 HydrophobicContact CG1-CE2 4.42Å; V184-F188 HydrophobicContact CG1-CZ 4.02Å |
| 185 | I | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 178.6 | -69.8 | 170.1 | 0 | 0 | 0 | 111.1 | L163 I181 H182 S187 F188 Y203 F207 L254 | L163-I185 HydrophobicContact CD1-CG1 4.35Å; I181-I185 HydrophobicContact CG2-CD1 3.71Å; I181-I185 VanDerWaalsContact O-CG1 3.31Å; I181-I185 WeakPolarHBondContact O-CG1 3.42Å; I181-I185 PolarHBondContact O-N 3.08Å; H182-I185 PolarHBondContact O-N 2.92Å; I185-S187 PolarHBondContact O-N 2.91Å; I185-F188 WeakPolarHBondContact O-CB 3.3Å; I185-F188 PolarHBondContact O-N 3.01Å; I185-F188 VanDerWaalsContact O-N 3.1Å; I185-Y203 HydrophobicContact CG2-CD2 4.29Å; I185-Y203 HydrophobicContact CG2-CE2 3.67Å; I185-F207 HydrophobicContact CD1-CE1 4.02Å; I185-F207 HydrophobicContact CD1-CE2 4.32Å; I185-F207 HydrophobicContact CD1-CZ 3.7Å; I185-F207 HydrophobicContact CG1-CE1 4.33Å; I185-F207 HydrophobicContact CG1-CE2 4.28Å; I185-F207 HydrophobicContact CG1-CZ 4.07Å; I185-L254 HydrophobicContact CD1-CD2 4.29Å |
| 186 | N | 89 | Confident | 84.1 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -29.9 | 176.2 | -76.5 | -15.9 | 0 | 0 | 0 | 112.5 | H182 F188 V189 H190 | H182-N186 PolarHBondContact CD2-ND2 3.41Å; H182-N186 VanDerWaalsContact CD2-ND2 3.3Å; H182-N186 PolarHBondContact CE1-ND2 2.95Å; H182-N186 PolarHBondContact NE2-ND2 2.94Å; H182-N186 WeakPolarHBondContact O-CB 3.25Å; H182-N186 VanDerWaalsContact O-CG 3.29Å; H182-N186 PolarHBondContact O-N 3.29Å; H182-N186 PolarHBondContact O-ND2 2.8Å; N186-F188 VanDerWaalsContact C-N 3.27Å; N186-F188 PolarHBondContact O-N 3.08Å; N186-V189 PolarHBondContact O-N 2.82Å; N186-V189 VanDerWaalsContact O-N 3.13Å; N186-H190 WeakPolarHBondContact O-CB 3.45Å; N186-H190 PolarHBondContact O-N 3.08Å |
| 187 | S | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.6 | -42.2 | 172.6 | 179 | 0 | 0 | 0 | 0 | 111.3 | Y87 W91 G183 V184 I185 V189 H190 V191 | Y87-S187 PolarHBondContact OH-OG 3.1Å; W91-S187 VanDerWaalsContact CE2-CB 3.45Å; W91-S187 VanDerWaalsContact CE2-OG 3.22Å; G183-S187 PolarHBondContact O-N 2.98Å; V184-S187 VanDerWaalsContact O-CB 3.23Å; V184-S187 WeakPolarHBondContact O-CB 3.46Å; V184-S187 PolarHBondContact O-N 3.35Å; I185-S187 PolarHBondContact O-N 2.91Å; S187-V189 VanDerWaalsContact C-N 3.26Å; S187-V189 PolarHBondContact O-N 3.22Å; S187-H190 PolarHBondContact O-N 3.31Å; S187-V191 WeakPolarHBondContact O-CB 3.19Å; S187-V191 WeakPolarHBondContact O-CG2 3.41Å; S187-V191 PolarHBondContact O-N 3.27Å; S187-V191 VanDerWaalsContact O-N 3.08Å |
| 188 | F | 89 | Confident | 83 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -29.5 | 178 | -56.2 | -29.1 | 0 | 0 | 0 | 113.4 | I152 L159 L163 V184 I185 N186 F202 Y203 F207 | I152-F188 HydrophobicContact CD1-CD1 4Å; I152-F188 HydrophobicContact CD1-CE1 4.36Å; I152-F188 HydrophobicContact CG1-CD1 4.42Å; I152-F188 HydrophobicContact CG1-CE1 4.3Å; I152-F188 HydrophobicContact CG2-CD1 3.92Å; I152-F188 HydrophobicContact CG2-CE1 3.65Å; L159-F188 HydrophobicContact CB-CZ 4.48Å; L159-F188 HydrophobicContact CD1-CZ 4.47Å; L163-F188 HydrophobicContact CD1-CE2 3.86Å; L163-F188 HydrophobicContact CD1-CZ 4.28Å; V184-F188 HydrophobicContact CG1-CE2 4.42Å; V184-F188 HydrophobicContact CG1-CZ 4.02Å; I185-F188 WeakPolarHBondContact O-CB 3.3Å; I185-F188 PolarHBondContact O-N 3.01Å; I185-F188 VanDerWaalsContact O-N 3.1Å; N186-F188 VanDerWaalsContact C-N 3.27Å; N186-F188 PolarHBondContact O-N 3.08Å; F188-F202 HydrophobicContact CB-CD1 4.35Å; F188-F202 HydrophobicContact CD1-CE1 4.36Å; F188-Y203 HydrophobicContact CB-CD2 4.48Å; F188-F207 HydrophobicContact CD2-CB 4.13Å; F188-F207 HydrophobicContact CE2-CB 4.45Å; F188-F207 HydrophobicContact CE2-CD2 4.38Å |
| 189 | V | 88.3 | Confident | 82.5 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78 | -46.6 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | N186 S187 V191 E192 Q193 L200 Y203 H255 | N186-V189 PolarHBondContact O-N 2.82Å; N186-V189 VanDerWaalsContact O-N 3.13Å; S187-V189 VanDerWaalsContact C-N 3.26Å; S187-V189 PolarHBondContact O-N 3.22Å; V189-V191 VanDerWaalsContact C-N 3.31Å; V189-V191 PolarHBondContact O-N 3.29Å; V189-E192 PolarHBondContact O-N 3.13Å; V189-Q193 PolarHBondContact O-N 2.9Å; V189-L200 HydrophobicContact CG1-CD2 3.78Å; V189-L200 HydrophobicContact CG2-CD2 4.39Å; V189-Y203 HydrophobicContact CG2-CD2 3.93Å; V189-Y203 HydrophobicContact CG2-CG 3.83Å; V189-H255 HydrophobicContact CG2-CB 4.43Å |
| 190 | H | 85.8 | Confident | 82.3 | Confident | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | -174.5 | -166.8 | -95.2 | 0 | 0 | 0 | 112.7 | W91 N186 S187 E192 Q193 | W91-H190 HydrophobicContact CH2-CB 4.32Å; W91-H190 AromaticContact CH2-ND1 3.76Å; W91-H190 HydrophobicContact CZ2-CB 3.76Å; W91-H190 AromaticContact CZ2-CG 3.91Å; W91-H190 AromaticContact CZ2-ND1 3.59Å; N186-H190 WeakPolarHBondContact O-CB 3.45Å; N186-H190 PolarHBondContact O-N 3.08Å; S187-H190 PolarHBondContact O-N 3.31Å; H190-E192 PolarHBondContact O-N 3.31Å; H190-Q193 PolarHBondContact CD2-OE1 3.5Å; H190-Q193 VanDerWaalsContact O-CB 3.23Å; H190-Q193 WeakPolarHBondContact O-CB 3.39Å; H190-Q193 PolarHBondContact O-N 3.47Å; H190-Q193 VanDerWaalsContact O-N 3.07Å |
| 191 | V | 84 | Confident | 82.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.9 | -178.6 | 167.5 | 0 | 0 | 0 | 0 | 113.5 | W91 R148 I152 S187 V189 Y194 | W91-V191 HydrophobicContact CH2-CG2 3.34Å; W91-V191 HydrophobicContact CZ2-CG2 4.27Å; W91-V191 HydrophobicContact CZ3-CG2 3.59Å; R148-V191 HydrophobicContact CB-CG1 3.34Å; R148-V191 HydrophobicContact CG-CG1 3.61Å; I152-V191 HydrophobicContact CD1-CB 4.25Å; I152-V191 HydrophobicContact CD1-CG1 4.23Å; I152-V191 HydrophobicContact CD1-CG2 3.74Å; S187-V191 WeakPolarHBondContact O-CB 3.19Å; S187-V191 WeakPolarHBondContact O-CG2 3.41Å; S187-V191 PolarHBondContact O-N 3.27Å; S187-V191 VanDerWaalsContact O-N 3.08Å; V189-V191 VanDerWaalsContact C-N 3.31Å; V189-V191 PolarHBondContact O-N 3.29Å; V191-Y194 WeakPolarHBondContact O-CE1 3.46Å |
| 192 | E | 78.5 | Confident | 81.9 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 8.2 | 172.7 | -72.4 | -149.5 | 139.3 | 0 | 0 | 113.8 | R148 V189 H190 Y194 K195 F202 | R148-E192 IonicContact CZ-OE1 3.7Å; R148-E192 IonicContact NE-OE1 3.26Å; V189-E192 PolarHBondContact O-N 3.13Å; H190-E192 PolarHBondContact O-N 3.31Å; E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.11Å; E192-K195 WeakPolarHBondContact O-CB 3.28Å; E192-K195 PolarHBondContact O-N 2.71Å; E192-K195 IonicContact OE1-NZ 3.36Å; E192-K195 PolarHBondContact OE1-NZ 3.43Å; E192-F202 HydrophobicContact CB-CB 4.49Å; E192-F202 HydrophobicContact CG-CB 3.64Å; E192-F202 HydrophobicContact CG-CG 4.29Å; E192-F202 WeakPolarHBondContact OE2-CB 3.24Å; E192-F202 PolarHBondContact OE2-N 2.94Å |
| 193 | Q | 75.6 | Confident | 81.9 | Confident | 114 Ų | 114 | 51 Ų | 51 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.4 | -177.6 | -175.3 | 172.8 | -14.5 | 0 | 0 | 113.1 | V189 H190 K195 | V189-Q193 PolarHBondContact O-N 2.9Å; H190-Q193 PolarHBondContact CD2-OE1 3.5Å; H190-Q193 VanDerWaalsContact O-CB 3.23Å; H190-Q193 WeakPolarHBondContact O-CB 3.39Å; H190-Q193 PolarHBondContact O-N 3.47Å; H190-Q193 VanDerWaalsContact O-N 3.07Å; Q193-K195 VanDerWaalsContact C-N 3.28Å; Q193-K195 PolarHBondContact O-N 3.47Å |
| 194 | Y | 70.8 | Confident | 81.8 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 176.2 | 66.5 | -97.4 | 0 | 0 | 0 | 113.4 | E141 L144 D145 V191 E192 K196 | E141-Y194 HydrophobicContact CB-CD1 4.44Å; E141-Y194 HydrophobicContact CB-CD2 4.31Å; E141-Y194 HydrophobicContact CB-CG 4.12Å; E141-Y194 HydrophobicContact CG-CD2 4.4Å; E141-Y194 HydrophobicContact CG-CG 4.09Å; L144-Y194 HydrophobicContact CB-CD1 4.17Å; L144-Y194 HydrophobicContact CB-CE1 4.08Å; L144-Y194 HydrophobicContact CD1-CD1 4.08Å; D145-Y194 PolarHBondContact OD1-OH 2.99Å; V191-Y194 WeakPolarHBondContact O-CE1 3.46Å; E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.11Å; Y194-K196 PolarHBondContact O-N 3.19Å |
| 195 | K | 73.6 | Confident | 81.7 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | trans | -81 | 81.7 | 176.2 | -62.7 | -175.3 | -173.6 | 165.4 | 0 | 109.9 | E192 Q193 K197 F198 | E192-K195 WeakPolarHBondContact O-CB 3.28Å; E192-K195 PolarHBondContact O-N 2.71Å; E192-K195 IonicContact OE1-NZ 3.36Å; E192-K195 PolarHBondContact OE1-NZ 3.43Å; Q193-K195 VanDerWaalsContact C-N 3.28Å; Q193-K195 PolarHBondContact O-N 3.47Å; K195-K197 PolarHBondContact O-N 2.82Å; K195-F198 CarbonylContact O-C 3.59Å; K195-F198 PolarHBondContact O-N 3.27Å; K195-F198 VanDerWaalsContact O-N 3.11Å | ||
| 196 | K | 65.8 | Low | 81.5 | Confident | 200 Ų | 200 | 61 Ų | 61 | 87% | 0.87 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -25.9 | -177.2 | -66.5 | -173.5 | 178.4 | -179.7 | 0 | 115.3 | Y194 | Y194-K196 PolarHBondContact O-N 3.19Š|
| 197 | K | 67.3 | Low | 81.6 | Confident | 156 Ų | 156 | 58.3 Ų | 58.3 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -35.2 | -177.8 | -160.9 | 172.7 | -175.6 | 168.3 | 0 | 113.7 | K195 | K195-K197 PolarHBondContact O-N 2.82Š|
| 198 | F | 71.8 | Confident | 81.7 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | trans | -148 | 66.7 | -177.2 | -59.5 | -69 | 0 | 0 | 0 | 112 | K195 L200 K201 | K195-F198 CarbonylContact O-C 3.59Å; K195-F198 PolarHBondContact O-N 3.27Å; K195-F198 VanDerWaalsContact O-N 3.11Å; F198-L200 PolarHBondContact O-N 3.05Å; F198-L200 VanDerWaalsContact O-N 3.1Å; F198-K201 HydrophobicContact CB-CB 4.06Å; F198-K201 PolarHBondContact O-N 2.91Å | ||
| 199 | P | 74.4 | Confident | 81.9 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.7 | -172.2 | 27.3 | -35.8 | 0 | 0 | 0 | 114.5 | ||
| 200 | L | 83.6 | Confident | 82.1 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -3.8 | -176.5 | -60.4 | 177.6 | 0 | 0 | 0 | 113.7 | V189 F198 F202 Y203 Q204 | V189-L200 HydrophobicContact CG1-CD2 3.78Å; V189-L200 HydrophobicContact CG2-CD2 4.39Å; F198-L200 PolarHBondContact O-N 3.05Å; F198-L200 VanDerWaalsContact O-N 3.1Å; L200-F202 VanDerWaalsContact C-N 3.35Å; L200-F202 PolarHBondContact O-N 3.23Å; L200-Y203 PolarHBondContact O-N 3.23Å; L200-Y203 VanDerWaalsContact O-N 3.16Å; L200-Q204 HydrophobicContact CB-CG 4.35Å; L200-Q204 VanDerWaalsContact O-CG 3.25Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.12Å |
| 201 | K | 84.8 | Confident | 82.5 | Confident | 104 Ų | 104 | 59.3 Ų | 59.3 | 45% | 0.452 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | -170.3 | -178.8 | 176.6 | 177.6 | 179.3 | 0 | 111.8 | F198 Y203 Q204 E205 | F198-K201 HydrophobicContact CB-CB 4.06Å; F198-K201 PolarHBondContact O-N 2.91Å; K201-Y203 PolarHBondContact O-N 2.91Å; K201-Q204 PolarHBondContact O-N 3.25Å; K201-E205 WeakPolarHBondContact CE-OE1 3.31Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.62Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.36Å |
| 202 | F | 85.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.3 | -172.9 | -104.6 | 0 | 0 | 0 | 113.3 | R148 I152 F188 E192 L200 Q204 E205 I206 | R148-F202 HydrophobicContact CG-CE2 4.12Å; R148-F202 HydrophobicContact CG-CZ 4.03Å; I152-F202 HydrophobicContact CB-CE1 4.41Å; I152-F202 HydrophobicContact CB-CZ 4.16Å; I152-F202 HydrophobicContact CD1-CE1 4.2Å; I152-F202 HydrophobicContact CG2-CE1 3.71Å; I152-F202 HydrophobicContact CG2-CZ 3.55Å; F188-F202 HydrophobicContact CB-CD1 4.35Å; F188-F202 HydrophobicContact CD1-CE1 4.36Å; E192-F202 HydrophobicContact CB-CB 4.49Å; E192-F202 HydrophobicContact CG-CB 3.64Å; E192-F202 HydrophobicContact CG-CG 4.29Å; E192-F202 WeakPolarHBondContact OE2-CB 3.24Å; E192-F202 PolarHBondContact OE2-N 2.94Å; L200-F202 VanDerWaalsContact C-N 3.35Å; L200-F202 PolarHBondContact O-N 3.23Å; F202-Q204 VanDerWaalsContact C-N 3.29Å; F202-Q204 PolarHBondContact O-N 2.97Å; F202-E205 PolarHBondContact O-N 3.27Å; F202-I206 HydrophobicContact CD1-CG1 4.33Å; F202-I206 HydrophobicContact CD2-CG1 3.74Å; F202-I206 HydrophobicContact CE1-CG1 4.23Å; F202-I206 HydrophobicContact CE2-CD1 4.27Å; F202-I206 HydrophobicContact CE2-CG1 3.63Å; F202-I206 HydrophobicContact CG-CG1 4.1Å; F202-I206 HydrophobicContact CZ-CG1 3.89Å; F202-I206 VanDerWaalsContact O-CB 3.22Å; F202-I206 WeakPolarHBondContact O-CB 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.25Å; F202-I206 WeakPolarHBondContact O-CG1 3.25Å; F202-I206 PolarHBondContact O-N 3.47Å |
| 203 | Y | 89.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 173.8 | 167.3 | -99.1 | 0 | 0 | 0 | 112.1 | I185 F188 V189 L200 K201 F207 E208 H255 S258 | I185-Y203 HydrophobicContact CG2-CD2 4.29Å; I185-Y203 HydrophobicContact CG2-CE2 3.67Å; F188-Y203 HydrophobicContact CB-CD2 4.48Å; V189-Y203 HydrophobicContact CG2-CD2 3.93Å; V189-Y203 HydrophobicContact CG2-CG 3.83Å; L200-Y203 PolarHBondContact O-N 3.23Å; L200-Y203 VanDerWaalsContact O-N 3.16Å; K201-Y203 PolarHBondContact O-N 2.91Å; Y203-F207 HydrophobicContact CD2-CB 4.23Å; Y203-F207 HydrophobicContact CD2-CD1 4.34Å; Y203-F207 HydrophobicContact CE2-CB 4.22Å; Y203-F207 AromaticContact CE2-CD1 3.51Å; Y203-F207 HydrophobicContact CE2-CD1 3.51Å; Y203-F207 HydrophobicContact CE2-CE1 4.31Å; Y203-F207 HydrophobicContact CE2-CG 4.22Å; Y203-F207 PolarHBondContact O-N 3.07Å; Y203-E208 HydrophobicContact CD1-CB 4.44Å; Y203-E208 HydrophobicContact CE1-CB 4Å; Y203-E208 HydrophobicContact CE1-CG 4.25Å; Y203-E208 PolarHBondContact O-N 3.44Å; Y203-H255 HydrophobicContact CE1-CB 4.23Å; Y203-S258 WeakPolarHBondContact CE1-OG 3.32Å; Y203-S258 PolarHBondContact OH-OG 2.82Å |
| 204 | Q | 88.1 | Confident | 84.5 | Confident | 74 Ų | 74 | 64 Ų | 64 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -66.3 | -45.5 | -179.4 | -67.4 | 179.2 | -17.3 | 0 | 0 | 112.4 | L200 K201 F202 E208 G209 | L200-Q204 HydrophobicContact CB-CG 4.35Å; L200-Q204 VanDerWaalsContact O-CG 3.25Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.12Å; K201-Q204 PolarHBondContact O-N 3.25Å; F202-Q204 VanDerWaalsContact C-N 3.29Å; F202-Q204 PolarHBondContact O-N 2.97Å; Q204-E208 VanDerWaalsContact CG-OE2 3.3Å; Q204-E208 WeakPolarHBondContact CG-OE2 3.5Å; Q204-G209 PolarHBondContact O-N 2.85Å |
| 205 | E | 88.1 | Confident | 85.6 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -72.6 | -43.6 | -178.7 | -71.1 | 177.3 | 175.5 | 0 | 0 | 112.4 | K201 F202 | K201-E205 WeakPolarHBondContact CE-OE1 3.31Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.62Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.36Å; F202-E205 PolarHBondContact O-N 3.27Å |
| 206 | I | 87.9 | Confident | 86.5 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -84.1 | -41.1 | -171.3 | -60.2 | -47.2 | 0 | 0 | 0 | 111.8 | Q156 I160 F202 | Q156-I206 HydrophobicContact CB-CG2 4.22Å; Q156-I206 VanDerWaalsContact OE1-CD1 3.23Å; I160-I206 HydrophobicContact CD1-CG2 3.69Å; I160-I206 WeakPolarHBondContact CD1-O 3.41Å; I160-I206 HydrophobicContact CG1-CG2 4.19Å; F202-I206 HydrophobicContact CD1-CG1 4.33Å; F202-I206 HydrophobicContact CD2-CG1 3.74Å; F202-I206 HydrophobicContact CE1-CG1 4.23Å; F202-I206 HydrophobicContact CE2-CD1 4.27Å; F202-I206 HydrophobicContact CE2-CG1 3.63Å; F202-I206 HydrophobicContact CG-CG1 4.1Å; F202-I206 HydrophobicContact CZ-CG1 3.89Å; F202-I206 VanDerWaalsContact O-CB 3.22Å; F202-I206 WeakPolarHBondContact O-CB 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.25Å; F202-I206 WeakPolarHBondContact O-CG1 3.25Å; F202-I206 PolarHBondContact O-N 3.47Å |
| 207 | F | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -116.6 | -50.2 | -172.6 | -176 | -92.6 | 0 | 0 | 0 | 113.8 | L163 I185 F188 Y203 G209 P210 F211 L254 | L163-F207 HydrophobicContact CB-CE2 3.99Å; L163-F207 HydrophobicContact CD1-CD2 4.07Å; L163-F207 HydrophobicContact CD1-CE2 3.86Å; I185-F207 HydrophobicContact CD1-CE1 4.02Å; I185-F207 HydrophobicContact CD1-CE2 4.32Å; I185-F207 HydrophobicContact CD1-CZ 3.7Å; I185-F207 HydrophobicContact CG1-CE1 4.33Å; I185-F207 HydrophobicContact CG1-CE2 4.28Å; I185-F207 HydrophobicContact CG1-CZ 4.07Å; F188-F207 HydrophobicContact CD2-CB 4.13Å; F188-F207 HydrophobicContact CE2-CB 4.45Å; F188-F207 HydrophobicContact CE2-CD2 4.38Å; Y203-F207 HydrophobicContact CD2-CB 4.23Å; Y203-F207 HydrophobicContact CD2-CD1 4.34Å; Y203-F207 HydrophobicContact CE2-CB 4.22Å; Y203-F207 AromaticContact CE2-CD1 3.51Å; Y203-F207 HydrophobicContact CE2-CD1 3.51Å; Y203-F207 HydrophobicContact CE2-CE1 4.31Å; Y203-F207 HydrophobicContact CE2-CG 4.22Å; Y203-F207 PolarHBondContact O-N 3.07Å; F207-G209 PolarHBondContact O-N 2.88Å; F207-P210 WeakPolarHBondContact O-CD 3.46Å; F207-F211 HydrophobicContact CD1-CB 4.21Å; F207-F211 HydrophobicContact CE1-CB 3.9Å; F207-F211 AromaticContact CE1-CD2 3.75Å; F207-F211 HydrophobicContact CE1-CD2 3.75Å; F207-F211 HydrophobicContact CE1-CE2 4.49Å; F207-F211 AromaticContact CE1-CG 3.88Å; F207-F211 HydrophobicContact CE1-CG 3.88Å; F207-F211 HydrophobicContact CE2-CD2 4.47Å; F207-F211 HydrophobicContact CZ-CB 4.2Å; F207-F211 AromaticContact CZ-CD2 3.56Å; F207-F211 HydrophobicContact CZ-CD2 3.56Å; F207-F211 HydrophobicContact CZ-CE2 4.27Å; F207-F211 HydrophobicContact CZ-CG 4.12Å; F207-F211 WeakPolarHBondContact O-CB 3.27Å; F207-F211 PolarHBondContact O-N 3.23Å; F207-L254 HydrophobicContact CE1-CD2 3.58Å; F207-L254 HydrophobicContact CZ-CD2 4.24Å |
| 208 | E | 92.9 | Very high | 89.1 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -59.8 | -45.9 | -172.6 | -163 | -172.3 | -140.1 | 0 | 0 | 112.1 | Y203 Q204 F211 L212 S258 K261 | Y203-E208 HydrophobicContact CD1-CB 4.44Å; Y203-E208 HydrophobicContact CE1-CB 4Å; Y203-E208 HydrophobicContact CE1-CG 4.25Å; Y203-E208 PolarHBondContact O-N 3.44Å; Q204-E208 VanDerWaalsContact CG-OE2 3.3Å; Q204-E208 WeakPolarHBondContact CG-OE2 3.5Å; E208-F211 PolarHBondContact O-N 3.17Å; E208-L212 HydrophobicContact CG-CD1 3.97Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CB 3.31Å; E208-L212 VanDerWaalsContact O-CG 3.25Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 2.92Å; E208-S258 PolarHBondContact OE1-OG 3.31Å; E208-K261 VanDerWaalsContact OE1-CD 3.3Å; E208-K261 WeakPolarHBondContact OE1-CD 3.43Å; E208-K261 IonicContact OE1-NZ 2.58Å; E208-K261 PolarHBondContact OE1-NZ 2.88Å; E208-K261 IonicContact OE2-NZ 2.64Å; E208-K261 PolarHBondContact OE2-NZ 2.84Å |
| 209 | G | 91.7 | Very high | 90.2 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.4 | -56.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q204 F207 F211 L212 T213 | Q204-G209 PolarHBondContact O-N 2.85Å; F207-G209 PolarHBondContact O-N 2.88Å; G209-F211 VanDerWaalsContact C-N 3.29Å; G209-F211 PolarHBondContact O-N 3.24Å; G209-L212 PolarHBondContact O-N 3.13Å; G209-T213 PolarHBondContact O-N 3.3Å; G209-T213 PolarHBondContact O-OG1 2.95Å |
| 210 | P | 92.9 | Very high | 91.1 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 175.2 | -27.4 | 36.3 | 0 | 0 | 0 | 113.4 | I160 L164 F207 T213 K214 | I160-P210 HydrophobicContact CG2-CB 4.21Å; L164-P210 HydrophobicContact CD1-CB 4.36Å; F207-P210 WeakPolarHBondContact O-CD 3.46Å; P210-T213 PolarHBondContact O-N 3.07Å; P210-K214 WeakPolarHBondContact O-CB 2.82Å; P210-K214 WeakPolarHBondContact O-CG 3.41Å; P210-K214 PolarHBondContact O-N 2.78Å |
| 211 | F | 93.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 177.2 | 179.9 | -89.7 | 0 | 0 | 0 | 112.2 | L164 V167 F207 E208 G209 T213 K214 T215 L254 V262 | L164-F211 HydrophobicContact CD2-CB 4.08Å; L164-F211 HydrophobicContact CD2-CD2 3.76Å; L164-F211 HydrophobicContact CD2-CG 4.37Å; V167-F211 HydrophobicContact CG1-CE2 3.96Å; V167-F211 HydrophobicContact CG2-CE2 4.3Å; F207-F211 HydrophobicContact CD1-CB 4.21Å; F207-F211 HydrophobicContact CE1-CB 3.9Å; F207-F211 AromaticContact CE1-CD2 3.75Å; F207-F211 HydrophobicContact CE1-CD2 3.75Å; F207-F211 HydrophobicContact CE1-CE2 4.49Å; F207-F211 AromaticContact CE1-CG 3.88Å; F207-F211 HydrophobicContact CE1-CG 3.88Å; F207-F211 HydrophobicContact CE2-CD2 4.47Å; F207-F211 HydrophobicContact CZ-CB 4.2Å; F207-F211 AromaticContact CZ-CD2 3.56Å; F207-F211 HydrophobicContact CZ-CD2 3.56Å; F207-F211 HydrophobicContact CZ-CE2 4.27Å; F207-F211 HydrophobicContact CZ-CG 4.12Å; F207-F211 WeakPolarHBondContact O-CB 3.27Å; F207-F211 PolarHBondContact O-N 3.23Å; E208-F211 PolarHBondContact O-N 3.17Å; G209-F211 VanDerWaalsContact C-N 3.29Å; G209-F211 PolarHBondContact O-N 3.24Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 3.14Å; F211-K214 PolarHBondContact O-N 3.33Å; F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 3.24Å; F211-T215 PolarHBondContact O-OG1 3.34Å; F211-L254 HydrophobicContact CD1-CD1 4.37Å; F211-L254 HydrophobicContact CE1-CD1 3.62Å; F211-L254 HydrophobicContact CE1-CD2 4.35Å; F211-L254 HydrophobicContact CE2-CD2 4.2Å; F211-L254 HydrophobicContact CZ-CD1 3.79Å; F211-L254 HydrophobicContact CZ-CD2 4.14Å; F211-L254 HydrophobicContact CZ-CG 4.45Å; F211-V262 HydrophobicContact CD1-CG2 3.98Å; F211-V262 HydrophobicContact CE1-CB 4.45Å; F211-V262 HydrophobicContact CE1-CG1 3.94Å; F211-V262 HydrophobicContact CE1-CG2 3.58Å |
| 212 | L | 93.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.9 | -73.2 | 170.8 | 0 | 0 | 0 | 110.9 | E208 G209 K214 T215 G216 K261 V262 | E208-L212 HydrophobicContact CG-CD1 3.97Å; E208-L212 HydrophobicContact CG-CG 4.38Å; E208-L212 WeakPolarHBondContact O-CB 3.31Å; E208-L212 VanDerWaalsContact O-CG 3.25Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 2.92Å; G209-L212 PolarHBondContact O-N 3.13Å; L212-K214 PolarHBondContact O-N 3.21Å; L212-T215 PolarHBondContact O-N 3.19Å; L212-G216 PolarHBondContact O-N 3.3Å; L212-K261 HydrophobicContact CD1-CB 4.4Å; L212-K261 HydrophobicContact CD2-CB 4.22Å; L212-V262 HydrophobicContact CD2-CB 4.22Å; L212-V262 HydrophobicContact CD2-CG2 3.59Å |
| 213 | T | 93.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 179 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | G209 P210 F211 T215 G216 E217 | G209-T213 PolarHBondContact O-N 3.3Å; G209-T213 PolarHBondContact O-OG1 2.95Å; P210-T213 PolarHBondContact O-N 3.07Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 3.14Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 3.41Å; T213-G216 PolarHBondContact O-N 3.01Å; T213-E217 WeakPolarHBondContact O-CG 3.34Å; T213-E217 PolarHBondContact O-N 3.22Å |
| 214 | K | 92.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.9 | -31 | 179.3 | -73.3 | -71.2 | 166.6 | -156.3 | 0 | 113.1 | L164 P210 F211 L212 E217 Y218 | L164-K214 HydrophobicContact CD1-CG 4.16Å; P210-K214 WeakPolarHBondContact O-CB 2.82Å; P210-K214 WeakPolarHBondContact O-CG 3.41Å; P210-K214 PolarHBondContact O-N 2.78Å; F211-K214 PolarHBondContact O-N 3.33Å; L212-K214 PolarHBondContact O-N 3.21Å; K214-E217 WeakPolarHBondContact CD-OE2 3.5Å; K214-E217 IonicContact NZ-OE1 3.29Å; K214-E217 IonicContact NZ-OE2 3.63Å; K214-E217 PolarHBondContact NZ-OE2 3.35Å; K214-Y218 VanDerWaalsContact O-CB 3.28Å; K214-Y218 WeakPolarHBondContact O-CB 3.48Å; K214-Y218 PolarHBondContact O-N 3.12Å |
| 215 | T | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | R171 F211 L212 T213 Y218 Y219 V262 | R171-T215 VanDerWaalsContact NH2-CG2 3.29Å; R171-T215 PolarHBondContact NH2-OG1 2.79Å; F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 3.24Å; F211-T215 PolarHBondContact O-OG1 3.34Å; L212-T215 PolarHBondContact O-N 3.19Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 3.41Å; T215-Y218 PolarHBondContact O-N 3.15Å; T215-Y219 HydrophobicContact CG2-CD2 3.62Å; T215-Y219 HydrophobicContact CG2-CE2 3.7Å; T215-Y219 WeakPolarHBondContact O-CD2 3.41Å; T215-Y219 PolarHBondContact O-N 2.86Å; T215-V262 HydrophobicContact CG2-CG1 4.17Å |
| 216 | G | 93.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L212 T213 Y218 K220 | L212-G216 PolarHBondContact O-N 3.3Å; T213-G216 PolarHBondContact O-N 3.01Å; G216-Y218 PolarHBondContact O-N 2.67Å; G216-K220 WeakPolarHBondContact O-CB 3.34Å; G216-K220 PolarHBondContact O-N 2.96Å |
| 217 | E | 93.4 | Very high | 92.9 | Very high | 84 Ų | 84 | 43 Ų | 43 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.4 | -75.6 | 178.5 | -178 | 0 | 0 | 112.5 | T213 K214 Q221 | T213-E217 WeakPolarHBondContact O-CG 3.34Å; T213-E217 PolarHBondContact O-N 3.22Å; K214-E217 WeakPolarHBondContact CD-OE2 3.5Å; K214-E217 IonicContact NZ-OE1 3.29Å; K214-E217 IonicContact NZ-OE2 3.63Å; K214-E217 PolarHBondContact NZ-OE2 3.35Å; E217-Q221 WeakPolarHBondContact O-CG 3.48Å; E217-Q221 PolarHBondContact O-N 3.23Å |
| 218 | Y | 94.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 51 Ų | 51 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -52.9 | 178.9 | 174.1 | -91.5 | 0 | 0 | 0 | 111.4 | R171 K214 T215 G216 K220 Q221 E222 | R171-Y218 HydrophobicContact CB-CE1 4.16Å; R171-Y218 HydrophobicContact CB-CE2 4.26Å; R171-Y218 HydrophobicContact CG-CE1 4.3Å; K214-Y218 VanDerWaalsContact O-CB 3.28Å; K214-Y218 WeakPolarHBondContact O-CB 3.48Å; K214-Y218 PolarHBondContact O-N 3.12Å; T215-Y218 PolarHBondContact O-N 3.15Å; G216-Y218 PolarHBondContact O-N 2.67Å; Y218-K220 VanDerWaalsContact C-N 3.3Å; Y218-K220 PolarHBondContact O-N 2.97Å; Y218-Q221 PolarHBondContact O-N 2.8Å; Y218-E222 WeakPolarHBondContact CE1-OE2 3.49Å; Y218-E222 VanDerWaalsContact CZ-OE2 3.29Å; Y218-E222 PolarHBondContact O-N 3.34Å; Y218-E222 PolarHBondContact OH-OE2 3.29Å |
| 219 | Y | 94.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.4 | -25.7 | -178.6 | -79.1 | -62.1 | 0 | 0 | 0 | 113.4 | T215 A223 R242 E246 C266 M270 | T215-Y219 HydrophobicContact CG2-CD2 3.62Å; T215-Y219 HydrophobicContact CG2-CE2 3.7Å; T215-Y219 WeakPolarHBondContact O-CD2 3.41Å; T215-Y219 PolarHBondContact O-N 2.86Å; Y219-A223 WeakPolarHBondContact O-CB 3.36Å; Y219-A223 PolarHBondContact O-N 3.37Å; Y219-R242 HydrophobicContact CE1-CB 4.34Å; Y219-E246 HydrophobicContact CE2-CG 4.08Å; Y219-E246 WeakPolarHBondContact OH-CB 3.3Å; Y219-E246 PolarHBondContact OH-OE2 3.29Å; Y219-C266 HydrophobicContact CD2-CB 4.16Å; Y219-C266 WeakPolarHBondContact CD2-SG 3.47Å; Y219-C266 HydrophobicContact CE2-CB 4.36Å; Y219-C266 WeakPolarHBondContact CE2-SG 3.41Å; Y219-M270 HydrophobicContact CD1-CE 3.9Å; Y219-M270 HydrophobicContact CD1-CG 4.07Å; Y219-M270 HydrophobicContact CD1-SD 3.32Å; Y219-M270 WeakPolarHBondContact CD1-SD 3.18Å; Y219-M270 HydrophobicContact CE1-CE 4.28Å; Y219-M270 HydrophobicContact CE1-SD 3.8Å; Y219-M270 HydrophobicContact CG-CG 4.29Å; Y219-M270 HydrophobicContact CG-SD 3.98Å |
| 220 | K | 93.8 | Very high | 92.4 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 170.4 | -177.2 | 176.9 | -178.1 | 177.1 | 0 | 111.9 | G216 Y218 S224 | G216-K220 WeakPolarHBondContact O-CB 3.34Å; G216-K220 PolarHBondContact O-N 2.96Å; Y218-K220 VanDerWaalsContact C-N 3.3Å; Y218-K220 PolarHBondContact O-N 2.97Å; K220-S224 PolarHBondContact O-N 3.48Å; K220-S224 PolarHBondContact O-OG 3.37Å |
| 221 | Q | 92.8 | Very high | 92.1 | Very high | 127 Ų | 127 | 58.4 Ų | 58.4 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.8 | -45.6 | 176.2 | -69.7 | 174.1 | 12.1 | 0 | 0 | 111 | E217 Y218 S224 N225 | E217-Q221 WeakPolarHBondContact O-CG 3.48Å; E217-Q221 PolarHBondContact O-N 3.23Å; Y218-Q221 PolarHBondContact O-N 2.8Å; Q221-S224 PolarHBondContact O-N 3.34Å; Q221-N225 VanDerWaalsContact O-CG 3.28Å; Q221-N225 PolarHBondContact O-N 3.42Å; Q221-N225 PolarHBondContact O-OD1 3.47Å |
| 222 | E | 92.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 178.8 | -172.4 | 169.6 | -166.5 | 0 | 0 | 111.8 | Y218 S224 N225 L226 R242 | Y218-E222 WeakPolarHBondContact CE1-OE2 3.49Å; Y218-E222 VanDerWaalsContact CZ-OE2 3.29Å; Y218-E222 PolarHBondContact O-N 3.34Å; Y218-E222 PolarHBondContact OH-OE2 3.29Å; E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 3.41Å; E222-N225 PolarHBondContact O-N 2.79Å; E222-L226 HydrophobicContact CG-CD1 3.97Å; E222-L226 HydrophobicContact CG-CG 4.15Å; E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 VanDerWaalsContact O-CG 3.28Å; E222-L226 WeakPolarHBondContact O-CG 3.47Å; E222-L226 PolarHBondContact O-N 3.1Å; E222-R242 IonicContact OE1-CZ 3.29Å; E222-R242 IonicContact OE1-NE 2.66Å; E222-R242 PolarHBondContact OE1-NE 3.03Å; E222-R242 IonicContact OE1-NH2 3.54Å; E222-R242 PolarHBondContact OE1-NH2 3.1Å |
| 223 | A | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y219 N225 L226 L227 M270 | Y219-A223 WeakPolarHBondContact O-CB 3.36Å; Y219-A223 PolarHBondContact O-N 3.37Å; A223-N225 PolarHBondContact O-N 3.35Å; A223-L226 PolarHBondContact O-N 3.38Å; A223-L227 VanDerWaalsContact O-CB 3.25Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 2.92Å; A223-M270 HydrophobicContact CB-CB 4.47Å; A223-M270 HydrophobicContact CB-CG 4.3Å |
| 224 | S | 91.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 59 Ų | 59 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | K220 Q221 E222 Q228 | K220-S224 PolarHBondContact O-N 3.48Å; K220-S224 PolarHBondContact O-OG 3.37Å; Q221-S224 PolarHBondContact O-N 3.34Å; E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 3.41Å; S224-Q228 WeakPolarHBondContact O-CG 3.35Å; S224-Q228 PolarHBondContact O-N 3.49Å |
| 225 | N | 91.9 | Very high | 91.2 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 177.4 | -65.2 | -11.4 | 0 | 0 | 0 | 111.2 | Q221 E222 A223 L227 Q228 E229 | Q221-N225 VanDerWaalsContact O-CG 3.28Å; Q221-N225 PolarHBondContact O-N 3.42Å; Q221-N225 PolarHBondContact O-OD1 3.47Å; E222-N225 PolarHBondContact O-N 2.79Å; A223-N225 PolarHBondContact O-N 3.35Å; N225-L227 VanDerWaalsContact C-N 3.26Å; N225-L227 PolarHBondContact O-N 3.11Å; N225-Q228 PolarHBondContact O-N 2.72Å; N225-Q228 VanDerWaalsContact O-N 3.11Å; N225-E229 WeakPolarHBondContact O-CG 3.35Å; N225-E229 PolarHBondContact O-N 2.69Å |
| 226 | L | 91.9 | Very high | 91 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 178.9 | -73 | 178.9 | 0 | 0 | 0 | 111.9 | E222 A223 Q228 E229 S230 Y235 K238 M270 | E222-L226 HydrophobicContact CG-CD1 3.97Å; E222-L226 HydrophobicContact CG-CG 4.15Å; E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 VanDerWaalsContact O-CG 3.28Å; E222-L226 WeakPolarHBondContact O-CG 3.47Å; E222-L226 PolarHBondContact O-N 3.1Å; A223-L226 PolarHBondContact O-N 3.38Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-E229 PolarHBondContact O-N 2.87Å; L226-S230 WeakPolarHBondContact O-CB 3.42Å; L226-S230 PolarHBondContact O-N 3.23Å; L226-S230 PolarHBondContact O-OG 2.97Å; L226-Y235 HydrophobicContact CB-CD2 3.8Å; L226-Y235 HydrophobicContact CB-CE2 3.86Å; L226-K238 HydrophobicContact CD1-CB 4.4Å; L226-K238 HydrophobicContact CD2-CD 3.71Å; L226-M270 HydrophobicContact CD1-CE 4.28Å |
| 227 | L | 89.9 | Confident | 90.9 | Very high | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -31.8 | 177.8 | -172.2 | 66.3 | 0 | 0 | 0 | 112.6 | A223 N225 Y235 F277 | A223-L227 VanDerWaalsContact O-CB 3.25Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 PolarHBondContact O-N 2.92Å; N225-L227 VanDerWaalsContact C-N 3.26Å; N225-L227 PolarHBondContact O-N 3.11Å; L227-Y235 HydrophobicContact CB-CD2 4.4Å; L227-Y235 HydrophobicContact CB-CE2 4.15Å; L227-Y235 HydrophobicContact CD1-CD2 4.47Å; L227-F277 HydrophobicContact CD1-CD1 3.41Å; L227-F277 VanDerWaalsContact CD1-CD1 3.41Å; L227-F277 HydrophobicContact CD1-CD2 4.06Å; L227-F277 HydrophobicContact CD1-CE1 3.36Å; L227-F277 HydrophobicContact CD1-CE2 4.02Å; L227-F277 HydrophobicContact CD1-CG 3.77Å; L227-F277 HydrophobicContact CD1-CZ 3.67Å |
| 228 | Q | 89.9 | Confident | 90.9 | Very high | 167 Ų | 167 | 60.2 Ų | 60.2 | 78% | 0.78 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.1 | -33.7 | 176.3 | -71.3 | 178.3 | 6.6 | 0 | 0 | 112.6 | S224 N225 L226 | S224-Q228 WeakPolarHBondContact O-CG 3.35Å; S224-Q228 PolarHBondContact O-N 3.49Å; N225-Q228 PolarHBondContact O-N 2.72Å; N225-Q228 VanDerWaalsContact O-N 3.11Å; L226-Q228 VanDerWaalsContact C-N 3.33Å |
| 229 | E | 90.2 | Very high | 90.8 | Very high | 150 Ų | 150 | 58.1 Ų | 58.1 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -92.2 | -24.8 | -173.1 | -68.6 | 177 | -177.5 | 0 | 0 | 114.3 | N225 L226 | N225-E229 WeakPolarHBondContact O-CG 3.35Å; N225-E229 PolarHBondContact O-N 2.69Å; L226-E229 PolarHBondContact O-N 2.87Å |
| 230 | S | 86.3 | Confident | 90.7 | Very high | 11 Ų | 11 | 60 Ų | 60 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -119.8 | 152.5 | -168.1 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | L226 K238 | L226-S230 WeakPolarHBondContact O-CB 3.42Å; L226-S230 PolarHBondContact O-N 3.23Å; L226-S230 PolarHBondContact O-OG 2.97Å; S230-K238 PolarHBondContact OG-NZ 2.9Å |
| 231 | N | 87.1 | Confident | 90.7 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | trans | -74.1 | 169.5 | 167.9 | 71.2 | 16.6 | 0 | 0 | 0 | 111.1 | S233 Q234 Y235 | N231-S233 PolarHBondContact O-N 3.14Å; N231-S233 PolarHBondContact OD1-N 3.42Å; N231-Q234 PolarHBondContact O-N 3.45Å; N231-Q234 WeakPolarHBondContact OD1-CB 3.47Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.15Å; N231-Q234 PolarHBondContact OD1-N 2.86Å; N231-Y235 VanDerWaalsContact O-CB 3.26Å; N231-Y235 WeakPolarHBondContact O-CB 3.41Å; N231-Y235 PolarHBondContact O-N 3.46Å | ||
| 232 | C | 86.6 | Confident | 90.6 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -43.1 | -176.4 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | Y235 M236 F277 E281 | C232-Y235 WeakPolarHBondContact O-CB 3.5Å; C232-Y235 PolarHBondContact O-N 2.81Å; C232-M236 WeakPolarHBondContact O-CG 3.31Å; C232-M236 PolarHBondContact O-N 3.29Å; C232-F277 HydrophobicContact CB-CE1 3.92Å; C232-F277 HydrophobicContact CB-CZ 3.8Å; C232-E281 HydrophobicContact CB-CB 4.21Å; C232-E281 HydrophobicContact CB-CG 3.92Å |
| 233 | S | 86.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -52.3 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | N231 Y235 M236 E237 D301 | N231-S233 PolarHBondContact O-N 3.14Å; N231-S233 PolarHBondContact OD1-N 3.42Å; S233-Y235 VanDerWaalsContact C-N 3.31Å; S233-Y235 PolarHBondContact O-N 3.24Å; S233-M236 PolarHBondContact O-N 3.26Å; S233-E237 PolarHBondContact O-N 3.38Å; S233-D301 WeakPolarHBondContact CB-OD1 3.4Å; S233-D301 WeakPolarHBondContact CB-OD2 3.46Å; S233-D301 PolarHBondContact OG-OD1 3.39Å; S233-D301 PolarHBondContact OG-OD2 2.91Å |
| 234 | Q | 88.4 | Confident | 90.6 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 177.7 | -70 | 169.4 | -6.5 | 0 | 0 | 111.9 | N231 K238 | N231-Q234 PolarHBondContact O-N 3.45Å; N231-Q234 WeakPolarHBondContact OD1-CB 3.47Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.15Å; N231-Q234 PolarHBondContact OD1-N 2.86Å; Q234-K238 WeakPolarHBondContact O-CB 3.28Å; Q234-K238 VanDerWaalsContact O-CG 3.23Å; Q234-K238 WeakPolarHBondContact O-CG 3.5Å; Q234-K238 PolarHBondContact O-N 2.89Å |
| 235 | Y | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -50.9 | 174.1 | 178.5 | -97.1 | 0 | 0 | 0 | 110.4 | L226 L227 N231 C232 S233 E237 K238 V239 M270 L278 | L226-Y235 HydrophobicContact CB-CD2 3.8Å; L226-Y235 HydrophobicContact CB-CE2 3.86Å; L227-Y235 HydrophobicContact CB-CD2 4.4Å; L227-Y235 HydrophobicContact CB-CE2 4.15Å; L227-Y235 HydrophobicContact CD1-CD2 4.47Å; N231-Y235 VanDerWaalsContact O-CB 3.26Å; N231-Y235 WeakPolarHBondContact O-CB 3.41Å; N231-Y235 PolarHBondContact O-N 3.46Å; C232-Y235 WeakPolarHBondContact O-CB 3.5Å; C232-Y235 PolarHBondContact O-N 2.81Å; S233-Y235 VanDerWaalsContact C-N 3.31Å; S233-Y235 PolarHBondContact O-N 3.24Å; Y235-E237 PolarHBondContact O-N 3.1Å; Y235-K238 PolarHBondContact O-N 3.14Å; Y235-V239 HydrophobicContact CD1-CG2 4Å; Y235-V239 HydrophobicContact CD2-CG2 4.28Å; Y235-V239 HydrophobicContact CE1-CG2 3.66Å; Y235-V239 HydrophobicContact CE2-CG2 3.97Å; Y235-V239 HydrophobicContact CG-CG2 4.29Å; Y235-V239 WeakPolarHBondContact O-CB 3.33Å; Y235-V239 WeakPolarHBondContact O-CG2 3.46Å; Y235-V239 PolarHBondContact O-N 2.88Å; Y235-M270 PolarHBondContact OH-O 3.11Å; Y235-L278 HydrophobicContact CD1-CD2 4.34Å |
| 236 | M | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 179 | -68.2 | -173.8 | -66.7 | 0 | 0 | 112.3 | C232 S233 V239 L240 L278 I285 D301 N304 M305 L308 | C232-M236 WeakPolarHBondContact O-CG 3.31Å; C232-M236 PolarHBondContact O-N 3.29Å; S233-M236 PolarHBondContact O-N 3.26Å; M236-V239 PolarHBondContact O-N 2.86Å; M236-L240 WeakPolarHBondContact O-CB 3.44Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 2.91Å; M236-L278 HydrophobicContact CG-CD2 4.08Å; M236-L278 HydrophobicContact SD-CD2 4.42Å; M236-I285 HydrophobicContact CE-CD1 4.01Å; M236-D301 HydrophobicContact CE-CB 4.2Å; M236-D301 WeakPolarHBondContact CE-O 3.31Å; M236-N304 HydrophobicContact CB-CB 4.21Å; M236-N304 HydrophobicContact SD-CB 4.49Å; M236-M305 HydrophobicContact CE-CB 4.45Å; M236-M305 HydrophobicContact CE-CE 4.12Å; M236-M305 HydrophobicContact SD-CB 3.7Å; M236-M305 HydrophobicContact SD-CE 3.45Å; M236-M305 WeakPolarHBondContact SD-CE 3.42Å; M236-M305 HydrophobicContact SD-CG 4.32Å; M236-M305 HydrophobicContact SD-SD 3.74Å; M236-L308 HydrophobicContact CB-CD1 3.65Å; M236-L308 HydrophobicContact CG-CD1 3.64Å; M236-L308 HydrophobicContact SD-CD1 4.37Å |
| 237 | E | 91.5 | Very high | 90.7 | Very high | 131 Ų | 131 | 61.8 Ų | 61.8 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | 178.5 | -172.5 | -178.9 | -168.6 | 0 | 0 | 111.7 | S233 Y235 V239 L240 G241 | S233-E237 PolarHBondContact O-N 3.38Å; Y235-E237 PolarHBondContact O-N 3.1Å; E237-V239 PolarHBondContact O-N 2.85Å; E237-L240 PolarHBondContact O-N 3.49Å; E237-G241 PolarHBondContact O-N 3.45Å |
| 238 | K | 91.6 | Very high | 90.8 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177 | -72.4 | 178 | -174.9 | 176.6 | 0 | 111.6 | L226 S230 Q234 Y235 G241 R242 | L226-K238 HydrophobicContact CD1-CB 4.4Å; L226-K238 HydrophobicContact CD2-CD 3.71Å; S230-K238 PolarHBondContact OG-NZ 2.9Å; Q234-K238 WeakPolarHBondContact O-CB 3.28Å; Q234-K238 VanDerWaalsContact O-CG 3.23Å; Q234-K238 WeakPolarHBondContact O-CG 3.5Å; Q234-K238 PolarHBondContact O-N 2.89Å; Y235-K238 PolarHBondContact O-N 3.14Å; K238-G241 PolarHBondContact O-N 3.19Å; K238-R242 WeakPolarHBondContact O-CB 3.35Å; K238-R242 VanDerWaalsContact O-CG 3.28Å; K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 3.31Å |
| 239 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | Y235 M236 E237 G241 R242 L243 M270 V271 L308 | Y235-V239 HydrophobicContact CD1-CG2 4Å; Y235-V239 HydrophobicContact CD2-CG2 4.28Å; Y235-V239 HydrophobicContact CE1-CG2 3.66Å; Y235-V239 HydrophobicContact CE2-CG2 3.97Å; Y235-V239 HydrophobicContact CG-CG2 4.29Å; Y235-V239 WeakPolarHBondContact O-CB 3.33Å; Y235-V239 WeakPolarHBondContact O-CG2 3.46Å; Y235-V239 PolarHBondContact O-N 2.88Å; M236-V239 PolarHBondContact O-N 2.86Å; E237-V239 PolarHBondContact O-N 2.85Å; V239-G241 VanDerWaalsContact C-N 3.34Å; V239-G241 PolarHBondContact O-N 2.89Å; V239-R242 PolarHBondContact O-N 2.88Å; V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.38Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.3Å; V239-M270 HydrophobicContact CB-CE 4.27Å; V239-M270 HydrophobicContact CG1-CB 3.86Å; V239-M270 HydrophobicContact CG1-CE 4.21Å; V239-M270 HydrophobicContact CG1-SD 4.31Å; V239-M270 HydrophobicContact CG2-CB 4.39Å; V239-M270 HydrophobicContact CG2-CE 3.91Å; V239-V271 HydrophobicContact CG1-CG2 4.08Å; V239-L308 HydrophobicContact CG1-CD2 3.98Å |
| 240 | L | 92.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.3 | -76.1 | 169.1 | 0 | 0 | 0 | 112 | M236 E237 L243 K244 N304 T307 L308 | M236-L240 WeakPolarHBondContact O-CB 3.44Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 2.91Å; E237-L240 PolarHBondContact O-N 3.49Å; L240-L243 PolarHBondContact O-N 2.64Å; L240-K244 PolarHBondContact O-N 2.78Å; L240-K244 VanDerWaalsContact O-N 3.11Å; L240-N304 HydrophobicContact CD1-CB 3.74Å; L240-N304 VanDerWaalsContact CD1-OD1 3.29Å; L240-N304 WeakPolarHBondContact CD1-OD1 3.4Å; L240-T307 HydrophobicContact CD2-CG2 3.98Å; L240-L308 HydrophobicContact CD1-CG 4.47Å; L240-L308 HydrophobicContact CD2-CD2 3.5Å; L240-L308 HydrophobicContact CD2-CG 3.95Å; L240-L308 HydrophobicContact CG-CD1 4.35Å; L240-L308 HydrophobicContact CG-CD2 3.8Å; L240-L308 HydrophobicContact CG-CG 4.04Å |
| 241 | G | 92.9 | Very high | 91 | Very high | 30 Ų | 30 | 56 Ų | 56 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | E237 K238 V239 L243 K244 D245 | E237-G241 PolarHBondContact O-N 3.45Å; K238-G241 PolarHBondContact O-N 3.19Å; V239-G241 VanDerWaalsContact C-N 3.34Å; V239-G241 PolarHBondContact O-N 2.89Å; G241-L243 PolarHBondContact O-N 2.84Å; G241-K244 WeakPolarHBondContact O-CB 3.4Å; G241-K244 PolarHBondContact O-N 2.84Å; G241-K244 VanDerWaalsContact O-N 3.16Å; G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 3.26Å |
| 242 | R | 92.2 | Very high | 91.1 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 178.8 | -72.5 | -62.7 | -170.9 | -125.2 | 2.3 | 113.6 | Y219 E222 K238 V239 K244 D245 E246 M270 | Y219-R242 HydrophobicContact CE1-CB 4.34Å; E222-R242 IonicContact OE1-CZ 3.29Å; E222-R242 IonicContact OE1-NE 2.66Å; E222-R242 PolarHBondContact OE1-NE 3.03Å; E222-R242 IonicContact OE1-NH2 3.54Å; E222-R242 PolarHBondContact OE1-NH2 3.1Å; K238-R242 WeakPolarHBondContact O-CB 3.35Å; K238-R242 VanDerWaalsContact O-CG 3.28Å; K238-R242 WeakPolarHBondContact O-CG 3.45Å; K238-R242 PolarHBondContact O-N 3.31Å; V239-R242 PolarHBondContact O-N 2.88Å; R242-K244 VanDerWaalsContact C-N 3.3Å; R242-K244 PolarHBondContact O-N 3.33Å; R242-D245 IonicContact NH1-OD2 2.9Å; R242-D245 PolarHBondContact O-N 3.43Å; R242-E246 WeakPolarHBondContact O-CB 3.46Å; R242-E246 PolarHBondContact O-N 2.86Å; R242-M270 HydrophobicContact CB-CE 3.9Å; R242-M270 HydrophobicContact CB-SD 4.4Å; R242-M270 HydrophobicContact CG-CE 4.2Å |
| 243 | L | 92.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.4 | -70.7 | 175.1 | 0 | 0 | 0 | 111.4 | V239 L240 G241 E246 E247 C266 Q267 L308 | V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.38Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.3Å; L240-L243 PolarHBondContact O-N 2.64Å; G241-L243 PolarHBondContact O-N 2.84Å; L243-E246 PolarHBondContact O-N 3.16Å; L243-E247 WeakPolarHBondContact O-CB 3.34Å; L243-E247 PolarHBondContact O-N 3.27Å; L243-C266 HydrophobicContact CD2-CB 3.57Å; L243-Q267 HydrophobicContact CD1-CG 3.96Å; L243-Q267 HydrophobicContact CD2-CG 3.9Å; L243-L308 HydrophobicContact CD1-CD2 4.09Å |
| 244 | K | 92.4 | Very high | 91.2 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | 176.3 | -170.9 | 176.6 | -178.2 | 179.2 | 0 | 112 | L240 G241 R242 E246 E247 V248 | L240-K244 PolarHBondContact O-N 2.78Å; L240-K244 VanDerWaalsContact O-N 3.11Å; G241-K244 WeakPolarHBondContact O-CB 3.4Å; G241-K244 PolarHBondContact O-N 2.84Å; G241-K244 VanDerWaalsContact O-N 3.16Å; R242-K244 VanDerWaalsContact C-N 3.3Å; R242-K244 PolarHBondContact O-N 3.33Å; K244-E246 VanDerWaalsContact C-N 3.32Å; K244-E246 PolarHBondContact O-N 2.95Å; K244-E247 PolarHBondContact O-N 2.64Å; K244-V248 WeakPolarHBondContact O-CG2 3.49Å; K244-V248 PolarHBondContact O-N 3.14Å |
| 245 | D | 91.8 | Very high | 91.3 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.7 | -68 | -21.2 | 0 | 0 | 0 | 111 | G241 R242 V248 R249 | G241-D245 VanDerWaalsContact O-CG 3.29Å; G241-D245 PolarHBondContact O-N 3.26Å; R242-D245 IonicContact NH1-OD2 2.9Å; R242-D245 PolarHBondContact O-N 3.43Å; D245-V248 PolarHBondContact O-N 2.91Å; D245-R249 VanDerWaalsContact O-CB 3.31Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.46Å |
| 246 | E | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 178.2 | -166.6 | 64 | -172.2 | 0 | 0 | 112 | R171 Y219 R242 L243 K244 R249 C250 V262 I263 | R171-E246 IonicContact CZ-OE1 2.78Å; R171-E246 IonicContact CZ-OE2 2.95Å; R171-E246 IonicContact NE-OE1 3.31Å; R171-E246 IonicContact NE-OE2 3.29Å; R171-E246 PolarHBondContact NE-OE2 3.14Å; R171-E246 IonicContact NH2-OE1 3.96Å; R171-E246 PolarHBondContact NH2-OE1 3.43Å; R171-E246 IonicContact NH2-OE2 3.4Å; Y219-E246 HydrophobicContact CE2-CG 4.08Å; Y219-E246 WeakPolarHBondContact OH-CB 3.3Å; Y219-E246 PolarHBondContact OH-OE2 3.29Å; R242-E246 WeakPolarHBondContact O-CB 3.46Å; R242-E246 PolarHBondContact O-N 2.86Å; L243-E246 PolarHBondContact O-N 3.16Å; K244-E246 VanDerWaalsContact C-N 3.32Å; K244-E246 PolarHBondContact O-N 2.95Å; E246-R249 PolarHBondContact O-N 2.76Å; E246-R249 VanDerWaalsContact OE2-CD 3.29Å; E246-R249 WeakPolarHBondContact OE2-CD 3.31Å; E246-R249 IonicContact OE2-NE 2.97Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E246-C250 WeakPolarHBondContact O-CB 3.29Å; E246-C250 PolarHBondContact O-N 2.75Å; E246-C250 PolarHBondContact O-SG 3.48Å; E246-V262 HydrophobicContact CG-CG1 4.17Å; E246-I263 HydrophobicContact CB-CD1 4.4Å; E246-I263 HydrophobicContact CG-CD1 4.48Å |
| 247 | E | 91.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 38% | 0.379 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 173.9 | -169.8 | -172.8 | 173.9 | 0 | 0 | 111.5 | L243 K244 R249 C250 R251 I263 | L243-E247 WeakPolarHBondContact O-CB 3.34Å; L243-E247 PolarHBondContact O-N 3.27Å; K244-E247 PolarHBondContact O-N 2.64Å; E247-R249 VanDerWaalsContact C-N 3.31Å; E247-R249 PolarHBondContact O-N 3.47Å; E247-C250 PolarHBondContact O-N 3Å; E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.31Å; E247-R251 VanDerWaalsContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 3.71Å; E247-R251 IonicContact OE1-NE 2.77Å; E247-R251 PolarHBondContact OE1-NE 3.07Å; E247-R251 IonicContact OE1-NH2 3.74Å; E247-R251 PolarHBondContact OE1-NH2 3.03Å; E247-I263 HydrophobicContact CB-CD1 3.89Å; E247-I263 HydrophobicContact CG-CD1 4.49Å |
| 248 | V | 91.7 | Very high | 91.2 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.418 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | K244 D245 R251 K252 | K244-V248 WeakPolarHBondContact O-CG2 3.49Å; K244-V248 PolarHBondContact O-N 3.14Å; D245-V248 PolarHBondContact O-N 2.91Å; V248-R251 PolarHBondContact O-N 3.48Å; V248-K252 HydrophobicContact CG1-CD 4.44Å; V248-K252 WeakPolarHBondContact O-CG 3.3Å; V248-K252 PolarHBondContact O-N 2.58Å; V248-K252 VanDerWaalsContact O-N 3.12Å |
| 249 | R | 91.1 | Very high | 91.2 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.2 | -172.1 | -172 | -59.6 | -107.4 | -17 | 112.8 | V167 D170 R171 D245 E246 E247 R251 K252 Y253 | V167-R249 PolarHBondContact O-NH1 3.12Å; D170-R249 VanDerWaalsContact C-NH2 3.3Å; D170-R249 VanDerWaalsContact CG-CZ 3.41Å; D170-R249 PolarHBondContact O-NH2 3.13Å; D170-R249 IonicContact OD1-CZ 3.45Å; D170-R249 VanDerWaalsContact OD1-CZ 3.29Å; D170-R249 IonicContact OD1-NH1 3.06Å; D170-R249 PolarHBondContact OD1-NH1 3.45Å; D170-R249 IonicContact OD1-NH2 3.39Å; D170-R249 PolarHBondContact OD1-NH2 3.09Å; D170-R249 IonicContact OD2-CZ 3.99Å; D170-R249 IonicContact OD2-NH1 3.12Å; D170-R249 PolarHBondContact OD2-NH1 3.22Å; R171-R249 VanDerWaalsContact CG-CZ 3.47Å; D245-R249 VanDerWaalsContact O-CB 3.31Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.46Å; E246-R249 PolarHBondContact O-N 2.76Å; E246-R249 VanDerWaalsContact OE2-CD 3.29Å; E246-R249 WeakPolarHBondContact OE2-CD 3.31Å; E246-R249 IonicContact OE2-NE 2.97Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E247-R249 VanDerWaalsContact C-N 3.31Å; E247-R249 PolarHBondContact O-N 3.47Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.49Å; R249-K252 WeakPolarHBondContact O-CB 3.05Å; R249-K252 PolarHBondContact O-N 3.35Å; R249-K252 VanDerWaalsContact O-N 3.08Å; R249-Y253 HydrophobicContact CG-CD2 3.77Å; R249-Y253 HydrophobicContact CG-CE2 3.58Å; R249-Y253 PolarHBondContact O-N 2.72Å; R249-Y253 VanDerWaalsContact O-N 3.17Å |
| 250 | C | 91.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 174.6 | -74.3 | 0 | 0 | 0 | 0 | 110.6 | E246 E247 K252 Y253 L254 Y259 V262 | E246-C250 WeakPolarHBondContact O-CB 3.29Å; E246-C250 PolarHBondContact O-N 2.75Å; E246-C250 PolarHBondContact O-SG 3.48Å; E247-C250 PolarHBondContact O-N 3Å; C250-K252 VanDerWaalsContact C-N 3.26Å; C250-K252 PolarHBondContact O-N 3.23Å; C250-Y253 PolarHBondContact O-N 3.02Å; C250-L254 HydrophobicContact CB-CD1 4.07Å; C250-L254 WeakPolarHBondContact O-CB 3.46Å; C250-L254 PolarHBondContact O-N 3.09Å; C250-Y259 HydrophobicContact CB-CD1 3.88Å; C250-Y259 HydrophobicContact CB-CE1 4.36Å; C250-Y259 WeakPolarHBondContact O-CE1 3.33Å; C250-V262 VanDerWaalsContact SG-CG1 3.57Å |
| 251 | R | 89.8 | Confident | 91.2 | Very high | 156 Ų | 156 | 56.2 Ų | 56.2 | 59% | 0.589 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.6 | -24.2 | 178.4 | -67.2 | 171.9 | -177.1 | -127.9 | 6.7 | 113.8 | E247 V248 R249 Y259 | E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.31Å; E247-R251 VanDerWaalsContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 3.71Å; E247-R251 IonicContact OE1-NE 2.77Å; E247-R251 PolarHBondContact OE1-NE 3.07Å; E247-R251 IonicContact OE1-NH2 3.74Å; E247-R251 PolarHBondContact OE1-NH2 3.03Å; V248-R251 PolarHBondContact O-N 3.48Å; R249-R251 VanDerWaalsContact C-N 3.28Å; R249-R251 PolarHBondContact O-N 3.49Å; R251-Y259 HydrophobicContact CG-CD2 4.44Å; R251-Y259 HydrophobicContact CG-CE2 4.06Å |
| 252 | K | 88.6 | Confident | 91.3 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.2 | -39.6 | 176.5 | -73.2 | 173.2 | 177.9 | 178.7 | 0 | 112.7 | H182 V248 R249 C250 | H182-K252 PolarHBondContact ND1-O 2.96Å; V248-K252 HydrophobicContact CG1-CD 4.44Å; V248-K252 WeakPolarHBondContact O-CG 3.3Å; V248-K252 PolarHBondContact O-N 2.58Å; V248-K252 VanDerWaalsContact O-N 3.12Å; R249-K252 WeakPolarHBondContact O-CB 3.05Å; R249-K252 PolarHBondContact O-N 3.35Å; R249-K252 VanDerWaalsContact O-N 3.08Å; C250-K252 VanDerWaalsContact C-N 3.26Å; C250-K252 PolarHBondContact O-N 3.23Å |
| 253 | Y | 86.6 | Confident | 91.3 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -114.3 | -37.9 | -167.9 | -53.7 | -38.3 | 0 | 0 | 0 | 115 | V167 D170 Q178 I181 H182 R249 C250 | V167-Y253 HydrophobicContact CG2-CD2 4.5Å; D170-Y253 WeakPolarHBondContact OD2-CE2 3.31Å; D170-Y253 VanDerWaalsContact OD2-CZ 3.27Å; D170-Y253 PolarHBondContact OD2-OH 2.88Å; Q178-Y253 HydrophobicContact CB-CE1 3.77Å; Q178-Y253 HydrophobicContact CG-CE1 3.8Å; I181-Y253 HydrophobicContact CB-CD1 4.2Å; I181-Y253 HydrophobicContact CD1-CE1 4.49Å; I181-Y253 HydrophobicContact CG2-CD1 3.9Å; I181-Y253 HydrophobicContact CG2-CD2 4.4Å; I181-Y253 HydrophobicContact CG2-CG 3.86Å; H182-Y253 PolarHBondContact ND1-O 2.73Å; R249-Y253 HydrophobicContact CG-CD2 3.77Å; R249-Y253 HydrophobicContact CG-CE2 3.58Å; R249-Y253 PolarHBondContact O-N 2.72Å; R249-Y253 VanDerWaalsContact O-N 3.17Å; C250-Y253 PolarHBondContact O-N 3.02Å |
| 254 | L | 89.3 | Confident | 91.3 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -92.7 | 164.8 | -164.9 | -55.4 | 179.4 | 0 | 0 | 0 | 112.4 | I185 F207 F211 C250 Y259 V262 | I185-L254 HydrophobicContact CD1-CD2 4.29Å; F207-L254 HydrophobicContact CE1-CD2 3.58Å; F207-L254 HydrophobicContact CZ-CD2 4.24Å; F211-L254 HydrophobicContact CD1-CD1 4.37Å; F211-L254 HydrophobicContact CE1-CD1 3.62Å; F211-L254 HydrophobicContact CE1-CD2 4.35Å; F211-L254 HydrophobicContact CE2-CD2 4.2Å; F211-L254 HydrophobicContact CZ-CD1 3.79Å; F211-L254 HydrophobicContact CZ-CD2 4.14Å; F211-L254 HydrophobicContact CZ-CG 4.45Å; C250-L254 HydrophobicContact CB-CD1 4.07Å; C250-L254 WeakPolarHBondContact O-CB 3.46Å; C250-L254 PolarHBondContact O-N 3.09Å; L254-Y259 HydrophobicContact CB-CD1 4.34Å; L254-Y259 HydrophobicContact CB-CE1 4.03Å; L254-Y259 WeakPolarHBondContact O-CE1 3.43Å; L254-Y259 PolarHBondContact O-OH 2.68Å; L254-V262 HydrophobicContact CD1-CG2 3.91Å |
| 255 | H | 90.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | trans | -75.5 | 144.9 | 168.6 | -174.9 | -96.9 | 0 | 0 | 0 | 110.6 | V189 Y203 S257 S258 Y259 | V189-H255 HydrophobicContact CG2-CB 4.43Å; Y203-H255 HydrophobicContact CE1-CB 4.23Å; H255-S257 WeakPolarHBondContact ND1-CB 3.35Å; H255-S257 PolarHBondContact ND1-N 3.12Å; H255-S257 PolarHBondContact ND1-OG 3.4Å; H255-S257 PolarHBondContact O-N 3.13Å; H255-S258 PolarHBondContact O-N 2.98Å; H255-Y259 WeakPolarHBondContact O-CE1 3.46Å | ||
| 256 | P | 90.8 | Very high | 91.4 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.8 | -24.7 | -178.2 | -29.2 | 35.5 | 0 | 0 | 0 | 116.6 | S258 Y259 | P256-S258 PolarHBondContact O-N 3.33Å; P256-Y259 VanDerWaalsContact CA-CZ 3.49Å; P256-Y259 HydrophobicContact CB-CD2 4.21Å; P256-Y259 HydrophobicContact CB-CE2 3.81Å; P256-Y259 HydrophobicContact CG-CE2 4.02Å; P256-Y259 PolarHBondContact O-N 3.02Å |
| 257 | S | 90.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -24 | 175.5 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | H255 | H255-S257 WeakPolarHBondContact ND1-CB 3.35Å; H255-S257 PolarHBondContact ND1-N 3.12Å; H255-S257 PolarHBondContact ND1-OG 3.4Å; H255-S257 PolarHBondContact O-N 3.13Å |
| 258 | S | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -92.8 | -19.9 | -173.7 | -46.9 | 0 | 0 | 0 | 0 | 112.5 | Y203 E208 H255 P256 A260 K261 V262 | Y203-S258 WeakPolarHBondContact CE1-OG 3.32Å; Y203-S258 PolarHBondContact OH-OG 2.82Å; E208-S258 PolarHBondContact OE1-OG 3.31Å; H255-S258 PolarHBondContact O-N 2.98Å; P256-S258 PolarHBondContact O-N 3.33Å; S258-A260 PolarHBondContact O-N 3.24Å; S258-K261 PolarHBondContact O-N 3.42Å; S258-K261 VanDerWaalsContact O-N 3.12Å; S258-V262 VanDerWaalsContact O-CG2 3.3Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.37Å |
| 259 | Y | 91.7 | Very high | 91.4 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.2 | -52.2 | -171.2 | -60.6 | -10.7 | 0 | 0 | 0 | 111.7 | C250 R251 L254 H255 P256 K261 V262 I263 | C250-Y259 HydrophobicContact CB-CD1 3.88Å; C250-Y259 HydrophobicContact CB-CE1 4.36Å; C250-Y259 WeakPolarHBondContact O-CE1 3.33Å; R251-Y259 HydrophobicContact CG-CD2 4.44Å; R251-Y259 HydrophobicContact CG-CE2 4.06Å; L254-Y259 HydrophobicContact CB-CD1 4.34Å; L254-Y259 HydrophobicContact CB-CE1 4.03Å; L254-Y259 WeakPolarHBondContact O-CE1 3.43Å; L254-Y259 PolarHBondContact O-OH 2.68Å; H255-Y259 WeakPolarHBondContact O-CE1 3.46Å; P256-Y259 VanDerWaalsContact CA-CZ 3.49Å; P256-Y259 HydrophobicContact CB-CD2 4.21Å; P256-Y259 HydrophobicContact CB-CE2 3.81Å; P256-Y259 HydrophobicContact CG-CE2 4.02Å; P256-Y259 PolarHBondContact O-N 3.02Å; Y259-K261 VanDerWaalsContact C-N 3.34Å; Y259-K261 PolarHBondContact O-N 2.78Å; Y259-V262 PolarHBondContact O-N 2.97Å; Y259-I263 VanDerWaalsContact O-CG1 3.27Å; Y259-I263 WeakPolarHBondContact O-CG1 3.47Å; Y259-I263 PolarHBondContact O-N 3.25Å; Y259-I263 VanDerWaalsContact O-N 3.1Å |
| 260 | A | 92.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.2 | -38.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S258 H264 | S258-A260 PolarHBondContact O-N 3.24Å; A260-H264 WeakPolarHBondContact O-CB 3.35Å; A260-H264 PolarHBondContact O-N 2.92Å |
| 261 | K | 93.4 | Very high | 91.4 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -42.6 | -178.8 | -62.4 | 176.5 | -172.1 | 168.7 | 0 | 112 | E208 L212 S258 Y259 H264 E265 | E208-K261 VanDerWaalsContact OE1-CD 3.3Å; E208-K261 WeakPolarHBondContact OE1-CD 3.43Å; E208-K261 IonicContact OE1-NZ 2.58Å; E208-K261 PolarHBondContact OE1-NZ 2.88Å; E208-K261 IonicContact OE2-NZ 2.64Å; E208-K261 PolarHBondContact OE2-NZ 2.84Å; L212-K261 HydrophobicContact CD1-CB 4.4Å; L212-K261 HydrophobicContact CD2-CB 4.22Å; S258-K261 PolarHBondContact O-N 3.42Å; S258-K261 VanDerWaalsContact O-N 3.12Å; Y259-K261 VanDerWaalsContact C-N 3.34Å; Y259-K261 PolarHBondContact O-N 2.78Å; K261-H264 PolarHBondContact O-N 2.85Å; K261-E265 PolarHBondContact O-N 3.37Å |
| 262 | V | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | F211 L212 T215 E246 C250 L254 S258 Y259 H264 E265 C266 | F211-V262 HydrophobicContact CD1-CG2 3.98Å; F211-V262 HydrophobicContact CE1-CB 4.45Å; F211-V262 HydrophobicContact CE1-CG1 3.94Å; F211-V262 HydrophobicContact CE1-CG2 3.58Å; L212-V262 HydrophobicContact CD2-CB 4.22Å; L212-V262 HydrophobicContact CD2-CG2 3.59Å; T215-V262 HydrophobicContact CG2-CG1 4.17Å; E246-V262 HydrophobicContact CG-CG1 4.17Å; C250-V262 VanDerWaalsContact SG-CG1 3.57Å; L254-V262 HydrophobicContact CD1-CG2 3.91Å; S258-V262 VanDerWaalsContact O-CG2 3.3Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.37Å; Y259-V262 PolarHBondContact O-N 2.97Å; V262-H264 VanDerWaalsContact C-N 3.3Å; V262-H264 PolarHBondContact O-N 2.91Å; V262-E265 PolarHBondContact O-N 3.31Å; V262-C266 PolarHBondContact O-N 3.3Å; V262-C266 PolarHBondContact O-SG 3.34Å |
| 263 | I | 92.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.9 | -64 | -60.1 | 0 | 0 | 0 | 111.1 | E246 E247 Y259 C266 Q267 | E246-I263 HydrophobicContact CB-CD1 4.4Å; E246-I263 HydrophobicContact CG-CD1 4.48Å; E247-I263 HydrophobicContact CB-CD1 3.89Å; E247-I263 HydrophobicContact CG-CD1 4.49Å; Y259-I263 VanDerWaalsContact O-CG1 3.27Å; Y259-I263 WeakPolarHBondContact O-CG1 3.47Å; Y259-I263 PolarHBondContact O-N 3.25Å; Y259-I263 VanDerWaalsContact O-N 3.1Å; I263-C266 PolarHBondContact O-N 2.87Å; I263-Q267 HydrophobicContact CG2-CG 4.3Å; I263-Q267 WeakPolarHBondContact O-CB 3.48Å; I263-Q267 VanDerWaalsContact O-CG 3.29Å; I263-Q267 WeakPolarHBondContact O-CG 3.14Å; I263-Q267 PolarHBondContact O-N 2.99Å |
| 264 | H | 92 | Very high | 91.6 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 175 | -177.8 | 63.8 | 0 | 0 | 0 | 112.3 | A260 K261 V262 C266 Q267 Q268 | A260-H264 WeakPolarHBondContact O-CB 3.35Å; A260-H264 PolarHBondContact O-N 2.92Å; K261-H264 PolarHBondContact O-N 2.85Å; V262-H264 VanDerWaalsContact C-N 3.3Å; V262-H264 PolarHBondContact O-N 2.91Å; H264-C266 VanDerWaalsContact C-N 3.32Å; H264-C266 PolarHBondContact O-N 3.21Å; H264-Q267 PolarHBondContact O-N 3.03Å; H264-Q268 WeakPolarHBondContact O-CB 3.43Å; H264-Q268 PolarHBondContact O-N 3.22Å |
| 265 | E | 94.1 | Very high | 91.5 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.3 | -175.1 | 65.9 | -159.9 | 0 | 0 | 111.1 | K261 V262 Q268 R269 | K261-E265 PolarHBondContact O-N 3.37Å; V262-E265 PolarHBondContact O-N 3.31Å; E265-Q268 PolarHBondContact O-N 3.33Å; E265-R269 WeakPolarHBondContact O-CG 3.41Å; E265-R269 PolarHBondContact O-N 3.36Å; E265-R269 IonicContact OE1-CZ 2.64Å; E265-R269 VanDerWaalsContact OE1-CZ 3.28Å; E265-R269 IonicContact OE1-NE 2.73Å; E265-R269 PolarHBondContact OE1-NE 3Å; E265-R269 IonicContact OE1-NH2 2.78Å; E265-R269 PolarHBondContact OE1-NH2 3.29Å |
| 266 | C | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | Y219 L243 V262 I263 H264 Q268 R269 M270 | Y219-C266 HydrophobicContact CD2-CB 4.16Å; Y219-C266 WeakPolarHBondContact CD2-SG 3.47Å; Y219-C266 HydrophobicContact CE2-CB 4.36Å; Y219-C266 WeakPolarHBondContact CE2-SG 3.41Å; L243-C266 HydrophobicContact CD2-CB 3.57Å; V262-C266 PolarHBondContact O-N 3.3Å; V262-C266 PolarHBondContact O-SG 3.34Å; I263-C266 PolarHBondContact O-N 2.87Å; H264-C266 VanDerWaalsContact C-N 3.32Å; H264-C266 PolarHBondContact O-N 3.21Å; C266-Q268 VanDerWaalsContact C-N 3.32Å; C266-Q268 PolarHBondContact O-N 3.47Å; C266-R269 PolarHBondContact O-N 3.33Å; C266-M270 WeakPolarHBondContact O-CB 3.34Å; C266-M270 VanDerWaalsContact O-CG 3.3Å; C266-M270 WeakPolarHBondContact O-CG 2.97Å; C266-M270 PolarHBondContact O-N 3.32Å |
| 267 | Q | 91.7 | Very high | 91.3 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.2 | -72.3 | 171.1 | -15.9 | 0 | 0 | 111.6 | L243 I263 H264 V271 A272 A311 | L243-Q267 HydrophobicContact CD1-CG 3.96Å; L243-Q267 HydrophobicContact CD2-CG 3.9Å; I263-Q267 HydrophobicContact CG2-CG 4.3Å; I263-Q267 WeakPolarHBondContact O-CB 3.48Å; I263-Q267 VanDerWaalsContact O-CG 3.29Å; I263-Q267 WeakPolarHBondContact O-CG 3.14Å; I263-Q267 PolarHBondContact O-N 2.99Å; H264-Q267 PolarHBondContact O-N 3.03Å; Q267-V271 WeakPolarHBondContact O-CA 3.37Å; Q267-V271 WeakPolarHBondContact O-CB 3.33Å; Q267-V271 PolarHBondContact O-N 3.49Å; Q267-A272 PolarHBondContact O-N 3.08Å; Q267-A311 HydrophobicContact CG-CB 4.5Å |
| 268 | Q | 91.4 | Very high | 91.2 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 177.1 | -177.1 | 60.5 | 36.5 | 0 | 0 | 111.1 | H264 E265 C266 A272 D273 | H264-Q268 WeakPolarHBondContact O-CB 3.43Å; H264-Q268 PolarHBondContact O-N 3.22Å; E265-Q268 PolarHBondContact O-N 3.33Å; C266-Q268 VanDerWaalsContact C-N 3.32Å; C266-Q268 PolarHBondContact O-N 3.47Å; Q268-A272 WeakPolarHBondContact O-CB 3.38Å; Q268-A272 PolarHBondContact O-N 3.15Å; Q268-D273 PolarHBondContact NE2-OD1 3.09Å; Q268-D273 PolarHBondContact O-N 3.01Å |
| 269 | R | 92.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 48 Ų | 48 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.2 | -41.2 | -178.2 | -61.4 | -54.5 | 176.7 | -165.3 | -7.5 | 114 | E265 C266 D273 | E265-R269 WeakPolarHBondContact O-CG 3.41Å; E265-R269 PolarHBondContact O-N 3.36Å; E265-R269 IonicContact OE1-CZ 2.64Å; E265-R269 VanDerWaalsContact OE1-CZ 3.28Å; E265-R269 IonicContact OE1-NE 2.73Å; E265-R269 PolarHBondContact OE1-NE 3Å; E265-R269 IonicContact OE1-NH2 2.78Å; E265-R269 PolarHBondContact OE1-NH2 3.29Å; C266-R269 PolarHBondContact O-N 3.33Å; R269-D273 VanDerWaalsContact CD-OD2 3.3Å; R269-D273 WeakPolarHBondContact CD-OD2 3.22Å; R269-D273 IonicContact NH1-OD2 3.93Å; R269-D273 PolarHBondContact NH1-OD2 3.43Å |
| 270 | M | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -85.4 | -29.2 | -175.2 | -59.1 | -178 | 84.6 | 0 | 0 | 112.6 | Y219 A223 L226 Y235 V239 R242 C266 | Y219-M270 HydrophobicContact CD1-CE 3.9Å; Y219-M270 HydrophobicContact CD1-CG 4.07Å; Y219-M270 HydrophobicContact CD1-SD 3.32Å; Y219-M270 WeakPolarHBondContact CD1-SD 3.18Å; Y219-M270 HydrophobicContact CE1-CE 4.28Å; Y219-M270 HydrophobicContact CE1-SD 3.8Å; Y219-M270 HydrophobicContact CG-CG 4.29Å; Y219-M270 HydrophobicContact CG-SD 3.98Å; A223-M270 HydrophobicContact CB-CB 4.47Å; A223-M270 HydrophobicContact CB-CG 4.3Å; L226-M270 HydrophobicContact CD1-CE 4.28Å; Y235-M270 PolarHBondContact OH-O 3.11Å; V239-M270 HydrophobicContact CB-CE 4.27Å; V239-M270 HydrophobicContact CG1-CB 3.86Å; V239-M270 HydrophobicContact CG1-CE 4.21Å; V239-M270 HydrophobicContact CG1-SD 4.31Å; V239-M270 HydrophobicContact CG2-CB 4.39Å; V239-M270 HydrophobicContact CG2-CE 3.91Å; R242-M270 HydrophobicContact CB-CE 3.9Å; R242-M270 HydrophobicContact CB-SD 4.4Å; R242-M270 HydrophobicContact CG-CE 4.2Å; C266-M270 WeakPolarHBondContact O-CB 3.34Å; C266-M270 VanDerWaalsContact O-CG 3.3Å; C266-M270 WeakPolarHBondContact O-CG 2.97Å; C266-M270 PolarHBondContact O-N 3.32Å |
| 271 | V | 91.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -57.9 | -174.6 | -169.8 | 0 | 0 | 0 | 0 | 111 | V239 Q267 H274 L275 L278 L308 V312 | V239-V271 HydrophobicContact CG1-CG2 4.08Å; Q267-V271 WeakPolarHBondContact O-CA 3.37Å; Q267-V271 WeakPolarHBondContact O-CB 3.33Å; Q267-V271 PolarHBondContact O-N 3.49Å; V271-H274 CarbonylContact O-C 3.58Å; V271-H274 PolarHBondContact O-N 3.15Å; V271-L275 PolarHBondContact O-N 2.9Å; V271-L278 HydrophobicContact CG1-CD1 3.72Å; V271-L308 HydrophobicContact CG1-CB 4.1Å; V271-L308 HydrophobicContact CG2-CB 4.43Å; V271-L308 HydrophobicContact CG2-CD2 3.88Å; V271-V312 HydrophobicContact CB-CG2 3.95Å; V271-V312 HydrophobicContact CG1-CG2 3.73Å |
| 272 | A | 89.8 | Confident | 89.9 | Confident | 17 Ų | 17 | 43 Ų | 43 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.1 | -37.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q267 Q268 H274 L275 V312 | Q267-A272 PolarHBondContact O-N 3.08Å; Q268-A272 WeakPolarHBondContact O-CB 3.38Å; Q268-A272 PolarHBondContact O-N 3.15Å; A272-H274 PolarHBondContact O-N 2.87Å; A272-L275 VanDerWaalsContact O-CB 3.31Å; A272-L275 WeakPolarHBondContact O-CB 3.27Å; A272-L275 PolarHBondContact O-N 3.39Å; A272-V312 HydrophobicContact CB-CG1 3.8Å; A272-V312 HydrophobicContact CB-CG2 4.16Å |
| 273 | D | 90.1 | Very high | 89.3 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 35% | 0.353 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.4 | -21.3 | 177.1 | -71.1 | -1.7 | 0 | 0 | 0 | 112.2 | Q268 R269 | Q268-D273 PolarHBondContact NE2-OD1 3.09Å; Q268-D273 PolarHBondContact O-N 3.01Å; R269-D273 VanDerWaalsContact CD-OD2 3.3Å; R269-D273 WeakPolarHBondContact CD-OD2 3.22Å; R269-D273 IonicContact NH1-OD2 3.93Å; R269-D273 PolarHBondContact NH1-OD2 3.43Å |
| 274 | H | 88.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -113.6 | 21.9 | 179.5 | -59.2 | -62.2 | 0 | 0 | 0 | 113.3 | V271 A272 Q276 F277 L278 | V271-H274 CarbonylContact O-C 3.58Å; V271-H274 PolarHBondContact O-N 3.15Å; A272-H274 PolarHBondContact O-N 2.87Å; H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 3.33Å; H274-F277 WeakPolarHBondContact O-CB 3.18Å; H274-F277 PolarHBondContact O-N 3.1Å; H274-F277 VanDerWaalsContact O-N 3.13Å; H274-L278 PolarHBondContact O-N 3.47Å |
| 275 | L | 88.6 | Confident | 88.5 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | -172.8 | -171.8 | 64 | 0 | 0 | 0 | 113.5 | V271 A272 F277 L278 H279 L309 | V271-L275 PolarHBondContact O-N 2.9Å; A272-L275 VanDerWaalsContact O-CB 3.31Å; A272-L275 WeakPolarHBondContact O-CB 3.27Å; A272-L275 PolarHBondContact O-N 3.39Å; L275-F277 VanDerWaalsContact C-N 3.3Å; L275-F277 PolarHBondContact O-N 3.34Å; L275-L278 PolarHBondContact O-N 2.9Å; L275-H279 WeakPolarHBondContact CD1-NE2 3.49Å; L275-H279 VanDerWaalsContact CG-CE1 3.42Å; L275-H279 WeakPolarHBondContact CG-CE1 3.27Å; L275-H279 WeakPolarHBondContact O-CB 3.46Å; L275-H279 VanDerWaalsContact O-CG 3.28Å; L275-H279 PolarHBondContact O-N 2.66Å; L275-L309 HydrophobicContact CD1-CD2 3.37Å |
| 276 | Q | 87.8 | Confident | 88 | Confident | 177 Ų | 177 | 42.1 Ų | 42.1 | 83% | 0.827 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62 | -36.1 | 179 | -67.8 | -178.9 | -5.3 | 0 | 0 | 112.8 | H274 G280 | H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 3.33Å; Q276-G280 PolarHBondContact O-N 3.34Å |
| 277 | F | 88.4 | Confident | 87.2 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 31% | 0.307 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.1 | -47.6 | 176.1 | 167.8 | -100.7 | 0 | 0 | 0 | 110.8 | L227 C232 H274 L275 H279 G280 E281 | L227-F277 HydrophobicContact CD1-CD1 3.41Å; L227-F277 VanDerWaalsContact CD1-CD1 3.41Å; L227-F277 HydrophobicContact CD1-CD2 4.06Å; L227-F277 HydrophobicContact CD1-CE1 3.36Å; L227-F277 HydrophobicContact CD1-CE2 4.02Å; L227-F277 HydrophobicContact CD1-CG 3.77Å; L227-F277 HydrophobicContact CD1-CZ 3.67Å; C232-F277 HydrophobicContact CB-CE1 3.92Å; C232-F277 HydrophobicContact CB-CZ 3.8Å; H274-F277 WeakPolarHBondContact O-CB 3.18Å; H274-F277 PolarHBondContact O-N 3.1Å; H274-F277 VanDerWaalsContact O-N 3.13Å; L275-F277 VanDerWaalsContact C-N 3.3Å; L275-F277 PolarHBondContact O-N 3.34Å; F277-H279 VanDerWaalsContact C-N 3.32Å; F277-H279 PolarHBondContact O-N 3.35Å; F277-G280 PolarHBondContact O-N 3.24Å; F277-E281 PolarHBondContact O-N 2.84Å |
| 278 | L | 87.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.4 | -64.8 | 176 | 0 | 0 | 0 | 111.6 | Y235 M236 V271 H274 L275 E281 C282 M305 L309 | Y235-L278 HydrophobicContact CD1-CD2 4.34Å; M236-L278 HydrophobicContact CG-CD2 4.08Å; M236-L278 HydrophobicContact SD-CD2 4.42Å; V271-L278 HydrophobicContact CG1-CD1 3.72Å; H274-L278 PolarHBondContact O-N 3.47Å; L275-L278 PolarHBondContact O-N 2.9Å; L278-E281 PolarHBondContact O-N 3.29Å; L278-C282 PolarHBondContact O-N 3.5Å; L278-C282 PolarHBondContact O-SG 3.17Å; L278-M305 HydrophobicContact CB-CE 4.14Å; L278-M305 HydrophobicContact CB-SD 3.92Å; L278-M305 HydrophobicContact CD2-CE 4.02Å; L278-M305 HydrophobicContact CD2-SD 4.16Å; L278-M305 HydrophobicContact CG-SD 4.46Å; L278-M305 WeakPolarHBondContact O-CE 3.32Å; L278-L309 HydrophobicContact CD1-CD2 4.4Å |
| 279 | H | 86.8 | Confident | 84.9 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.3 | -75.3 | 179.1 | 0 | 0 | 0 | 112.4 | L275 F277 E281 C282 G315 H318 | L275-H279 WeakPolarHBondContact CD1-NE2 3.49Å; L275-H279 VanDerWaalsContact CG-CE1 3.42Å; L275-H279 WeakPolarHBondContact CG-CE1 3.27Å; L275-H279 WeakPolarHBondContact O-CB 3.46Å; L275-H279 VanDerWaalsContact O-CG 3.28Å; L275-H279 PolarHBondContact O-N 2.66Å; F277-H279 VanDerWaalsContact C-N 3.32Å; F277-H279 PolarHBondContact O-N 3.35Å; H279-E281 VanDerWaalsContact C-N 3.26Å; H279-E281 PolarHBondContact O-N 3.13Å; H279-C282 WeakPolarHBondContact O-CB 3.31Å; H279-C282 PolarHBondContact O-N 3.38Å; H279-G315 PolarHBondContact NE2-O 2.9Å; H279-H318 WeakPolarHBondContact CB-CD2 3.3Å; H279-H318 AromaticContact CD2-CD2 3.65Å; H279-H318 AromaticContact CD2-CG 3.92Å; H279-H318 VanDerWaalsContact CE1-CB 3.42Å; H279-H318 WeakPolarHBondContact CE1-CB 3.26Å; H279-H318 AromaticContact CG-CD2 3.39Å; H279-H318 AromaticContact CG-CG 3.62Å; H279-H318 AromaticContact ND1-CD2 3.98Å; H279-H318 AromaticContact ND1-CG 3.71Å; H279-H318 PolarHBondContact O-NE2 3.37Å |
| 280 | G | 85.1 | Confident | 83.1 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q276 F277 | Q276-G280 PolarHBondContact O-N 3.34Å; F277-G280 PolarHBondContact O-N 3.24Å |
| 281 | E | 85.8 | Confident | 81 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86.8 | -15.4 | 178.6 | -67.4 | -58.4 | 146.7 | 0 | 0 | 114.1 | C232 F277 L278 H279 Q283 N284 I285 | C232-E281 HydrophobicContact CB-CB 4.21Å; C232-E281 HydrophobicContact CB-CG 3.92Å; F277-E281 PolarHBondContact O-N 2.84Å; L278-E281 PolarHBondContact O-N 3.29Å; H279-E281 VanDerWaalsContact C-N 3.26Å; H279-E281 PolarHBondContact O-N 3.13Å; E281-Q283 VanDerWaalsContact C-N 3.25Å; E281-Q283 PolarHBondContact O-N 2.87Å; E281-N284 PolarHBondContact O-N 3.32Å; E281-N284 VanDerWaalsContact O-N 3.08Å; E281-N284 PolarHBondContact OE2-ND2 3.45Å; E281-I285 WeakPolarHBondContact O-CG1 3.31Å; E281-I285 PolarHBondContact O-N 3.06Å |
| 282 | C | 84.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.4 | -44.1 | 176.8 | -79 | 0 | 0 | 0 | 0 | 111.5 | L278 H279 N284 I285 I286 | L278-C282 PolarHBondContact O-N 3.5Å; L278-C282 PolarHBondContact O-SG 3.17Å; H279-C282 WeakPolarHBondContact O-CB 3.31Å; H279-C282 PolarHBondContact O-N 3.38Å; C282-N284 VanDerWaalsContact C-N 3.31Å; C282-N284 PolarHBondContact O-N 3.22Å; C282-I285 PolarHBondContact O-N 3.08Å; C282-I286 WeakPolarHBondContact O-CB 3.42Å; C282-I286 WeakPolarHBondContact O-CD1 3.46Å; C282-I286 VanDerWaalsContact O-CG1 3.22Å; C282-I286 WeakPolarHBondContact O-CG1 3.46Å; C282-I286 PolarHBondContact O-N 3.38Å |
| 283 | Q | 82.1 | Confident | 76.4 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -40 | 179.6 | -179.9 | 166.7 | 77.9 | 0 | 0 | 112.1 | E281 R287 E322 | E281-Q283 VanDerWaalsContact C-N 3.25Å; E281-Q283 PolarHBondContact O-N 2.87Å; Q283-R287 HydrophobicContact CG-CG 4.36Å; Q283-R287 VanDerWaalsContact O-CB 3.29Å; Q283-R287 WeakPolarHBondContact O-CB 3.47Å; Q283-R287 VanDerWaalsContact O-CG 3.28Å; Q283-R287 WeakPolarHBondContact O-CG 3.34Å; Q283-R287 PolarHBondContact O-N 3.22Å; Q283-E322 PolarHBondContact NE2-OE2 3Å |
| 284 | N | 83.9 | Confident | 74.3 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | 179.8 | -69.9 | -29.8 | 0 | 0 | 0 | 111.3 | E281 C282 I286 R287 Q288 | E281-N284 PolarHBondContact O-N 3.32Å; E281-N284 VanDerWaalsContact O-N 3.08Å; E281-N284 PolarHBondContact OE2-ND2 3.45Å; C282-N284 VanDerWaalsContact C-N 3.31Å; C282-N284 PolarHBondContact O-N 3.22Å; N284-I286 PolarHBondContact O-N 3.02Å; N284-R287 PolarHBondContact O-N 3.21Å; N284-Q288 WeakPolarHBondContact O-CB 3.36Å; N284-Q288 VanDerWaalsContact O-CG 3.25Å; N284-Q288 WeakPolarHBondContact O-CG 3.5Å; N284-Q288 PolarHBondContact O-N 3.27Å |
| 285 | I | 83.9 | Confident | 72.3 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 179.8 | -65 | 168.1 | 0 | 0 | 0 | 110.2 | M236 E281 C282 D301 M302 M305 | M236-I285 HydrophobicContact CE-CD1 4.01Å; E281-I285 WeakPolarHBondContact O-CG1 3.31Å; E281-I285 PolarHBondContact O-N 3.06Å; C282-I285 PolarHBondContact O-N 3.08Å; I285-D301 HydrophobicContact CG2-CB 4.36Å; I285-M302 HydrophobicContact CG2-CB 3.82Å; I285-M305 HydrophobicContact CD1-CE 3.68Å |
| 286 | I | 82.4 | Confident | 70.5 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | -179.4 | -67.1 | 167.7 | 0 | 0 | 0 | 111.4 | C282 N284 M302 M319 E322 L323 H326 | C282-I286 WeakPolarHBondContact O-CB 3.42Å; C282-I286 WeakPolarHBondContact O-CD1 3.46Å; C282-I286 VanDerWaalsContact O-CG1 3.22Å; C282-I286 WeakPolarHBondContact O-CG1 3.46Å; C282-I286 PolarHBondContact O-N 3.38Å; N284-I286 PolarHBondContact O-N 3.02Å; I286-M302 HydrophobicContact CG1-CE 4.46Å; I286-M319 HydrophobicContact CD1-CG 4.22Å; I286-E322 HydrophobicContact CD1-CB 3.88Å; I286-L323 HydrophobicContact CD1-CB 4.37Å; I286-L323 HydrophobicContact CG2-CD1 3.79Å; I286-H326 HydrophobicContact CG2-CB 3.7Å; I286-H326 VanDerWaalsContact CG2-CD2 3.44Å; I286-H326 WeakPolarHBondContact CG2-CD2 3.45Å |
| 287 | R | 77.9 | Confident | 68.6 | Low | 87 Ų | 87 | 73.5 Ų | 73.5 | 33% | 0.328 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -78.1 | -27.3 | -175.2 | -69.6 | -177.7 | -178.7 | -91.7 | -0.7 | 114 | Q283 N284 D329 | Q283-R287 HydrophobicContact CG-CG 4.36Å; Q283-R287 VanDerWaalsContact O-CB 3.29Å; Q283-R287 WeakPolarHBondContact O-CB 3.47Å; Q283-R287 VanDerWaalsContact O-CG 3.28Å; Q283-R287 WeakPolarHBondContact O-CG 3.34Å; Q283-R287 PolarHBondContact O-N 3.22Å; N284-R287 PolarHBondContact O-N 3.21Å; R287-D329 IonicContact CZ-OD2 2.7Å; R287-D329 IonicContact NH1-OD2 3.87Å; R287-D329 PolarHBondContact NH1-OD2 3.42Å; R287-D329 IonicContact NH2-OD2 2.72Å; R287-D329 PolarHBondContact NH2-OD2 3.34Å |
| 288 | Q | 71.2 | Confident | 67.5 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -91.1 | -1.5 | -175.1 | -64.7 | -179.8 | 14.7 | 0 | 0 | 114 | N284 K290 R291 | N284-Q288 WeakPolarHBondContact O-CB 3.36Å; N284-Q288 VanDerWaalsContact O-CG 3.25Å; N284-Q288 WeakPolarHBondContact O-CG 3.5Å; N284-Q288 PolarHBondContact O-N 3.27Å; Q288-K290 PolarHBondContact O-N 3.34Å; Q288-R291 PolarHBondContact O-N 3.49Å; Q288-R291 VanDerWaalsContact O-N 3.15Å |
| 289 | E | 63.8 | Low | 66.7 | Low | 61 Ų | 61 | 76.2 Ų | 76.2 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -29.8 | 171.5 | -176 | -99.8 | 172.1 | 0 | 0 | 112.9 | K357 L361 | E289-K357 WeakPolarHBondContact OE2-CE 3.35Å; E289-K357 IonicContact OE2-NZ 3.72Å; E289-K357 PolarHBondContact OE2-NZ 3.07Å; E289-L361 HydrophobicContact CG-CD1 4.41Å |
| 290 | K | 53.3 | Low | 66.4 | Low | 107 Ų | 107 | 79 Ų | 79 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.5 | -176.8 | -99.2 | -174.3 | 160.6 | -179.6 | 0 | 117.7 | Q288 E330 | Q288-K290 PolarHBondContact O-N 3.34Å; K290-E330 VanDerWaalsContact CE-OE1 3.3Å; K290-E330 WeakPolarHBondContact CE-OE1 3.07Å; K290-E330 IonicContact NZ-OE1 3.54Å; K290-E330 PolarHBondContact NZ-OE1 3.35Å |
| 291 | R | 48.2 | Very low | 66.4 | Low | 207 Ų | 207 | 77.9 Ų | 77.9 | 78% | 0.781 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -28.5 | -165.1 | -82.2 | -170.8 | -163.9 | 177.3 | 6.3 | 115.7 | Q288 | Q288-R291 PolarHBondContact O-N 3.49Å; Q288-R291 VanDerWaalsContact O-N 3.15Å |
| 292 | D | 39.6 | Very low | 66.4 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | trans | -108.3 | 121 | -175.3 | -66.9 | -29.2 | 0 | 0 | 0 | 109.1 | Q294 R298 | D292-Q294 PolarHBondContact O-N 3.24Å; D292-R298 IonicContact OD2-CZ 2.82Å; D292-R298 IonicContact OD2-NE 3.42Å; D292-R298 IonicContact OD2-NH2 3.71Å; D292-R298 PolarHBondContact OD2-NH2 2.81Å; D292-R298 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 293 | G | 45.6 | Very low | 66.6 | Low | 93 Ų | 93 | 76 Ų | 76 | 96% | 0.959 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -62 | 16.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 294 | Q | 44.6 | Very low | 67 | Low | 146 Ų | 146 | 74.1 Ų | 74.1 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | trans | -107 | 72.8 | 169.7 | -74.3 | 178.9 | -18.3 | 0 | 0 | 108.5 | D292 G296 | D292-Q294 PolarHBondContact O-N 3.24Å; Q294-G296 PolarHBondContact O-N 3.36Å; Q294-G296 VanDerWaalsContact O-N 3.12Å | ||
| 295 | S | 47.3 | Very low | 67.3 | Low | 97 Ų | 97 | 71.3 Ų | 71.3 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.6 | -15.6 | -173.6 | -167.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 296 | G | 50.5 | Low | 67.7 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.1 | -60.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q294 R298 S299 D300 | Q294-G296 PolarHBondContact O-N 3.36Å; Q294-G296 VanDerWaalsContact O-N 3.12Å; G296-R298 PolarHBondContact O-N 3.32Å; G296-S299 PolarHBondContact O-N 2.98Å; G296-D300 PolarHBondContact O-N 3.32Å |
| 297 | Y | 49.1 | Very low | 68.1 | Low | 182 Ų | 182 | 73.7 Ų | 73.7 | 71% | 0.714 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.7 | -30 | -163.4 | -69.3 | -80.9 | 0 | 0 | 0 | 115.1 | D301 | Y297-D301 PolarHBondContact O-N 3.48Å |
| 298 | R | 65.3 | Low | 68.7 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -91.7 | -22.1 | -177.2 | -65.3 | -174.5 | -176.2 | -136.8 | 14 | 114 | D292 G296 D300 D301 M302 | D292-R298 IonicContact OD2-CZ 2.82Å; D292-R298 IonicContact OD2-NE 3.42Å; D292-R298 IonicContact OD2-NH2 3.71Å; D292-R298 PolarHBondContact OD2-NH2 2.81Å; D292-R298 VanDerWaalsContact OD2-NH2 3.1Å; G296-R298 PolarHBondContact O-N 3.32Å; R298-D300 VanDerWaalsContact C-N 3.26Å; R298-D301 PolarHBondContact O-N 3.17Å; R298-M302 PolarHBondContact O-N 3.03Å |
| 299 | S | 70.3 | Confident | 69.6 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 166.7 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | G296 M302 A303 V365 | G296-S299 PolarHBondContact O-N 2.98Å; S299-M302 PolarHBondContact O-N 2.62Å; S299-A303 PolarHBondContact O-N 2.76Å; S299-V365 WeakPolarHBondContact O-CG1 3.33Å; S299-V365 WeakPolarHBondContact OG-CG2 3.38Å |
| 300 | D | 79.8 | Confident | 70.9 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 175.2 | -62.7 | -26.2 | 0 | 0 | 0 | 111.7 | G296 R298 M302 A303 N304 | G296-D300 PolarHBondContact O-N 3.32Å; R298-D300 VanDerWaalsContact C-N 3.26Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 3.27Å; D300-A303 PolarHBondContact O-N 3.15Å; D300-N304 WeakPolarHBondContact O-CB 3.4Å; D300-N304 PolarHBondContact O-N 3.48Å; D300-N304 PolarHBondContact O-ND2 3.1Å |
| 301 | D | 85.3 | Confident | 72.4 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.134 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 174.6 | -72.6 | -23.3 | 0 | 0 | 0 | 112.7 | S233 M236 I285 Y297 R298 N304 M305 | S233-D301 WeakPolarHBondContact CB-OD1 3.4Å; S233-D301 WeakPolarHBondContact CB-OD2 3.46Å; S233-D301 PolarHBondContact OG-OD1 3.39Å; S233-D301 PolarHBondContact OG-OD2 2.91Å; M236-D301 HydrophobicContact CE-CB 4.2Å; M236-D301 WeakPolarHBondContact CE-O 3.31Å; I285-D301 HydrophobicContact CG2-CB 4.36Å; Y297-D301 PolarHBondContact O-N 3.48Å; R298-D301 PolarHBondContact O-N 3.17Å; D301-N304 PolarHBondContact O-N 2.95Å; D301-M305 WeakPolarHBondContact O-CB 3.46Å; D301-M305 PolarHBondContact O-N 3.4Å |
| 302 | M | 86.1 | Confident | 74.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 176.7 | -176.2 | 172.8 | 175.4 | 0 | 0 | 111.9 | I285 I286 R298 S299 D300 Y306 M319 L323 L361 V365 L366 | I285-M302 HydrophobicContact CG2-CB 3.82Å; I286-M302 HydrophobicContact CG1-CE 4.46Å; R298-M302 PolarHBondContact O-N 3.03Å; S299-M302 PolarHBondContact O-N 2.62Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 3.27Å; M302-Y306 WeakPolarHBondContact O-CB 3.21Å; M302-Y306 PolarHBondContact O-N 3.37Å; M302-M319 HydrophobicContact CE-CE 4.06Å; M302-M319 HydrophobicContact CG-CE 3.85Å; M302-L323 HydrophobicContact CE-CD1 4.27Å; M302-L361 HydrophobicContact CE-CD2 4.07Å; M302-L361 HydrophobicContact CE-CG 4.32Å; M302-L361 HydrophobicContact SD-CD1 4.21Å; M302-L361 HydrophobicContact SD-CD2 4.34Å; M302-L361 HydrophobicContact SD-CG 4.47Å; M302-V365 HydrophobicContact CB-CG1 3.68Å; M302-V365 HydrophobicContact CG-CG1 3.62Å; M302-V365 HydrophobicContact SD-CG1 4.15Å; M302-L366 HydrophobicContact CE-CD1 3.73Å; M302-L366 HydrophobicContact CE-CD2 3.85Å; M302-L366 HydrophobicContact CE-CG 3.97Å; M302-L366 HydrophobicContact CG-CD2 4.23Å |
| 303 | A | 89.4 | Confident | 76.2 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S299 D300 Y306 T307 V365 | S299-A303 PolarHBondContact O-N 2.76Å; D300-A303 PolarHBondContact O-N 3.15Å; A303-Y306 PolarHBondContact O-N 2.89Å; A303-T307 WeakPolarHBondContact O-CB 3.39Å; A303-T307 PolarHBondContact O-N 2.88Å; A303-T307 PolarHBondContact O-OG1 3.47Å; A303-V365 HydrophobicContact CB-CG1 3.94Å |
| 304 | N | 90.5 | Very high | 78 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 175.7 | -71 | -24.7 | 0 | 0 | 0 | 110.7 | M236 L240 D300 D301 Y306 T307 L308 | M236-N304 HydrophobicContact CB-CB 4.21Å; M236-N304 HydrophobicContact SD-CB 4.49Å; L240-N304 HydrophobicContact CD1-CB 3.74Å; L240-N304 VanDerWaalsContact CD1-OD1 3.29Å; L240-N304 WeakPolarHBondContact CD1-OD1 3.4Å; D300-N304 WeakPolarHBondContact O-CB 3.4Å; D300-N304 PolarHBondContact O-N 3.48Å; D300-N304 PolarHBondContact O-ND2 3.1Å; D301-N304 PolarHBondContact O-N 2.95Å; N304-Y306 PolarHBondContact O-N 2.88Å; N304-T307 PolarHBondContact O-N 3.24Å; N304-L308 WeakPolarHBondContact O-CG 3.45Å; N304-L308 PolarHBondContact O-N 3.1Å |
| 305 | M | 89.9 | Confident | 79.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.8 | -173.2 | 66.4 | 79.2 | 0 | 0 | 111.1 | M236 L278 I285 D301 T307 L308 L309 M319 | M236-M305 HydrophobicContact CE-CB 4.45Å; M236-M305 HydrophobicContact CE-CE 4.12Å; M236-M305 HydrophobicContact SD-CB 3.7Å; M236-M305 HydrophobicContact SD-CE 3.45Å; M236-M305 WeakPolarHBondContact SD-CE 3.42Å; M236-M305 HydrophobicContact SD-CG 4.32Å; M236-M305 HydrophobicContact SD-SD 3.74Å; L278-M305 HydrophobicContact CB-CE 4.14Å; L278-M305 HydrophobicContact CB-SD 3.92Å; L278-M305 HydrophobicContact CD2-CE 4.02Å; L278-M305 HydrophobicContact CD2-SD 4.16Å; L278-M305 HydrophobicContact CG-SD 4.46Å; L278-M305 WeakPolarHBondContact O-CE 3.32Å; I285-M305 HydrophobicContact CD1-CE 3.68Å; D301-M305 WeakPolarHBondContact O-CB 3.46Å; D301-M305 PolarHBondContact O-N 3.4Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.23Å; M305-L308 PolarHBondContact O-N 3.33Å; M305-L309 HydrophobicContact CG-CD1 3.68Å; M305-L309 HydrophobicContact CG-CG 4.14Å; M305-L309 VanDerWaalsContact O-CB 3.3Å; M305-L309 WeakPolarHBondContact O-CB 3.48Å; M305-L309 VanDerWaalsContact O-CG 3.27Å; M305-L309 WeakPolarHBondContact O-CG 3.48Å; M305-L309 PolarHBondContact O-N 3.08Å; M305-L309 HydrophobicContact SD-CD1 3.79Å; M305-L309 HydrophobicContact SD-CD2 4.43Å; M305-L309 HydrophobicContact SD-CG 3.91Å; M305-M319 HydrophobicContact CG-SD 4.29Å |
| 306 | Y | 91.4 | Very high | 81.9 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 176.4 | 171.7 | -106.3 | 0 | 0 | 0 | 112 | M302 A303 N304 L308 R310 L316 L366 N367 D369 F372 | M302-Y306 WeakPolarHBondContact O-CB 3.21Å; M302-Y306 PolarHBondContact O-N 3.37Å; A303-Y306 PolarHBondContact O-N 2.89Å; N304-Y306 PolarHBondContact O-N 2.88Å; Y306-L308 PolarHBondContact O-N 2.92Å; Y306-R310 WeakPolarHBondContact O-CB 3.24Å; Y306-R310 PolarHBondContact O-N 3.48Å; Y306-R310 PolarHBondContact OH-NH1 3.41Å; Y306-L316 HydrophobicContact CD2-CD2 4.02Å; Y306-L316 HydrophobicContact CE2-CD2 4.18Å; Y306-L366 HydrophobicContact CD2-CB 4.46Å; Y306-L366 HydrophobicContact CD2-CD2 3.95Å; Y306-L366 HydrophobicContact CG-CD2 3.82Å; Y306-N367 HydrophobicContact CE1-CB 4.27Å; Y306-D369 HydrophobicContact CE2-CB 4.15Å; Y306-D369 PolarHBondContact OH-OD2 3.31Å; Y306-F372 AromaticContact CD2-CE2 3.79Å; Y306-F372 HydrophobicContact CD2-CE2 3.79Å; Y306-F372 HydrophobicContact CD2-CZ 4.31Å; Y306-F372 HydrophobicContact CE2-CD2 4.38Å; Y306-F372 AromaticContact CE2-CE2 3.77Å; Y306-F372 HydrophobicContact CE2-CE2 3.77Å |
| 307 | T | 91.1 | Very high | 83.9 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | L240 A303 N304 M305 A311 | L240-T307 HydrophobicContact CD2-CG2 3.98Å; A303-T307 WeakPolarHBondContact O-CB 3.39Å; A303-T307 PolarHBondContact O-N 2.88Å; A303-T307 PolarHBondContact O-OG1 3.47Å; N304-T307 PolarHBondContact O-N 3.24Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.23Å; T307-A311 PolarHBondContact O-N 3.21Å |
| 308 | L | 91.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -46.6 | 178.9 | -68.8 | 174.5 | 0 | 0 | 0 | 112.1 | M236 V239 L240 L243 V271 N304 M305 Y306 R310 A311 | M236-L308 HydrophobicContact CB-CD1 3.65Å; M236-L308 HydrophobicContact CG-CD1 3.64Å; M236-L308 HydrophobicContact SD-CD1 4.37Å; V239-L308 HydrophobicContact CG1-CD2 3.98Å; L240-L308 HydrophobicContact CD1-CG 4.47Å; L240-L308 HydrophobicContact CD2-CD2 3.5Å; L240-L308 HydrophobicContact CD2-CG 3.95Å; L240-L308 HydrophobicContact CG-CD1 4.35Å; L240-L308 HydrophobicContact CG-CD2 3.8Å; L240-L308 HydrophobicContact CG-CG 4.04Å; L243-L308 HydrophobicContact CD1-CD2 4.09Å; V271-L308 HydrophobicContact CG1-CB 4.1Å; V271-L308 HydrophobicContact CG2-CB 4.43Å; V271-L308 HydrophobicContact CG2-CD2 3.88Å; N304-L308 WeakPolarHBondContact O-CG 3.45Å; N304-L308 PolarHBondContact O-N 3.1Å; M305-L308 PolarHBondContact O-N 3.33Å; Y306-L308 PolarHBondContact O-N 2.92Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.2Å; L308-A311 WeakPolarHBondContact O-CB 3.34Å; L308-A311 PolarHBondContact O-N 3.02Å |
| 309 | L | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.3 | -28.7 | -179.4 | -67.9 | -176.5 | 0 | 0 | 0 | 112.8 | L275 L278 M305 A311 V312 L316 M319 | L275-L309 HydrophobicContact CD1-CD2 3.37Å; L278-L309 HydrophobicContact CD1-CD2 4.4Å; M305-L309 HydrophobicContact CG-CD1 3.68Å; M305-L309 HydrophobicContact CG-CG 4.14Å; M305-L309 VanDerWaalsContact O-CB 3.3Å; M305-L309 WeakPolarHBondContact O-CB 3.48Å; M305-L309 VanDerWaalsContact O-CG 3.27Å; M305-L309 WeakPolarHBondContact O-CG 3.48Å; M305-L309 PolarHBondContact O-N 3.08Å; M305-L309 HydrophobicContact SD-CD1 3.79Å; M305-L309 HydrophobicContact SD-CD2 4.43Å; M305-L309 HydrophobicContact SD-CG 3.91Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-V312 PolarHBondContact O-N 2.98Å; L309-L316 HydrophobicContact CB-CD2 4.03Å; L309-M319 HydrophobicContact CD1-CB 3.96Å; L309-M319 HydrophobicContact CD1-CG 4.43Å; L309-M319 HydrophobicContact CD1-SD 4Å |
| 310 | R | 90.4 | Very high | 88.1 | Confident | 148 Ų | 148 | 40.6 Ų | 40.6 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -67.9 | -32.1 | 174 | -179.9 | 177.4 | 176.1 | -173.2 | -2.5 | 112.4 | Y306 L308 V312 L316 | Y306-R310 WeakPolarHBondContact O-CB 3.24Å; Y306-R310 PolarHBondContact O-N 3.48Å; Y306-R310 PolarHBondContact OH-NH1 3.41Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.2Å; R310-V312 PolarHBondContact O-N 3.47Å; R310-L316 HydrophobicContact CB-CD1 4.32Å; R310-L316 HydrophobicContact CB-CD2 4.24Å; R310-L316 HydrophobicContact CG-CD1 4.42Å |
| 311 | A | 85.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -21.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q267 T307 L308 L309 | Q267-A311 HydrophobicContact CG-CB 4.5Å; T307-A311 PolarHBondContact O-N 3.21Å; L308-A311 WeakPolarHBondContact O-CB 3.34Å; L308-A311 PolarHBondContact O-N 3.02Å; L309-A311 VanDerWaalsContact C-N 3.31Å |
| 312 | V | 87.1 | Confident | 89 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -102.1 | 125.8 | 180 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | V271 A272 L309 R310 S314 G315 | V271-V312 HydrophobicContact CB-CG2 3.95Å; V271-V312 HydrophobicContact CG1-CG2 3.73Å; A272-V312 HydrophobicContact CB-CG1 3.8Å; A272-V312 HydrophobicContact CB-CG2 4.16Å; L309-V312 PolarHBondContact O-N 2.98Å; R310-V312 PolarHBondContact O-N 3.47Å; V312-S314 PolarHBondContact O-N 3.49Å; V312-S314 VanDerWaalsContact O-N 3.1Å; V312-G315 PolarHBondContact O-N 3.46Å |
| 313 | S | 79.4 | Confident | 89.3 | Confident | 129 Ų | 129 | 41.8 Ų | 41.8 | 90% | 0.902 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.7 | -175.8 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 314 | S | 84.1 | Confident | 89.5 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7.8 | 178 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | V312 | V312-S314 PolarHBondContact O-N 3.49Å; V312-S314 VanDerWaalsContact O-N 3.1Å |
| 315 | G | 84.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -48 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H279 V312 P317 | H279-G315 PolarHBondContact NE2-O 2.9Å; V312-G315 PolarHBondContact O-N 3.46Å; G315-P317 VanDerWaalsContact C-CD 3.49Å |
| 316 | L | 90.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | -172.1 | -65.2 | 176.9 | 0 | 0 | 0 | 116.8 | Y306 L309 R310 H318 M319 I320 F372 | Y306-L316 HydrophobicContact CD2-CD2 4.02Å; Y306-L316 HydrophobicContact CE2-CD2 4.18Å; L309-L316 HydrophobicContact CB-CD2 4.03Å; R310-L316 HydrophobicContact CB-CD1 4.32Å; R310-L316 HydrophobicContact CB-CD2 4.24Å; R310-L316 HydrophobicContact CG-CD1 4.42Å; L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 VanDerWaalsContact O-N 3.15Å; L316-M319 PolarHBondContact O-N 2.91Å; L316-M319 VanDerWaalsContact O-N 3.09Å; L316-I320 HydrophobicContact CB-CD1 4.01Å; L316-I320 WeakPolarHBondContact O-CG1 3.37Å; L316-I320 PolarHBondContact O-N 3.26Å; L316-F372 HydrophobicContact CD2-CE2 4.26Å; L316-F372 HydrophobicContact CD2-CZ 4.4Å |
| 317 | P | 91.5 | Very high | 89.7 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.5 | -39 | -172 | -29.9 | 36.5 | 0 | 0 | 0 | 114.7 | G315 Q321 | G315-P317 VanDerWaalsContact C-CD 3.49Å; P317-Q321 PolarHBondContact O-N 2.96Å |
| 318 | H | 90.1 | Very high | 89.7 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -44.8 | 178.3 | -174.9 | 76 | 0 | 0 | 0 | 112.1 | H279 L316 I320 Q321 E322 | H279-H318 WeakPolarHBondContact CB-CD2 3.3Å; H279-H318 AromaticContact CD2-CD2 3.65Å; H279-H318 AromaticContact CD2-CG 3.92Å; H279-H318 VanDerWaalsContact CE1-CB 3.42Å; H279-H318 WeakPolarHBondContact CE1-CB 3.26Å; H279-H318 AromaticContact CG-CD2 3.39Å; H279-H318 AromaticContact CG-CG 3.62Å; H279-H318 AromaticContact ND1-CD2 3.98Å; H279-H318 AromaticContact ND1-CG 3.71Å; H279-H318 PolarHBondContact O-NE2 3.37Å; L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 VanDerWaalsContact O-N 3.15Å; H318-I320 VanDerWaalsContact C-N 3.29Å; H318-I320 PolarHBondContact O-N 3.39Å; H318-Q321 PolarHBondContact O-N 2.97Å; H318-Q321 VanDerWaalsContact O-N 3.17Å; H318-E322 IonicContact CE1-OE1 3.44Å; H318-E322 PolarHBondContact O-N 3.31Å |
| 319 | M | 91 | Very high | 89.7 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177 | -170.6 | -176 | 176.6 | 0 | 0 | 111.7 | I286 M302 M305 L309 L316 L323 L366 F372 | I286-M319 HydrophobicContact CD1-CG 4.22Å; M302-M319 HydrophobicContact CE-CE 4.06Å; M302-M319 HydrophobicContact CG-CE 3.85Å; M305-M319 HydrophobicContact CG-SD 4.29Å; L309-M319 HydrophobicContact CD1-CB 3.96Å; L309-M319 HydrophobicContact CD1-CG 4.43Å; L309-M319 HydrophobicContact CD1-SD 4Å; L316-M319 PolarHBondContact O-N 2.91Å; L316-M319 VanDerWaalsContact O-N 3.09Å; M319-L323 WeakPolarHBondContact O-CB 3.48Å; M319-L323 PolarHBondContact O-N 3.29Å; M319-L366 HydrophobicContact CE-CD2 3.58Å; M319-F372 HydrophobicContact CB-CE1 4.39Å; M319-F372 HydrophobicContact CB-CZ 4.24Å; M319-F372 HydrophobicContact CE-CE1 4.47Å; M319-F372 HydrophobicContact CE-CZ 4.29Å; M319-F372 HydrophobicContact CG-CE1 3.93Å; M319-F372 HydrophobicContact CG-CZ 3.91Å; M319-F372 HydrophobicContact SD-CE1 4.26Å; M319-F372 HydrophobicContact SD-CZ 3.76Å |
| 320 | I | 92.9 | Very high | 89.7 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.2 | -65.6 | 161.4 | 0 | 0 | 0 | 110.5 | L316 H318 L323 Q324 H371 F372 A375 | L316-I320 HydrophobicContact CB-CD1 4.01Å; L316-I320 WeakPolarHBondContact O-CG1 3.37Å; L316-I320 PolarHBondContact O-N 3.26Å; H318-I320 VanDerWaalsContact C-N 3.29Å; H318-I320 PolarHBondContact O-N 3.39Å; I320-L323 PolarHBondContact O-N 3.24Å; I320-Q324 WeakPolarHBondContact O-CB 3.35Å; I320-Q324 PolarHBondContact O-N 2.85Å; I320-H371 HydrophobicContact CD1-CB 3.63Å; I320-H371 HydrophobicContact CG1-CB 4.37Å; I320-F372 HydrophobicContact CB-CE1 4.32Å; I320-F372 HydrophobicContact CG1-CD1 3.96Å; I320-F372 HydrophobicContact CG1-CD2 4.28Å; I320-F372 HydrophobicContact CG1-CE1 3.67Å; I320-F372 HydrophobicContact CG1-CE2 4Å; I320-F372 HydrophobicContact CG1-CG 4.31Å; I320-F372 HydrophobicContact CG1-CZ 3.71Å; I320-A375 HydrophobicContact CG2-CB 3.64Å |
| 321 | Q | 92.6 | Very high | 89.7 | Confident | 116 Ų | 116 | 40.2 Ų | 40.2 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 178 | -178.5 | 176.5 | -7.8 | 0 | 0 | 111.8 | P317 H318 L323 Q324 V325 | P317-Q321 PolarHBondContact O-N 2.96Å; H318-Q321 PolarHBondContact O-N 2.97Å; H318-Q321 VanDerWaalsContact O-N 3.17Å; Q321-L323 PolarHBondContact O-N 3.46Å; Q321-Q324 WeakPolarHBondContact O-CB 3.49Å; Q321-Q324 PolarHBondContact O-N 2.62Å; Q321-V325 WeakPolarHBondContact O-CG2 3.37Å; Q321-V325 PolarHBondContact O-N 3.44Å |
| 322 | E | 90.6 | Very high | 89.9 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 178 | -73.1 | -56.7 | 128.6 | 0 | 0 | 111.9 | Q283 I286 H318 V325 H326 | Q283-E322 PolarHBondContact NE2-OE2 3Å; I286-E322 HydrophobicContact CD1-CB 3.88Å; H318-E322 IonicContact CE1-OE1 3.44Å; H318-E322 PolarHBondContact O-N 3.31Å; E322-V325 PolarHBondContact O-N 3.48Å; E322-H326 WeakPolarHBondContact O-CB 3.37Å; E322-H326 PolarHBondContact O-N 3.4Å |
| 323 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 173.9 | -170.9 | 68.7 | 0 | 0 | 0 | 111 | I286 M302 M319 I320 Q321 V325 H326 I327 F358 L361 I362 L366 F372 | I286-L323 HydrophobicContact CD1-CB 4.37Å; I286-L323 HydrophobicContact CG2-CD1 3.79Å; M302-L323 HydrophobicContact CE-CD1 4.27Å; M319-L323 WeakPolarHBondContact O-CB 3.48Å; M319-L323 PolarHBondContact O-N 3.29Å; I320-L323 PolarHBondContact O-N 3.24Å; Q321-L323 PolarHBondContact O-N 3.46Å; L323-V325 VanDerWaalsContact C-N 3.33Å; L323-V325 PolarHBondContact O-N 2.8Å; L323-H326 PolarHBondContact O-N 2.94Å; L323-I327 HydrophobicContact CD1-CD1 4.34Å; L323-I327 HydrophobicContact CD1-CG1 4.42Å; L323-I327 HydrophobicContact CD2-CD1 4.12Å; L323-I327 HydrophobicContact CG-CD1 3.72Å; L323-I327 HydrophobicContact CG-CG1 4.23Å; L323-I327 WeakPolarHBondContact O-CB 3.44Å; L323-I327 WeakPolarHBondContact O-CD1 3.27Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 2.89Å; L323-F358 HydrophobicContact CD1-CE1 4.41Å; L323-L361 HydrophobicContact CD1-CD2 4.49Å; L323-I362 HydrophobicContact CD2-CD1 4.47Å; L323-I362 HydrophobicContact CD2-CG1 4.29Å; L323-L366 HydrophobicContact CD2-CD1 4.08Å; L323-F372 HydrophobicContact CB-CD1 4.33Å; L323-F372 HydrophobicContact CB-CE1 4.48Å; L323-F372 HydrophobicContact CD2-CB 4.33Å; L323-F372 HydrophobicContact CD2-CD1 3.49Å; L323-F372 VanDerWaalsContact CD2-CD1 3.49Å; L323-F372 HydrophobicContact CD2-CE1 4.24Å; L323-F372 HydrophobicContact CD2-CG 4.34Å |
| 324 | Q | 93.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 176.9 | -168.7 | -178.8 | -39.7 | 0 | 0 | 111.7 | I320 Q321 H328 A375 A379 | I320-Q324 WeakPolarHBondContact O-CB 3.35Å; I320-Q324 PolarHBondContact O-N 2.85Å; Q321-Q324 WeakPolarHBondContact O-CB 3.49Å; Q321-Q324 PolarHBondContact O-N 2.62Å; Q324-H328 WeakPolarHBondContact O-CB 3.48Å; Q324-H328 PolarHBondContact O-N 3.02Å; Q324-A375 HydrophobicContact CB-CB 4.15Å; Q324-A375 HydrophobicContact CG-CB 4.48Å; Q324-A379 HydrophobicContact CG-CB 3.93Å; Q324-A379 WeakPolarHBondContact O-CB 3.46Å |
| 325 | V | 92.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 33% | 0.327 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | Q321 E322 L323 H328 D329 | Q321-V325 WeakPolarHBondContact O-CG2 3.37Å; Q321-V325 PolarHBondContact O-N 3.44Å; E322-V325 PolarHBondContact O-N 3.48Å; L323-V325 VanDerWaalsContact C-N 3.33Å; L323-V325 PolarHBondContact O-N 2.8Å; V325-H328 WeakPolarHBondContact O-CB 3.36Å; V325-H328 PolarHBondContact O-N 3.36Å; V325-D329 VanDerWaalsContact O-CG 3.29Å; V325-D329 PolarHBondContact O-N 2.94Å |
| 326 | H | 91 | Very high | 90.1 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 7% | 0.069 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 178.5 | 179.9 | 47.6 | 0 | 0 | 0 | 112.5 | I286 E322 L323 H328 D329 E330 F358 | I286-H326 HydrophobicContact CG2-CB 3.7Å; I286-H326 VanDerWaalsContact CG2-CD2 3.44Å; I286-H326 WeakPolarHBondContact CG2-CD2 3.45Å; E322-H326 WeakPolarHBondContact O-CB 3.37Å; E322-H326 PolarHBondContact O-N 3.4Å; L323-H326 PolarHBondContact O-N 2.94Å; H326-H328 VanDerWaalsContact C-N 3.3Å; H326-H328 PolarHBondContact O-N 2.99Å; H326-D329 PolarHBondContact O-N 3.5Å; H326-E330 IonicContact CE1-OE2 3.73Å; H326-E330 PolarHBondContact CE1-OE2 2.86Å; H326-E330 IonicContact NE2-OE2 3.65Å; H326-E330 PolarHBondContact NE2-OE2 3.28Å; H326-E330 WeakPolarHBondContact O-CB 3.33Å; H326-E330 PolarHBondContact O-N 3.31Å; H326-F358 AromaticContact CD2-CE1 3.78Å; H326-F358 AromaticContact CD2-CZ 3.79Å; H326-F358 AromaticContact NE2-CZ 3.85Å |
| 327 | I | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 176 | -66.3 | 165.5 | 0 | 0 | 0 | 110.3 | L323 G331 F358 L376 A379 L380 | L323-I327 HydrophobicContact CD1-CD1 4.34Å; L323-I327 HydrophobicContact CD1-CG1 4.42Å; L323-I327 HydrophobicContact CD2-CD1 4.12Å; L323-I327 HydrophobicContact CG-CD1 3.72Å; L323-I327 HydrophobicContact CG-CG1 4.23Å; L323-I327 WeakPolarHBondContact O-CB 3.44Å; L323-I327 WeakPolarHBondContact O-CD1 3.27Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 2.89Å; I327-G331 PolarHBondContact O-N 3.23Å; I327-F358 HydrophobicContact CB-CD2 4.35Å; I327-F358 HydrophobicContact CB-CE2 4.2Å; I327-F358 HydrophobicContact CB-CZ 4.43Å; I327-F358 HydrophobicContact CD1-CB 4.44Å; I327-F358 HydrophobicContact CD1-CD1 4.19Å; I327-F358 HydrophobicContact CD1-CG 4.18Å; I327-F358 HydrophobicContact CG1-CB 4.47Å; I327-F358 HydrophobicContact CG1-CD1 3.67Å; I327-F358 HydrophobicContact CG1-CD2 3.78Å; I327-F358 HydrophobicContact CG1-CE1 3.72Å; I327-F358 HydrophobicContact CG1-CE2 3.82Å; I327-F358 HydrophobicContact CG1-CG 3.71Å; I327-F358 HydrophobicContact CG1-CZ 3.79Å; I327-F358 HydrophobicContact CG2-CD2 4.08Å; I327-F358 HydrophobicContact CG2-CE2 4.24Å; I327-L376 HydrophobicContact CD1-CB 4.01Å; I327-L376 HydrophobicContact CD1-CD1 3.87Å; I327-L376 HydrophobicContact CG1-CD1 4.46Å; I327-L376 HydrophobicContact CG2-CD1 3.79Å; I327-A379 HydrophobicContact CB-CB 3.76Å; I327-A379 HydrophobicContact CG2-CB 3.5Å; I327-L380 HydrophobicContact CG2-CD2 4.43Å; I327-L380 HydrophobicContact CG2-CG 4.41Å |
| 328 | H | 93.1 | Very high | 88.6 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 177.4 | 178.6 | -88 | 0 | 0 | 0 | 111.7 | Q324 V325 H326 E330 G331 I332 A379 S382 | Q324-H328 WeakPolarHBondContact O-CB 3.48Å; Q324-H328 PolarHBondContact O-N 3.02Å; V325-H328 WeakPolarHBondContact O-CB 3.36Å; V325-H328 PolarHBondContact O-N 3.36Å; H326-H328 VanDerWaalsContact C-N 3.3Å; H326-H328 PolarHBondContact O-N 2.99Å; H328-E330 VanDerWaalsContact C-N 3.33Å; H328-E330 PolarHBondContact O-N 3.03Å; H328-G331 PolarHBondContact O-N 2.89Å; H328-I332 WeakPolarHBondContact O-CG1 3.43Å; H328-I332 PolarHBondContact O-N 2.96Å; H328-A379 HydrophobicContact CB-CB 4.37Å; H328-S382 PolarHBondContact CD2-OG 2.92Å; H328-S382 PolarHBondContact NE2-OG 3.36Å |
| 329 | D | 90.9 | Very high | 87.3 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 179.1 | -69.5 | -13.3 | 0 | 0 | 0 | 111.7 | R287 V325 H326 R333 | R287-D329 IonicContact CZ-OD2 2.7Å; R287-D329 IonicContact NH1-OD2 3.87Å; R287-D329 PolarHBondContact NH1-OD2 3.42Å; R287-D329 IonicContact NH2-OD2 2.72Å; R287-D329 PolarHBondContact NH2-OD2 3.34Å; V325-D329 VanDerWaalsContact O-CG 3.29Å; V325-D329 PolarHBondContact O-N 2.94Å; H326-D329 PolarHBondContact O-N 3.5Å; D329-R333 WeakPolarHBondContact O-CB 3.32Å; D329-R333 PolarHBondContact O-N 3.49Å |
| 330 | E | 89.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.5 | -174.9 | 163.5 | 164.4 | 0 | 0 | 111.7 | K290 H326 H328 R333 A334 K357 F358 | K290-E330 VanDerWaalsContact CE-OE1 3.3Å; K290-E330 WeakPolarHBondContact CE-OE1 3.07Å; K290-E330 IonicContact NZ-OE1 3.54Å; K290-E330 PolarHBondContact NZ-OE1 3.35Å; H326-E330 IonicContact CE1-OE2 3.73Å; H326-E330 PolarHBondContact CE1-OE2 2.86Å; H326-E330 IonicContact NE2-OE2 3.65Å; H326-E330 PolarHBondContact NE2-OE2 3.28Å; H326-E330 WeakPolarHBondContact O-CB 3.33Å; H326-E330 PolarHBondContact O-N 3.31Å; H328-E330 VanDerWaalsContact C-N 3.33Å; H328-E330 PolarHBondContact O-N 3.03Å; E330-R333 PolarHBondContact O-N 3.15Å; E330-A334 WeakPolarHBondContact O-CB 3.34Å; E330-A334 PolarHBondContact O-N 3.21Å; E330-K357 WeakPolarHBondContact OE1-CD 3.41Å; E330-K357 IonicContact OE1-NZ 3.1Å; E330-K357 PolarHBondContact OE1-NZ 3.45Å; E330-K357 IonicContact OE2-NZ 3.6Å; E330-K357 PolarHBondContact OE2-NZ 3.22Å; E330-K357 VanDerWaalsContact OE2-NZ 3.12Å; E330-F358 HydrophobicContact CB-CE2 4.25Å; E330-F358 HydrophobicContact CB-CZ 4.34Å; E330-F358 HydrophobicContact CG-CE2 4.27Å; E330-F358 HydrophobicContact CG-CZ 4.48Å; E330-F358 WeakPolarHBondContact OE2-CZ 3.48Å |
| 331 | G | 90.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I327 H328 A334 T335 | I327-G331 PolarHBondContact O-N 3.23Å; H328-G331 PolarHBondContact O-N 2.89Å; G331-A334 PolarHBondContact O-N 3.46Å; G331-T335 WeakPolarHBondContact O-CB 3.41Å; G331-T335 WeakPolarHBondContact O-CG2 3.49Å; G331-T335 PolarHBondContact O-N 2.92Å; G331-T335 PolarHBondContact O-OG1 2.97Å |
| 332 | I | 89.1 | Confident | 83.2 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 173.7 | -66.3 | -60.5 | 0 | 0 | 0 | 110 | H328 A334 T335 S336 V383 H386 | H328-I332 WeakPolarHBondContact O-CG1 3.43Å; H328-I332 PolarHBondContact O-N 2.96Å; I332-A334 VanDerWaalsContact C-N 3.31Å; I332-A334 PolarHBondContact O-N 3.25Å; I332-T335 PolarHBondContact O-N 3.09Å; I332-T335 PolarHBondContact O-OG1 2.62Å; I332-S336 WeakPolarHBondContact CG2-OG 3.44Å; I332-S336 VanDerWaalsContact O-CB 3.27Å; I332-S336 WeakPolarHBondContact O-CB 3.27Å; I332-S336 PolarHBondContact O-N 3Å; I332-S336 PolarHBondContact O-OG 2.91Å; I332-V383 HydrophobicContact CD1-CB 4.47Å; I332-V383 HydrophobicContact CD1-CG1 4.35Å; I332-V383 HydrophobicContact CD1-CG2 4.32Å; I332-V383 HydrophobicContact CG1-CG2 4.3Å; I332-H386 HydrophobicContact CD1-CB 3.57Å; I332-H386 VanDerWaalsContact CD1-CG 3.44Å |
| 333 | R | 88.4 | Confident | 82.7 | Confident | 144 Ų | 144 | 63.6 Ų | 63.6 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 178.5 | -174.3 | -177.7 | 64.4 | -175.5 | -6 | 112.4 | D329 E330 | D329-R333 WeakPolarHBondContact O-CB 3.32Å; D329-R333 PolarHBondContact O-N 3.49Å; E330-R333 PolarHBondContact O-N 3.15Å |
| 334 | A | 86.8 | Confident | 82.3 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E330 G331 I332 L338 V354 | E330-A334 WeakPolarHBondContact O-CB 3.34Å; E330-A334 PolarHBondContact O-N 3.21Å; G331-A334 PolarHBondContact O-N 3.46Å; I332-A334 VanDerWaalsContact C-N 3.31Å; I332-A334 PolarHBondContact O-N 3.25Å; A334-L338 WeakPolarHBondContact O-CD2 3.39Å; A334-V354 HydrophobicContact CB-CG2 3.85Å |
| 335 | T | 84.9 | Confident | 82 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -89.8 | -18.2 | -175.5 | 54 | 0 | 0 | 0 | 0 | 114.7 | G331 I332 L338 F347 V351 V383 | G331-T335 WeakPolarHBondContact O-CB 3.41Å; G331-T335 WeakPolarHBondContact O-CG2 3.49Å; G331-T335 PolarHBondContact O-N 2.92Å; G331-T335 PolarHBondContact O-OG1 2.97Å; I332-T335 PolarHBondContact O-N 3.09Å; I332-T335 PolarHBondContact O-OG1 2.62Å; T335-L338 WeakPolarHBondContact O-CD1 3.47Å; T335-L338 WeakPolarHBondContact O-CG 3.48Å; T335-F347 HydrophobicContact CG2-CD2 4.06Å; T335-F347 HydrophobicContact CG2-CE2 3.91Å; T335-V351 HydrophobicContact CG2-CG2 3.64Å; T335-V383 HydrophobicContact CG2-CG1 4.21Å |
| 336 | S | 79.1 | Confident | 81.7 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 53% | 0.531 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.3 | -28.4 | -178.5 | -54.2 | 0 | 0 | 0 | 0 | 113.6 | I332 L338 | I332-S336 WeakPolarHBondContact CG2-OG 3.44Å; I332-S336 VanDerWaalsContact O-CB 3.27Å; I332-S336 WeakPolarHBondContact O-CB 3.27Å; I332-S336 PolarHBondContact O-N 3Å; I332-S336 PolarHBondContact O-OG 2.91Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 2.92Å |
| 337 | N | 72.3 | Confident | 81.7 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -91.6 | 27.1 | -171.5 | -69.8 | -13.4 | 0 | 0 | 0 | 113.9 | ||
| 338 | L | 77.1 | Confident | 81.6 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | trans | -90 | 137.5 | -170.7 | -55.8 | 178.5 | 0 | 0 | 0 | 112.3 | A334 T335 S336 M343 L346 F347 | A334-L338 WeakPolarHBondContact O-CD2 3.39Å; T335-L338 WeakPolarHBondContact O-CD1 3.47Å; T335-L338 WeakPolarHBondContact O-CG 3.48Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 2.92Å; L338-M343 HydrophobicContact CB-CE 3.84Å; L338-M343 HydrophobicContact CB-SD 3.44Å; L338-M343 WeakPolarHBondContact CB-SD 3.41Å; L338-L346 HydrophobicContact CD2-CB 4.02Å; L338-F347 VanDerWaalsContact CD1-CA 3.47Å; L338-F347 HydrophobicContact CD1-CB 3.78Å; L338-F347 HydrophobicContact CD1-CD2 4.13Å; L338-F347 HydrophobicContact CD1-CG 4.48Å | ||
| 339 | S | 63.8 | Low | 81.4 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | trans | -74.7 | 136.9 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | E341 N342 M343 | S339-E341 VanDerWaalsContact C-N 3.3Å; S339-E341 PolarHBondContact O-N 3.17Å; S339-E341 VanDerWaalsContact O-N 3.15Å; S339-N342 PolarHBondContact O-N 3.29Å; S339-M343 VanDerWaalsContact C-SD 3.51Å; S339-M343 VanDerWaalsContact O-CG 3.27Å; S339-M343 WeakPolarHBondContact O-CG 3.44Å; S339-M343 PolarHBondContact O-N 2.9Å | ||
| 340 | Q | 68.1 | Low | 81.4 | Confident | 185 Ų | 185 | 62.5 Ų | 62.5 | 86% | 0.864 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59 | -28.9 | -172 | -72.6 | -170.2 | -5.4 | 0 | 0 | 115.7 | M343 | Q340-M343 VanDerWaalsContact CA-CG 3.46Å; Q340-M343 WeakPolarHBondContact O-CG 3.39Å |
| 341 | E | 56 | Low | 81.5 | Confident | 189 Ų | 189 | 62.3 Ų | 62.3 | 88% | 0.883 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -71.3 | -33.8 | -174.3 | -74.6 | -172.8 | 145.9 | 0 | 0 | 114.3 | S339 | S339-E341 VanDerWaalsContact C-N 3.3Å; S339-E341 PolarHBondContact O-N 3.17Å; S339-E341 VanDerWaalsContact O-N 3.15Å |
| 342 | N | 67.4 | Low | 81.6 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -122.1 | 25.5 | -176.9 | -75.8 | -21.6 | 0 | 0 | 0 | 113.2 | S339 P344 T345 L346 | S339-N342 PolarHBondContact O-N 3.29Å; N342-P344 VanDerWaalsContact C-CD 3.46Å; N342-T345 PolarHBondContact O-N 3.38Å; N342-L346 HydrophobicContact CB-CD1 3.87Å; N342-L346 HydrophobicContact CB-CG 4.05Å; N342-L346 WeakPolarHBondContact O-CG 3.28Å; N342-L346 PolarHBondContact O-N 3.42Å; N342-L346 VanDerWaalsContact O-N 3.08Å |
| 343 | M | 78.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -47.3 | -46.4 | -173.2 | -71.9 | -66.6 | -68.1 | 0 | 0 | 115.4 | L338 S339 Q340 T345 F347 L398 | L338-M343 HydrophobicContact CB-CE 3.84Å; L338-M343 HydrophobicContact CB-SD 3.44Å; L338-M343 WeakPolarHBondContact CB-SD 3.41Å; S339-M343 VanDerWaalsContact C-SD 3.51Å; S339-M343 VanDerWaalsContact O-CG 3.27Å; S339-M343 WeakPolarHBondContact O-CG 3.44Å; S339-M343 PolarHBondContact O-N 2.9Å; Q340-M343 VanDerWaalsContact CA-CG 3.46Å; Q340-M343 WeakPolarHBondContact O-CG 3.39Å; M343-T345 PolarHBondContact O-N 2.95Å; M343-F347 WeakPolarHBondContact O-CB 3.24Å; M343-F347 PolarHBondContact O-N 3.21Å; M343-L398 HydrophobicContact CB-CD2 4.31Å |
| 344 | P | 84.6 | Confident | 81.9 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | -176.6 | -22.1 | 34.2 | 0 | 0 | 0 | 113.2 | N342 V348 L398 K401 | N342-P344 VanDerWaalsContact C-CD 3.46Å; P344-V348 WeakPolarHBondContact O-CG2 3.29Å; P344-V348 PolarHBondContact O-N 3.01Å; P344-L398 HydrophobicContact CB-CD2 4.41Å; P344-L398 HydrophobicContact CG-CD2 3.96Å; P344-K401 HydrophobicContact CB-CB 4.22Å; P344-K401 HydrophobicContact CG-CB 4.06Å |
| 345 | T | 86.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 26% | 0.258 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.9 | -49.9 | -178.4 | -57.1 | 0 | 0 | 0 | 0 | 111 | N342 M343 F347 V348 E349 Y402 | N342-T345 PolarHBondContact O-N 3.38Å; M343-T345 PolarHBondContact O-N 2.95Å; T345-F347 VanDerWaalsContact C-N 3.26Å; T345-F347 PolarHBondContact O-N 3.45Å; T345-V348 PolarHBondContact O-N 2.91Å; T345-E349 HydrophobicContact CG2-CG 4.36Å; T345-E349 WeakPolarHBondContact O-CB 3.25Å; T345-E349 WeakPolarHBondContact O-CG 3.43Å; T345-E349 PolarHBondContact O-N 3.38Å; T345-Y402 HydrophobicContact CG2-CE2 3.98Å |
| 346 | L | 87.1 | Confident | 82.5 | Confident | 59 Ų | 59 | 64 Ų | 64 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 178.9 | -64.5 | 171.8 | 0 | 0 | 0 | 111.3 | L338 N342 S350 | L338-L346 HydrophobicContact CD2-CB 4.02Å; N342-L346 HydrophobicContact CB-CD1 3.87Å; N342-L346 HydrophobicContact CB-CG 4.05Å; N342-L346 WeakPolarHBondContact O-CG 3.28Å; N342-L346 PolarHBondContact O-N 3.42Å; N342-L346 VanDerWaalsContact O-N 3.08Å; L346-S350 VanDerWaalsContact O-CB 3.26Å; L346-S350 WeakPolarHBondContact O-CB 3.38Å; L346-S350 PolarHBondContact O-N 3.48Å; L346-S350 PolarHBondContact O-OG 3.26Å |
| 347 | F | 89.4 | Confident | 83.1 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -50.7 | 177.1 | 177.1 | -98.1 | 0 | 0 | 0 | 112.5 | T335 L338 M343 T345 V351 A395 L398 L399 | T335-F347 HydrophobicContact CG2-CD2 4.06Å; T335-F347 HydrophobicContact CG2-CE2 3.91Å; L338-F347 VanDerWaalsContact CD1-CA 3.47Å; L338-F347 HydrophobicContact CD1-CB 3.78Å; L338-F347 HydrophobicContact CD1-CD2 4.13Å; L338-F347 HydrophobicContact CD1-CG 4.48Å; M343-F347 WeakPolarHBondContact O-CB 3.24Å; M343-F347 PolarHBondContact O-N 3.21Å; T345-F347 VanDerWaalsContact C-N 3.26Å; T345-F347 PolarHBondContact O-N 3.45Å; F347-V351 HydrophobicContact CE1-CG2 4.44Å; F347-V351 HydrophobicContact CE2-CG2 4.35Å; F347-V351 HydrophobicContact CZ-CG2 4.22Å; F347-V351 WeakPolarHBondContact O-CG2 3.42Å; F347-V351 PolarHBondContact O-N 3.26Å; F347-V351 VanDerWaalsContact O-N 3.1Å; F347-A395 HydrophobicContact CE1-CB 4.04Å; F347-A395 HydrophobicContact CZ-CB 3.84Å; F347-L398 HydrophobicContact CB-CD1 4.42Å; F347-L398 HydrophobicContact CD1-CB 4.48Å; F347-L398 HydrophobicContact CD1-CD1 4.39Å; F347-L398 HydrophobicContact CD2-CD1 4.48Å; F347-L398 HydrophobicContact CG-CD1 4.18Å; F347-L399 HydrophobicContact CE1-CD1 4.42Å |
| 348 | V | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | P344 T345 V351 L352 L399 Y402 V429 | P344-V348 WeakPolarHBondContact O-CG2 3.29Å; P344-V348 PolarHBondContact O-N 3.01Å; T345-V348 PolarHBondContact O-N 2.91Å; V348-V351 PolarHBondContact O-N 3.37Å; V348-L352 HydrophobicContact CG1-CD1 3.88Å; V348-L352 HydrophobicContact CG1-CG 4.37Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.24Å; V348-L399 HydrophobicContact CG2-CD2 3.52Å; V348-L399 HydrophobicContact CG2-CG 4.35Å; V348-Y402 HydrophobicContact CB-CD1 4.25Å; V348-Y402 HydrophobicContact CB-CD2 4.27Å; V348-Y402 HydrophobicContact CB-CE1 4.23Å; V348-Y402 HydrophobicContact CB-CE2 4.25Å; V348-Y402 HydrophobicContact CB-CG 4.24Å; V348-Y402 HydrophobicContact CG1-CD1 4.09Å; V348-Y402 HydrophobicContact CG1-CE1 3.77Å; V348-Y402 HydrophobicContact CG2-CD1 3.95Å; V348-Y402 HydrophobicContact CG2-CD2 4.19Å; V348-Y402 HydrophobicContact CG2-CE1 4.42Å; V348-Y402 HydrophobicContact CG2-CG 3.79Å; V348-V429 HydrophobicContact CG1-CG2 4.4Å |
| 349 | E | 89.4 | Confident | 84.7 | Confident | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 179.7 | -70.7 | 179 | 170.4 | 0 | 0 | 111.7 | T345 V351 L352 E353 K422 | T345-E349 HydrophobicContact CG2-CG 4.36Å; T345-E349 WeakPolarHBondContact O-CB 3.25Å; T345-E349 WeakPolarHBondContact O-CG 3.43Å; T345-E349 PolarHBondContact O-N 3.38Å; E349-V351 PolarHBondContact O-N 2.86Å; E349-L352 PolarHBondContact O-N 3.41Å; E349-E353 WeakPolarHBondContact O-CB 3.27Å; E349-E353 PolarHBondContact O-N 3.21Å; E349-K422 IonicContact OE1-NZ 2.7Å; E349-K422 PolarHBondContact OE1-NZ 2.88Å |
| 350 | S | 90.6 | Very high | 86 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.3 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | L346 E353 V354 | L346-S350 VanDerWaalsContact O-CB 3.26Å; L346-S350 WeakPolarHBondContact O-CB 3.38Å; L346-S350 PolarHBondContact O-N 3.48Å; L346-S350 PolarHBondContact O-OG 3.26Å; S350-E353 PolarHBondContact O-N 2.89Å; S350-V354 VanDerWaalsContact O-CG2 3.3Å; S350-V354 WeakPolarHBondContact O-CG2 3.43Å; S350-V354 PolarHBondContact O-N 2.89Å; S350-V354 VanDerWaalsContact O-N 3.11Å |
| 351 | V | 92.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.9 | T335 F347 V348 E349 V354 H355 V384 V429 | T335-V351 HydrophobicContact CG2-CG2 3.64Å; F347-V351 HydrophobicContact CE1-CG2 4.44Å; F347-V351 HydrophobicContact CE2-CG2 4.35Å; F347-V351 HydrophobicContact CZ-CG2 4.22Å; F347-V351 WeakPolarHBondContact O-CG2 3.42Å; F347-V351 PolarHBondContact O-N 3.26Å; F347-V351 VanDerWaalsContact O-N 3.1Å; V348-V351 PolarHBondContact O-N 3.37Å; E349-V351 PolarHBondContact O-N 2.86Å; V351-V354 PolarHBondContact O-N 3.35Å; V351-H355 WeakPolarHBondContact O-CB 3.35Å; V351-H355 PolarHBondContact O-N 3.4Å; V351-V384 HydrophobicContact CG1-CG2 3.92Å; V351-V384 HydrophobicContact CG2-CG2 4.32Å; V351-V429 HydrophobicContact CB-CG1 4.4Å; V351-V429 HydrophobicContact CB-CG2 4.31Å; V351-V429 HydrophobicContact CG1-CG1 3.96Å; V351-V429 HydrophobicContact CG1-CG2 3.91Å |
| 352 | L | 91.6 | Very high | 88.6 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.8 | -74.1 | 173.6 | 0 | 0 | 0 | 112.7 | V348 E349 H355 S356 S425 V429 | V348-L352 HydrophobicContact CG1-CD1 3.88Å; V348-L352 HydrophobicContact CG1-CG 4.37Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.24Å; E349-L352 PolarHBondContact O-N 3.41Å; L352-H355 PolarHBondContact O-N 2.88Å; L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3Å; L352-S425 WeakPolarHBondContact CD2-O 3.45Å; L352-V429 HydrophobicContact CD2-CG2 3.6Å; L352-V429 HydrophobicContact CG-CG2 3.75Å |
| 353 | E | 91.6 | Very high | 89.7 | Confident | 131 Ų | 131 | 39.9 Ų | 39.9 | 61% | 0.612 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.4 | -49.7 | 175.2 | -174.5 | -173.2 | 171.4 | 0 | 0 | 110.6 | E349 S350 H355 S356 K357 | E349-E353 WeakPolarHBondContact O-CB 3.27Å; E349-E353 PolarHBondContact O-N 3.21Å; S350-E353 PolarHBondContact O-N 2.89Å; E353-H355 PolarHBondContact O-N 3.1Å; E353-S356 PolarHBondContact O-N 3.01Å; E353-K357 WeakPolarHBondContact O-CB 3.32Å; E353-K357 PolarHBondContact O-N 3.05Å |
| 354 | V | 92.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | A334 S350 V351 K357 F358 L380 | A334-V354 HydrophobicContact CB-CG2 3.85Å; S350-V354 VanDerWaalsContact O-CG2 3.3Å; S350-V354 WeakPolarHBondContact O-CG2 3.43Å; S350-V354 PolarHBondContact O-N 2.89Å; S350-V354 VanDerWaalsContact O-N 3.11Å; V351-V354 PolarHBondContact O-N 3.35Å; V354-K357 PolarHBondContact O-N 3.38Å; V354-F358 HydrophobicContact CG1-CD2 3.74Å; V354-F358 HydrophobicContact CG1-CE2 3.83Å; V354-F358 VanDerWaalsContact O-CD2 3.24Å; V354-F358 WeakPolarHBondContact O-CD2 3.19Å; V354-F358 PolarHBondContact O-N 2.94Å; V354-F358 VanDerWaalsContact O-N 3.12Å; V354-L380 HydrophobicContact CG1-CD2 3.94Å |
| 355 | H | 93.4 | Very high | 90.3 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -52.2 | 176.4 | 173.8 | -83.9 | 0 | 0 | 0 | 111.7 | V351 L352 E353 K357 F358 V359 L380 Y432 | V351-H355 WeakPolarHBondContact O-CB 3.35Å; V351-H355 PolarHBondContact O-N 3.4Å; L352-H355 PolarHBondContact O-N 2.88Å; E353-H355 PolarHBondContact O-N 3.1Å; H355-K357 PolarHBondContact O-N 3.15Å; H355-F358 PolarHBondContact O-N 3.09Å; H355-V359 WeakPolarHBondContact O-CB 3.39Å; H355-V359 VanDerWaalsContact O-CG2 3.29Å; H355-V359 WeakPolarHBondContact O-CG2 3.39Å; H355-V359 PolarHBondContact O-N 2.98Å; H355-L380 HydrophobicContact CB-CD1 3.76Å; H355-Y432 PolarHBondContact CD2-OH 3.4Å; H355-Y432 VanDerWaalsContact CD2-OH 3.31Å |
| 356 | S | 92.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -44.9 | -178.6 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | L352 E353 F358 V359 Q360 | L352-S356 WeakPolarHBondContact O-CB 3.33Å; L352-S356 PolarHBondContact O-N 3Å; E353-S356 PolarHBondContact O-N 3.01Å; S356-F358 PolarHBondContact O-N 2.88Å; S356-V359 PolarHBondContact O-N 2.94Å; S356-Q360 WeakPolarHBondContact O-CB 3.41Å; S356-Q360 VanDerWaalsContact O-CG 3.3Å; S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.23Å |
| 357 | K | 90.4 | Very high | 90.5 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.4 | -52.6 | 176.5 | -175.4 | -162.3 | 176.8 | -141.7 | 0 | 111.4 | E289 E330 E353 V354 H355 Q360 L361 | E289-K357 WeakPolarHBondContact OE2-CE 3.35Å; E289-K357 IonicContact OE2-NZ 3.72Å; E289-K357 PolarHBondContact OE2-NZ 3.07Å; E330-K357 WeakPolarHBondContact OE1-CD 3.41Å; E330-K357 IonicContact OE1-NZ 3.1Å; E330-K357 PolarHBondContact OE1-NZ 3.45Å; E330-K357 IonicContact OE2-NZ 3.6Å; E330-K357 PolarHBondContact OE2-NZ 3.22Å; E330-K357 VanDerWaalsContact OE2-NZ 3.12Å; E353-K357 WeakPolarHBondContact O-CB 3.32Å; E353-K357 PolarHBondContact O-N 3.05Å; V354-K357 PolarHBondContact O-N 3.38Å; H355-K357 PolarHBondContact O-N 3.15Å; K357-Q360 PolarHBondContact O-N 2.92Å; K357-L361 PolarHBondContact O-N 3.46Å |
| 358 | F | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.5 | -30 | -175.7 | -75.1 | -66.8 | 0 | 0 | 0 | 113.3 | L323 H326 I327 E330 V354 H355 S356 L361 I362 L376 | L323-F358 HydrophobicContact CD1-CE1 4.41Å; H326-F358 AromaticContact CD2-CE1 3.78Å; H326-F358 AromaticContact CD2-CZ 3.79Å; H326-F358 AromaticContact NE2-CZ 3.85Å; I327-F358 HydrophobicContact CB-CD2 4.35Å; I327-F358 HydrophobicContact CB-CE2 4.2Å; I327-F358 HydrophobicContact CB-CZ 4.43Å; I327-F358 HydrophobicContact CD1-CB 4.44Å; I327-F358 HydrophobicContact CD1-CD1 4.19Å; I327-F358 HydrophobicContact CD1-CG 4.18Å; I327-F358 HydrophobicContact CG1-CB 4.47Å; I327-F358 HydrophobicContact CG1-CD1 3.67Å; I327-F358 HydrophobicContact CG1-CD2 3.78Å; I327-F358 HydrophobicContact CG1-CE1 3.72Å; I327-F358 HydrophobicContact CG1-CE2 3.82Å; I327-F358 HydrophobicContact CG1-CG 3.71Å; I327-F358 HydrophobicContact CG1-CZ 3.79Å; I327-F358 HydrophobicContact CG2-CD2 4.08Å; I327-F358 HydrophobicContact CG2-CE2 4.24Å; E330-F358 HydrophobicContact CB-CE2 4.25Å; E330-F358 HydrophobicContact CB-CZ 4.34Å; E330-F358 HydrophobicContact CG-CE2 4.27Å; E330-F358 HydrophobicContact CG-CZ 4.48Å; E330-F358 WeakPolarHBondContact OE2-CZ 3.48Å; V354-F358 HydrophobicContact CG1-CD2 3.74Å; V354-F358 HydrophobicContact CG1-CE2 3.83Å; V354-F358 VanDerWaalsContact O-CD2 3.24Å; V354-F358 WeakPolarHBondContact O-CD2 3.19Å; V354-F358 PolarHBondContact O-N 2.94Å; V354-F358 VanDerWaalsContact O-N 3.12Å; H355-F358 PolarHBondContact O-N 3.09Å; S356-F358 PolarHBondContact O-N 2.88Å; F358-L361 HydrophobicContact CD1-CD2 3.89Å; F358-L361 HydrophobicContact CE1-CD2 4.16Å; F358-L361 PolarHBondContact O-N 3.11Å; F358-I362 WeakPolarHBondContact O-CB 3.49Å; F358-I362 WeakPolarHBondContact O-CD1 3.29Å; F358-I362 WeakPolarHBondContact O-CG1 3.4Å; F358-I362 PolarHBondContact O-N 3.47Å; F358-L376 HydrophobicContact CB-CD1 3.66Å; F358-L376 HydrophobicContact CB-CD2 4.28Å; F358-L376 HydrophobicContact CG-CD1 4.38Å |
| 359 | V | 92.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 169.9 | 170 | 0 | 0 | 0 | 0 | 110.9 | H355 S356 I362 N363 M373 L376 | H355-V359 WeakPolarHBondContact O-CB 3.39Å; H355-V359 VanDerWaalsContact O-CG2 3.29Å; H355-V359 WeakPolarHBondContact O-CG2 3.39Å; H355-V359 PolarHBondContact O-N 2.98Å; S356-V359 PolarHBondContact O-N 2.94Å; V359-I362 PolarHBondContact O-N 3.33Å; V359-N363 WeakPolarHBondContact CG1-ND2 3.26Å; V359-N363 WeakPolarHBondContact O-CB 3.3Å; V359-N363 VanDerWaalsContact O-CG 3.24Å; V359-N363 PolarHBondContact O-N 3.48Å; V359-N363 PolarHBondContact O-ND2 2.87Å; V359-M373 HydrophobicContact CG2-CE 4.22Å; V359-L376 HydrophobicContact CG2-CD2 3.58Å |
| 360 | Q | 90.5 | Very high | 90.8 | Very high | 119 Ų | 119 | 46.9 Ų | 46.9 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 176.2 | -71.7 | 175.4 | 8.4 | 0 | 0 | 111.4 | S356 K357 N363 T364 | S356-Q360 WeakPolarHBondContact O-CB 3.41Å; S356-Q360 VanDerWaalsContact O-CG 3.3Å; S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.23Å; K357-Q360 PolarHBondContact O-N 2.92Å; Q360-N363 PolarHBondContact O-N 3.41Å; Q360-T364 VanDerWaalsContact O-CB 3.31Å; Q360-T364 WeakPolarHBondContact O-CB 3.47Å; Q360-T364 PolarHBondContact O-N 3.12Å; Q360-T364 PolarHBondContact O-OG1 3.48Å |
| 361 | L | 88.4 | Confident | 91 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 176.3 | -177.7 | 68.5 | 0 | 0 | 0 | 111.7 | E289 M302 L323 K357 F358 N363 T364 V365 | E289-L361 HydrophobicContact CG-CD1 4.41Å; M302-L361 HydrophobicContact CE-CD2 4.07Å; M302-L361 HydrophobicContact CE-CG 4.32Å; M302-L361 HydrophobicContact SD-CD1 4.21Å; M302-L361 HydrophobicContact SD-CD2 4.34Å; M302-L361 HydrophobicContact SD-CG 4.47Å; L323-L361 HydrophobicContact CD1-CD2 4.49Å; K357-L361 PolarHBondContact O-N 3.46Å; F358-L361 HydrophobicContact CD1-CD2 3.89Å; F358-L361 HydrophobicContact CE1-CD2 4.16Å; F358-L361 PolarHBondContact O-N 3.11Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 2.93Å; L361-T364 PolarHBondContact O-N 2.9Å; L361-V365 HydrophobicContact CD1-CB 4.4Å; L361-V365 HydrophobicContact CD1-CG2 3.82Å; L361-V365 WeakPolarHBondContact O-CB 3.4Å; L361-V365 PolarHBondContact O-N 3.45Å |
| 362 | I | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | -179.1 | -66.5 | 163.7 | 0 | 0 | 0 | 111 | L323 F358 V359 L366 N367 G368 F372 M373 L376 | L323-I362 HydrophobicContact CD2-CD1 4.47Å; L323-I362 HydrophobicContact CD2-CG1 4.29Å; F358-I362 WeakPolarHBondContact O-CB 3.49Å; F358-I362 WeakPolarHBondContact O-CD1 3.29Å; F358-I362 WeakPolarHBondContact O-CG1 3.4Å; F358-I362 PolarHBondContact O-N 3.47Å; V359-I362 PolarHBondContact O-N 3.33Å; I362-L366 HydrophobicContact CG1-CD1 4.17Å; I362-L366 HydrophobicContact CG2-CB 4.33Å; I362-L366 CarbonylContact O-C 3.58Å; I362-L366 VanDerWaalsContact O-C 3.22Å; I362-L366 WeakPolarHBondContact O-CA 3.47Å; I362-L366 WeakPolarHBondContact O-CB 3.42Å; I362-L366 PolarHBondContact O-N 3.43Å; I362-L366 VanDerWaalsContact O-N 3.08Å; I362-N367 PolarHBondContact O-N 2.92Å; I362-G368 PolarHBondContact O-N 2.84Å; I362-F372 HydrophobicContact CD1-CB 4.3Å; I362-F372 HydrophobicContact CG1-CB 4.26Å; I362-F372 HydrophobicContact CG2-CB 4.13Å; I362-M373 HydrophobicContact CB-SD 4.22Å; I362-M373 HydrophobicContact CD1-SD 3.94Å; I362-M373 HydrophobicContact CG2-CG 4.06Å; I362-M373 HydrophobicContact CG2-SD 3.8Å; I362-L376 HydrophobicContact CD1-CB 3.99Å; I362-L376 HydrophobicContact CD1-CD2 3.94Å |
| 363 | N | 91 | Very high | 91.2 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 179.7 | -73.2 | -26.9 | 0 | 0 | 0 | 112.7 | V359 Q360 L361 | V359-N363 WeakPolarHBondContact CG1-ND2 3.26Å; V359-N363 WeakPolarHBondContact O-CB 3.3Å; V359-N363 VanDerWaalsContact O-CG 3.24Å; V359-N363 PolarHBondContact O-N 3.48Å; V359-N363 PolarHBondContact O-ND2 2.87Å; Q360-N363 PolarHBondContact O-N 3.41Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 2.93Å |
| 364 | T | 87.2 | Confident | 91.3 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 65% | 0.65 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -81.4 | -44 | -175.1 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | Q360 L361 | Q360-T364 VanDerWaalsContact O-CB 3.31Å; Q360-T364 WeakPolarHBondContact O-CB 3.47Å; Q360-T364 PolarHBondContact O-N 3.12Å; Q360-T364 PolarHBondContact O-OG1 3.48Å; L361-T364 PolarHBondContact O-N 2.9Å |
| 365 | V | 87.9 | Confident | 91.5 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -103.1 | -35.3 | -168 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | S299 M302 A303 L361 | S299-V365 WeakPolarHBondContact O-CG1 3.33Å; S299-V365 WeakPolarHBondContact OG-CG2 3.38Å; M302-V365 HydrophobicContact CB-CG1 3.68Å; M302-V365 HydrophobicContact CG-CG1 3.62Å; M302-V365 HydrophobicContact SD-CG1 4.15Å; A303-V365 HydrophobicContact CB-CG1 3.94Å; L361-V365 HydrophobicContact CD1-CB 4.4Å; L361-V365 HydrophobicContact CD1-CG2 3.82Å; L361-V365 WeakPolarHBondContact O-CB 3.4Å; L361-V365 PolarHBondContact O-N 3.45Å |
| 366 | L | 89.1 | Confident | 91.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -106.4 | 16.3 | -174.8 | -52.2 | 180 | 0 | 0 | 0 | 112.6 | M302 Y306 M319 L323 I362 G368 D369 F372 | M302-L366 HydrophobicContact CE-CD1 3.73Å; M302-L366 HydrophobicContact CE-CD2 3.85Å; M302-L366 HydrophobicContact CE-CG 3.97Å; M302-L366 HydrophobicContact CG-CD2 4.23Å; Y306-L366 HydrophobicContact CD2-CB 4.46Å; Y306-L366 HydrophobicContact CD2-CD2 3.95Å; Y306-L366 HydrophobicContact CG-CD2 3.82Å; M319-L366 HydrophobicContact CE-CD2 3.58Å; L323-L366 HydrophobicContact CD2-CD1 4.08Å; I362-L366 HydrophobicContact CG1-CD1 4.17Å; I362-L366 HydrophobicContact CG2-CB 4.33Å; I362-L366 CarbonylContact O-C 3.58Å; I362-L366 VanDerWaalsContact O-C 3.22Å; I362-L366 WeakPolarHBondContact O-CA 3.47Å; I362-L366 WeakPolarHBondContact O-CB 3.42Å; I362-L366 PolarHBondContact O-N 3.43Å; I362-L366 VanDerWaalsContact O-N 3.08Å; L366-G368 PolarHBondContact O-N 2.84Å; L366-G368 VanDerWaalsContact O-N 3.09Å; L366-D369 WeakPolarHBondContact O-CB 3.45Å; L366-D369 PolarHBondContact O-N 3.29Å; L366-F372 HydrophobicContact CD1-CB 4.04Å; L366-F372 HydrophobicContact CD1-CD1 3.6Å; L366-F372 HydrophobicContact CD1-CD2 4.01Å; L366-F372 HydrophobicContact CD1-CE1 3.9Å; L366-F372 HydrophobicContact CD1-CE2 4.29Å; L366-F372 HydrophobicContact CD1-CG 3.61Å; L366-F372 HydrophobicContact CD1-CZ 4.23Å |
| 367 | N | 89.4 | Confident | 91.6 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 59% | 0.594 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30 | 177.2 | -66.9 | -35.5 | 0 | 0 | 0 | 114.9 | Y306 I362 D369 | Y306-N367 HydrophobicContact CE1-CB 4.27Å; I362-N367 PolarHBondContact O-N 2.92Å; N367-D369 VanDerWaalsContact C-N 3.33Å; N367-D369 PolarHBondContact O-N 3.49Å |
| 368 | G | 89.1 | Confident | 91.8 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 27 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I362 L366 Q370 | I362-G368 PolarHBondContact O-N 2.84Å; L366-G368 PolarHBondContact O-N 2.84Å; L366-G368 VanDerWaalsContact O-N 3.09Å; G368-Q370 PolarHBondContact O-N 2.9Å; G368-Q370 PolarHBondContact O-NE2 3.29Å |
| 369 | D | 92.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | trans | -61.4 | 128.6 | -177.3 | -169.3 | -53.7 | 0 | 0 | 0 | 112.7 | Y306 L366 N367 H371 F372 M373 | Y306-D369 HydrophobicContact CE2-CB 4.15Å; Y306-D369 PolarHBondContact OH-OD2 3.31Å; L366-D369 WeakPolarHBondContact O-CB 3.45Å; L366-D369 PolarHBondContact O-N 3.29Å; N367-D369 VanDerWaalsContact C-N 3.33Å; N367-D369 PolarHBondContact O-N 3.49Å; D369-H371 VanDerWaalsContact C-N 3.28Å; D369-H371 PolarHBondContact O-N 3.4Å; D369-H371 WeakPolarHBondContact OD1-CB 3.45Å; D369-H371 IonicContact OD1-CG 2.67Å; D369-H371 PolarHBondContact OD1-N 3.12Å; D369-H371 IonicContact OD1-ND1 3.38Å; D369-H371 PolarHBondContact OD1-ND1 3.41Å; D369-F372 HydrophobicContact CB-CD2 3.86Å; D369-F372 PolarHBondContact O-N 3.41Å; D369-M373 PolarHBondContact O-N 3.01Å; D369-M373 VanDerWaalsContact O-N 3.12Å | ||
| 370 | Q | 93.8 | Very high | 92 | Very high | 144 Ų | 144 | 48.9 Ų | 48.9 | 67% | 0.673 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.7 | -27.5 | -174 | -64.7 | -60.4 | -57.9 | 0 | 0 | 113.5 | G368 F372 M373 S374 | G368-Q370 PolarHBondContact O-N 2.9Å; G368-Q370 PolarHBondContact O-NE2 3.29Å; Q370-F372 VanDerWaalsContact C-N 3.35Å; Q370-M373 PolarHBondContact O-N 2.91Å; Q370-S374 WeakPolarHBondContact O-CB 3.31Å; Q370-S374 PolarHBondContact O-N 3.32Å |
| 371 | H | 93.5 | Very high | 92.1 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.537 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.2 | -56.7 | 92.2 | 0 | 0 | 0 | 111.1 | I320 D369 S374 A375 | I320-H371 HydrophobicContact CD1-CB 3.63Å; I320-H371 HydrophobicContact CG1-CB 4.37Å; D369-H371 VanDerWaalsContact C-N 3.28Å; D369-H371 PolarHBondContact O-N 3.4Å; D369-H371 WeakPolarHBondContact OD1-CB 3.45Å; D369-H371 IonicContact OD1-CG 2.67Å; D369-H371 PolarHBondContact OD1-N 3.12Å; D369-H371 IonicContact OD1-ND1 3.38Å; D369-H371 PolarHBondContact OD1-ND1 3.41Å; H371-S374 PolarHBondContact O-N 3.28Å; H371-A375 PolarHBondContact O-N 3.21Å |
| 372 | F | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.3 | -36.9 | 176.1 | -70.6 | -81.9 | 0 | 0 | 0 | 111.9 | Y306 L316 M319 I320 L323 I362 L366 D369 Q370 S374 A375 L376 | Y306-F372 AromaticContact CD2-CE2 3.79Å; Y306-F372 HydrophobicContact CD2-CE2 3.79Å; Y306-F372 HydrophobicContact CD2-CZ 4.31Å; Y306-F372 HydrophobicContact CE2-CD2 4.38Å; Y306-F372 AromaticContact CE2-CE2 3.77Å; Y306-F372 HydrophobicContact CE2-CE2 3.77Å; L316-F372 HydrophobicContact CD2-CE2 4.26Å; L316-F372 HydrophobicContact CD2-CZ 4.4Å; M319-F372 HydrophobicContact CB-CE1 4.39Å; M319-F372 HydrophobicContact CB-CZ 4.24Å; M319-F372 HydrophobicContact CE-CE1 4.47Å; M319-F372 HydrophobicContact CE-CZ 4.29Å; M319-F372 HydrophobicContact CG-CE1 3.93Å; M319-F372 HydrophobicContact CG-CZ 3.91Å; M319-F372 HydrophobicContact SD-CE1 4.26Å; M319-F372 HydrophobicContact SD-CZ 3.76Å; I320-F372 HydrophobicContact CB-CE1 4.32Å; I320-F372 HydrophobicContact CG1-CD1 3.96Å; I320-F372 HydrophobicContact CG1-CD2 4.28Å; I320-F372 HydrophobicContact CG1-CE1 3.67Å; I320-F372 HydrophobicContact CG1-CE2 4Å; I320-F372 HydrophobicContact CG1-CG 4.31Å; I320-F372 HydrophobicContact CG1-CZ 3.71Å; L323-F372 HydrophobicContact CB-CD1 4.33Å; L323-F372 HydrophobicContact CB-CE1 4.48Å; L323-F372 HydrophobicContact CD2-CB 4.33Å; L323-F372 HydrophobicContact CD2-CD1 3.49Å; L323-F372 VanDerWaalsContact CD2-CD1 3.49Å; L323-F372 HydrophobicContact CD2-CE1 4.24Å; L323-F372 HydrophobicContact CD2-CG 4.34Å; I362-F372 HydrophobicContact CD1-CB 4.3Å; I362-F372 HydrophobicContact CG1-CB 4.26Å; I362-F372 HydrophobicContact CG2-CB 4.13Å; L366-F372 HydrophobicContact CD1-CB 4.04Å; L366-F372 HydrophobicContact CD1-CD1 3.6Å; L366-F372 HydrophobicContact CD1-CD2 4.01Å; L366-F372 HydrophobicContact CD1-CE1 3.9Å; L366-F372 HydrophobicContact CD1-CE2 4.29Å; L366-F372 HydrophobicContact CD1-CG 3.61Å; L366-F372 HydrophobicContact CD1-CZ 4.23Å; D369-F372 HydrophobicContact CB-CD2 3.86Å; D369-F372 PolarHBondContact O-N 3.41Å; Q370-F372 VanDerWaalsContact C-N 3.35Å; F372-S374 VanDerWaalsContact C-N 3.34Å; F372-S374 PolarHBondContact O-N 3.35Å; F372-A375 WeakPolarHBondContact O-CB 3.42Å; F372-A375 PolarHBondContact O-N 3.45Å; F372-L376 PolarHBondContact O-N 3.12Å |
| 373 | M | 94 | Very high | 92.3 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 170.5 | -68.4 | -62.4 | -68 | 0 | 0 | 111.7 | V359 I362 D369 Q370 A375 L376 D377 | V359-M373 HydrophobicContact CG2-CE 4.22Å; I362-M373 HydrophobicContact CB-SD 4.22Å; I362-M373 HydrophobicContact CD1-SD 3.94Å; I362-M373 HydrophobicContact CG2-CG 4.06Å; I362-M373 HydrophobicContact CG2-SD 3.8Å; D369-M373 PolarHBondContact O-N 3.01Å; D369-M373 VanDerWaalsContact O-N 3.12Å; Q370-M373 PolarHBondContact O-N 2.91Å; M373-A375 VanDerWaalsContact C-N 3.31Å; M373-A375 PolarHBondContact O-N 3Å; M373-L376 WeakPolarHBondContact O-CB 3.42Å; M373-L376 PolarHBondContact O-N 3.33Å; M373-D377 PolarHBondContact O-N 3.18Å |
| 374 | S | 94.7 | Very high | 92.2 | Very high | 50 Ų | 50 | 43.2 Ų | 43.2 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -35.9 | 175.1 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | Q370 H371 F372 D377 K378 | Q370-S374 WeakPolarHBondContact O-CB 3.31Å; Q370-S374 PolarHBondContact O-N 3.32Å; H371-S374 PolarHBondContact O-N 3.28Å; F372-S374 VanDerWaalsContact C-N 3.34Å; F372-S374 PolarHBondContact O-N 3.35Å; S374-D377 PolarHBondContact O-N 2.85Å; S374-K378 WeakPolarHBondContact O-CB 3.28Å; S374-K378 VanDerWaalsContact O-CG 3.27Å; S374-K378 WeakPolarHBondContact O-CG 3.3Å; S374-K378 PolarHBondContact O-N 3.03Å |
| 375 | A | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I320 Q324 H371 F372 M373 K378 A379 | I320-A375 HydrophobicContact CG2-CB 3.64Å; Q324-A375 HydrophobicContact CB-CB 4.15Å; Q324-A375 HydrophobicContact CG-CB 4.48Å; H371-A375 PolarHBondContact O-N 3.21Å; F372-A375 WeakPolarHBondContact O-CB 3.42Å; F372-A375 PolarHBondContact O-N 3.45Å; M373-A375 VanDerWaalsContact C-N 3.31Å; M373-A375 PolarHBondContact O-N 3Å; A375-K378 PolarHBondContact O-N 2.96Å; A375-A379 WeakPolarHBondContact O-CB 3.36Å; A375-A379 PolarHBondContact O-N 3.39Å |
| 376 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -50.1 | 171.1 | 170.6 | 64.9 | 0 | 0 | 0 | 111.3 | I327 F358 V359 I362 F372 M373 K378 A379 L380 | I327-L376 HydrophobicContact CD1-CB 4.01Å; I327-L376 HydrophobicContact CD1-CD1 3.87Å; I327-L376 HydrophobicContact CG1-CD1 4.46Å; I327-L376 HydrophobicContact CG2-CD1 3.79Å; F358-L376 HydrophobicContact CB-CD1 3.66Å; F358-L376 HydrophobicContact CB-CD2 4.28Å; F358-L376 HydrophobicContact CG-CD1 4.38Å; V359-L376 HydrophobicContact CG2-CD2 3.58Å; I362-L376 HydrophobicContact CD1-CB 3.99Å; I362-L376 HydrophobicContact CD1-CD2 3.94Å; F372-L376 PolarHBondContact O-N 3.12Å; M373-L376 WeakPolarHBondContact O-CB 3.42Å; M373-L376 PolarHBondContact O-N 3.33Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 2.63Å; L376-A379 PolarHBondContact O-N 3.4Å; L376-L380 HydrophobicContact CD1-CD1 3.58Å; L376-L380 HydrophobicContact CD1-CG 3.88Å; L376-L380 HydrophobicContact CG-CD1 4.02Å; L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 WeakPolarHBondContact O-CG 3.36Å; L376-L380 PolarHBondContact O-N 2.89Å |
| 377 | D | 93.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 178.9 | -73.5 | -29.3 | 0 | 0 | 0 | 111.9 | M373 S374 T381 Y432 | M373-D377 PolarHBondContact O-N 3.18Å; S374-D377 PolarHBondContact O-N 2.85Å; D377-T381 VanDerWaalsContact O-CB 3.27Å; D377-T381 WeakPolarHBondContact O-CB 3.44Å; D377-T381 PolarHBondContact O-N 3.43Å; D377-T381 PolarHBondContact O-OG1 2.91Å; D377-Y432 HydrophobicContact CB-CE1 4.01Å; D377-Y432 VanDerWaalsContact OD1-CE1 3.27Å; D377-Y432 WeakPolarHBondContact OD1-CE1 3.41Å; D377-Y432 PolarHBondContact OD1-OH 3.06Å |
| 378 | K | 93.6 | Very high | 90.8 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.6 | -74.4 | 171.5 | -174 | 172.9 | 0 | 112 | S374 A375 L376 S382 | S374-K378 WeakPolarHBondContact O-CB 3.28Å; S374-K378 VanDerWaalsContact O-CG 3.27Å; S374-K378 WeakPolarHBondContact O-CG 3.3Å; S374-K378 PolarHBondContact O-N 3.03Å; A375-K378 PolarHBondContact O-N 2.96Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 2.63Å; K378-S382 PolarHBondContact O-N 3.44Å |
| 379 | A | 95 | Very high | 89.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q324 I327 H328 A375 L376 T381 S382 V383 | Q324-A379 HydrophobicContact CG-CB 3.93Å; Q324-A379 WeakPolarHBondContact O-CB 3.46Å; I327-A379 HydrophobicContact CB-CB 3.76Å; I327-A379 HydrophobicContact CG2-CB 3.5Å; H328-A379 HydrophobicContact CB-CB 4.37Å; A375-A379 WeakPolarHBondContact O-CB 3.36Å; A375-A379 PolarHBondContact O-N 3.39Å; L376-A379 PolarHBondContact O-N 3.4Å; A379-T381 PolarHBondContact O-N 3.41Å; A379-S382 WeakPolarHBondContact O-CA 3.24Å; A379-S382 WeakPolarHBondContact O-CB 3.36Å; A379-S382 PolarHBondContact O-N 3Å; A379-S382 VanDerWaalsContact O-N 3.09Å; A379-V383 WeakPolarHBondContact O-CG2 3.43Å; A379-V383 PolarHBondContact O-N 3.32Å |
| 380 | L | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 178.1 | -72.3 | 177.6 | 0 | 0 | 0 | 112.6 | I327 V354 H355 L376 S382 V383 V384 Y432 | I327-L380 HydrophobicContact CG2-CD2 4.43Å; I327-L380 HydrophobicContact CG2-CG 4.41Å; V354-L380 HydrophobicContact CG1-CD2 3.94Å; H355-L380 HydrophobicContact CB-CD1 3.76Å; L376-L380 HydrophobicContact CD1-CD1 3.58Å; L376-L380 HydrophobicContact CD1-CG 3.88Å; L376-L380 HydrophobicContact CG-CD1 4.02Å; L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 WeakPolarHBondContact O-CG 3.36Å; L376-L380 PolarHBondContact O-N 2.89Å; L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.38Å; L380-V383 PolarHBondContact O-N 3.48Å; L380-V384 WeakPolarHBondContact O-CB 3.3Å; L380-V384 VanDerWaalsContact O-CG2 3.32Å; L380-V384 WeakPolarHBondContact O-CG2 3.11Å; L380-V384 PolarHBondContact O-N 3.21Å; L380-Y432 HydrophobicContact CB-CD1 4.49Å; L380-Y432 HydrophobicContact CB-CD2 3.99Å; L380-Y432 HydrophobicContact CB-CE1 4.43Å; L380-Y432 HydrophobicContact CB-CE2 3.92Å; L380-Y432 HydrophobicContact CB-CG 4.29Å; L380-Y432 HydrophobicContact CD1-CD2 4.46Å; L380-Y432 HydrophobicContact CD1-CE2 3.68Å; L380-Y432 HydrophobicContact CG-CE2 4.47Å |
| 381 | T | 93.1 | Very high | 86 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 170.8 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | D377 A379 N385 Y432 | D377-T381 VanDerWaalsContact O-CB 3.27Å; D377-T381 WeakPolarHBondContact O-CB 3.44Å; D377-T381 PolarHBondContact O-N 3.43Å; D377-T381 PolarHBondContact O-OG1 2.91Å; A379-T381 PolarHBondContact O-N 3.41Å; T381-N385 WeakPolarHBondContact O-CB 3.16Å; T381-N385 PolarHBondContact O-N 3.43Å; T381-N385 VanDerWaalsContact O-N 3.15Å; T381-N385 PolarHBondContact O-ND2 3.04Å; T381-Y432 WeakPolarHBondContact OG1-CD1 3.45Å |
| 382 | S | 91.6 | Very high | 84.8 | Confident | 57 Ų | 57 | 63 Ų | 63 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | H328 K378 A379 L380 H386 | H328-S382 PolarHBondContact CD2-OG 2.92Å; H328-S382 PolarHBondContact NE2-OG 3.36Å; K378-S382 PolarHBondContact O-N 3.44Å; A379-S382 WeakPolarHBondContact O-CA 3.24Å; A379-S382 WeakPolarHBondContact O-CB 3.36Å; A379-S382 PolarHBondContact O-N 3Å; A379-S382 VanDerWaalsContact O-N 3.09Å; L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.38Å; S382-H386 PolarHBondContact O-N 2.97Å; S382-H386 VanDerWaalsContact O-N 3.08Å |
| 383 | V | 91.3 | Very high | 83.9 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -49.9 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | I332 T335 A379 L380 N385 H386 | I332-V383 HydrophobicContact CD1-CB 4.47Å; I332-V383 HydrophobicContact CD1-CG1 4.35Å; I332-V383 HydrophobicContact CD1-CG2 4.32Å; I332-V383 HydrophobicContact CG1-CG2 4.3Å; T335-V383 HydrophobicContact CG2-CG1 4.21Å; A379-V383 WeakPolarHBondContact O-CG2 3.43Å; A379-V383 PolarHBondContact O-N 3.32Å; L380-V383 PolarHBondContact O-N 3.48Å; V383-N385 VanDerWaalsContact C-N 3.3Å; V383-N385 PolarHBondContact O-N 2.81Å; V383-H386 WeakPolarHBondContact O-CB 3.43Å; V383-H386 PolarHBondContact O-N 3.39Å; V383-H386 VanDerWaalsContact O-N 3.15Å |
| 384 | V | 90.4 | Very high | 83.3 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | -177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | V351 L380 H386 A395 V429 I433 | V351-V384 HydrophobicContact CG1-CG2 3.92Å; V351-V384 HydrophobicContact CG2-CG2 4.32Å; L380-V384 WeakPolarHBondContact O-CB 3.3Å; L380-V384 VanDerWaalsContact O-CG2 3.32Å; L380-V384 WeakPolarHBondContact O-CG2 3.11Å; L380-V384 PolarHBondContact O-N 3.21Å; V384-H386 VanDerWaalsContact C-N 3.33Å; V384-A395 HydrophobicContact CG1-CB 4.06Å; V384-A395 WeakPolarHBondContact O-CB 3.42Å; V384-V429 HydrophobicContact CG2-CG1 4.31Å; V384-I433 HydrophobicContact CG1-CG1 4.22Å |
| 385 | N | 88.8 | Confident | 83 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 12.5 | 178.5 | -57.9 | -65 | 0 | 0 | 0 | 113 | T381 V383 R387 Y432 D434 | T381-N385 WeakPolarHBondContact O-CB 3.16Å; T381-N385 PolarHBondContact O-N 3.43Å; T381-N385 VanDerWaalsContact O-N 3.15Å; T381-N385 PolarHBondContact O-ND2 3.04Å; V383-N385 VanDerWaalsContact C-N 3.3Å; V383-N385 PolarHBondContact O-N 2.81Å; N385-R387 PolarHBondContact O-N 3.09Å; N385-Y432 PolarHBondContact ND2-O 3.24Å; N385-D434 PolarHBondContact OD1-N 3.08Å |
| 386 | H | 85.1 | Confident | 82.8 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | trans | -63.2 | 136 | 177.4 | -172.3 | 77 | 0 | 0 | 0 | 110.5 | I332 S382 V383 V384 | I332-H386 HydrophobicContact CD1-CB 3.57Å; I332-H386 VanDerWaalsContact CD1-CG 3.44Å; S382-H386 PolarHBondContact O-N 2.97Å; S382-H386 VanDerWaalsContact O-N 3.08Å; V383-H386 WeakPolarHBondContact O-CB 3.43Å; V383-H386 PolarHBondContact O-N 3.39Å; V383-H386 VanDerWaalsContact O-N 3.15Å; V384-H386 VanDerWaalsContact C-N 3.33Å | ||
| 387 | R | 77.6 | Confident | 82.5 | Confident | 185 Ų | 185 | 66.6 Ų | 66.6 | 70% | 0.698 | 33% | 0.329 | S | S | * | . | trans | -133.5 | 127.3 | 180 | 60.3 | -174.4 | -180 | -171.2 | -2.7 | 109.8 | N385 | N385-R387 PolarHBondContact O-N 3.09Š| ||
| 388 | E | 71.7 | Confident | 82.3 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | trans | -63 | 144.7 | 167.1 | -70.4 | -169.2 | 172.1 | 0 | 0 | 110.1 | K390 S391 | E388-K390 PolarHBondContact O-N 3.44Å; E388-K390 VanDerWaalsContact O-N 3.14Å; E388-S391 PolarHBondContact O-N 3.45Å | ||
| 389 | P | 52.7 | Low | 82.2 | Confident | 124 Ų | 124 | 59 Ų | 59 | 81% | 0.805 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 122.7 | 178 | 22.3 | -30.3 | 0 | 0 | 0 | 109.8 | ||
| 390 | K | 56.2 | Low | 82.1 | Confident | 222 Ų | 222 | 59 Ų | 59 | 97% | 0.965 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -7.2 | -173.3 | -50.4 | 173.5 | -179.7 | 177.8 | 0 | 116.7 | E388 | E388-K390 PolarHBondContact O-N 3.44Å; E388-K390 VanDerWaalsContact O-N 3.14Å |
| 391 | S | 64.7 | Low | 81.9 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | trans | -95.2 | 143 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | E388 | E388-S391 PolarHBondContact O-N 3.45Š| ||
| 392 | I | 69.6 | Low | 81.9 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | trans | -74.2 | 146.9 | 170.8 | -61.5 | 160.4 | 0 | 0 | 0 | 108.4 | K394 | I392-K394 PolarHBondContact O-N 2.97Å; I392-K394 VanDerWaalsContact O-N 3.16Å | ||
| 393 | C | 74.7 | Confident | 81.9 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 12% | 0.122 | 27% | 0.274 | C | S | . | . | trans | -62 | 115.9 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 394 | K | 82.1 | Confident | 81.9 | Confident | 126 Ų | 126 | 57 Ų | 57 | 55% | 0.548 | 28% | 0.275 | S | S | . | . | trans | -90 | -12.1 | -178.9 | -65.9 | -178.7 | -176.7 | 172.9 | 0 | 112.9 | I392 E397 L398 | I392-K394 PolarHBondContact O-N 2.97Å; I392-K394 VanDerWaalsContact O-N 3.16Å; K394-E397 WeakPolarHBondContact O-CB 3.34Å; K394-E397 PolarHBondContact O-N 3.11Å; K394-E397 VanDerWaalsContact O-N 3.14Å; K394-L398 HydrophobicContact CB-CD1 4.35Å; K394-L398 HydrophobicContact CB-CG 4.45Å; K394-L398 WeakPolarHBondContact O-CG 2.84Å; K394-L398 PolarHBondContact O-N 3.18Å | ||
| 395 | A | 86.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -46.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F347 V384 E397 L398 L399 | F347-A395 HydrophobicContact CE1-CB 4.04Å; F347-A395 HydrophobicContact CZ-CB 3.84Å; V384-A395 HydrophobicContact CG1-CB 4.06Å; V384-A395 WeakPolarHBondContact O-CB 3.42Å; A395-E397 VanDerWaalsContact C-N 3.28Å; A395-E397 PolarHBondContact O-N 2.92Å; A395-L398 PolarHBondContact O-N 2.76Å; A395-L399 HydrophobicContact CB-CD1 4.44Å; A395-L399 VanDerWaalsContact O-CB 3.31Å; A395-L399 WeakPolarHBondContact O-CB 3.39Å; A395-L399 VanDerWaalsContact O-CD1 3.3Å; A395-L399 WeakPolarHBondContact O-CD1 3.41Å; A395-L399 VanDerWaalsContact O-CG 3.31Å; A395-L399 WeakPolarHBondContact O-CG 3.33Å; A395-L399 PolarHBondContact O-N 3.4Å |
| 396 | P | 90.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 178.5 | -20.7 | 30.7 | 0 | 0 | 0 | 113.2 | A400 I433 D435 V438 F439 | P396-A400 PolarHBondContact O-N 3.26Å; P396-A400 VanDerWaalsContact O-N 3.09Å; P396-I433 HydrophobicContact CB-CG2 4.37Å; P396-I433 HydrophobicContact CG-CG2 3.86Å; P396-D435 HydrophobicContact CG-CB 4.03Å; P396-V438 HydrophobicContact CB-CB 4.02Å; P396-V438 HydrophobicContact CB-CG1 3.98Å; P396-V438 HydrophobicContact CG-CB 4.42Å; P396-F439 HydrophobicContact CB-CB 4.04Å |
| 397 | E | 89.1 | Confident | 82.1 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -44.2 | 178.5 | -172.9 | -169.1 | 140.6 | 0 | 0 | 111.5 | K394 A395 L399 A400 K401 F442 R700 | K394-E397 WeakPolarHBondContact O-CB 3.34Å; K394-E397 PolarHBondContact O-N 3.11Å; K394-E397 VanDerWaalsContact O-N 3.14Å; A395-E397 VanDerWaalsContact C-N 3.28Å; A395-E397 PolarHBondContact O-N 2.92Å; E397-L399 VanDerWaalsContact C-N 3.32Å; E397-L399 PolarHBondContact O-N 3.48Å; E397-A400 PolarHBondContact O-N 3Å; E397-K401 WeakPolarHBondContact O-CG 3.48Å; E397-K401 PolarHBondContact O-N 3.37Å; E397-K401 VanDerWaalsContact OE1-CE 3.29Å; E397-K401 WeakPolarHBondContact OE1-CE 3.35Å; E397-K401 IonicContact OE1-NZ 2.79Å; E397-K401 PolarHBondContact OE1-NZ 3.01Å; E397-F442 HydrophobicContact CB-CD2 4.43Å; E397-F442 HydrophobicContact CB-CE2 4.43Å; E397-F442 HydrophobicContact CG-CD1 4.2Å; E397-F442 HydrophobicContact CG-CD2 4.4Å; E397-F442 HydrophobicContact CG-CE1 4.1Å; E397-F442 HydrophobicContact CG-CE2 4.31Å; E397-F442 HydrophobicContact CG-CG 4.37Å; E397-F442 HydrophobicContact CG-CZ 4.17Å; E397-R700 IonicContact OE2-CZ 3.76Å; E397-R700 IonicContact OE2-NE 2.78Å; E397-R700 IonicContact OE2-NH2 2.69Å; E397-R700 PolarHBondContact OE2-NH2 3.44Å |
| 398 | L | 89.6 | Confident | 82.6 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.131 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.8 | -68.5 | 175.7 | 0 | 0 | 0 | 111.1 | M343 P344 F347 K394 A395 A400 K401 Y402 | M343-L398 HydrophobicContact CB-CD2 4.31Å; P344-L398 HydrophobicContact CB-CD2 4.41Å; P344-L398 HydrophobicContact CG-CD2 3.96Å; F347-L398 HydrophobicContact CB-CD1 4.42Å; F347-L398 HydrophobicContact CD1-CB 4.48Å; F347-L398 HydrophobicContact CD1-CD1 4.39Å; F347-L398 HydrophobicContact CD2-CD1 4.48Å; F347-L398 HydrophobicContact CG-CD1 4.18Å; K394-L398 HydrophobicContact CB-CD1 4.35Å; K394-L398 HydrophobicContact CB-CG 4.45Å; K394-L398 WeakPolarHBondContact O-CG 2.84Å; K394-L398 PolarHBondContact O-N 3.18Å; A395-L398 PolarHBondContact O-N 2.76Å; L398-A400 PolarHBondContact O-N 3.21Å; L398-K401 PolarHBondContact O-N 3.13Å; L398-Y402 WeakPolarHBondContact O-CB 3.49Å; L398-Y402 PolarHBondContact O-N 3.42Å |
| 399 | L | 92.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 177.2 | -78.2 | 156.5 | 0 | 0 | 0 | 111.5 | F347 V348 A395 E397 Y402 C403 F426 V429 I433 F439 | F347-L399 HydrophobicContact CE1-CD1 4.42Å; V348-L399 HydrophobicContact CG2-CD2 3.52Å; V348-L399 HydrophobicContact CG2-CG 4.35Å; A395-L399 HydrophobicContact CB-CD1 4.44Å; A395-L399 VanDerWaalsContact O-CB 3.31Å; A395-L399 WeakPolarHBondContact O-CB 3.39Å; A395-L399 VanDerWaalsContact O-CD1 3.3Å; A395-L399 WeakPolarHBondContact O-CD1 3.41Å; A395-L399 VanDerWaalsContact O-CG 3.31Å; A395-L399 WeakPolarHBondContact O-CG 3.33Å; A395-L399 PolarHBondContact O-N 3.4Å; E397-L399 VanDerWaalsContact C-N 3.32Å; E397-L399 PolarHBondContact O-N 3.48Å; L399-Y402 PolarHBondContact O-N 3.19Å; L399-C403 PolarHBondContact O-N 3.01Å; L399-C403 VanDerWaalsContact O-N 3.17Å; L399-C403 PolarHBondContact O-SG 3.24Å; L399-F426 HydrophobicContact CB-CE2 3.74Å; L399-F426 HydrophobicContact CB-CZ 4.33Å; L399-F426 HydrophobicContact CD2-CD2 3.62Å; L399-F426 HydrophobicContact CD2-CE2 3.3Å; L399-F426 HydrophobicContact CD2-CZ 4.31Å; L399-F426 HydrophobicContact CG-CE2 4.13Å; L399-V429 HydrophobicContact CD1-CG1 4.18Å; L399-V429 HydrophobicContact CD2-CB 4.3Å; L399-V429 HydrophobicContact CD2-CG1 3.86Å; L399-I433 HydrophobicContact CB-CD1 4.29Å; L399-I433 HydrophobicContact CD1-CD1 3.21Å; L399-I433 HydrophobicContact CD1-CG1 3.55Å; L399-I433 HydrophobicContact CG-CD1 4.26Å; L399-F439 HydrophobicContact CB-CD2 4.18Å; L399-F439 HydrophobicContact CB-CE2 4.38Å |
| 400 | A | 92.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P396 E397 L398 Y402 C403 D404 F439 F442 | P396-A400 PolarHBondContact O-N 3.26Å; P396-A400 VanDerWaalsContact O-N 3.09Å; E397-A400 PolarHBondContact O-N 3Å; L398-A400 PolarHBondContact O-N 3.21Å; A400-Y402 VanDerWaalsContact C-N 3.35Å; A400-C403 PolarHBondContact O-N 3.3Å; A400-D404 WeakPolarHBondContact O-CB 3.3Å; A400-D404 PolarHBondContact O-N 2.97Å; A400-F439 HydrophobicContact CB-CD2 3.89Å; A400-F439 HydrophobicContact CB-CE2 4.01Å; A400-F442 HydrophobicContact CB-CB 3.82Å |
| 401 | K | 90.2 | Very high | 84.1 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 175.9 | -72.1 | 177 | -174.1 | 170.7 | 0 | 112.4 | P344 E397 L398 D404 N405 | P344-K401 HydrophobicContact CB-CB 4.22Å; P344-K401 HydrophobicContact CG-CB 4.06Å; E397-K401 WeakPolarHBondContact O-CG 3.48Å; E397-K401 PolarHBondContact O-N 3.37Å; E397-K401 VanDerWaalsContact OE1-CE 3.29Å; E397-K401 WeakPolarHBondContact OE1-CE 3.35Å; E397-K401 IonicContact OE1-NZ 2.79Å; E397-K401 PolarHBondContact OE1-NZ 3.01Å; L398-K401 PolarHBondContact O-N 3.13Å; K401-D404 PolarHBondContact O-N 3.21Å; K401-N405 WeakPolarHBondContact O-CB 3.3Å; K401-N405 VanDerWaalsContact O-CG 3.27Å; K401-N405 PolarHBondContact O-N 2.93Å |
| 402 | Y | 91.8 | Very high | 83.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -51 | 175.7 | -179.9 | -105.5 | 0 | 0 | 0 | 111.3 | T345 V348 L398 L399 A400 D404 N405 L406 F426 | T345-Y402 HydrophobicContact CG2-CE2 3.98Å; V348-Y402 HydrophobicContact CB-CD1 4.25Å; V348-Y402 HydrophobicContact CB-CD2 4.27Å; V348-Y402 HydrophobicContact CB-CE1 4.23Å; V348-Y402 HydrophobicContact CB-CE2 4.25Å; V348-Y402 HydrophobicContact CB-CG 4.24Å; V348-Y402 HydrophobicContact CG1-CD1 4.09Å; V348-Y402 HydrophobicContact CG1-CE1 3.77Å; V348-Y402 HydrophobicContact CG2-CD1 3.95Å; V348-Y402 HydrophobicContact CG2-CD2 4.19Å; V348-Y402 HydrophobicContact CG2-CE1 4.42Å; V348-Y402 HydrophobicContact CG2-CG 3.79Å; L398-Y402 WeakPolarHBondContact O-CB 3.49Å; L398-Y402 PolarHBondContact O-N 3.42Å; L399-Y402 PolarHBondContact O-N 3.19Å; A400-Y402 VanDerWaalsContact C-N 3.35Å; Y402-D404 VanDerWaalsContact C-N 3.3Å; Y402-D404 PolarHBondContact O-N 3.23Å; Y402-N405 PolarHBondContact O-N 3.32Å; Y402-L406 HydrophobicContact CD1-CD1 3.92Å; Y402-L406 HydrophobicContact CE1-CD1 3.4Å; Y402-L406 HydrophobicContact CE1-CG 4.3Å; Y402-L406 HydrophobicContact CE2-CD1 4.4Å; Y402-L406 WeakPolarHBondContact O-CG 3.39Å; Y402-L406 PolarHBondContact O-N 3.33Å; Y402-L406 VanDerWaalsContact O-N 3.07Å; Y402-F426 AromaticContact CD1-CD2 3.89Å; Y402-F426 HydrophobicContact CD1-CD2 3.89Å; Y402-F426 HydrophobicContact CE1-CB 4.34Å; Y402-F426 HydrophobicContact CE1-CD2 4.39Å |
| 403 | C | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 175 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | L399 A400 N405 L406 L407 F426 Y443 | L399-C403 PolarHBondContact O-N 3.01Å; L399-C403 VanDerWaalsContact O-N 3.17Å; L399-C403 PolarHBondContact O-SG 3.24Å; A400-C403 PolarHBondContact O-N 3.3Å; C403-N405 VanDerWaalsContact C-N 3.34Å; C403-N405 PolarHBondContact O-N 3.31Å; C403-L406 PolarHBondContact O-N 3.34Å; C403-L407 WeakPolarHBondContact O-CB 3.09Å; C403-L407 WeakPolarHBondContact O-CG 3.17Å; C403-L407 PolarHBondContact O-N 3.23Å; C403-F426 WeakPolarHBondContact SG-CE2 3.22Å; C403-F426 WeakPolarHBondContact SG-CZ 3.41Å; C403-Y443 HydrophobicContact CB-CD2 4.19Å; C403-Y443 HydrophobicContact CB-CE2 3.82Å |
| 404 | D | 90.8 | Very high | 83.9 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.9 | 179.2 | 65.6 | 0 | 0 | 0 | 112.6 | A400 K401 Y402 K408 M446 R450 | A400-D404 WeakPolarHBondContact O-CB 3.3Å; A400-D404 PolarHBondContact O-N 2.97Å; K401-D404 PolarHBondContact O-N 3.21Å; Y402-D404 VanDerWaalsContact C-N 3.3Å; Y402-D404 PolarHBondContact O-N 3.23Å; D404-K408 VanDerWaalsContact CG-CE 3.5Å; D404-K408 WeakPolarHBondContact O-CD 2.93Å; D404-K408 WeakPolarHBondContact O-CG 3.35Å; D404-K408 PolarHBondContact O-N 2.97Å; D404-K408 WeakPolarHBondContact OD1-CE 3.22Å; D404-K408 IonicContact OD1-NZ 3.96Å; D404-K408 WeakPolarHBondContact OD2-CE 3.38Å; D404-K408 IonicContact OD2-NZ 2.55Å; D404-K408 PolarHBondContact OD2-NZ 3.28Å; D404-M446 HydrophobicContact CB-CB 4.13Å; D404-M446 HydrophobicContact CB-CG 4.21Å; D404-R450 VanDerWaalsContact OD1-CD 3.31Å; D404-R450 WeakPolarHBondContact OD1-CD 3.4Å; D404-R450 WeakPolarHBondContact OD1-CG 3.41Å; D404-R450 IonicContact OD1-CZ 3.54Å; D404-R450 IonicContact OD1-NE 3.8Å; D404-R450 IonicContact OD1-NH1 2.78Å; D404-R450 PolarHBondContact OD1-NH1 3.32Å |
| 405 | N | 89.4 | Confident | 84.1 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -41 | 175.2 | -73.3 | -15.7 | 0 | 0 | 0 | 112.2 | K401 Y402 C403 | K401-N405 WeakPolarHBondContact O-CB 3.3Å; K401-N405 VanDerWaalsContact O-CG 3.27Å; K401-N405 PolarHBondContact O-N 2.93Å; Y402-N405 PolarHBondContact O-N 3.32Å; C403-N405 VanDerWaalsContact C-N 3.34Å; C403-N405 PolarHBondContact O-N 3.31Å |
| 406 | L | 89.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 178.2 | -70.5 | 179 | 0 | 0 | 0 | 113 | Y402 C403 M414 V419 K422 L423 | Y402-L406 HydrophobicContact CD1-CD1 3.92Å; Y402-L406 HydrophobicContact CE1-CD1 3.4Å; Y402-L406 HydrophobicContact CE1-CG 4.3Å; Y402-L406 HydrophobicContact CE2-CD1 4.4Å; Y402-L406 WeakPolarHBondContact O-CG 3.39Å; Y402-L406 PolarHBondContact O-N 3.33Å; Y402-L406 VanDerWaalsContact O-N 3.07Å; C403-L406 PolarHBondContact O-N 3.34Å; L406-M414 HydrophobicContact CD2-CE 4Å; L406-M414 HydrophobicContact CD2-SD 3.89Å; L406-V419 HydrophobicContact CB-CG1 4.42Å; L406-K422 HydrophobicContact CD1-CB 4.11Å; L406-K422 HydrophobicContact CD2-CD 4.35Å; L406-L423 HydrophobicContact CD1-CD2 3.99Å; L406-L423 HydrophobicContact CD1-CG 4.48Å |
| 407 | L | 90.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.5 | -174.4 | -68.2 | 167.8 | 0 | 0 | 0 | 113.8 | C403 L423 S456 L457 M465 | C403-L407 WeakPolarHBondContact O-CB 3.09Å; C403-L407 WeakPolarHBondContact O-CG 3.17Å; C403-L407 PolarHBondContact O-N 3.23Å; L407-L423 HydrophobicContact CD2-CD1 4.07Å; L407-S456 CarbonylContact O-C 3.56Å; L407-S456 WeakPolarHBondContact O-CA 3.32Å; L407-L457 PolarHBondContact O-N 3.22Å; L407-M465 HydrophobicContact CD1-CB 4.36Å; L407-M465 HydrophobicContact CD1-CG 4.2Å |
| 408 | K | 88.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 142.5 | 177.2 | -85.6 | 170.3 | 176.9 | 169.2 | 0 | 112.2 | D404 S410 A411 R450 L455 | D404-K408 VanDerWaalsContact CG-CE 3.5Å; D404-K408 WeakPolarHBondContact O-CD 2.93Å; D404-K408 WeakPolarHBondContact O-CG 3.35Å; D404-K408 PolarHBondContact O-N 2.97Å; D404-K408 WeakPolarHBondContact OD1-CE 3.22Å; D404-K408 IonicContact OD1-NZ 3.96Å; D404-K408 WeakPolarHBondContact OD2-CE 3.38Å; D404-K408 IonicContact OD2-NZ 2.55Å; D404-K408 PolarHBondContact OD2-NZ 3.28Å; K408-S410 PolarHBondContact O-N 2.85Å; K408-A411 VanDerWaalsContact O-CB 3.24Å; K408-A411 WeakPolarHBondContact O-CB 3.35Å; K408-A411 PolarHBondContact O-N 3.27Å; K408-R450 HydrophobicContact CG-CG 4.34Å; K408-L455 CarbonylContact C-O 3.41Å; K408-L455 WeakPolarHBondContact CA-O 3.47Å |
| 409 | K | 81.3 | Confident | 83.6 | Confident | 133 Ų | 133 | 56.1 Ų | 56.1 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -22.1 | 171.6 | -71.4 | 178.3 | -177 | 172.5 | 0 | 114.4 | A411 G454 L455 S456 | K409-A411 VanDerWaalsContact C-N 3.31Å; K409-G454 WeakPolarHBondContact CE-O 3.47Å; K409-G454 PolarHBondContact NZ-O 2.92Å; K409-L455 WeakPolarHBondContact CG-O 3.18Å; K409-L455 PolarHBondContact N-O 2.79Å; K409-S456 WeakPolarHBondContact CE-O 3.3Å; K409-S456 WeakPolarHBondContact CG-O 3.5Å |
| 410 | S | 67.8 | Low | 83.4 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.8 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | K408 K412 | K408-S410 PolarHBondContact O-N 2.85Å; S410-K412 PolarHBondContact O-N 3.41Å |
| 411 | A | 62.6 | Low | 83.3 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | trans | -69 | 70.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | K408 K409 G413 | K408-A411 VanDerWaalsContact O-CB 3.24Å; K408-A411 WeakPolarHBondContact O-CB 3.35Å; K408-A411 PolarHBondContact O-N 3.27Å; K409-A411 VanDerWaalsContact C-N 3.31Å; A411-G413 PolarHBondContact O-N 3.18Å | ||
| 412 | K | 59.8 | Low | 83.2 | Confident | 199 Ų | 199 | 65.7 Ų | 65.7 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 123.4 | -177.5 | -68.9 | -175.9 | 178.2 | -177.2 | 0 | 109.4 | S410 | S410-K412 PolarHBondContact O-N 3.41Š|
| 413 | G | 67.6 | Low | 83.2 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 83% | 0.825 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.8 | -4.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A411 | A411-G413 PolarHBondContact O-N 3.18Š|
| 414 | M | 77.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | trans | -102.8 | 145.2 | 177.9 | -65.9 | 179.9 | 68.1 | 0 | 0 | 111.8 | L406 E418 V419 K422 | L406-M414 HydrophobicContact CD2-CE 4Å; L406-M414 HydrophobicContact CD2-SD 3.89Å; M414-E418 HydrophobicContact CE-CB 4.31Å; M414-E418 HydrophobicContact CE-CG 3.78Å; M414-V419 HydrophobicContact CB-CG2 3.96Å; M414-V419 HydrophobicContact CE-CG2 3.93Å; M414-V419 HydrophobicContact SD-CG2 4.45Å; M414-K422 HydrophobicContact CE-CD 3.6Å; M414-K422 HydrophobicContact CE-CG 4.15Å | ||
| 415 | T | 84.9 | Confident | 83.1 | Confident | 87 Ų | 87 | 71 Ų | 71 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | trans | -83.6 | 158.3 | 172 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | N417 E418 V419 | T415-N417 VanDerWaalsContact C-N 3.26Å; T415-N417 PolarHBondContact O-N 3.11Å; T415-E418 PolarHBondContact O-N 2.97Å; T415-E418 WeakPolarHBondContact OG1-CB 3.45Å; T415-E418 PolarHBondContact OG1-N 3.27Å; T415-V419 WeakPolarHBondContact O-CG2 3.25Å; T415-V419 PolarHBondContact O-N 3.03Å | ||
| 416 | E | 81.8 | Confident | 83.2 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 178.5 | -67.1 | -175.8 | 161.6 | 0 | 0 | 112.2 | V419 E420 | E416-V419 PolarHBondContact O-N 3.08Å; E416-E420 PolarHBondContact O-N 3.43Å |
| 417 | N | 87.3 | Confident | 83.4 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 176.5 | -67 | -8 | 0 | 0 | 0 | 111.8 | T415 V419 E420 D421 | T415-N417 VanDerWaalsContact C-N 3.26Å; T415-N417 PolarHBondContact O-N 3.11Å; N417-V419 VanDerWaalsContact C-N 3.31Å; N417-V419 PolarHBondContact O-N 3.48Å; N417-E420 PolarHBondContact O-N 2.95Å; N417-E420 VanDerWaalsContact O-N 3.15Å; N417-D421 PolarHBondContact O-N 3.43Å |
| 418 | E | 88.4 | Confident | 83.3 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.2 | -169.3 | -167.9 | 163.7 | 0 | 0 | 111.5 | M414 T415 E420 D421 K422 | M414-E418 HydrophobicContact CE-CB 4.31Å; M414-E418 HydrophobicContact CE-CG 3.78Å; T415-E418 PolarHBondContact O-N 2.97Å; T415-E418 WeakPolarHBondContact OG1-CB 3.45Å; T415-E418 PolarHBondContact OG1-N 3.27Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-D421 PolarHBondContact O-N 3.19Å; E418-K422 WeakPolarHBondContact O-CG 3.2Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 IonicContact OE1-NZ 3.22Å |
| 419 | V | 87.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L406 M414 T415 E416 N417 D421 K422 L423 L457 | L406-V419 HydrophobicContact CB-CG1 4.42Å; M414-V419 HydrophobicContact CB-CG2 3.96Å; M414-V419 HydrophobicContact CE-CG2 3.93Å; M414-V419 HydrophobicContact SD-CG2 4.45Å; T415-V419 WeakPolarHBondContact O-CG2 3.25Å; T415-V419 PolarHBondContact O-N 3.03Å; E416-V419 PolarHBondContact O-N 3.08Å; N417-V419 VanDerWaalsContact C-N 3.31Å; N417-V419 PolarHBondContact O-N 3.48Å; V419-D421 PolarHBondContact O-N 3.01Å; V419-K422 PolarHBondContact O-N 2.9Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.28Å; V419-L423 WeakPolarHBondContact O-CB 3.29Å; V419-L423 VanDerWaalsContact O-CG 3.24Å; V419-L423 WeakPolarHBondContact O-CG 3.22Å; V419-L423 PolarHBondContact O-N 2.77Å; V419-L457 HydrophobicContact CG2-CD2 4.44Å |
| 420 | E | 89.1 | Confident | 84 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 178 | -175.4 | 168.5 | -168.4 | 0 | 0 | 113.1 | E416 N417 E418 L423 T424 K468 | E416-E420 PolarHBondContact O-N 3.43Å; N417-E420 PolarHBondContact O-N 2.95Å; N417-E420 VanDerWaalsContact O-N 3.15Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E420-L423 PolarHBondContact O-N 3Å; E420-T424 WeakPolarHBondContact O-CB 3.4Å; E420-T424 PolarHBondContact O-N 3.36Å; E420-T424 PolarHBondContact O-OG1 3.46Å; E420-K468 IonicContact OE1-NZ 3.98Å; E420-K468 PolarHBondContact OE1-NZ 2.87Å |
| 421 | D | 90.1 | Very high | 85.1 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 177 | -72.8 | -25.6 | 0 | 0 | 0 | 111.6 | N417 E418 V419 T424 S425 | N417-D421 PolarHBondContact O-N 3.43Å; E418-D421 PolarHBondContact O-N 3.19Å; V419-D421 PolarHBondContact O-N 3.01Å; D421-T424 PolarHBondContact O-N 3.17Å; D421-S425 PolarHBondContact O-N 3.33Å; D421-S425 PolarHBondContact O-OG 3.41Å |
| 422 | K | 89.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174 | -69.1 | -155.6 | -171 | -173.8 | 0 | 112 | E349 L406 M414 E418 V419 T424 S425 F426 | E349-K422 IonicContact OE1-NZ 2.7Å; E349-K422 PolarHBondContact OE1-NZ 2.88Å; L406-K422 HydrophobicContact CD1-CB 4.11Å; L406-K422 HydrophobicContact CD2-CD 4.35Å; M414-K422 HydrophobicContact CE-CD 3.6Å; M414-K422 HydrophobicContact CE-CG 4.15Å; E418-K422 WeakPolarHBondContact O-CG 3.2Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 IonicContact OE1-NZ 3.22Å; V419-K422 PolarHBondContact O-N 2.9Å; K422-T424 VanDerWaalsContact C-N 3.33Å; K422-T424 PolarHBondContact O-N 3.25Å; K422-S425 PolarHBondContact O-N 2.85Å; K422-F426 VanDerWaalsContact O-CB 3.31Å; K422-F426 WeakPolarHBondContact O-CB 3.32Å; K422-F426 PolarHBondContact O-N 2.9Å |
| 423 | L | 90.8 | Very high | 88 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 175.1 | -70.5 | 175.6 | 0 | 0 | 0 | 111.9 | L406 L407 V419 E420 F426 I427 M465 | L406-L423 HydrophobicContact CD1-CD2 3.99Å; L406-L423 HydrophobicContact CD1-CG 4.48Å; L407-L423 HydrophobicContact CD2-CD1 4.07Å; V419-L423 HydrophobicContact CG1-CD1 3.98Å; V419-L423 HydrophobicContact CG1-CG 4.28Å; V419-L423 WeakPolarHBondContact O-CB 3.29Å; V419-L423 VanDerWaalsContact O-CG 3.24Å; V419-L423 WeakPolarHBondContact O-CG 3.22Å; V419-L423 PolarHBondContact O-N 2.77Å; E420-L423 PolarHBondContact O-N 3Å; L423-F426 WeakPolarHBondContact O-CB 3.39Å; L423-F426 PolarHBondContact O-N 3.07Å; L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 3.44Å; L423-M465 HydrophobicContact CB-SD 4.39Å; L423-M465 HydrophobicContact CD1-SD 4.37Å; L423-M465 HydrophobicContact CD2-CE 4.43Å; L423-M465 HydrophobicContact CD2-SD 3.88Å; L423-M465 HydrophobicContact CG-SD 4.44Å |
| 424 | T | 91.4 | Very high | 89 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | E420 D421 K422 F426 I427 K468 | E420-T424 WeakPolarHBondContact O-CB 3.4Å; E420-T424 PolarHBondContact O-N 3.36Å; E420-T424 PolarHBondContact O-OG1 3.46Å; D421-T424 PolarHBondContact O-N 3.17Å; K422-T424 VanDerWaalsContact C-N 3.33Å; K422-T424 PolarHBondContact O-N 3.25Å; T424-F426 VanDerWaalsContact C-N 3.34Å; T424-F426 PolarHBondContact O-N 2.97Å; T424-I427 WeakPolarHBondContact O-CB 3.27Å; T424-I427 PolarHBondContact O-N 3.34Å; T424-K468 PolarHBondContact OG1-NZ 3.39Å; T424-K468 VanDerWaalsContact OG1-NZ 3.1Å |
| 425 | S | 89.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.2 | -58 | 0 | 0 | 0 | 0 | 111.8 | L352 D421 K422 I427 T428 | L352-S425 WeakPolarHBondContact CD2-O 3.45Å; D421-S425 PolarHBondContact O-N 3.33Å; D421-S425 PolarHBondContact O-OG 3.41Å; K422-S425 PolarHBondContact O-N 2.85Å; S425-I427 PolarHBondContact O-N 3.45Å; S425-T428 VanDerWaalsContact O-CB 3.25Å; S425-T428 WeakPolarHBondContact O-CB 3.35Å; S425-T428 PolarHBondContact O-N 3.24Å |
| 426 | F | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.2 | -37.8 | 174.5 | 161 | -86.6 | 0 | 0 | 0 | 112.7 | L399 Y402 C403 K422 L423 T424 T428 V429 F430 F439 M465 | L399-F426 HydrophobicContact CB-CE2 3.74Å; L399-F426 HydrophobicContact CB-CZ 4.33Å; L399-F426 HydrophobicContact CD2-CD2 3.62Å; L399-F426 HydrophobicContact CD2-CE2 3.3Å; L399-F426 HydrophobicContact CD2-CZ 4.31Å; L399-F426 HydrophobicContact CG-CE2 4.13Å; Y402-F426 AromaticContact CD1-CD2 3.89Å; Y402-F426 HydrophobicContact CD1-CD2 3.89Å; Y402-F426 HydrophobicContact CE1-CB 4.34Å; Y402-F426 HydrophobicContact CE1-CD2 4.39Å; C403-F426 WeakPolarHBondContact SG-CE2 3.22Å; C403-F426 WeakPolarHBondContact SG-CZ 3.41Å; K422-F426 VanDerWaalsContact O-CB 3.31Å; K422-F426 WeakPolarHBondContact O-CB 3.32Å; K422-F426 PolarHBondContact O-N 2.9Å; L423-F426 WeakPolarHBondContact O-CB 3.39Å; L423-F426 PolarHBondContact O-N 3.07Å; T424-F426 VanDerWaalsContact C-N 3.34Å; T424-F426 PolarHBondContact O-N 2.97Å; F426-T428 PolarHBondContact O-N 3.44Å; F426-V429 PolarHBondContact O-N 3.21Å; F426-V429 VanDerWaalsContact O-N 3.08Å; F426-F430 HydrophobicContact CD1-CB 4.41Å; F426-F430 HydrophobicContact CE1-CB 3.86Å; F426-F430 HydrophobicContact CE1-CD2 4.38Å; F426-F430 HydrophobicContact CE1-CG 4.2Å; F426-F430 HydrophobicContact CZ-CB 4.05Å; F426-F430 HydrophobicContact CZ-CD2 4.18Å; F426-F430 HydrophobicContact CZ-CG 4.37Å; F426-F430 WeakPolarHBondContact O-CB 3.4Å; F426-F430 PolarHBondContact O-N 3.36Å; F426-F439 HydrophobicContact CE1-CZ 4.35Å; F426-F439 HydrophobicContact CE2-CE2 4.38Å; F426-F439 AromaticContact CZ-CE2 3.64Å; F426-F439 HydrophobicContact CZ-CE2 3.64Å; F426-F439 AromaticContact CZ-CZ 3.83Å; F426-F439 HydrophobicContact CZ-CZ 3.83Å; F426-M465 HydrophobicContact CD1-CE 3.83Å; F426-M465 HydrophobicContact CE1-CE 3.53Å; F426-M465 HydrophobicContact CZ-CE 4.4Å |
| 427 | I | 91.9 | Very high | 90.3 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -30.7 | 179.1 | -65.5 | -65 | 0 | 0 | 0 | 111.5 | L423 T424 S425 F430 K431 K468 L469 A472 | L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 3.44Å; T424-I427 WeakPolarHBondContact O-CB 3.27Å; T424-I427 PolarHBondContact O-N 3.34Å; S425-I427 PolarHBondContact O-N 3.45Å; I427-F430 PolarHBondContact O-N 2.98Å; I427-K431 WeakPolarHBondContact O-CG 3.29Å; I427-K431 PolarHBondContact O-N 3.4Å; I427-K468 HydrophobicContact CD1-CB 4.05Å; I427-K468 HydrophobicContact CG1-CB 4.15Å; I427-L469 HydrophobicContact CD1-CD2 4.21Å; I427-A472 HydrophobicContact CG2-CB 4.34Å |
| 428 | T | 90.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -48.5 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | S425 F426 F430 K431 Y432 | S425-T428 VanDerWaalsContact O-CB 3.25Å; S425-T428 WeakPolarHBondContact O-CB 3.35Å; S425-T428 PolarHBondContact O-N 3.24Å; F426-T428 PolarHBondContact O-N 3.44Å; T428-F430 VanDerWaalsContact C-N 3.32Å; T428-F430 PolarHBondContact O-N 2.87Å; T428-K431 WeakPolarHBondContact O-CB 3.21Å; T428-K431 PolarHBondContact O-N 3.23Å; T428-Y432 HydrophobicContact CG2-CE2 4.2Å; T428-Y432 WeakPolarHBondContact O-CD2 3.48Å |
| 429 | V | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | V348 V351 L352 V384 L399 F426 K431 Y432 | V348-V429 HydrophobicContact CG1-CG2 4.4Å; V351-V429 HydrophobicContact CB-CG1 4.4Å; V351-V429 HydrophobicContact CB-CG2 4.31Å; V351-V429 HydrophobicContact CG1-CG1 3.96Å; V351-V429 HydrophobicContact CG1-CG2 3.91Å; L352-V429 HydrophobicContact CD2-CG2 3.6Å; L352-V429 HydrophobicContact CG-CG2 3.75Å; V384-V429 HydrophobicContact CG2-CG1 4.31Å; L399-V429 HydrophobicContact CD1-CG1 4.18Å; L399-V429 HydrophobicContact CD2-CB 4.3Å; L399-V429 HydrophobicContact CD2-CG1 3.86Å; F426-V429 PolarHBondContact O-N 3.21Å; F426-V429 VanDerWaalsContact O-N 3.08Å; V429-K431 VanDerWaalsContact C-N 3.28Å; V429-K431 PolarHBondContact O-N 3.5Å; V429-Y432 WeakPolarHBondContact O-CB 3.46Å; V429-Y432 PolarHBondContact O-N 2.93Å; V429-Y432 VanDerWaalsContact O-N 3.1Å |
| 430 | F | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -33.1 | 178.5 | 176 | -103.7 | 0 | 0 | 0 | 113.2 | F426 I427 T428 Y432 I433 K436 F439 L469 A472 C473 F477 | F426-F430 HydrophobicContact CD1-CB 4.41Å; F426-F430 HydrophobicContact CE1-CB 3.86Å; F426-F430 HydrophobicContact CE1-CD2 4.38Å; F426-F430 HydrophobicContact CE1-CG 4.2Å; F426-F430 HydrophobicContact CZ-CB 4.05Å; F426-F430 HydrophobicContact CZ-CD2 4.18Å; F426-F430 HydrophobicContact CZ-CG 4.37Å; F426-F430 WeakPolarHBondContact O-CB 3.4Å; F426-F430 PolarHBondContact O-N 3.36Å; I427-F430 PolarHBondContact O-N 2.98Å; T428-F430 VanDerWaalsContact C-N 3.32Å; T428-F430 PolarHBondContact O-N 2.87Å; F430-Y432 PolarHBondContact O-N 2.94Å; F430-I433 HydrophobicContact CD2-CD1 3.6Å; F430-I433 HydrophobicContact CE2-CD1 4.23Å; F430-I433 HydrophobicContact CG-CD1 4.41Å; F430-I433 PolarHBondContact O-N 3.48Å; F430-K436 HydrophobicContact CE2-CG 4.47Å; F430-K436 HydrophobicContact CZ-CD 4.16Å; F430-K436 HydrophobicContact CZ-CG 4.33Å; F430-F439 HydrophobicContact CD2-CD1 4.2Å; F430-F439 HydrophobicContact CD2-CE1 4.27Å; F430-F439 HydrophobicContact CD2-CG 4.31Å; F430-F439 HydrophobicContact CD2-CZ 4.46Å; F430-F439 HydrophobicContact CE2-CB 4.38Å; F430-F439 AromaticContact CE2-CD1 3.42Å; F430-F439 HydrophobicContact CE2-CD1 3.42Å; F430-F439 VanDerWaalsContact CE2-CD1 3.42Å; F430-F439 HydrophobicContact CE2-CD2 4.43Å; F430-F439 AromaticContact CE2-CE1 3.72Å; F430-F439 HydrophobicContact CE2-CE1 3.72Å; F430-F439 AromaticContact CE2-CG 3.82Å; F430-F439 HydrophobicContact CE2-CG 3.82Å; F430-F439 HydrophobicContact CE2-CZ 4.34Å; F430-F439 HydrophobicContact CZ-CD1 4.19Å; F430-F439 HydrophobicContact CZ-CE1 4.35Å; F430-L469 HydrophobicContact CD1-CD2 4.33Å; F430-L469 HydrophobicContact CE1-CD2 3.94Å; F430-L469 HydrophobicContact CE2-CD2 4.36Å; F430-L469 HydrophobicContact CZ-CD2 3.97Å; F430-A472 HydrophobicContact CD1-CB 4.31Å; F430-A472 HydrophobicContact CE1-CB 4.15Å; F430-C473 WeakPolarHBondContact CE1-SG 3.36Å; F430-C473 VanDerWaalsContact CZ-SG 3.55Å; F430-F477 HydrophobicContact CZ-CE1 4.28Å; F430-F477 HydrophobicContact CZ-CZ 4.16Å |
| 431 | K | 90.6 | Very high | 91 | Very high | 133 Ų | 133 | 34.5 Ų | 34.5 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -61 | -33.3 | 174.8 | -74.3 | 170.3 | -177.3 | 177.8 | 0 | 112.3 | I427 T428 V429 I433 | I427-K431 WeakPolarHBondContact O-CG 3.29Å; I427-K431 PolarHBondContact O-N 3.4Å; T428-K431 WeakPolarHBondContact O-CB 3.21Å; T428-K431 PolarHBondContact O-N 3.23Å; V429-K431 VanDerWaalsContact C-N 3.28Å; V429-K431 PolarHBondContact O-N 3.5Å; K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 2.98Å |
| 432 | Y | 91.6 | Very high | 91.1 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8 | -180 | -60.2 | -45.5 | 0 | 0 | 0 | 114.2 | H355 D377 L380 T381 N385 T428 V429 F430 | H355-Y432 PolarHBondContact CD2-OH 3.4Å; H355-Y432 VanDerWaalsContact CD2-OH 3.31Å; D377-Y432 HydrophobicContact CB-CE1 4.01Å; D377-Y432 VanDerWaalsContact OD1-CE1 3.27Å; D377-Y432 WeakPolarHBondContact OD1-CE1 3.41Å; D377-Y432 PolarHBondContact OD1-OH 3.06Å; L380-Y432 HydrophobicContact CB-CD1 4.49Å; L380-Y432 HydrophobicContact CB-CD2 3.99Å; L380-Y432 HydrophobicContact CB-CE1 4.43Å; L380-Y432 HydrophobicContact CB-CE2 3.92Å; L380-Y432 HydrophobicContact CB-CG 4.29Å; L380-Y432 HydrophobicContact CD1-CD2 4.46Å; L380-Y432 HydrophobicContact CD1-CE2 3.68Å; L380-Y432 HydrophobicContact CG-CE2 4.47Å; T381-Y432 WeakPolarHBondContact OG1-CD1 3.45Å; N385-Y432 PolarHBondContact ND2-O 3.24Å; T428-Y432 HydrophobicContact CG2-CE2 4.2Å; T428-Y432 WeakPolarHBondContact O-CD2 3.48Å; V429-Y432 WeakPolarHBondContact O-CB 3.46Å; V429-Y432 PolarHBondContact O-N 2.93Å; V429-Y432 VanDerWaalsContact O-N 3.1Å; F430-Y432 PolarHBondContact O-N 2.94Å |
| 433 | I | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -75.8 | 133.2 | 177.6 | -56.3 | 173.2 | 0 | 0 | 0 | 110.7 | V384 P396 L399 F430 K431 K436 | V384-I433 HydrophobicContact CG1-CG1 4.22Å; P396-I433 HydrophobicContact CB-CG2 4.37Å; P396-I433 HydrophobicContact CG-CG2 3.86Å; L399-I433 HydrophobicContact CB-CD1 4.29Å; L399-I433 HydrophobicContact CD1-CD1 3.21Å; L399-I433 HydrophobicContact CD1-CG1 3.55Å; L399-I433 HydrophobicContact CG-CD1 4.26Å; F430-I433 HydrophobicContact CD2-CD1 3.6Å; F430-I433 HydrophobicContact CE2-CD1 4.23Å; F430-I433 HydrophobicContact CG-CD1 4.41Å; F430-I433 PolarHBondContact O-N 3.48Å; K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 2.98Å; I433-K436 HydrophobicContact CB-CG 4.48Å; I433-K436 HydrophobicContact CG2-CG 4.47Å; I433-K436 PolarHBondContact O-NZ 2.79Å | ||
| 434 | D | 87.9 | Confident | 91.4 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -78.8 | -51.9 | 169.9 | -75.7 | -18 | 0 | 0 | 0 | 112.2 | N385 K436 F742 N743 | N385-D434 PolarHBondContact OD1-N 3.08Å; D434-K436 VanDerWaalsContact C-N 3.34Å; D434-K436 PolarHBondContact O-N 3.45Å; D434-F742 WeakPolarHBondContact O-CA 3.42Å; D434-N743 PolarHBondContact OD2-ND2 3.42Å |
| 435 | D | 89.3 | Confident | 91.3 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 19% | 0.187 | 13% | 0.129 | C | C | . | . | trans | -84 | 65.2 | -175.6 | -68.6 | -47.5 | 0 | 0 | 0 | 112.9 | P396 D437 V438 F439 R707 | P396-D435 HydrophobicContact CG-CB 4.03Å; D435-D437 VanDerWaalsContact C-N 3.26Å; D435-D437 PolarHBondContact O-N 2.8Å; D435-V438 HydrophobicContact CB-CB 4.31Å; D435-V438 HydrophobicContact CB-CG2 3.95Å; D435-V438 PolarHBondContact O-N 2.95Å; D435-F439 PolarHBondContact O-N 3.2Å; D435-R707 IonicContact OD1-CZ 3.43Å; D435-R707 IonicContact OD1-NH1 3.41Å; D435-R707 IonicContact OD1-NH2 3.72Å; D435-R707 PolarHBondContact OD1-NH2 2.72Å | ||
| 436 | K | 91.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 14% | 0.135 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.8 | -26.1 | -178.3 | -62.8 | -174.4 | 176.2 | 67 | 0 | 113.1 | F430 I433 D434 F439 Q440 F477 R741 | F430-K436 HydrophobicContact CE2-CG 4.47Å; F430-K436 HydrophobicContact CZ-CD 4.16Å; F430-K436 HydrophobicContact CZ-CG 4.33Å; I433-K436 HydrophobicContact CB-CG 4.48Å; I433-K436 HydrophobicContact CG2-CG 4.47Å; I433-K436 PolarHBondContact O-NZ 2.79Å; D434-K436 VanDerWaalsContact C-N 3.34Å; D434-K436 PolarHBondContact O-N 3.45Å; K436-F439 WeakPolarHBondContact O-CB 3.14Å; K436-F439 PolarHBondContact O-N 2.93Å; K436-Q440 PolarHBondContact O-N 3.38Å; K436-F477 HydrophobicContact CB-CE2 4.1Å; K436-F477 HydrophobicContact CB-CZ 4.44Å; K436-F477 WeakPolarHBondContact O-CE2 3.4Å; K436-R741 PolarHBondContact N-O 3.41Å; K436-R741 VanDerWaalsContact N-O 3.1Å |
| 437 | D | 90.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | 176.1 | 63 | -20.2 | 0 | 0 | 0 | 113.3 | D435 Q440 K441 R707 R741 F742 | D435-D437 VanDerWaalsContact C-N 3.26Å; D435-D437 PolarHBondContact O-N 2.8Å; D437-Q440 WeakPolarHBondContact O-CB 3.35Å; D437-Q440 PolarHBondContact O-N 3.16Å; D437-K441 PolarHBondContact O-N 3.39Å; D437-K441 VanDerWaalsContact O-N 3.08Å; D437-R707 IonicContact OD1-CZ 3.8Å; D437-R707 IonicContact OD1-NE 3.72Å; D437-R707 IonicContact OD1-NH2 2.94Å; D437-R707 PolarHBondContact OD1-NH2 3.15Å; D437-R707 WeakPolarHBondContact OD2-CG 3.26Å; D437-R707 IonicContact OD2-CZ 2.63Å; D437-R707 IonicContact OD2-NE 2.81Å; D437-R707 PolarHBondContact OD2-NE 2.8Å; D437-R707 IonicContact OD2-NH2 2.82Å; D437-R707 PolarHBondContact OD2-NH2 2.95Å; D437-R741 PolarHBondContact N-O 3.32Å; D437-F742 WeakPolarHBondContact OD2-CD1 3.34Å |
| 438 | V | 91.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 15% | 0.145 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | P396 D435 Q440 K441 F442 V703 | P396-V438 HydrophobicContact CB-CB 4.02Å; P396-V438 HydrophobicContact CB-CG1 3.98Å; P396-V438 HydrophobicContact CG-CB 4.42Å; D435-V438 HydrophobicContact CB-CB 4.31Å; D435-V438 HydrophobicContact CB-CG2 3.95Å; D435-V438 PolarHBondContact O-N 2.95Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.36Å; V438-K441 PolarHBondContact O-N 3Å; V438-F442 HydrophobicContact CG1-CD2 3.72Å; V438-F442 HydrophobicContact CG1-CE2 3.73Å; V438-F442 VanDerWaalsContact O-CD2 3.32Å; V438-F442 WeakPolarHBondContact O-CD2 3.3Å; V438-F442 PolarHBondContact O-N 3.41Å; V438-F442 VanDerWaalsContact O-N 3.11Å; V438-V703 HydrophobicContact CG2-CG1 3.94Å |
| 439 | F | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.6 | -47.8 | 174.6 | 169.7 | -90.5 | 0 | 0 | 0 | 111 | P396 L399 A400 F426 F430 D435 K436 K441 F442 Y443 L469 F477 | P396-F439 HydrophobicContact CB-CB 4.04Å; L399-F439 HydrophobicContact CB-CD2 4.18Å; L399-F439 HydrophobicContact CB-CE2 4.38Å; A400-F439 HydrophobicContact CB-CD2 3.89Å; A400-F439 HydrophobicContact CB-CE2 4.01Å; F426-F439 HydrophobicContact CE1-CZ 4.35Å; F426-F439 HydrophobicContact CE2-CE2 4.38Å; F426-F439 AromaticContact CZ-CE2 3.64Å; F426-F439 HydrophobicContact CZ-CE2 3.64Å; F426-F439 AromaticContact CZ-CZ 3.83Å; F426-F439 HydrophobicContact CZ-CZ 3.83Å; F430-F439 HydrophobicContact CD2-CD1 4.2Å; F430-F439 HydrophobicContact CD2-CE1 4.27Å; F430-F439 HydrophobicContact CD2-CG 4.31Å; F430-F439 HydrophobicContact CD2-CZ 4.46Å; F430-F439 HydrophobicContact CE2-CB 4.38Å; F430-F439 AromaticContact CE2-CD1 3.42Å; F430-F439 HydrophobicContact CE2-CD1 3.42Å; F430-F439 VanDerWaalsContact CE2-CD1 3.42Å; F430-F439 HydrophobicContact CE2-CD2 4.43Å; F430-F439 AromaticContact CE2-CE1 3.72Å; F430-F439 HydrophobicContact CE2-CE1 3.72Å; F430-F439 AromaticContact CE2-CG 3.82Å; F430-F439 HydrophobicContact CE2-CG 3.82Å; F430-F439 HydrophobicContact CE2-CZ 4.34Å; F430-F439 HydrophobicContact CZ-CD1 4.19Å; F430-F439 HydrophobicContact CZ-CE1 4.35Å; D435-F439 PolarHBondContact O-N 3.2Å; K436-F439 WeakPolarHBondContact O-CB 3.14Å; K436-F439 PolarHBondContact O-N 2.93Å; F439-K441 VanDerWaalsContact C-N 3.31Å; F439-K441 PolarHBondContact O-N 3.32Å; F439-F442 PolarHBondContact O-N 3.12Å; F439-Y443 HydrophobicContact CE1-CG 4.14Å; F439-Y443 HydrophobicContact CE2-CD2 4.44Å; F439-Y443 AromaticContact CZ-CD2 3.95Å; F439-Y443 HydrophobicContact CZ-CD2 3.95Å; F439-Y443 AromaticContact CZ-CG 3.94Å; F439-Y443 HydrophobicContact CZ-CG 3.94Å; F439-Y443 WeakPolarHBondContact O-CB 3.49Å; F439-Y443 PolarHBondContact O-N 2.91Å; F439-L469 HydrophobicContact CE1-CD1 4.13Å; F439-L469 HydrophobicContact CE1-CD2 3.87Å; F439-L469 HydrophobicContact CZ-CD2 4.28Å; F439-F477 HydrophobicContact CD1-CZ 4.26Å |
| 440 | Q | 92.7 | Very high | 91 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 12% | 0.117 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56 | -45 | -178.4 | -165.1 | -168.9 | 0.2 | 0 | 0 | 112.1 | K436 D437 V438 A444 F477 L481 | K436-Q440 PolarHBondContact O-N 3.38Å; D437-Q440 WeakPolarHBondContact O-CB 3.35Å; D437-Q440 PolarHBondContact O-N 3.16Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.36Å; Q440-A444 WeakPolarHBondContact O-CB 3.11Å; Q440-A444 PolarHBondContact O-N 2.73Å; Q440-F477 HydrophobicContact CB-CE1 4.37Å; Q440-F477 HydrophobicContact CB-CE2 3.67Å; Q440-F477 HydrophobicContact CB-CZ 3.57Å; Q440-F477 HydrophobicContact CG-CD2 4.31Å; Q440-F477 HydrophobicContact CG-CE1 4.16Å; Q440-F477 HydrophobicContact CG-CE2 3.86Å; Q440-F477 HydrophobicContact CG-CZ 3.78Å; Q440-F477 PolarHBondContact NE2-O 2.93Å; Q440-L481 HydrophobicContact CG-CD1 4.42Å |
| 441 | K | 90.6 | Very high | 90.9 | Very high | 47 Ų | 47 | 23.1 Ų | 23.1 | 20% | 0.204 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | -178.5 | -75.8 | -78.4 | -175.6 | 157.6 | 0 | 112.4 | D437 V438 F439 R445 T699 V703 D706 | D437-K441 PolarHBondContact O-N 3.39Å; D437-K441 VanDerWaalsContact O-N 3.08Å; V438-K441 PolarHBondContact O-N 3Å; F439-K441 VanDerWaalsContact C-N 3.31Å; F439-K441 PolarHBondContact O-N 3.32Å; K441-R445 PolarHBondContact O-N 2.79Å; K441-R445 VanDerWaalsContact O-N 3.13Å; K441-T699 HydrophobicContact CB-CG2 4.18Å; K441-V703 HydrophobicContact CB-CG2 3.79Å; K441-V703 HydrophobicContact CG-CG2 3.7Å; K441-D706 WeakPolarHBondContact CE-OD2 3.12Å; K441-D706 IonicContact NZ-OD1 3.66Å; K441-D706 PolarHBondContact NZ-OD1 3Å; K441-D706 IonicContact NZ-OD2 3.01Å; K441-D706 PolarHBondContact NZ-OD2 2.81Å |
| 442 | F | 91.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 174.8 | -82 | -75.4 | 0 | 0 | 0 | 111.3 | E397 A400 V438 F439 A444 R445 M446 M696 T699 R700 | E397-F442 HydrophobicContact CB-CD2 4.43Å; E397-F442 HydrophobicContact CB-CE2 4.43Å; E397-F442 HydrophobicContact CG-CD1 4.2Å; E397-F442 HydrophobicContact CG-CD2 4.4Å; E397-F442 HydrophobicContact CG-CE1 4.1Å; E397-F442 HydrophobicContact CG-CE2 4.31Å; E397-F442 HydrophobicContact CG-CG 4.37Å; E397-F442 HydrophobicContact CG-CZ 4.17Å; A400-F442 HydrophobicContact CB-CB 3.82Å; V438-F442 HydrophobicContact CG1-CD2 3.72Å; V438-F442 HydrophobicContact CG1-CE2 3.73Å; V438-F442 VanDerWaalsContact O-CD2 3.32Å; V438-F442 WeakPolarHBondContact O-CD2 3.3Å; V438-F442 PolarHBondContact O-N 3.41Å; V438-F442 VanDerWaalsContact O-N 3.11Å; F439-F442 PolarHBondContact O-N 3.12Å; F442-A444 PolarHBondContact O-N 3.49Å; F442-R445 PolarHBondContact O-N 3.34Å; F442-M446 VanDerWaalsContact O-CG 3.3Å; F442-M446 WeakPolarHBondContact O-CG 3.3Å; F442-M446 PolarHBondContact O-N 3.16Å; F442-M696 HydrophobicContact CE1-CB 4.38Å; F442-M696 HydrophobicContact CE1-CG 4.37Å; F442-T699 HydrophobicContact CD1-CG2 4.1Å; F442-T699 HydrophobicContact CD2-CG2 4.3Å; F442-T699 HydrophobicContact CE1-CG2 3.99Å; F442-T699 HydrophobicContact CE2-CG2 4.19Å; F442-T699 HydrophobicContact CG-CG2 4.25Å; F442-T699 HydrophobicContact CZ-CG2 4.03Å; F442-R700 HydrophobicContact CE2-CG 4.31Å; F442-R700 HydrophobicContact CZ-CG 4.15Å |
| 443 | Y | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.5 | -174.7 | -100.5 | 0 | 0 | 0 | 112 | C403 F439 R445 M446 L447 M465 L469 L481 | C403-Y443 HydrophobicContact CB-CD2 4.19Å; C403-Y443 HydrophobicContact CB-CE2 3.82Å; F439-Y443 HydrophobicContact CE1-CG 4.14Å; F439-Y443 HydrophobicContact CE2-CD2 4.44Å; F439-Y443 AromaticContact CZ-CD2 3.95Å; F439-Y443 HydrophobicContact CZ-CD2 3.95Å; F439-Y443 AromaticContact CZ-CG 3.94Å; F439-Y443 HydrophobicContact CZ-CG 3.94Å; F439-Y443 WeakPolarHBondContact O-CB 3.49Å; F439-Y443 PolarHBondContact O-N 2.91Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.3Å; Y443-M446 PolarHBondContact O-N 2.86Å; Y443-L447 WeakPolarHBondContact O-CB 3.31Å; Y443-L447 PolarHBondContact O-N 3.24Å; Y443-M465 VanDerWaalsContact OH-CG 3.27Å; Y443-M465 WeakPolarHBondContact OH-CG 3.34Å; Y443-L469 HydrophobicContact CD1-CD1 4.13Å; Y443-L469 HydrophobicContact CE1-CD1 3.85Å; Y443-L481 HydrophobicContact CD1-CD2 3.56Å; Y443-L481 HydrophobicContact CE1-CD2 3.8Å |
| 444 | A | 92.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 21.3 Ų | 21.3 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q440 F442 L447 A448 L481 P526 | Q440-A444 WeakPolarHBondContact O-CB 3.11Å; Q440-A444 PolarHBondContact O-N 2.73Å; F442-A444 PolarHBondContact O-N 3.49Å; A444-L447 PolarHBondContact O-N 2.97Å; A444-A448 WeakPolarHBondContact O-CB 3.37Å; A444-A448 PolarHBondContact O-N 3.01Å; A444-L481 HydrophobicContact CB-CD2 4.13Å; A444-P526 HydrophobicContact CB-CG 4.06Å |
| 445 | R | 89.3 | Confident | 90 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 177.7 | -167.9 | 165.6 | 62.6 | 69.2 | 15.8 | 111.7 | K441 F442 Y443 A448 K449 P526 D691 E695 T699 | K441-R445 PolarHBondContact O-N 2.79Å; K441-R445 VanDerWaalsContact O-N 3.13Å; F442-R445 PolarHBondContact O-N 3.34Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.3Å; R445-A448 PolarHBondContact O-N 2.93Å; R445-K449 WeakPolarHBondContact O-CG 3.25Å; R445-K449 PolarHBondContact O-N 3.44Å; R445-K449 VanDerWaalsContact O-N 3.1Å; R445-P526 HydrophobicContact CB-CG 4.29Å; R445-D691 IonicContact CZ-OD1 3.5Å; R445-D691 IonicContact CZ-OD2 2.79Å; R445-D691 IonicContact NH1-OD1 3.83Å; R445-D691 PolarHBondContact NH1-OD1 3.29Å; R445-D691 IonicContact NH1-OD2 2.8Å; R445-D691 PolarHBondContact NH1-OD2 2.92Å; R445-D691 IonicContact NH2-OD1 3.09Å; R445-D691 IonicContact NH2-OD2 3.07Å; R445-D691 PolarHBondContact NH2-OD2 3.4Å; R445-E695 IonicContact NH1-OE2 2.77Å; R445-E695 PolarHBondContact NH1-OE2 3.47Å; R445-E695 VanDerWaalsContact NH1-OE2 3.09Å; R445-T699 PolarHBondContact NE-OG1 3.48Å |
| 446 | M | 89.8 | Confident | 89.9 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.059 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 175 | -67.5 | -60.8 | 167.4 | 0 | 0 | 112.1 | D404 F442 Y443 A448 K449 R450 D691 | D404-M446 HydrophobicContact CB-CB 4.13Å; D404-M446 HydrophobicContact CB-CG 4.21Å; F442-M446 VanDerWaalsContact O-CG 3.3Å; F442-M446 WeakPolarHBondContact O-CG 3.3Å; F442-M446 PolarHBondContact O-N 3.16Å; Y443-M446 PolarHBondContact O-N 2.86Å; M446-A448 VanDerWaalsContact C-N 3.32Å; M446-A448 PolarHBondContact O-N 3.11Å; M446-K449 PolarHBondContact O-N 2.55Å; M446-R450 WeakPolarHBondContact O-CG 3.45Å; M446-R450 PolarHBondContact O-N 3.39Å; M446-D691 WeakPolarHBondContact CE-OD2 3.38Å |
| 447 | L | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.4 | -179.1 | 66.1 | 0 | 0 | 0 | 110.8 | Y443 A444 K449 R450 L451 E462 I466 L481 M484 | Y443-L447 WeakPolarHBondContact O-CB 3.31Å; Y443-L447 PolarHBondContact O-N 3.24Å; A444-L447 PolarHBondContact O-N 2.97Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.42Å; L447-R450 PolarHBondContact O-N 3.44Å; L447-R450 VanDerWaalsContact O-N 3.14Å; L447-L451 HydrophobicContact CD1-CD1 4.03Å; L447-L451 HydrophobicContact CD1-CD2 4.33Å; L447-L451 HydrophobicContact CD1-CG 3.94Å; L447-L451 HydrophobicContact CD2-CD1 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.83Å; L447-L451 HydrophobicContact CG-CG 4.14Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.32Å; L447-L451 PolarHBondContact O-N 3.1Å; L447-E462 VanDerWaalsContact CD1-OE2 3.28Å; L447-E462 WeakPolarHBondContact CD1-OE2 3.48Å; L447-I466 HydrophobicContact CD2-CD1 4.31Å; L447-L481 HydrophobicContact CD2-CB 4.35Å; L447-L481 HydrophobicContact CD2-CD2 3.65Å; L447-M484 HydrophobicContact CB-CE 4.38Å; L447-M484 HydrophobicContact CD2-CE 4.22Å; L447-M484 HydrophobicContact CG-CE 4.24Å |
| 448 | A | 90.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A444 R445 M446 R450 L451 I452 M484 W525 P526 | A444-A448 WeakPolarHBondContact O-CB 3.37Å; A444-A448 PolarHBondContact O-N 3.01Å; R445-A448 PolarHBondContact O-N 2.93Å; M446-A448 VanDerWaalsContact C-N 3.32Å; M446-A448 PolarHBondContact O-N 3.11Å; A448-R450 PolarHBondContact O-N 3.23Å; A448-L451 PolarHBondContact O-N 2.83Å; A448-I452 WeakPolarHBondContact O-CB 3.26Å; A448-I452 VanDerWaalsContact O-CG1 3.24Å; A448-I452 WeakPolarHBondContact O-CG1 3.2Å; A448-I452 PolarHBondContact O-N 3.08Å; A448-M484 HydrophobicContact CB-CE 3.63Å; A448-W525 HydrophobicContact CB-CE3 3.83Å; A448-W525 HydrophobicContact CB-CZ3 3.89Å; A448-P526 HydrophobicContact CB-CG 4.17Å |
| 449 | K | 86.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 23.7 Ų | 23.7 | 17% | 0.174 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.6 | -70 | -175.6 | -178.8 | -168.6 | 0 | 111.7 | R445 M446 L447 H453 D691 E695 | R445-K449 WeakPolarHBondContact O-CG 3.25Å; R445-K449 PolarHBondContact O-N 3.44Å; R445-K449 VanDerWaalsContact O-N 3.1Å; M446-K449 PolarHBondContact O-N 2.55Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.42Å; K449-H453 WeakPolarHBondContact O-CB 3.39Å; K449-H453 PolarHBondContact O-CD2 3.27Å; K449-H453 VanDerWaalsContact O-CD2 3.26Å; K449-H453 PolarHBondContact O-N 2.93Å; K449-H453 VanDerWaalsContact O-N 3.11Å; K449-D691 IonicContact NZ-OD1 3.39Å; K449-D691 PolarHBondContact NZ-OD1 3.39Å; K449-E695 IonicContact NZ-OE2 2.9Å; K449-E695 PolarHBondContact NZ-OE2 3Å |
| 450 | R | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 179.3 | -70 | -164.5 | -54.8 | -86.8 | 3.2 | 112.4 | D404 K408 M446 L447 A448 G454 L455 S456 E462 | D404-R450 VanDerWaalsContact OD1-CD 3.31Å; D404-R450 WeakPolarHBondContact OD1-CD 3.4Å; D404-R450 WeakPolarHBondContact OD1-CG 3.41Å; D404-R450 IonicContact OD1-CZ 3.54Å; D404-R450 IonicContact OD1-NE 3.8Å; D404-R450 IonicContact OD1-NH1 2.78Å; D404-R450 PolarHBondContact OD1-NH1 3.32Å; K408-R450 HydrophobicContact CG-CG 4.34Å; M446-R450 WeakPolarHBondContact O-CG 3.45Å; M446-R450 PolarHBondContact O-N 3.39Å; L447-R450 PolarHBondContact O-N 3.44Å; L447-R450 VanDerWaalsContact O-N 3.14Å; A448-R450 PolarHBondContact O-N 3.23Å; R450-G454 WeakPolarHBondContact O-CA 3.44Å; R450-G454 PolarHBondContact O-N 3.07Å; R450-G454 VanDerWaalsContact O-N 3.1Å; R450-L455 HydrophobicContact CB-CB 4.45Å; R450-L455 HydrophobicContact CG-CB 4.41Å; R450-L455 PolarHBondContact O-N 2.98Å; R450-S456 WeakPolarHBondContact CB-OG 3.34Å; R450-E462 IonicContact CZ-OE1 3.78Å; R450-E462 IonicContact CZ-OE2 3.37Å; R450-E462 IonicContact NE-OE1 3.39Å; R450-E462 PolarHBondContact NE-OE1 3.49Å; R450-E462 IonicContact NE-OE2 3.77Å; R450-E462 IonicContact NH2-OE1 3.99Å; R450-E462 PolarHBondContact NH2-OE1 3.43Å; R450-E462 IonicContact NH2-OE2 3.66Å; R450-E462 PolarHBondContact NH2-OE2 2.96Å |
| 451 | L | 90.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -50.9 | 178.9 | -67.8 | 179 | 0 | 0 | 0 | 111.7 | L447 A448 H453 G454 M459 M484 M488 W525 | L447-L451 HydrophobicContact CD1-CD1 4.03Å; L447-L451 HydrophobicContact CD1-CD2 4.33Å; L447-L451 HydrophobicContact CD1-CG 3.94Å; L447-L451 HydrophobicContact CD2-CD1 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.83Å; L447-L451 HydrophobicContact CG-CG 4.14Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.32Å; L447-L451 PolarHBondContact O-N 3.1Å; A448-L451 PolarHBondContact O-N 2.83Å; L451-H453 PolarHBondContact O-N 3.04Å; L451-G454 PolarHBondContact O-N 3.33Å; L451-M459 HydrophobicContact CD2-CE 3.86Å; L451-M459 HydrophobicContact CD2-SD 4.12Å; L451-M484 HydrophobicContact CD1-CB 4.37Å; L451-M488 HydrophobicContact CB-CG 4.2Å; L451-M488 HydrophobicContact CB-SD 3.96Å; L451-M488 HydrophobicContact CD1-CG 4.07Å; L451-M488 HydrophobicContact CD2-CG 4.2Å; L451-M488 HydrophobicContact CG-CG 4.39Å; L451-W525 HydrophobicContact CB-CH2 4.15Å; L451-W525 HydrophobicContact CD1-CH2 3.88Å |
| 452 | I | 87.6 | Confident | 89.2 | Confident | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.108 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | -176.3 | -66.6 | 170.1 | 0 | 0 | 0 | 111.8 | A448 L520 W525 L527 L567 | A448-I452 WeakPolarHBondContact O-CB 3.26Å; A448-I452 VanDerWaalsContact O-CG1 3.24Å; A448-I452 WeakPolarHBondContact O-CG1 3.2Å; A448-I452 PolarHBondContact O-N 3.08Å; I452-L520 HydrophobicContact CD1-CD1 4.25Å; I452-W525 HydrophobicContact CD1-CE3 4.21Å; I452-W525 HydrophobicContact CD1-CZ3 3.86Å; I452-W525 HydrophobicContact CG1-CH2 4.47Å; I452-W525 HydrophobicContact CG1-CZ3 3.87Å; I452-L527 HydrophobicContact CD1-CD1 4.23Å; I452-L527 HydrophobicContact CD1-CD2 4.15Å; I452-L567 HydrophobicContact CD1-CD1 4.12Å; I452-L567 HydrophobicContact CG2-CB 4.43Å |
| 453 | H | 83.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 30 Ų | 30 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.4 | -177.7 | -59.9 | -51.3 | 0 | 0 | 0 | 113.9 | K449 L451 L455 | K449-H453 WeakPolarHBondContact O-CB 3.39Å; K449-H453 PolarHBondContact O-CD2 3.27Å; K449-H453 VanDerWaalsContact O-CD2 3.26Å; K449-H453 PolarHBondContact O-N 2.93Å; K449-H453 VanDerWaalsContact O-N 3.11Å; L451-H453 PolarHBondContact O-N 3.04Å; H453-L455 VanDerWaalsContact C-N 3.27Å; H453-L455 HydrophobicContact CB-CD1 4.04Å; H453-L455 HydrophobicContact CB-CD2 4.48Å; H453-L455 HydrophobicContact CB-CG 3.85Å; H453-L455 PolarHBondContact O-N 3.45Å |
| 454 | G | 84.3 | Confident | 89.2 | Confident | 37 Ų | 37 | 31.7 Ų | 31.7 | 38% | 0.381 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | K409 R450 L451 | K409-G454 WeakPolarHBondContact CE-O 3.47Å; K409-G454 PolarHBondContact NZ-O 2.92Å; R450-G454 WeakPolarHBondContact O-CA 3.44Å; R450-G454 PolarHBondContact O-N 3.07Å; R450-G454 VanDerWaalsContact O-N 3.1Å; L451-G454 PolarHBondContact O-N 3.33Å |
| 455 | L | 86.2 | Confident | 89.3 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 19% | 0.194 | 18% | 0.175 | C | C | . | . | trans | -89.7 | -12.5 | -177.8 | -56.1 | 174.3 | 0 | 0 | 0 | 113.3 | K408 K409 R450 H453 | K408-L455 CarbonylContact C-O 3.41Å; K408-L455 WeakPolarHBondContact CA-O 3.47Å; K409-L455 WeakPolarHBondContact CG-O 3.18Å; K409-L455 PolarHBondContact N-O 2.79Å; R450-L455 HydrophobicContact CB-CB 4.45Å; R450-L455 HydrophobicContact CG-CB 4.41Å; R450-L455 PolarHBondContact O-N 2.98Å; H453-L455 VanDerWaalsContact C-N 3.27Å; H453-L455 HydrophobicContact CB-CD1 4.04Å; H453-L455 HydrophobicContact CB-CD2 4.48Å; H453-L455 HydrophobicContact CB-CG 3.85Å; H453-L455 PolarHBondContact O-N 3.45Å | ||
| 456 | S | 87.1 | Confident | 89.5 | Confident | 11 Ų | 11 | 30 Ų | 30 | 8% | 0.077 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -62.2 | 134.1 | 179.4 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | L407 K409 R450 E462 | L407-S456 CarbonylContact O-C 3.56Å; L407-S456 WeakPolarHBondContact O-CA 3.32Å; K409-S456 WeakPolarHBondContact CE-O 3.3Å; K409-S456 WeakPolarHBondContact CG-O 3.5Å; R450-S456 WeakPolarHBondContact CB-OG 3.34Å; S456-E462 WeakPolarHBondContact CB-OE1 3.42Å; S456-E462 PolarHBondContact OG-OE1 2.89Å |
| 457 | L | 84.7 | Confident | 89.7 | Confident | 59 Ų | 59 | 32 Ų | 32 | 31% | 0.309 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -59.4 | -53.8 | 178.1 | 178.8 | 67 | 0 | 0 | 0 | 111.3 | L407 V419 | L407-L457 PolarHBondContact O-N 3.22Å; V419-L457 HydrophobicContact CG2-CD2 4.44Å |
| 458 | S | 88.1 | Confident | 89.7 | Confident | 26 Ų | 26 | 33.7 Ų | 33.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | trans | -147 | 141.8 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | D460 E462 | S458-D460 PolarHBondContact OG-N 2.57Å; S458-E462 WeakPolarHBondContact O-CG 3.49Å; S458-E462 PolarHBondContact O-N 2.97Å | ||
| 459 | M | 90.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 33.5 Ų | 33.5 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.4 | -35.7 | 176.9 | -65.8 | -59.9 | -70.7 | 0 | 0 | 111.2 | L451 S461 E462 E463 Y485 M488 | L451-M459 HydrophobicContact CD2-CE 3.86Å; L451-M459 HydrophobicContact CD2-SD 4.12Å; M459-S461 VanDerWaalsContact C-N 3.35Å; M459-S461 PolarHBondContact O-N 2.88Å; M459-E462 PolarHBondContact O-N 3.15Å; M459-E463 PolarHBondContact O-N 3.35Å; M459-Y485 HydrophobicContact CB-CE2 4.24Å; M459-Y485 HydrophobicContact CE-CD2 3.95Å; M459-Y485 HydrophobicContact CE-CE2 3.64Å; M459-Y485 WeakPolarHBondContact O-CE2 3.43Å; M459-M488 HydrophobicContact CE-CB 4.46Å |
| 460 | D | 91.2 | Very high | 90.2 | Very high | 119 Ų | 119 | 35.9 Ų | 35.9 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.6 | -39.4 | 178.7 | -62.7 | -11.5 | 0 | 0 | 0 | 111.1 | S458 E462 E463 A464 | S458-D460 PolarHBondContact OG-N 2.57Å; D460-E462 PolarHBondContact O-N 2.96Å; D460-E463 PolarHBondContact O-N 2.85Å; D460-A464 WeakPolarHBondContact O-CB 3.25Å; D460-A464 PolarHBondContact O-N 2.89Å |
| 461 | S | 89.9 | Confident | 90.3 | Very high | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | M459 M465 | M459-S461 VanDerWaalsContact C-N 3.35Å; M459-S461 PolarHBondContact O-N 2.88Å; S461-M465 WeakPolarHBondContact O-CB 3.22Å; S461-M465 PolarHBondContact O-N 3.42Å |
| 462 | E | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.8 | -65.7 | -88.7 | -159.4 | 0 | 0 | 110.7 | L447 R450 S456 S458 M459 D460 M465 I466 | L447-E462 VanDerWaalsContact CD1-OE2 3.28Å; L447-E462 WeakPolarHBondContact CD1-OE2 3.48Å; R450-E462 IonicContact CZ-OE1 3.78Å; R450-E462 IonicContact CZ-OE2 3.37Å; R450-E462 IonicContact NE-OE1 3.39Å; R450-E462 PolarHBondContact NE-OE1 3.49Å; R450-E462 IonicContact NE-OE2 3.77Å; R450-E462 IonicContact NH2-OE1 3.99Å; R450-E462 PolarHBondContact NH2-OE1 3.43Å; R450-E462 IonicContact NH2-OE2 3.66Å; R450-E462 PolarHBondContact NH2-OE2 2.96Å; S456-E462 WeakPolarHBondContact CB-OE1 3.42Å; S456-E462 PolarHBondContact OG-OE1 2.89Å; S458-E462 WeakPolarHBondContact O-CG 3.49Å; S458-E462 PolarHBondContact O-N 2.97Å; M459-E462 PolarHBondContact O-N 3.15Å; D460-E462 PolarHBondContact O-N 2.96Å; E462-M465 PolarHBondContact O-N 3.33Å; E462-I466 WeakPolarHBondContact O-CG1 3.4Å; E462-I466 PolarHBondContact O-N 3.39Å |
| 463 | E | 93.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175 | -177.6 | 168.7 | -175.8 | 0 | 0 | 112 | M459 D460 M465 I466 N467 Y485 | M459-E463 PolarHBondContact O-N 3.35Å; D460-E463 PolarHBondContact O-N 2.85Å; E463-M465 VanDerWaalsContact C-N 3.28Å; E463-M465 PolarHBondContact O-N 3.19Å; E463-I466 PolarHBondContact O-N 2.94Å; E463-N467 PolarHBondContact O-N 3.46Å; E463-N467 PolarHBondContact O-ND2 3.48Å; E463-Y485 HydrophobicContact CB-CE1 4.16Å; E463-Y485 HydrophobicContact CB-CE2 4.06Å; E463-Y485 HydrophobicContact CG-CE1 4.23Å; E463-Y485 WeakPolarHBondContact OE2-CE1 3.21Å; E463-Y485 PolarHBondContact OE2-OH 3.47Å |
| 464 | A | 92.7 | Very high | 90.4 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D460 N467 K468 | D460-A464 WeakPolarHBondContact O-CB 3.25Å; D460-A464 PolarHBondContact O-N 2.89Å; A464-N467 PolarHBondContact O-N 3.04Å; A464-K468 WeakPolarHBondContact O-CG 3.4Å; A464-K468 PolarHBondContact O-N 3.48Å |
| 465 | M | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.4 | -176 | 56.3 | -174.3 | 0 | 0 | 112.4 | L407 L423 F426 Y443 S461 E462 E463 N467 K468 L469 | L407-M465 HydrophobicContact CD1-CB 4.36Å; L407-M465 HydrophobicContact CD1-CG 4.2Å; L423-M465 HydrophobicContact CB-SD 4.39Å; L423-M465 HydrophobicContact CD1-SD 4.37Å; L423-M465 HydrophobicContact CD2-CE 4.43Å; L423-M465 HydrophobicContact CD2-SD 3.88Å; L423-M465 HydrophobicContact CG-SD 4.44Å; F426-M465 HydrophobicContact CD1-CE 3.83Å; F426-M465 HydrophobicContact CE1-CE 3.53Å; F426-M465 HydrophobicContact CZ-CE 4.4Å; Y443-M465 VanDerWaalsContact OH-CG 3.27Å; Y443-M465 WeakPolarHBondContact OH-CG 3.34Å; S461-M465 WeakPolarHBondContact O-CB 3.22Å; S461-M465 PolarHBondContact O-N 3.42Å; E462-M465 PolarHBondContact O-N 3.33Å; E463-M465 VanDerWaalsContact C-N 3.28Å; E463-M465 PolarHBondContact O-N 3.19Å; M465-N467 VanDerWaalsContact C-N 3.26Å; M465-N467 PolarHBondContact O-N 2.9Å; M465-K468 PolarHBondContact O-N 3.44Å; M465-L469 HydrophobicContact CE-CD1 4.22Å; M465-L469 HydrophobicContact CE-CD2 4.09Å; M465-L469 HydrophobicContact CE-CG 4.03Å; M465-L469 WeakPolarHBondContact O-CG 3.33Å; M465-L469 PolarHBondContact O-N 3.38Å |
| 466 | I | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 174.8 | -65.5 | 166.4 | 0 | 0 | 0 | 110.4 | L447 E462 E463 L469 K470 T478 L481 H482 | L447-I466 HydrophobicContact CD2-CD1 4.31Å; E462-I466 WeakPolarHBondContact O-CG1 3.4Å; E462-I466 PolarHBondContact O-N 3.39Å; E463-I466 PolarHBondContact O-N 2.94Å; I466-L469 PolarHBondContact O-N 2.92Å; I466-K470 WeakPolarHBondContact O-CB 3.41Å; I466-K470 PolarHBondContact O-N 3.06Å; I466-T478 HydrophobicContact CG2-CG2 4.49Å; I466-L481 HydrophobicContact CD1-CB 4.43Å; I466-L481 HydrophobicContact CG1-CB 4.39Å; I466-L481 HydrophobicContact CG2-CB 4.47Å; I466-H482 HydrophobicContact CG2-CB 4.38Å |
| 467 | N | 93.9 | Very high | 90.7 | Very high | 55 Ų | 55 | 54 Ų | 54 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.8 | -74.7 | -33.9 | 0 | 0 | 0 | 112.6 | E463 A464 M465 K470 Q471 | E463-N467 PolarHBondContact O-N 3.46Å; E463-N467 PolarHBondContact O-ND2 3.48Å; A464-N467 PolarHBondContact O-N 3.04Å; M465-N467 VanDerWaalsContact C-N 3.26Å; M465-N467 PolarHBondContact O-N 2.9Å; N467-K470 WeakPolarHBondContact O-CB 3.29Å; N467-K470 PolarHBondContact O-N 2.72Å; N467-Q471 WeakPolarHBondContact O-CG 3.35Å; N467-Q471 PolarHBondContact O-N 2.97Å |
| 468 | K | 93.8 | Very high | 91.1 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 173.4 | -69.3 | 178.8 | -157.7 | -84.9 | 0 | 111.3 | E420 T424 I427 A464 M465 K470 Q471 A472 | E420-K468 IonicContact OE1-NZ 3.98Å; E420-K468 PolarHBondContact OE1-NZ 2.87Å; T424-K468 PolarHBondContact OG1-NZ 3.39Å; T424-K468 VanDerWaalsContact OG1-NZ 3.1Å; I427-K468 HydrophobicContact CD1-CB 4.05Å; I427-K468 HydrophobicContact CG1-CB 4.15Å; A464-K468 WeakPolarHBondContact O-CG 3.4Å; A464-K468 PolarHBondContact O-N 3.48Å; M465-K468 PolarHBondContact O-N 3.44Å; K468-K470 VanDerWaalsContact C-N 3.33Å; K468-K470 PolarHBondContact O-N 3.11Å; K468-Q471 PolarHBondContact O-N 3.38Å; K468-A472 PolarHBondContact O-N 3.25Å; K468-A472 VanDerWaalsContact O-N 3.12Å |
| 469 | L | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 173.2 | -68.9 | 175.3 | 0 | 0 | 0 | 112.5 | I427 F430 F439 Y443 M465 I466 A472 C473 T478 | I427-L469 HydrophobicContact CD1-CD2 4.21Å; F430-L469 HydrophobicContact CD1-CD2 4.33Å; F430-L469 HydrophobicContact CE1-CD2 3.94Å; F430-L469 HydrophobicContact CE2-CD2 4.36Å; F430-L469 HydrophobicContact CZ-CD2 3.97Å; F439-L469 HydrophobicContact CE1-CD1 4.13Å; F439-L469 HydrophobicContact CE1-CD2 3.87Å; F439-L469 HydrophobicContact CZ-CD2 4.28Å; Y443-L469 HydrophobicContact CD1-CD1 4.13Å; Y443-L469 HydrophobicContact CE1-CD1 3.85Å; M465-L469 HydrophobicContact CE-CD1 4.22Å; M465-L469 HydrophobicContact CE-CD2 4.09Å; M465-L469 HydrophobicContact CE-CG 4.03Å; M465-L469 WeakPolarHBondContact O-CG 3.33Å; M465-L469 PolarHBondContact O-N 3.38Å; I466-L469 PolarHBondContact O-N 2.92Å; L469-A472 PolarHBondContact O-N 3.39Å; L469-C473 PolarHBondContact O-N 3.41Å; L469-T478 HydrophobicContact CB-CG2 3.72Å |
| 470 | K | 93.1 | Very high | 91.4 | Very high | 90 Ų | 90 | 52 Ų | 52 | 39% | 0.391 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.8 | -179.4 | -178.8 | 170.5 | -176.6 | 0 | 111.4 | I466 N467 K468 A472 G474 T478 | I466-K470 WeakPolarHBondContact O-CB 3.41Å; I466-K470 PolarHBondContact O-N 3.06Å; N467-K470 WeakPolarHBondContact O-CB 3.29Å; N467-K470 PolarHBondContact O-N 2.72Å; K468-K470 VanDerWaalsContact C-N 3.33Å; K468-K470 PolarHBondContact O-N 3.11Å; K470-A472 VanDerWaalsContact C-N 3.35Å; K470-G474 CarbonylContact O-C 3.59Å; K470-G474 WeakPolarHBondContact O-CA 3.46Å; K470-G474 PolarHBondContact O-N 2.88Å; K470-T478 HydrophobicContact CB-CG2 3.98Å; K470-T478 WeakPolarHBondContact CB-OG1 3.22Å |
| 471 | Q | 91.4 | Very high | 91.5 | Very high | 170 Ų | 170 | 46.4 Ų | 46.4 | 79% | 0.794 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.1 | -38 | 175.5 | -70.3 | 175.1 | 8.2 | 0 | 0 | 111.7 | N467 K468 | N467-Q471 WeakPolarHBondContact O-CG 3.35Å; N467-Q471 PolarHBondContact O-N 2.97Å; K468-Q471 PolarHBondContact O-N 3.38Å |
| 472 | A | 88.2 | Confident | 91.7 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.6 | -35.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I427 F430 K468 L469 K470 | I427-A472 HydrophobicContact CG2-CB 4.34Å; F430-A472 HydrophobicContact CD1-CB 4.31Å; F430-A472 HydrophobicContact CE1-CB 4.15Å; K468-A472 PolarHBondContact O-N 3.25Å; K468-A472 VanDerWaalsContact O-N 3.12Å; L469-A472 PolarHBondContact O-N 3.39Å; K470-A472 VanDerWaalsContact C-N 3.35Å |
| 473 | C | 87.3 | Confident | 91.8 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -122.8 | -4.5 | -171.9 | -70.4 | 0 | 0 | 0 | 0 | 115.2 | F430 L469 F477 | F430-C473 WeakPolarHBondContact CE1-SG 3.36Å; F430-C473 VanDerWaalsContact CZ-SG 3.55Å; L469-C473 PolarHBondContact O-N 3.41Å; C473-F477 HydrophobicContact CB-CB 3.7Å; C473-F477 HydrophobicContact CB-CD1 3.62Å; C473-F477 HydrophobicContact CB-CD2 4.1Å; C473-F477 HydrophobicContact CB-CE1 4.24Å; C473-F477 HydrophobicContact CB-CG 3.54Å |
| 474 | G | 88.1 | Confident | 91.8 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | trans | 84.6 | 176 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K470 T478 | K470-G474 CarbonylContact O-C 3.59Å; K470-G474 WeakPolarHBondContact O-CA 3.46Å; K470-G474 PolarHBondContact O-N 2.88Å; G474-T478 PolarHBondContact O-OG1 2.82Å | ||
| 475 | Y | 88.7 | Confident | 91.8 | Very high | 139 Ų | 139 | 50.4 Ų | 50.4 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.9 | -39.1 | -172 | 179.3 | -100.1 | 0 | 0 | 0 | 114.1 | F477 T478 S479 | Y475-F477 PolarHBondContact O-N 2.83Å; Y475-T478 PolarHBondContact O-N 3.21Å; Y475-S479 WeakPolarHBondContact O-CB 3.3Å; Y475-S479 PolarHBondContact O-N 3.23Å |
| 476 | E | 86.8 | Confident | 91.8 | Very high | 118 Ų | 118 | 53 Ų | 53 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | -177.5 | -163.2 | -166.8 | 165.2 | 0 | 0 | 111.3 | S479 R741 | E476-S479 PolarHBondContact O-OG 3.39Å; E476-R741 IonicContact OE1-CZ 3.27Å; E476-R741 IonicContact OE1-NH2 3.91Å; E476-R741 PolarHBondContact OE1-NH2 3.04Å; E476-R741 IonicContact OE2-NH2 2.76Å |
| 477 | F | 88.6 | Confident | 91.8 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.3 | -172.1 | -95.3 | 0 | 0 | 0 | 112.2 | F430 K436 F439 Q440 C473 Y475 | F430-F477 HydrophobicContact CZ-CE1 4.28Å; F430-F477 HydrophobicContact CZ-CZ 4.16Å; K436-F477 HydrophobicContact CB-CE2 4.1Å; K436-F477 HydrophobicContact CB-CZ 4.44Å; K436-F477 WeakPolarHBondContact O-CE2 3.4Å; F439-F477 HydrophobicContact CD1-CZ 4.26Å; Q440-F477 HydrophobicContact CB-CE1 4.37Å; Q440-F477 HydrophobicContact CB-CE2 3.67Å; Q440-F477 HydrophobicContact CB-CZ 3.57Å; Q440-F477 HydrophobicContact CG-CD2 4.31Å; Q440-F477 HydrophobicContact CG-CE1 4.16Å; Q440-F477 HydrophobicContact CG-CE2 3.86Å; Q440-F477 HydrophobicContact CG-CZ 3.78Å; Q440-F477 PolarHBondContact NE2-O 2.93Å; C473-F477 HydrophobicContact CB-CB 3.7Å; C473-F477 HydrophobicContact CB-CD1 3.62Å; C473-F477 HydrophobicContact CB-CD2 4.1Å; C473-F477 HydrophobicContact CB-CE1 4.24Å; C473-F477 HydrophobicContact CB-CG 3.54Å; Y475-F477 PolarHBondContact O-N 2.83Å |
| 478 | T | 93.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -95.9 | -7.3 | -175.8 | 55 | 0 | 0 | 0 | 0 | 114.9 | I466 L469 K470 G474 Y475 K480 L481 H482 | I466-T478 HydrophobicContact CG2-CG2 4.49Å; L469-T478 HydrophobicContact CB-CG2 3.72Å; K470-T478 HydrophobicContact CB-CG2 3.98Å; K470-T478 WeakPolarHBondContact CB-OG1 3.22Å; G474-T478 PolarHBondContact O-OG1 2.82Å; Y475-T478 PolarHBondContact O-N 3.21Å; T478-K480 PolarHBondContact O-N 2.94Å; T478-L481 WeakPolarHBondContact O-CB 3.25Å; T478-L481 PolarHBondContact O-N 2.94Å; T478-H482 PolarHBondContact O-N 3.01Å |
| 479 | S | 92 | Very high | 91.5 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.6 | -45.7 | -175.1 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | Y475 E476 R483 | Y475-S479 WeakPolarHBondContact O-CB 3.3Å; Y475-S479 PolarHBondContact O-N 3.23Å; E476-S479 PolarHBondContact O-OG 3.39Å; S479-R483 WeakPolarHBondContact O-CG 3.35Å; S479-R483 PolarHBondContact O-N 3.37Å; S479-R483 VanDerWaalsContact O-N 3.12Å |
| 480 | K | 91.9 | Very high | 91.5 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 177.1 | -68.4 | -174.2 | 178.5 | -177.4 | 0 | 112.1 | T478 H482 R483 M484 | T478-K480 PolarHBondContact O-N 2.94Å; K480-H482 VanDerWaalsContact C-N 3.34Å; K480-H482 PolarHBondContact O-N 3.02Å; K480-R483 PolarHBondContact O-N 2.95Å; K480-M484 VanDerWaalsContact O-CG 3.31Å; K480-M484 WeakPolarHBondContact O-CG 3.41Å; K480-M484 PolarHBondContact O-N 3.33Å |
| 481 | L | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 179.7 | -65.3 | 137.1 | 0 | 0 | 0 | 111.3 | Q440 Y443 A444 L447 I466 T478 M484 Y485 | Q440-L481 HydrophobicContact CG-CD1 4.42Å; Y443-L481 HydrophobicContact CD1-CD2 3.56Å; Y443-L481 HydrophobicContact CE1-CD2 3.8Å; A444-L481 HydrophobicContact CB-CD2 4.13Å; L447-L481 HydrophobicContact CD2-CB 4.35Å; L447-L481 HydrophobicContact CD2-CD2 3.65Å; I466-L481 HydrophobicContact CD1-CB 4.43Å; I466-L481 HydrophobicContact CG1-CB 4.39Å; I466-L481 HydrophobicContact CG2-CB 4.47Å; T478-L481 WeakPolarHBondContact O-CB 3.25Å; T478-L481 PolarHBondContact O-N 2.94Å; L481-M484 WeakPolarHBondContact O-CB 3.21Å; L481-M484 PolarHBondContact O-N 3.39Å; L481-Y485 PolarHBondContact O-N 2.7Å |
| 482 | H | 93.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.6 | -161.7 | 65.2 | 0 | 0 | 0 | 111.7 | I466 T478 K480 Y485 T486 | I466-H482 HydrophobicContact CG2-CB 4.38Å; T478-H482 PolarHBondContact O-N 3.01Å; K480-H482 VanDerWaalsContact C-N 3.34Å; K480-H482 PolarHBondContact O-N 3.02Å; H482-Y485 WeakPolarHBondContact O-CB 3.27Å; H482-Y485 PolarHBondContact O-N 2.72Å; H482-T486 PolarHBondContact O-N 3.29Å; H482-T486 PolarHBondContact O-OG1 3.1Å |
| 483 | R | 94.2 | Very high | 91.7 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.3 | -74.1 | -178.1 | -167.8 | -173.4 | 4.6 | 112.4 | S479 K480 Y485 T486 D487 A524 | S479-R483 WeakPolarHBondContact O-CG 3.35Å; S479-R483 PolarHBondContact O-N 3.37Å; S479-R483 VanDerWaalsContact O-N 3.12Å; K480-R483 PolarHBondContact O-N 2.95Å; R483-Y485 VanDerWaalsContact C-N 3.27Å; R483-Y485 PolarHBondContact O-N 2.89Å; R483-T486 VanDerWaalsContact CA-OG1 3.31Å; R483-T486 WeakPolarHBondContact CA-OG1 3.22Å; R483-T486 PolarHBondContact O-N 2.92Å; R483-T486 PolarHBondContact O-OG1 3.48Å; R483-D487 WeakPolarHBondContact O-CB 3.04Å; R483-D487 PolarHBondContact O-N 2.85Å; R483-A524 HydrophobicContact CB-CB 3.87Å |
| 484 | M | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 175.3 | -66.7 | 169 | 60 | 0 | 0 | 111.8 | L447 A448 L451 K480 L481 A524 W525 | L447-M484 HydrophobicContact CB-CE 4.38Å; L447-M484 HydrophobicContact CD2-CE 4.22Å; L447-M484 HydrophobicContact CG-CE 4.24Å; A448-M484 HydrophobicContact CB-CE 3.63Å; L451-M484 HydrophobicContact CD1-CB 4.37Å; K480-M484 VanDerWaalsContact O-CG 3.31Å; K480-M484 WeakPolarHBondContact O-CG 3.41Å; K480-M484 PolarHBondContact O-N 3.33Å; L481-M484 WeakPolarHBondContact O-CB 3.21Å; L481-M484 PolarHBondContact O-N 3.39Å; M484-A524 HydrophobicContact CG-CB 4.47Å; M484-W525 HydrophobicContact CB-CD2 4.32Å; M484-W525 HydrophobicContact CB-CH2 4.19Å; M484-W525 HydrophobicContact CB-CZ2 3.67Å; M484-W525 HydrophobicContact CE-CD2 4.12Å; M484-W525 HydrophobicContact CE-CE3 3.76Å; M484-W525 HydrophobicContact CE-CH2 4.32Å; M484-W525 HydrophobicContact CE-CZ3 3.87Å; M484-W525 HydrophobicContact CG-CD2 3.78Å; M484-W525 HydrophobicContact CG-CE3 4.36Å; M484-W525 HydrophobicContact CG-CG 3.98Å; M484-W525 HydrophobicContact CG-CZ2 4.07Å; M484-W525 VanDerWaalsContact O-CZ2 3.25Å; M484-W525 WeakPolarHBondContact O-CZ2 3.4Å |
| 485 | Y | 92.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -48.8 | 175.5 | -179.1 | -98.6 | 0 | 0 | 0 | 112.1 | M459 E463 L481 H482 R483 D487 M488 | M459-Y485 HydrophobicContact CB-CE2 4.24Å; M459-Y485 HydrophobicContact CE-CD2 3.95Å; M459-Y485 HydrophobicContact CE-CE2 3.64Å; M459-Y485 WeakPolarHBondContact O-CE2 3.43Å; E463-Y485 HydrophobicContact CB-CE1 4.16Å; E463-Y485 HydrophobicContact CB-CE2 4.06Å; E463-Y485 HydrophobicContact CG-CE1 4.23Å; E463-Y485 WeakPolarHBondContact OE2-CE1 3.21Å; E463-Y485 PolarHBondContact OE2-OH 3.47Å; L481-Y485 PolarHBondContact O-N 2.7Å; H482-Y485 WeakPolarHBondContact O-CB 3.27Å; H482-Y485 PolarHBondContact O-N 2.72Å; R483-Y485 VanDerWaalsContact C-N 3.27Å; R483-Y485 PolarHBondContact O-N 2.89Å; Y485-D487 VanDerWaalsContact C-N 3.29Å; Y485-D487 PolarHBondContact O-N 3.24Å; Y485-M488 WeakPolarHBondContact O-CB 3.41Å; Y485-M488 PolarHBondContact O-N 3.07Å; Y485-M488 VanDerWaalsContact O-N 3.17Å |
| 486 | T | 93.8 | Very high | 92.4 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -34.7 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | H482 R483 M488 S489 V490 | H482-T486 PolarHBondContact O-N 3.29Å; H482-T486 PolarHBondContact O-OG1 3.1Å; R483-T486 VanDerWaalsContact CA-OG1 3.31Å; R483-T486 WeakPolarHBondContact CA-OG1 3.22Å; R483-T486 PolarHBondContact O-N 2.92Å; R483-T486 PolarHBondContact O-OG1 3.48Å; T486-M488 PolarHBondContact O-N 3.41Å; T486-S489 PolarHBondContact O-N 3.21Å; T486-S489 VanDerWaalsContact O-N 3.13Å; T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.08Å |
| 487 | D | 94 | Very high | 92.6 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -31.7 | 177.8 | -76.6 | -7.7 | 0 | 0 | 0 | 111.7 | R483 Y485 S491 Q521 W525 | R483-D487 WeakPolarHBondContact O-CB 3.04Å; R483-D487 PolarHBondContact O-N 2.85Å; Y485-D487 VanDerWaalsContact C-N 3.29Å; Y485-D487 PolarHBondContact O-N 3.24Å; D487-S491 WeakPolarHBondContact O-CB 3.44Å; D487-S491 PolarHBondContact O-N 2.93Å; D487-S491 PolarHBondContact O-OG 3.27Å; D487-Q521 PolarHBondContact OD2-N 2.86Å; D487-W525 HydrophobicContact CB-CZ2 4.15Å; D487-W525 PolarHBondContact OD2-NE1 2.89Å |
| 488 | M | 92.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.7 | -63.2 | -62.4 | 88.9 | 0 | 0 | 111.8 | L451 M459 Y485 T486 S491 A492 Y518 L520 W525 | L451-M488 HydrophobicContact CB-CG 4.2Å; L451-M488 HydrophobicContact CB-SD 3.96Å; L451-M488 HydrophobicContact CD1-CG 4.07Å; L451-M488 HydrophobicContact CD2-CG 4.2Å; L451-M488 HydrophobicContact CG-CG 4.39Å; M459-M488 HydrophobicContact CE-CB 4.46Å; Y485-M488 WeakPolarHBondContact O-CB 3.41Å; Y485-M488 PolarHBondContact O-N 3.07Å; Y485-M488 VanDerWaalsContact O-N 3.17Å; T486-M488 PolarHBondContact O-N 3.41Å; M488-S491 PolarHBondContact O-N 3.32Å; M488-A492 PolarHBondContact O-N 3.17Å; M488-Y518 HydrophobicContact CE-CD1 4.16Å; M488-Y518 HydrophobicContact CE-CG 4.47Å; M488-Y518 HydrophobicContact SD-CD1 4.16Å; M488-Y518 HydrophobicContact SD-CE1 4.4Å; M488-L520 HydrophobicContact CE-CD2 3.27Å; M488-W525 HydrophobicContact CE-CH2 3.5Å; M488-W525 VanDerWaalsContact CE-CH2 3.5Å; M488-W525 HydrophobicContact CE-CZ2 3.49Å; M488-W525 VanDerWaalsContact CE-CZ2 3.49Å; M488-W525 HydrophobicContact SD-CH2 4.11Å |
| 489 | S | 90.5 | Very high | 92.5 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.6 | -40.7 | 178.7 | -162.2 | 0 | 0 | 0 | 0 | 111.6 | T486 S491 A492 D493 | T486-S489 PolarHBondContact O-N 3.21Å; T486-S489 VanDerWaalsContact O-N 3.13Å; S489-S491 VanDerWaalsContact C-N 3.32Å; S489-A492 PolarHBondContact O-N 2.95Å; S489-D493 PolarHBondContact O-N 3.34Å; S489-D493 VanDerWaalsContact O-N 3.14Å |
| 490 | V | 93.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | T486 D493 L494 | T486-V490 WeakPolarHBondContact O-CG2 3.47Å; T486-V490 PolarHBondContact O-N 3.08Å; V490-D493 PolarHBondContact O-N 3.36Å; V490-L494 WeakPolarHBondContact O-CB 3.35Å; V490-L494 PolarHBondContact O-N 2.88Å |
| 491 | S | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.4 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | D487 M488 S489 L494 N495 V519 | D487-S491 WeakPolarHBondContact O-CB 3.44Å; D487-S491 PolarHBondContact O-N 2.93Å; D487-S491 PolarHBondContact O-OG 3.27Å; M488-S491 PolarHBondContact O-N 3.32Å; S489-S491 VanDerWaalsContact C-N 3.32Å; S491-L494 PolarHBondContact O-N 3.13Å; S491-N495 PolarHBondContact O-N 3.31Å; S491-N495 PolarHBondContact O-ND2 3.26Å; S491-V519 PolarHBondContact OG-N 3.38Å; S491-V519 PolarHBondContact OG-O 3.01Å |
| 492 | A | 91.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M488 S489 L494 N495 N496 | M488-A492 PolarHBondContact O-N 3.17Å; S489-A492 PolarHBondContact O-N 2.95Å; A492-L494 VanDerWaalsContact C-N 3.34Å; A492-L494 PolarHBondContact O-N 3.37Å; A492-N495 PolarHBondContact O-N 3.41Å; A492-N496 PolarHBondContact O-N 3.11Å; A492-N496 VanDerWaalsContact O-N 3.12Å; A492-N496 PolarHBondContact O-ND2 3.47Å |
| 493 | D | 93.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.8 | 179.6 | 57.1 | 0 | 0 | 0 | 112 | S489 V490 N495 N496 K497 | S489-D493 PolarHBondContact O-N 3.34Å; S489-D493 VanDerWaalsContact O-N 3.14Å; V490-D493 PolarHBondContact O-N 3.36Å; D493-N495 PolarHBondContact O-N 3.47Å; D493-N496 WeakPolarHBondContact O-CB 3.23Å; D493-N496 PolarHBondContact O-N 3.04Å; D493-K497 WeakPolarHBondContact O-CG 3.49Å; D493-K497 PolarHBondContact O-N 3.15Å; D493-K497 WeakPolarHBondContact OD2-CE 3.32Å; D493-K497 IonicContact OD2-NZ 2.65Å; D493-K497 PolarHBondContact OD2-NZ 3.27Å |
| 494 | L | 93.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177 | -170.6 | 67.4 | 0 | 0 | 0 | 112.4 | V490 S491 A492 N496 K497 F498 V519 F548 F551 Y552 F556 | V490-L494 WeakPolarHBondContact O-CB 3.35Å; V490-L494 PolarHBondContact O-N 2.88Å; S491-L494 PolarHBondContact O-N 3.13Å; A492-L494 VanDerWaalsContact C-N 3.34Å; A492-L494 PolarHBondContact O-N 3.37Å; L494-N496 VanDerWaalsContact C-N 3.32Å; L494-N496 PolarHBondContact O-N 3.46Å; L494-K497 PolarHBondContact O-N 3.01Å; L494-F498 WeakPolarHBondContact O-CB 3.44Å; L494-F498 PolarHBondContact O-N 3.03Å; L494-V519 HydrophobicContact CD2-CB 4.13Å; L494-V519 HydrophobicContact CD2-CG2 3.48Å; L494-V519 VanDerWaalsContact CD2-CG2 3.48Å; L494-F548 HydrophobicContact CD2-CE2 4.49Å; L494-F548 HydrophobicContact CD2-CZ 3.97Å; L494-F551 HydrophobicContact CD1-CE1 3.62Å; L494-F551 HydrophobicContact CD1-CZ 3.94Å; L494-F551 HydrophobicContact CG-CE1 4.09Å; L494-Y552 HydrophobicContact CD2-CD2 4Å; L494-Y552 HydrophobicContact CD2-CE2 3.83Å; L494-F556 HydrophobicContact CD1-CE2 3.92Å; L494-F556 HydrophobicContact CD1-CZ 4.35Å |
| 495 | N | 92.7 | Very high | 89.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 173.3 | -76 | -51.1 | 0 | 0 | 0 | 111.6 | S491 A492 D493 F498 N499 I517 | S491-N495 PolarHBondContact O-N 3.31Å; S491-N495 PolarHBondContact O-ND2 3.26Å; A492-N495 PolarHBondContact O-N 3.41Å; D493-N495 PolarHBondContact O-N 3.47Å; N495-F498 PolarHBondContact O-N 3.16Å; N495-N499 WeakPolarHBondContact O-CB 3.47Å; N495-N499 VanDerWaalsContact O-CG 3.23Å; N495-N499 PolarHBondContact O-N 2.81Å; N495-N499 PolarHBondContact O-ND2 3.32Å; N495-N499 VanDerWaalsContact O-ND2 3.14Å; N495-I517 PolarHBondContact ND2-O 3.44Å; N495-I517 PolarHBondContact OD1-N 3.08Å; N495-I517 PolarHBondContact OD1-O 3.03Å |
| 496 | N | 91.9 | Very high | 88.1 | Confident | 95 Ų | 95 | 65.1 Ų | 65.1 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.8 | -69.1 | -28.1 | 0 | 0 | 0 | 111.6 | A492 D493 L494 N499 N500 | A492-N496 PolarHBondContact O-N 3.11Å; A492-N496 VanDerWaalsContact O-N 3.12Å; A492-N496 PolarHBondContact O-ND2 3.47Å; D493-N496 WeakPolarHBondContact O-CB 3.23Å; D493-N496 PolarHBondContact O-N 3.04Å; L494-N496 VanDerWaalsContact C-N 3.32Å; L494-N496 PolarHBondContact O-N 3.46Å; N496-N499 PolarHBondContact O-N 3.42Å; N496-N500 VanDerWaalsContact O-CG 3.31Å; N496-N500 PolarHBondContact O-N 2.99Å; N496-N500 PolarHBondContact O-ND2 3.29Å |
| 497 | K | 91.9 | Very high | 86.8 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.7 | -71.3 | 168.8 | 175.9 | 164.8 | 0 | 112 | D493 L494 N500 F501 F551 | D493-K497 WeakPolarHBondContact O-CG 3.49Å; D493-K497 PolarHBondContact O-N 3.15Å; D493-K497 WeakPolarHBondContact OD2-CE 3.32Å; D493-K497 IonicContact OD2-NZ 2.65Å; D493-K497 PolarHBondContact OD2-NZ 3.27Å; L494-K497 PolarHBondContact O-N 3.01Å; K497-N500 PolarHBondContact O-N 3.03Å; K497-F501 WeakPolarHBondContact O-CB 3.47Å; K497-F501 PolarHBondContact O-N 3.39Å; K497-F551 HydrophobicContact CB-CE2 4.34Å; K497-F551 HydrophobicContact CB-CZ 3.78Å |
| 498 | F | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.1 | 176.1 | -111.4 | 0 | 0 | 0 | 111.9 | L494 N495 N500 F501 I502 L511 F515 M547 F548 F551 | L494-F498 WeakPolarHBondContact O-CB 3.44Å; L494-F498 PolarHBondContact O-N 3.03Å; N495-F498 PolarHBondContact O-N 3.16Å; F498-N500 PolarHBondContact O-N 3Å; F498-F501 WeakPolarHBondContact O-CB 3.43Å; F498-F501 PolarHBondContact O-N 2.83Å; F498-F501 VanDerWaalsContact O-N 3.09Å; F498-I502 HydrophobicContact CD1-CG1 4.43Å; F498-I502 HydrophobicContact CD2-CG1 4.25Å; F498-I502 HydrophobicContact CE1-CD1 4.48Å; F498-I502 HydrophobicContact CE1-CG1 4Å; F498-I502 HydrophobicContact CE2-CD1 3.72Å; F498-I502 HydrophobicContact CE2-CG1 3.81Å; F498-I502 HydrophobicContact CZ-CD1 3.7Å; F498-I502 HydrophobicContact CZ-CG1 3.69Å; F498-I502 WeakPolarHBondContact O-CG1 3.44Å; F498-I502 PolarHBondContact O-N 3.12Å; F498-L511 HydrophobicContact CE1-CD1 4.09Å; F498-L511 HydrophobicContact CZ-CD1 4.26Å; F498-F515 AromaticContact CE1-CD1 3.98Å; F498-F515 HydrophobicContact CE1-CD1 3.98Å; F498-F515 HydrophobicContact CE1-CE1 4.49Å; F498-M547 HydrophobicContact CE2-CB 4.37Å; F498-M547 HydrophobicContact CZ-CB 4.35Å; F498-F548 HydrophobicContact CB-CD2 4.31Å; F498-F548 HydrophobicContact CB-CE2 4.38Å; F498-F548 HydrophobicContact CD1-CD2 4.15Å; F498-F548 HydrophobicContact CD2-CB 4.49Å; F498-F548 AromaticContact CD2-CD2 3.76Å; F498-F548 HydrophobicContact CD2-CD2 3.76Å; F498-F548 HydrophobicContact CE1-CD2 4.42Å; F498-F548 HydrophobicContact CE2-CB 3.97Å; F498-F548 HydrophobicContact CE2-CD2 4.06Å; F498-F548 AromaticContact CG-CD2 3.79Å; F498-F548 HydrophobicContact CG-CD2 3.79Å; F498-F548 HydrophobicContact CG-CE2 4.34Å; F498-F548 HydrophobicContact CZ-CB 4.08Å; F498-F548 HydrophobicContact CZ-CD2 4.36Å; F498-F551 HydrophobicContact CB-CD1 4Å; F498-F551 HydrophobicContact CB-CE1 3.8Å; F498-F551 HydrophobicContact CB-CZ 4.15Å; F498-F551 HydrophobicContact CD2-CB 3.84Å; F498-F551 AromaticContact CD2-CD1 3.73Å; F498-F551 HydrophobicContact CD2-CD1 3.73Å; F498-F551 HydrophobicContact CD2-CD2 4.41Å; F498-F551 HydrophobicContact CD2-CE1 4.4Å; F498-F551 AromaticContact CD2-CG 3.73Å; F498-F551 HydrophobicContact CD2-CG 3.73Å; F498-F551 HydrophobicContact CE2-CB 4.2Å; F498-F551 HydrophobicContact CG-CD1 4.3Å |
| 499 | N | 88.9 | Confident | 84.5 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 177 | -73.9 | -32.5 | 0 | 0 | 0 | 112.5 | N495 N496 K503 | N495-N499 WeakPolarHBondContact O-CB 3.47Å; N495-N499 VanDerWaalsContact O-CG 3.23Å; N495-N499 PolarHBondContact O-N 2.81Å; N495-N499 PolarHBondContact O-ND2 3.32Å; N495-N499 VanDerWaalsContact O-ND2 3.14Å; N496-N499 PolarHBondContact O-N 3.42Å; N499-K503 WeakPolarHBondContact O-CG 3.47Å; N499-K503 PolarHBondContact O-N 2.73Å |
| 500 | N | 88.4 | Confident | 83.8 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71 | -44 | 172.8 | -69.6 | -17.7 | 0 | 0 | 0 | 111.4 | N496 K497 F498 I502 K503 T504 | N496-N500 VanDerWaalsContact O-CG 3.31Å; N496-N500 PolarHBondContact O-N 2.99Å; N496-N500 PolarHBondContact O-ND2 3.29Å; K497-N500 PolarHBondContact O-N 3.03Å; F498-N500 PolarHBondContact O-N 3Å; N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3Å; N500-K503 PolarHBondContact O-N 3.5Å; N500-T504 PolarHBondContact O-N 3.05Å; N500-T504 PolarHBondContact O-OG1 3.3Å |
| 501 | F | 87.5 | Confident | 83 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 18% | 0.18 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.9 | -44.8 | 176.1 | 176.1 | -101.6 | 0 | 0 | 0 | 112.2 | K497 F498 K503 T504 Q505 M547 L550 F551 | K497-F501 WeakPolarHBondContact O-CB 3.47Å; K497-F501 PolarHBondContact O-N 3.39Å; F498-F501 WeakPolarHBondContact O-CB 3.43Å; F498-F501 PolarHBondContact O-N 2.83Å; F498-F501 VanDerWaalsContact O-N 3.09Å; F501-K503 VanDerWaalsContact C-N 3.29Å; F501-K503 PolarHBondContact O-N 3.07Å; F501-T504 PolarHBondContact O-N 2.95Å; F501-Q505 PolarHBondContact O-N 3.21Å; F501-M547 HydrophobicContact CE1-CE 4.49Å; F501-L550 HydrophobicContact CE1-CD2 3.98Å; F501-L550 HydrophobicContact CZ-CD2 3.64Å; F501-F551 HydrophobicContact CB-CD2 3.71Å; F501-F551 HydrophobicContact CB-CE2 3.97Å; F501-F551 HydrophobicContact CD1-CB 3.89Å; F501-F551 AromaticContact CD1-CD2 3.86Å; F501-F551 HydrophobicContact CD1-CD2 3.86Å; F501-F551 HydrophobicContact CD1-CG 4.24Å; F501-F551 HydrophobicContact CD2-CD2 4Å; F501-F551 HydrophobicContact CE1-CB 3.89Å; F501-F551 HydrophobicContact CE1-CD2 4.44Å; F501-F551 HydrophobicContact CG-CB 4.48Å; F501-F551 AromaticContact CG-CD2 3.6Å; F501-F551 HydrophobicContact CG-CD2 3.6Å; F501-F551 HydrophobicContact CG-CE2 4.31Å; F501-F551 HydrophobicContact CG-CG 4.42Å; F501-F551 HydrophobicContact CZ-CB 4.49Å |
| 502 | I | 85.6 | Confident | 82.1 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | 177.3 | -64.2 | -64.7 | 0 | 0 | 0 | 112.5 | F498 N500 V509 L511 M547 | F498-I502 HydrophobicContact CD1-CG1 4.43Å; F498-I502 HydrophobicContact CD2-CG1 4.25Å; F498-I502 HydrophobicContact CE1-CD1 4.48Å; F498-I502 HydrophobicContact CE1-CG1 4Å; F498-I502 HydrophobicContact CE2-CD1 3.72Å; F498-I502 HydrophobicContact CE2-CG1 3.81Å; F498-I502 HydrophobicContact CZ-CD1 3.7Å; F498-I502 HydrophobicContact CZ-CG1 3.69Å; F498-I502 WeakPolarHBondContact O-CG1 3.44Å; F498-I502 PolarHBondContact O-N 3.12Å; N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3Å; I502-V509 HydrophobicContact CG2-CB 4.46Å; I502-V509 WeakPolarHBondContact CG2-O 3.49Å; I502-L511 HydrophobicContact CG1-CD1 4.41Å; I502-M547 HydrophobicContact CD1-CB 4.12Å; I502-M547 HydrophobicContact CD1-CE 4.02Å |
| 503 | K | 83.8 | Confident | 81.8 | Confident | 156 Ų | 156 | 76 Ų | 76 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79.7 | -26.9 | 179.5 | -71 | 173.5 | -176.5 | 178.7 | 0 | 113.9 | N499 N500 F501 | N499-K503 WeakPolarHBondContact O-CG 3.47Å; N499-K503 PolarHBondContact O-N 2.73Å; N500-K503 PolarHBondContact O-N 3.5Å; F501-K503 VanDerWaalsContact C-N 3.29Å; F501-K503 PolarHBondContact O-N 3.07Å |
| 504 | T | 79.8 | Confident | 81.3 | Confident | 118 Ų | 118 | 78 Ų | 78 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -94.8 | -6.3 | -171.9 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | N500 F501 | N500-T504 PolarHBondContact O-N 3.05Å; N500-T504 PolarHBondContact O-OG1 3.3Å; F501-T504 PolarHBondContact O-N 2.95Å |
| 505 | Q | 73.9 | Confident | 81 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -63.9 | 148.3 | 172.9 | -71.4 | -167.5 | 5.9 | 0 | 0 | 111.8 | F501 S507 | F501-Q505 PolarHBondContact O-N 3.21Å; Q505-S507 CarbonylContact O-C 3.55Å; Q505-S507 PolarHBondContact O-N 3.48Å |
| 506 | E | 59.9 | Low | 80.8 | Confident | 212 Ų | 212 | 85 Ų | 85 | 99% | 0.991 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -54.8 | -25.9 | -177.7 | -69.4 | -176.8 | 162.5 | 0 | 0 | 113.2 | ||
| 507 | S | 66.5 | Low | 80.8 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -119.8 | 122.1 | 162.7 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | Q505 V509 | Q505-S507 CarbonylContact O-C 3.55Å; Q505-S507 PolarHBondContact O-N 3.48Å; S507-V509 PolarHBondContact O-N 3.42Å |
| 508 | P | 66.2 | Low | 80.7 | Confident | 102 Ų | 102 | 81.6 Ų | 81.6 | 66% | 0.662 | 44% | 0.444 | S | S | * | . | trans | -64.2 | 112.3 | 178 | 24.3 | -31.2 | 0 | 0 | 0 | 109.1 | E510 | P508-E510 PolarHBondContact O-N 3.28Å; P508-E510 VanDerWaalsContact O-N 3.14Å | ||
| 509 | V | 72.6 | Confident | 80.8 | Confident | 27 Ų | 27 | 83 Ų | 83 | 16% | 0.164 | 45% | 0.452 | C | S | . | . | trans | -77.5 | 102.1 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | I502 S507 L511 K543 M547 | I502-V509 HydrophobicContact CG2-CB 4.46Å; I502-V509 WeakPolarHBondContact CG2-O 3.49Å; S507-V509 PolarHBondContact O-N 3.42Å; V509-L511 HydrophobicContact CG1-CD2 4.38Å; V509-L511 PolarHBondContact O-N 3.36Å; V509-K543 VanDerWaalsContact CG1-CE 3.42Å; V509-M547 HydrophobicContact CG1-CE 4.5Å; V509-M547 HydrophobicContact CG2-CE 4.12Å | ||
| 510 | E | 74.4 | Confident | 80.9 | Confident | 168 Ų | 168 | 82.3 Ų | 82.3 | 79% | 0.785 | 45% | 0.448 | S | S | * | . | trans | -71 | 116 | 169.6 | -72.1 | -169.1 | 165.1 | 0 | 0 | 109.7 | P508 G512 K543 | P508-E510 PolarHBondContact O-N 3.28Å; P508-E510 VanDerWaalsContact O-N 3.14Å; E510-G512 VanDerWaalsContact C-N 3.33Å; E510-K543 PolarHBondContact O-NZ 2.64Å | ||
| 511 | L | 76.9 | Confident | 81 | Confident | 29 Ų | 29 | 82.3 Ų | 82.3 | 15% | 0.152 | 45% | 0.445 | C | S | . | . | trans | -77 | -20.4 | 176 | -66.1 | 177.1 | 0 | 0 | 0 | 112.3 | F498 I502 V509 I513 M547 | F498-L511 HydrophobicContact CE1-CD1 4.09Å; F498-L511 HydrophobicContact CZ-CD1 4.26Å; I502-L511 HydrophobicContact CG1-CD1 4.41Å; V509-L511 HydrophobicContact CG1-CD2 4.38Å; V509-L511 PolarHBondContact O-N 3.36Å; L511-I513 PolarHBondContact O-N 3.29Å; L511-M547 HydrophobicContact CD2-CG 4.43Å | ||
| 512 | G | 74.8 | Confident | 80.9 | Confident | 79 Ų | 79 | 84.3 Ų | 84.3 | 81% | 0.814 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 70.7 | -8.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E510 | E510-G512 VanDerWaalsContact C-N 3.33Š|
| 513 | I | 83.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 86.2 Ų | 86.2 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -134.9 | 152 | 179.8 | 62.1 | 175.1 | 0 | 0 | 0 | 111.6 | L511 F515 L541 S544 | L511-I513 PolarHBondContact O-N 3.29Å; I513-F515 PolarHBondContact O-N 3.14Å; I513-L541 HydrophobicContact CD1-CD2 3.57Å; I513-S544 WeakPolarHBondContact CD1-OG 3.09Å |
| 514 | S | 84.1 | Confident | 81.1 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 83% | 0.832 | 46% | 0.463 | S | S | * | . | trans | -78.1 | 118.2 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 515 | F | 86.9 | Confident | 81.6 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | trans | -124.8 | 130 | -172.4 | -173.8 | -113.1 | 0 | 0 | 0 | 111.1 | F498 I513 I517 V545 F548 W563 | F498-F515 AromaticContact CE1-CD1 3.98Å; F498-F515 HydrophobicContact CE1-CD1 3.98Å; F498-F515 HydrophobicContact CE1-CE1 4.49Å; I513-F515 PolarHBondContact O-N 3.14Å; F515-I517 HydrophobicContact CD1-CD1 4.24Å; F515-I517 HydrophobicContact CD1-CG1 4.38Å; F515-I517 HydrophobicContact CE1-CD1 3.19Å; F515-I517 HydrophobicContact CE1-CG1 3.62Å; F515-I517 HydrophobicContact CE2-CG1 4.36Å; F515-I517 HydrophobicContact CZ-CD1 3.38Å; F515-I517 HydrophobicContact CZ-CG1 3.61Å; F515-V545 HydrophobicContact CZ-CG2 4.41Å; F515-F548 HydrophobicContact CE1-CB 4.13Å; F515-W563 HydrophobicContact CZ-CH2 4.38Å | ||
| 516 | Q | 88 | Confident | 82 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | trans | -138.2 | 139.5 | 177.8 | -67.1 | -177.3 | -11.3 | 0 | 0 | 109.2 | ||||
| 517 | I | 90.9 | Very high | 82.8 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | trans | -123.1 | 145.3 | -179.6 | -76.5 | 170.4 | 0 | 0 | 0 | 111.1 | N495 F515 V519 F548 W563 | N495-I517 PolarHBondContact ND2-O 3.44Å; N495-I517 PolarHBondContact OD1-N 3.08Å; N495-I517 PolarHBondContact OD1-O 3.03Å; F515-I517 HydrophobicContact CD1-CD1 4.24Å; F515-I517 HydrophobicContact CD1-CG1 4.38Å; F515-I517 HydrophobicContact CE1-CD1 3.19Å; F515-I517 HydrophobicContact CE1-CG1 3.62Å; F515-I517 HydrophobicContact CE2-CG1 4.36Å; F515-I517 HydrophobicContact CZ-CD1 3.38Å; F515-I517 HydrophobicContact CZ-CG1 3.61Å; I517-V519 HydrophobicContact CG2-CG2 3.72Å; I517-F548 HydrophobicContact CB-CE2 4.29Å; I517-F548 HydrophobicContact CB-CZ 4.18Å; I517-F548 HydrophobicContact CD1-CB 3.86Å; I517-F548 HydrophobicContact CD1-CD1 3.29Å; I517-F548 HydrophobicContact CD1-CD2 3.47Å; I517-F548 VanDerWaalsContact CD1-CD2 3.47Å; I517-F548 HydrophobicContact CD1-CE1 3.57Å; I517-F548 HydrophobicContact CD1-CE2 3.72Å; I517-F548 HydrophobicContact CD1-CG 3.22Å; I517-F548 HydrophobicContact CD1-CZ 3.76Å; I517-F548 HydrophobicContact CG2-CE1 3.97Å; I517-F548 HydrophobicContact CG2-CE2 4.37Å; I517-F548 HydrophobicContact CG2-CZ 3.76Å; I517-W563 HydrophobicContact CD1-CH2 3.48Å; I517-W563 VanDerWaalsContact CD1-CH2 3.48Å; I517-W563 HydrophobicContact CD1-CZ3 3.83Å; I517-W563 HydrophobicContact CG1-CH2 4.33Å; I517-W563 HydrophobicContact CG1-CZ3 4.18Å | ||
| 518 | Y | 91.6 | Very high | 82.8 | Confident | 111 Ų | 111 | 66 Ų | 66 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | trans | -105.7 | 120.5 | 162.6 | -60.3 | -64.8 | 0 | 0 | 0 | 109.8 | M488 | M488-Y518 HydrophobicContact CE-CD1 4.16Å; M488-Y518 HydrophobicContact CE-CG 4.47Å; M488-Y518 HydrophobicContact SD-CD1 4.16Å; M488-Y518 HydrophobicContact SD-CE1 4.4Å | ||
| 519 | V | 92.1 | Very high | 82.2 | Confident | 30 Ų | 30 | 68 Ų | 68 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -99 | 115 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | S491 L494 I517 F548 Y552 | S491-V519 PolarHBondContact OG-N 3.38Å; S491-V519 PolarHBondContact OG-O 3.01Å; L494-V519 HydrophobicContact CD2-CB 4.13Å; L494-V519 HydrophobicContact CD2-CG2 3.48Å; L494-V519 VanDerWaalsContact CD2-CG2 3.48Å; I517-V519 HydrophobicContact CG2-CG2 3.72Å; V519-F548 HydrophobicContact CG2-CE1 4.25Å; V519-F548 HydrophobicContact CG2-CZ 3.87Å; V519-Y552 HydrophobicContact CG1-CE2 3.97Å; V519-Y552 HydrophobicContact CG2-CE2 4.19Å | ||
| 520 | L | 91.8 | Very high | 81.4 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 24% | 0.241 | 40% | 0.404 | C | S | . | . | trans | -115.3 | 137 | -169.6 | -48.1 | -177.5 | 0 | 0 | 0 | 110.7 | I452 M488 A522 W525 L527 | I452-L520 HydrophobicContact CD1-CD1 4.25Å; M488-L520 HydrophobicContact CE-CD2 3.27Å; L520-A522 PolarHBondContact O-N 3.11Å; L520-W525 HydrophobicContact CB-CD2 4.22Å; L520-W525 HydrophobicContact CB-CG 4.14Å; L520-W525 HydrophobicContact CD1-CD2 4.03Å; L520-W525 HydrophobicContact CD1-CE3 4.03Å; L520-W525 HydrophobicContact CD1-CZ3 4.33Å; L520-W525 HydrophobicContact CD2-CD2 4.32Å; L520-W525 HydrophobicContact CD2-CH2 4Å; L520-W525 HydrophobicContact CD2-CZ2 3.59Å; L520-W525 HydrophobicContact CG-CD2 4.42Å; L520-L527 HydrophobicContact CD1-CD1 3.61Å | ||
| 521 | Q | 90.4 | Very high | 80.3 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | trans | -76.8 | 110.7 | 175.8 | -171.5 | 177.3 | 2.2 | 0 | 0 | 111.2 | D487 G523 A524 | D487-Q521 PolarHBondContact OD2-N 2.86Å; Q521-G523 PolarHBondContact O-N 2.7Å; Q521-A524 PolarHBondContact O-N 3.3Å | ||
| 522 | A | 85 | Confident | 79 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -33.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L520 | L520-A522 PolarHBondContact O-N 3.11Š|
| 523 | G | 84.9 | Confident | 78.3 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q521 | Q521-G523 PolarHBondContact O-N 2.7Š|
| 524 | A | 87.6 | Confident | 77.6 | Confident | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -28.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R483 M484 Q521 | R483-A524 HydrophobicContact CB-CB 3.87Å; M484-A524 HydrophobicContact CG-CB 4.47Å; Q521-A524 PolarHBondContact O-N 3.3Å |
| 525 | W | 90.1 | Very high | 77.6 | Confident | 15 Ų | 15 | 66 Ų | 66 | 6% | 0.057 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -93.8 | 135.4 | -172.8 | -70.6 | 74.5 | 0 | 0 | 0 | 112 | A448 L451 I452 M484 D487 M488 L520 L527 | A448-W525 HydrophobicContact CB-CE3 3.83Å; A448-W525 HydrophobicContact CB-CZ3 3.89Å; L451-W525 HydrophobicContact CB-CH2 4.15Å; L451-W525 HydrophobicContact CD1-CH2 3.88Å; I452-W525 HydrophobicContact CD1-CE3 4.21Å; I452-W525 HydrophobicContact CD1-CZ3 3.86Å; I452-W525 HydrophobicContact CG1-CH2 4.47Å; I452-W525 HydrophobicContact CG1-CZ3 3.87Å; M484-W525 HydrophobicContact CB-CD2 4.32Å; M484-W525 HydrophobicContact CB-CH2 4.19Å; M484-W525 HydrophobicContact CB-CZ2 3.67Å; M484-W525 HydrophobicContact CE-CD2 4.12Å; M484-W525 HydrophobicContact CE-CE3 3.76Å; M484-W525 HydrophobicContact CE-CH2 4.32Å; M484-W525 HydrophobicContact CE-CZ3 3.87Å; M484-W525 HydrophobicContact CG-CD2 3.78Å; M484-W525 HydrophobicContact CG-CE3 4.36Å; M484-W525 HydrophobicContact CG-CG 3.98Å; M484-W525 HydrophobicContact CG-CZ2 4.07Å; M484-W525 VanDerWaalsContact O-CZ2 3.25Å; M484-W525 WeakPolarHBondContact O-CZ2 3.4Å; D487-W525 HydrophobicContact CB-CZ2 4.15Å; D487-W525 PolarHBondContact OD2-NE1 2.89Å; M488-W525 HydrophobicContact CE-CH2 3.5Å; M488-W525 VanDerWaalsContact CE-CH2 3.5Å; M488-W525 HydrophobicContact CE-CZ2 3.49Å; M488-W525 VanDerWaalsContact CE-CZ2 3.49Å; M488-W525 HydrophobicContact SD-CH2 4.11Å; L520-W525 HydrophobicContact CB-CD2 4.22Å; L520-W525 HydrophobicContact CB-CG 4.14Å; L520-W525 HydrophobicContact CD1-CD2 4.03Å; L520-W525 HydrophobicContact CD1-CE3 4.03Å; L520-W525 HydrophobicContact CD1-CZ3 4.33Å; L520-W525 HydrophobicContact CD2-CD2 4.32Å; L520-W525 HydrophobicContact CD2-CH2 4Å; L520-W525 HydrophobicContact CD2-CZ2 3.59Å; L520-W525 HydrophobicContact CG-CD2 4.42Å; W525-L527 HydrophobicContact CB-CD1 4.1Å; W525-L527 HydrophobicContact CB-CG 4.03Å; W525-L527 HydrophobicContact CE3-CD1 4.27Å; W525-L527 PolarHBondContact O-N 3.17Å |
| 526 | P | 83.5 | Confident | 77.4 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | trans | -82.3 | 46.4 | 177.1 | 36.4 | -36.9 | 0 | 0 | 0 | 111.4 | A444 R445 A448 | A444-P526 HydrophobicContact CB-CG 4.06Å; R445-P526 HydrophobicContact CB-CG 4.29Å; A448-P526 HydrophobicContact CB-CG 4.17Å | ||
| 527 | L | 77 | Confident | 77.2 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | trans | -93.3 | 114.9 | 177.6 | -60.7 | 175 | 0 | 0 | 0 | 107.6 | I452 L520 W525 H529 L564 L567 | I452-L527 HydrophobicContact CD1-CD1 4.23Å; I452-L527 HydrophobicContact CD1-CD2 4.15Å; L520-L527 HydrophobicContact CD1-CD1 3.61Å; W525-L527 HydrophobicContact CB-CD1 4.1Å; W525-L527 HydrophobicContact CB-CG 4.03Å; W525-L527 HydrophobicContact CE3-CD1 4.27Å; W525-L527 PolarHBondContact O-N 3.17Å; L527-H529 PolarHBondContact O-N 3.26Å; L527-L564 HydrophobicContact CB-CD1 4.36Å; L527-L564 HydrophobicContact CD1-CD1 3.76Å; L527-L567 HydrophobicContact CD1-CD1 3.82Å; L527-L567 HydrophobicContact CD2-CD1 3.76Å; L527-L567 HydrophobicContact CG-CD1 4.33Å | ||
| 528 | T | 65.1 | Low | 76.9 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | trans | -61.4 | 130.1 | 173.9 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | V530 Y566 | T528-V530 PolarHBondContact O-N 3.18Å; T528-Y566 PolarHBondContact O-OH 3Å | ||
| 529 | H | 54.3 | Low | 76.6 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 67% | 0.667 | 39% | 0.393 | S | S | * | . | trans | -63.3 | 88.5 | 158.9 | -79.1 | -82.5 | 0 | 0 | 0 | 107.3 | L527 | L527-H529 PolarHBondContact O-N 3.26Š| ||
| 530 | V | 55.3 | Low | 76.1 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | trans | -56.9 | 131.2 | 156.6 | -174 | 0 | 0 | 0 | 0 | 104.7 | T528 S532 Y566 | T528-V530 PolarHBondContact O-N 3.18Å; V530-S532 PolarHBondContact O-N 3.38Å; V530-S532 VanDerWaalsContact O-N 3.13Å; V530-Y566 HydrophobicContact CG2-CD1 4.38Å; V530-Y566 HydrophobicContact CG2-CE1 4.13Å | ||
| 531 | P | 50.9 | Low | 75.8 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 71% | 0.708 | 40% | 0.4 | S | S | * | . | trans | -48.6 | 129.2 | 175.1 | 19.4 | -30.8 | 0 | 0 | 0 | 107.4 | S533 | P531-S533 PolarHBondContact O-N 3.19Š| ||
| 532 | S | 51.5 | Low | 75.7 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | trans | -38.1 | 103.8 | -178.4 | 37 | 0 | 0 | 0 | 0 | 109.3 | V530 T534 | V530-S532 PolarHBondContact O-N 3.38Å; V530-S532 VanDerWaalsContact O-N 3.13Å; S532-T534 PolarHBondContact O-N 2.91Å | ||
| 533 | S | 59.1 | Low | 75.8 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | trans | -63.1 | 136 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 106 | P531 F535 Y588 | P531-S533 PolarHBondContact O-N 3.19Å; S533-F535 PolarHBondContact O-N 3.38Å; S533-Y588 PolarHBondContact OG-OH 3.47Å; S533-Y588 VanDerWaalsContact OG-OH 3.11Å | ||
| 534 | T | 69.6 | Low | 76 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | trans | -68.7 | 19.2 | 176.1 | 42 | 0 | 0 | 0 | 0 | 112.5 | S532 A536 Q612 | S532-T534 PolarHBondContact O-N 2.91Å; T534-A536 PolarHBondContact O-N 3.21Å; T534-Q612 CarbonylContact C-O 3.52Å; T534-Q612 WeakPolarHBondContact O-CB 3.47Å; T534-Q612 PolarHBondContact OG1-O 2.87Å | ||
| 535 | F | 82.8 | Confident | 76 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -55.9 | 119.9 | -169.8 | 175.9 | -108.5 | 0 | 0 | 0 | 111.4 | S533 I537 H565 T587 Y588 A591 T611 M613 | S533-F535 PolarHBondContact O-N 3.38Å; F535-I537 HydrophobicContact CD1-CG1 4.22Å; F535-I537 HydrophobicContact CE1-CG1 4.26Å; F535-I537 PolarHBondContact O-N 3.43Å; F535-H565 HydrophobicContact CD1-CB 4.03Å; F535-H565 AromaticContact CD1-CD2 3.92Å; F535-H565 AromaticContact CD1-CG 3.82Å; F535-H565 HydrophobicContact CE1-CB 4.41Å; F535-T587 HydrophobicContact CE1-CG2 3.74Å; F535-T587 HydrophobicContact CZ-CG2 3.88Å; F535-Y588 HydrophobicContact CB-CE1 4.19Å; F535-Y588 HydrophobicContact CD1-CE1 4.22Å; F535-Y588 AromaticContact CD2-CD1 3.73Å; F535-Y588 HydrophobicContact CD2-CD1 3.73Å; F535-Y588 AromaticContact CD2-CE1 3.73Å; F535-Y588 HydrophobicContact CD2-CE1 3.73Å; F535-Y588 HydrophobicContact CE1-CD1 4.49Å; F535-Y588 AromaticContact CE2-CD1 3.65Å; F535-Y588 HydrophobicContact CE2-CD1 3.65Å; F535-Y588 HydrophobicContact CE2-CE1 4.11Å; F535-Y588 HydrophobicContact CG-CD1 4.18Å; F535-Y588 AromaticContact CG-CE1 3.77Å; F535-Y588 HydrophobicContact CG-CE1 3.77Å; F535-Y588 HydrophobicContact CZ-CD1 4.04Å; F535-Y588 HydrophobicContact CZ-CE1 4.49Å; F535-A591 HydrophobicContact CE2-CB 3.71Å; F535-A591 HydrophobicContact CZ-CB 3.68Å; F535-T611 WeakPolarHBondContact CA-O 3.27Å; F535-T611 WeakPolarHBondContact CD2-O 3.46Å; F535-M613 HydrophobicContact CD2-CG 3.67Å; F535-M613 HydrophobicContact CD2-SD 4.24Å; F535-M613 HydrophobicContact CE2-CG 4.19Å; F535-M613 HydrophobicContact CE2-SD 4.2Å | ||
| 536 | A | 83.8 | Confident | 76 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | trans | -77.5 | 115.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | T534 S610 T611 Q612 | T534-A536 PolarHBondContact O-N 3.21Å; A536-S610 WeakPolarHBondContact CB-O 3.49Å; A536-T611 PolarHBondContact N-O 2.94Å; A536-Q612 HydrophobicContact CB-CB 4.35Å; A536-Q612 HydrophobicContact CB-CG 4.27Å | ||
| 537 | I | 84.4 | Confident | 76.2 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | trans | -68.8 | 133.3 | 177.8 | -58.1 | 171.7 | 0 | 0 | 0 | 108.3 | F535 L541 V545 H565 | F535-I537 HydrophobicContact CD1-CG1 4.22Å; F535-I537 HydrophobicContact CE1-CG1 4.26Å; F535-I537 PolarHBondContact O-N 3.43Å; I537-L541 HydrophobicContact CG2-CB 3.71Å; I537-L541 HydrophobicContact CG2-CD1 4.18Å; I537-V545 HydrophobicContact CD1-CG1 4.47Å; I537-V545 HydrophobicContact CD1-CG2 4.47Å; I537-H565 VanDerWaalsContact CD1-CE1 3.42Å; I537-H565 WeakPolarHBondContact CD1-CE1 3.4Å | ||
| 538 | P | 84.6 | Confident | 76.9 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | trans | -55 | 141.7 | 174.9 | -26.4 | 34.7 | 0 | 0 | 0 | 112.3 | E540 L541 E542 A591 L594 | P538-E540 WeakPolarHBondContact CB-OE2 3.41Å; P538-E540 PolarHBondContact O-N 3.17Å; P538-E540 VanDerWaalsContact O-N 3.1Å; P538-L541 HydrophobicContact CG-CD1 4.44Å; P538-L541 PolarHBondContact O-N 2.96Å; P538-E542 PolarHBondContact O-N 3.34Å; P538-A591 HydrophobicContact CG-CB 3.71Å; P538-L594 HydrophobicContact CB-CD1 3.62Å; P538-L594 HydrophobicContact CG-CD1 3.92Å | ||
| 539 | Q | 83.8 | Confident | 78.1 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.1 | -32.8 | -175.4 | -68.2 | -177.4 | -8 | 0 | 0 | 112.2 | L541 E542 | Q539-L541 PolarHBondContact O-N 2.83Å; Q539-E542 PolarHBondContact O-N 2.84Å |
| 540 | E | 82.6 | Confident | 79.8 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -26.3 | 178.2 | -59.6 | 85.4 | 169.3 | 0 | 0 | 113.1 | P538 | P538-E540 WeakPolarHBondContact CB-OE2 3.41Å; P538-E540 PolarHBondContact O-N 3.17Å; P538-E540 VanDerWaalsContact O-N 3.1Å |
| 541 | L | 85.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -96.3 | -24.1 | 179 | -53.7 | -179.2 | 0 | 0 | 0 | 112.9 | I513 I537 P538 Q539 K543 S544 V545 T587 M590 | I513-L541 HydrophobicContact CD1-CD2 3.57Å; I537-L541 HydrophobicContact CG2-CB 3.71Å; I537-L541 HydrophobicContact CG2-CD1 4.18Å; P538-L541 HydrophobicContact CG-CD1 4.44Å; P538-L541 PolarHBondContact O-N 2.96Å; Q539-L541 PolarHBondContact O-N 2.83Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 2.98Å; L541-S544 WeakPolarHBondContact O-CB 3.25Å; L541-S544 PolarHBondContact O-N 3.34Å; L541-V545 PolarHBondContact O-N 2.82Å; L541-V545 VanDerWaalsContact O-N 3.16Å; L541-T587 HydrophobicContact CD1-CG2 4.41Å; L541-M590 HydrophobicContact CD1-CE 3.28Å; L541-M590 HydrophobicContact CD2-CE 3.91Å; L541-M590 HydrophobicContact CG-CE 4.03Å |
| 542 | E | 86.9 | Confident | 83.5 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -45.9 | -171.4 | -174.2 | 179.4 | -173.2 | 0 | 0 | 111.9 | P538 Q539 S544 V545 Q546 | P538-E542 PolarHBondContact O-N 3.34Å; Q539-E542 PolarHBondContact O-N 2.84Å; E542-S544 VanDerWaalsContact C-N 3.3Å; E542-S544 PolarHBondContact O-N 3.34Å; E542-V545 PolarHBondContact O-N 3.3Å; E542-Q546 HydrophobicContact CG-CG 4.38Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.1Å; E542-Q546 PolarHBondContact OE1-NE2 2.96Å |
| 543 | K | 87.9 | Confident | 85.4 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57 | -41.8 | 177.7 | -171.5 | -178.3 | -177.2 | -171.7 | 0 | 112.3 | V509 E510 L541 M547 | V509-K543 VanDerWaalsContact CG1-CE 3.42Å; E510-K543 PolarHBondContact O-NZ 2.64Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 2.98Å; K543-M547 WeakPolarHBondContact O-CB 3.44Å; K543-M547 VanDerWaalsContact O-CG 3.22Å; K543-M547 WeakPolarHBondContact O-CG 3.4Å; K543-M547 PolarHBondContact O-N 3.3Å |
| 544 | S | 88.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | -179.1 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | I513 L541 E542 F548 | I513-S544 WeakPolarHBondContact CD1-OG 3.09Å; L541-S544 WeakPolarHBondContact O-CB 3.25Å; L541-S544 PolarHBondContact O-N 3.34Å; E542-S544 VanDerWaalsContact C-N 3.3Å; E542-S544 PolarHBondContact O-N 3.34Å; S544-F548 WeakPolarHBondContact O-CB 3.38Å; S544-F548 PolarHBondContact O-N 3.4Å; S544-F548 VanDerWaalsContact O-N 3.1Å |
| 545 | V | 88.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -50.7 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | F515 I537 L541 E542 M547 F548 E549 W563 | F515-V545 HydrophobicContact CZ-CG2 4.41Å; I537-V545 HydrophobicContact CD1-CG1 4.47Å; I537-V545 HydrophobicContact CD1-CG2 4.47Å; L541-V545 PolarHBondContact O-N 2.82Å; L541-V545 VanDerWaalsContact O-N 3.16Å; E542-V545 PolarHBondContact O-N 3.3Å; V545-M547 PolarHBondContact O-N 2.88Å; V545-F548 PolarHBondContact O-N 2.83Å; V545-E549 WeakPolarHBondContact O-CG 3.2Å; V545-E549 PolarHBondContact O-N 3.48Å; V545-W563 HydrophobicContact CB-CH2 4.44Å; V545-W563 HydrophobicContact CB-CZ2 4.36Å; V545-W563 HydrophobicContact CG1-CD2 4.42Å; V545-W563 HydrophobicContact CG1-CH2 4.12Å; V545-W563 HydrophobicContact CG1-CZ2 3.59Å; V545-W563 HydrophobicContact CG2-CH2 4.24Å; V545-W563 HydrophobicContact CG2-CZ3 4.4Å |
| 546 | Q | 88.8 | Confident | 88.3 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | -179.4 | -70.2 | 176.8 | 0.3 | 0 | 0 | 112.4 | E542 F548 E549 L550 | E542-Q546 HydrophobicContact CG-CG 4.38Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.1Å; E542-Q546 PolarHBondContact OE1-NE2 2.96Å; Q546-F548 VanDerWaalsContact C-N 3.28Å; Q546-F548 PolarHBondContact O-N 3.35Å; Q546-E549 PolarHBondContact O-N 3.39Å; Q546-L550 PolarHBondContact O-N 3Å |
| 547 | M | 88.4 | Confident | 88.6 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 178.4 | -70.6 | -58.3 | -65.1 | 0 | 0 | 111.9 | F498 F501 I502 V509 L511 K543 V545 F551 | F498-M547 HydrophobicContact CE2-CB 4.37Å; F498-M547 HydrophobicContact CZ-CB 4.35Å; F501-M547 HydrophobicContact CE1-CE 4.49Å; I502-M547 HydrophobicContact CD1-CB 4.12Å; I502-M547 HydrophobicContact CD1-CE 4.02Å; V509-M547 HydrophobicContact CG1-CE 4.5Å; V509-M547 HydrophobicContact CG2-CE 4.12Å; L511-M547 HydrophobicContact CD2-CG 4.43Å; K543-M547 WeakPolarHBondContact O-CB 3.44Å; K543-M547 VanDerWaalsContact O-CG 3.22Å; K543-M547 WeakPolarHBondContact O-CG 3.4Å; K543-M547 PolarHBondContact O-N 3.3Å; V545-M547 PolarHBondContact O-N 2.88Å; M547-F551 WeakPolarHBondContact O-CB 3.26Å; M547-F551 PolarHBondContact O-N 3.45Å |
| 548 | F | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 175 | -175.1 | -93.5 | 0 | 0 | 0 | 112.6 | L494 F498 F515 I517 V519 S544 V545 Q546 L550 F551 Y552 L561 W563 | L494-F548 HydrophobicContact CD2-CE2 4.49Å; L494-F548 HydrophobicContact CD2-CZ 3.97Å; F498-F548 HydrophobicContact CB-CD2 4.31Å; F498-F548 HydrophobicContact CB-CE2 4.38Å; F498-F548 HydrophobicContact CD1-CD2 4.15Å; F498-F548 HydrophobicContact CD2-CB 4.49Å; F498-F548 AromaticContact CD2-CD2 3.76Å; F498-F548 HydrophobicContact CD2-CD2 3.76Å; F498-F548 HydrophobicContact CE1-CD2 4.42Å; F498-F548 HydrophobicContact CE2-CB 3.97Å; F498-F548 HydrophobicContact CE2-CD2 4.06Å; F498-F548 AromaticContact CG-CD2 3.79Å; F498-F548 HydrophobicContact CG-CD2 3.79Å; F498-F548 HydrophobicContact CG-CE2 4.34Å; F498-F548 HydrophobicContact CZ-CB 4.08Å; F498-F548 HydrophobicContact CZ-CD2 4.36Å; F515-F548 HydrophobicContact CE1-CB 4.13Å; I517-F548 HydrophobicContact CB-CE2 4.29Å; I517-F548 HydrophobicContact CB-CZ 4.18Å; I517-F548 HydrophobicContact CD1-CB 3.86Å; I517-F548 HydrophobicContact CD1-CD1 3.29Å; I517-F548 HydrophobicContact CD1-CD2 3.47Å; I517-F548 VanDerWaalsContact CD1-CD2 3.47Å; I517-F548 HydrophobicContact CD1-CE1 3.57Å; I517-F548 HydrophobicContact CD1-CE2 3.72Å; I517-F548 HydrophobicContact CD1-CG 3.22Å; I517-F548 HydrophobicContact CD1-CZ 3.76Å; I517-F548 HydrophobicContact CG2-CE1 3.97Å; I517-F548 HydrophobicContact CG2-CE2 4.37Å; I517-F548 HydrophobicContact CG2-CZ 3.76Å; V519-F548 HydrophobicContact CG2-CE1 4.25Å; V519-F548 HydrophobicContact CG2-CZ 3.87Å; S544-F548 WeakPolarHBondContact O-CB 3.38Å; S544-F548 PolarHBondContact O-N 3.4Å; S544-F548 VanDerWaalsContact O-N 3.1Å; V545-F548 PolarHBondContact O-N 2.83Å; Q546-F548 VanDerWaalsContact C-N 3.28Å; Q546-F548 PolarHBondContact O-N 3.35Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 2.88Å; F548-F551 HydrophobicContact CD2-CD1 4.21Å; F548-F551 HydrophobicContact CE2-CD1 4.18Å; F548-F551 HydrophobicContact CE2-CE1 4.38Å; F548-F551 PolarHBondContact O-N 2.94Å; F548-Y552 HydrophobicContact CE1-CD2 4.13Å; F548-Y552 HydrophobicContact CZ-CD2 4.17Å; F548-Y552 WeakPolarHBondContact O-CB 3.33Å; F548-Y552 PolarHBondContact O-N 3.42Å; F548-L561 HydrophobicContact CD1-CD1 4.3Å; F548-L561 HydrophobicContact CE1-CD1 4.09Å; F548-W563 HydrophobicContact CD1-CH2 4.05Å; F548-W563 HydrophobicContact CD1-CZ2 4.26Å |
| 549 | E | 90.8 | Very high | 88.9 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.9 | -72.9 | -171.6 | 162.7 | 0 | 0 | 111.8 | V545 Q546 Y552 N553 L561 W563 | V545-E549 WeakPolarHBondContact O-CG 3.2Å; V545-E549 PolarHBondContact O-N 3.48Å; Q546-E549 PolarHBondContact O-N 3.39Å; E549-Y552 PolarHBondContact O-N 3.24Å; E549-N553 VanDerWaalsContact O-CB 3.29Å; E549-N553 WeakPolarHBondContact O-CB 3.13Å; E549-N553 PolarHBondContact O-N 3.12Å; E549-N553 PolarHBondContact O-ND2 3.16Å; E549-N553 VanDerWaalsContact O-ND2 3.15Å; E549-L561 HydrophobicContact CG-CD1 4.41Å; E549-W563 HydrophobicContact CG-CZ2 3.99Å; E549-W563 PolarHBondContact OE1-NE1 3.01Å |
| 550 | L | 90.3 | Very high | 89 | Confident | 76 Ų | 76 | 74 Ų | 74 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.7 | -178.5 | 141 | 0 | 0 | 0 | 111.3 | F501 Q546 F548 Y552 N553 Q554 | F501-L550 HydrophobicContact CE1-CD2 3.98Å; F501-L550 HydrophobicContact CZ-CD2 3.64Å; Q546-L550 PolarHBondContact O-N 3Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 2.88Å; L550-Y552 PolarHBondContact O-N 3.38Å; L550-N553 PolarHBondContact O-N 2.78Å; L550-Q554 VanDerWaalsContact O-CG 3.28Å; L550-Q554 WeakPolarHBondContact O-CG 3.43Å; L550-Q554 PolarHBondContact O-N 3.27Å; L550-Q554 VanDerWaalsContact O-N 3.11Å |
| 551 | F | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 174.5 | 164.6 | -102.9 | 0 | 0 | 0 | 111.9 | L494 K497 F498 F501 M547 F548 Q554 H555 | L494-F551 HydrophobicContact CD1-CE1 3.62Å; L494-F551 HydrophobicContact CD1-CZ 3.94Å; L494-F551 HydrophobicContact CG-CE1 4.09Å; K497-F551 HydrophobicContact CB-CE2 4.34Å; K497-F551 HydrophobicContact CB-CZ 3.78Å; F498-F551 HydrophobicContact CB-CD1 4Å; F498-F551 HydrophobicContact CB-CE1 3.8Å; F498-F551 HydrophobicContact CB-CZ 4.15Å; F498-F551 HydrophobicContact CD2-CB 3.84Å; F498-F551 AromaticContact CD2-CD1 3.73Å; F498-F551 HydrophobicContact CD2-CD1 3.73Å; F498-F551 HydrophobicContact CD2-CD2 4.41Å; F498-F551 HydrophobicContact CD2-CE1 4.4Å; F498-F551 AromaticContact CD2-CG 3.73Å; F498-F551 HydrophobicContact CD2-CG 3.73Å; F498-F551 HydrophobicContact CE2-CB 4.2Å; F498-F551 HydrophobicContact CG-CD1 4.3Å; F501-F551 HydrophobicContact CB-CD2 3.71Å; F501-F551 HydrophobicContact CB-CE2 3.97Å; F501-F551 HydrophobicContact CD1-CB 3.89Å; F501-F551 AromaticContact CD1-CD2 3.86Å; F501-F551 HydrophobicContact CD1-CD2 3.86Å; F501-F551 HydrophobicContact CD1-CG 4.24Å; F501-F551 HydrophobicContact CD2-CD2 4Å; F501-F551 HydrophobicContact CE1-CB 3.89Å; F501-F551 HydrophobicContact CE1-CD2 4.44Å; F501-F551 HydrophobicContact CG-CB 4.48Å; F501-F551 AromaticContact CG-CD2 3.6Å; F501-F551 HydrophobicContact CG-CD2 3.6Å; F501-F551 HydrophobicContact CG-CE2 4.31Å; F501-F551 HydrophobicContact CG-CG 4.42Å; F501-F551 HydrophobicContact CZ-CB 4.49Å; M547-F551 WeakPolarHBondContact O-CB 3.26Å; M547-F551 PolarHBondContact O-N 3.45Å; F548-F551 HydrophobicContact CD2-CD1 4.21Å; F548-F551 HydrophobicContact CE2-CD1 4.18Å; F548-F551 HydrophobicContact CE2-CE1 4.38Å; F548-F551 PolarHBondContact O-N 2.94Å; F551-Q554 PolarHBondContact O-N 3.37Å; F551-H555 AromaticContact CD2-CD2 3.5Å; F551-H555 AromaticContact CD2-NE2 3.87Å; F551-H555 AromaticContact CE2-CD2 3.23Å; F551-H555 WeakPolarHBondContact CE2-CD2 3.18Å; F551-H555 AromaticContact CE2-NE2 3.33Å; F551-H555 VanDerWaalsContact CE2-NE2 3.33Å; F551-H555 WeakPolarHBondContact CE2-NE2 3.48Å; F551-H555 AromaticContact CZ-CD2 3.86Å; F551-H555 PolarHBondContact O-CD2 3.25Å; F551-H555 PolarHBondContact O-N 3.06Å; F551-H555 VanDerWaalsContact O-N 3.13Å |
| 552 | Y | 92.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 4% | 0.043 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | -176.5 | -164.4 | -89.7 | 0 | 0 | 0 | 112.2 | L494 V519 F548 E549 L550 Q554 H555 F556 R559 L561 | L494-Y552 HydrophobicContact CD2-CD2 4Å; L494-Y552 HydrophobicContact CD2-CE2 3.83Å; V519-Y552 HydrophobicContact CG1-CE2 3.97Å; V519-Y552 HydrophobicContact CG2-CE2 4.19Å; F548-Y552 HydrophobicContact CE1-CD2 4.13Å; F548-Y552 HydrophobicContact CZ-CD2 4.17Å; F548-Y552 WeakPolarHBondContact O-CB 3.33Å; F548-Y552 PolarHBondContact O-N 3.42Å; E549-Y552 PolarHBondContact O-N 3.24Å; L550-Y552 PolarHBondContact O-N 3.38Å; Y552-Q554 VanDerWaalsContact C-N 3.31Å; Y552-Q554 PolarHBondContact O-N 2.87Å; Y552-H555 PolarHBondContact O-N 3.38Å; Y552-F556 HydrophobicContact CD1-CB 4.48Å; Y552-F556 HydrophobicContact CD1-CD2 4.06Å; Y552-F556 AromaticContact CD2-CD2 3.76Å; Y552-F556 HydrophobicContact CD2-CD2 3.76Å; Y552-F556 AromaticContact CD2-CE2 3.93Å; Y552-F556 HydrophobicContact CD2-CE2 3.93Å; Y552-F556 HydrophobicContact CE1-CB 4.14Å; Y552-F556 AromaticContact CE1-CD2 3.84Å; Y552-F556 HydrophobicContact CE1-CD2 3.84Å; Y552-F556 HydrophobicContact CE1-CG 4.27Å; Y552-F556 AromaticContact CE2-CD2 3.53Å; Y552-F556 HydrophobicContact CE2-CD2 3.53Å; Y552-F556 AromaticContact CE2-CE2 3.6Å; Y552-F556 HydrophobicContact CE2-CE2 3.6Å; Y552-F556 HydrophobicContact CG-CD2 4.02Å; Y552-F556 AromaticContact CZ-CD2 3.57Å; Y552-F556 PolarHBondContact O-N 2.87Å; Y552-R559 HydrophobicContact CE1-CB 4.05Å; Y552-L561 HydrophobicContact CD1-CD1 3.73Å; Y552-L561 HydrophobicContact CD1-CD2 3.92Å; Y552-L561 HydrophobicContact CD1-CG 3.75Å; Y552-L561 HydrophobicContact CD2-CD1 4.38Å; Y552-L561 HydrophobicContact CD2-CD2 4.42Å; Y552-L561 HydrophobicContact CE1-CD1 4.39Å; Y552-L561 HydrophobicContact CE1-CD2 3.71Å; Y552-L561 HydrophobicContact CE1-CG 3.97Å; Y552-L561 HydrophobicContact CE2-CD2 4.23Å; Y552-L561 HydrophobicContact CG-CD1 3.73Å; Y552-L561 HydrophobicContact CG-CD2 4.28Å; Y552-L561 HydrophobicContact CG-CG 4.22Å |
| 553 | N | 91.1 | Very high | 89.3 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.7 | -31.6 | 178.4 | -71.1 | -26.4 | 0 | 0 | 0 | 112.4 | E549 L550 | E549-N553 VanDerWaalsContact O-CB 3.29Å; E549-N553 WeakPolarHBondContact O-CB 3.13Å; E549-N553 PolarHBondContact O-N 3.12Å; E549-N553 PolarHBondContact O-ND2 3.16Å; E549-N553 VanDerWaalsContact O-ND2 3.15Å; L550-N553 PolarHBondContact O-N 2.78Å |
| 554 | Q | 90.1 | Very high | 89.2 | Confident | 125 Ų | 125 | 71 Ų | 71 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -71.4 | -37.5 | 173.9 | -73.3 | 177 | 0.3 | 0 | 0 | 112.2 | L550 F551 Y552 | L550-Q554 VanDerWaalsContact O-CG 3.28Å; L550-Q554 WeakPolarHBondContact O-CG 3.43Å; L550-Q554 PolarHBondContact O-N 3.27Å; L550-Q554 VanDerWaalsContact O-N 3.11Å; F551-Q554 PolarHBondContact O-N 3.37Å; Y552-Q554 VanDerWaalsContact C-N 3.31Å; Y552-Q554 PolarHBondContact O-N 2.87Å |
| 555 | H | 89.6 | Confident | 89 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -83.2 | -26.3 | -177.6 | -89 | -83.6 | 0 | 0 | 0 | 114.4 | F551 Y552 | F551-H555 AromaticContact CD2-CD2 3.5Å; F551-H555 AromaticContact CD2-NE2 3.87Å; F551-H555 AromaticContact CE2-CD2 3.23Å; F551-H555 WeakPolarHBondContact CE2-CD2 3.18Å; F551-H555 AromaticContact CE2-NE2 3.33Å; F551-H555 VanDerWaalsContact CE2-NE2 3.33Å; F551-H555 WeakPolarHBondContact CE2-NE2 3.48Å; F551-H555 AromaticContact CZ-CD2 3.86Å; F551-H555 PolarHBondContact O-CD2 3.25Å; F551-H555 PolarHBondContact O-N 3.06Å; F551-H555 VanDerWaalsContact O-N 3.13Å; Y552-H555 PolarHBondContact O-N 3.38Å |
| 556 | F | 91.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 74 Ų | 74 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | trans | -130.5 | 121 | -175.8 | -59.9 | -75.5 | 0 | 0 | 0 | 111.9 | L494 Y552 R559 | L494-F556 HydrophobicContact CD1-CE2 3.92Å; L494-F556 HydrophobicContact CD1-CZ 4.35Å; Y552-F556 HydrophobicContact CD1-CB 4.48Å; Y552-F556 HydrophobicContact CD1-CD2 4.06Å; Y552-F556 AromaticContact CD2-CD2 3.76Å; Y552-F556 HydrophobicContact CD2-CD2 3.76Å; Y552-F556 AromaticContact CD2-CE2 3.93Å; Y552-F556 HydrophobicContact CD2-CE2 3.93Å; Y552-F556 HydrophobicContact CE1-CB 4.14Å; Y552-F556 AromaticContact CE1-CD2 3.84Å; Y552-F556 HydrophobicContact CE1-CD2 3.84Å; Y552-F556 HydrophobicContact CE1-CG 4.27Å; Y552-F556 AromaticContact CE2-CD2 3.53Å; Y552-F556 HydrophobicContact CE2-CD2 3.53Å; Y552-F556 AromaticContact CE2-CE2 3.6Å; Y552-F556 HydrophobicContact CE2-CE2 3.6Å; Y552-F556 HydrophobicContact CG-CD2 4.02Å; Y552-F556 AromaticContact CZ-CD2 3.57Å; Y552-F556 PolarHBondContact O-N 2.87Å; F556-R559 HydrophobicContact CB-CG 4.38Å | ||
| 557 | S | 90.4 | Very high | 88.2 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 83% | 0.832 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -89.5 | 141.4 | 171.6 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | R559 | S557-R559 VanDerWaalsContact C-N 3.34Å; S557-R559 PolarHBondContact O-N 2.73Å |
| 558 | G | 86.8 | Confident | 88 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 97% | 0.969 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 76.3 | 10.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 559 | R | 89.6 | Confident | 87.8 | Confident | 141 Ų | 141 | 75.2 Ų | 75.2 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | trans | -106.7 | 147.1 | 174.1 | -61.5 | -173.2 | -175.6 | -179.8 | -0.8 | 110.5 | Y552 F556 S557 | Y552-R559 HydrophobicContact CE1-CB 4.05Å; F556-R559 HydrophobicContact CB-CG 4.38Å; S557-R559 VanDerWaalsContact C-N 3.34Å; S557-R559 PolarHBondContact O-N 2.73Å | ||
| 560 | K | 86 | Confident | 87.7 | Confident | 191 Ų | 191 | 72.5 Ų | 72.5 | 83% | 0.83 | 39% | 0.391 | S | S | * | . | trans | -122.8 | 129.6 | 174.5 | -174.1 | 177.9 | 179.6 | -178.8 | 0 | 109.4 | ||||
| 561 | L | 88.1 | Confident | 87.6 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | trans | -83.3 | 150.1 | 174.2 | -66.3 | 175 | 0 | 0 | 0 | 110.6 | F548 E549 Y552 | F548-L561 HydrophobicContact CD1-CD1 4.3Å; F548-L561 HydrophobicContact CE1-CD1 4.09Å; E549-L561 HydrophobicContact CG-CD1 4.41Å; Y552-L561 HydrophobicContact CD1-CD1 3.73Å; Y552-L561 HydrophobicContact CD1-CD2 3.92Å; Y552-L561 HydrophobicContact CD1-CG 3.75Å; Y552-L561 HydrophobicContact CD2-CD1 4.38Å; Y552-L561 HydrophobicContact CD2-CD2 4.42Å; Y552-L561 HydrophobicContact CE1-CD1 4.39Å; Y552-L561 HydrophobicContact CE1-CD2 3.71Å; Y552-L561 HydrophobicContact CE1-CG 3.97Å; Y552-L561 HydrophobicContact CE2-CD2 4.23Å; Y552-L561 HydrophobicContact CG-CD1 3.73Å; Y552-L561 HydrophobicContact CG-CD2 4.28Å; Y552-L561 HydrophobicContact CG-CG 4.22Å | ||
| 562 | T | 87.2 | Confident | 87.5 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | trans | -139.7 | 120 | 171.7 | -58.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 563 | W | 85.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 25% | 0.25 | 43% | 0.428 | C | S | . | . | trans | -81.7 | 135.9 | -175 | -65.1 | 93.8 | 0 | 0 | 0 | 111.4 | F515 I517 V545 F548 E549 | F515-W563 HydrophobicContact CZ-CH2 4.38Å; I517-W563 HydrophobicContact CD1-CH2 3.48Å; I517-W563 VanDerWaalsContact CD1-CH2 3.48Å; I517-W563 HydrophobicContact CD1-CZ3 3.83Å; I517-W563 HydrophobicContact CG1-CH2 4.33Å; I517-W563 HydrophobicContact CG1-CZ3 4.18Å; V545-W563 HydrophobicContact CB-CH2 4.44Å; V545-W563 HydrophobicContact CB-CZ2 4.36Å; V545-W563 HydrophobicContact CG1-CD2 4.42Å; V545-W563 HydrophobicContact CG1-CH2 4.12Å; V545-W563 HydrophobicContact CG1-CZ2 3.59Å; V545-W563 HydrophobicContact CG2-CH2 4.24Å; V545-W563 HydrophobicContact CG2-CZ3 4.4Å; F548-W563 HydrophobicContact CD1-CH2 4.05Å; F548-W563 HydrophobicContact CD1-CZ2 4.26Å; E549-W563 HydrophobicContact CG-CZ2 3.99Å; E549-W563 PolarHBondContact OE1-NE1 3.01Å | ||
| 564 | L | 86.3 | Confident | 87.1 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | trans | -113.8 | 74.9 | -179.8 | -59.1 | -179.3 | 0 | 0 | 0 | 110.3 | L527 Y566 L567 | L527-L564 HydrophobicContact CB-CD1 4.36Å; L527-L564 HydrophobicContact CD1-CD1 3.76Å; L564-Y566 VanDerWaalsContact C-N 3.26Å; L564-Y566 HydrophobicContact CB-CD1 4.39Å; L564-Y566 HydrophobicContact CB-CE1 3.97Å; L564-Y566 HydrophobicContact CD2-CE1 4.11Å; L564-Y566 HydrophobicContact CG-CE1 4.47Å; L564-Y566 PolarHBondContact O-N 3.26Å; L564-L567 HydrophobicContact CB-CD1 4.15Å; L564-L567 HydrophobicContact CD1-CD1 4Å; L564-L567 PolarHBondContact O-N 3.36Å; L564-L567 VanDerWaalsContact O-N 3.16Å | ||
| 565 | H | 83.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 76.3 Ų | 76.3 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -60.3 | -29.7 | -172 | -59.1 | -59.9 | 0 | 0 | 0 | 114.5 | F535 I537 L567 C568 Y588 | F535-H565 HydrophobicContact CD1-CB 4.03Å; F535-H565 AromaticContact CD1-CD2 3.92Å; F535-H565 AromaticContact CD1-CG 3.82Å; F535-H565 HydrophobicContact CE1-CB 4.41Å; I537-H565 VanDerWaalsContact CD1-CE1 3.42Å; I537-H565 WeakPolarHBondContact CD1-CE1 3.4Å; H565-L567 PolarHBondContact O-N 3.44Å; H565-C568 WeakPolarHBondContact O-CB 3.47Å; H565-C568 PolarHBondContact O-N 3.43Å; H565-C568 VanDerWaalsContact O-N 3.13Å; H565-Y588 HydrophobicContact CB-CE1 4.11Å |
| 566 | Y | 79.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67 | -17.5 | 179.8 | 74 | -86.1 | 0 | 0 | 0 | 114.2 | T528 V530 L564 | T528-Y566 PolarHBondContact O-OH 3Å; V530-Y566 HydrophobicContact CG2-CD1 4.38Å; V530-Y566 HydrophobicContact CG2-CE1 4.13Å; L564-Y566 VanDerWaalsContact C-N 3.26Å; L564-Y566 HydrophobicContact CB-CD1 4.39Å; L564-Y566 HydrophobicContact CB-CE1 3.97Å; L564-Y566 HydrophobicContact CD2-CE1 4.11Å; L564-Y566 HydrophobicContact CG-CE1 4.47Å; L564-Y566 PolarHBondContact O-N 3.26Å |
| 567 | L | 81.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -95.2 | -10.9 | 176.2 | -64.1 | 171.5 | 0 | 0 | 0 | 112.8 | I452 L527 L564 H565 | I452-L567 HydrophobicContact CD1-CD1 4.12Å; I452-L567 HydrophobicContact CG2-CB 4.43Å; L527-L567 HydrophobicContact CD1-CD1 3.82Å; L527-L567 HydrophobicContact CD2-CD1 3.76Å; L527-L567 HydrophobicContact CG-CD1 4.33Å; L564-L567 HydrophobicContact CB-CD1 4.15Å; L564-L567 HydrophobicContact CD1-CD1 4Å; L564-L567 PolarHBondContact O-N 3.36Å; L564-L567 VanDerWaalsContact O-N 3.16Å; H565-L567 PolarHBondContact O-N 3.44Å |
| 568 | C | 85.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | trans | -79 | 145.8 | -174.6 | -65 | 0 | 0 | 0 | 0 | 111.7 | H565 T586 T587 | H565-C568 WeakPolarHBondContact O-CB 3.47Å; H565-C568 PolarHBondContact O-N 3.43Å; H565-C568 VanDerWaalsContact O-N 3.13Å; C568-T586 WeakPolarHBondContact O-CA 3.33Å; C568-T587 WeakPolarHBondContact CB-OG1 3.29Å; C568-T587 PolarHBondContact O-N 3.13Å; C568-T587 PolarHBondContact O-OG1 3.1Å | ||
| 569 | T | 86.8 | Confident | 85.4 | Confident | 82 Ų | 82 | 75 Ų | 75 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.1 | 178.4 | 58 | 0 | 0 | 0 | 0 | 110.5 | V585 | T569-V585 CarbonylContact C-O 3.57Å; T569-V585 VanDerWaalsContact CA-O 3.28Å; T569-V585 WeakPolarHBondContact CA-O 3.28Å |
| 570 | G | 87.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 159.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M584 V585 | G570-M584 WeakPolarHBondContact O-CA 3.06Å; G570-V585 PolarHBondContact N-O 2.75Å; G570-V585 WeakPolarHBondContact O-CG2 3.12Å; G570-V585 PolarHBondContact O-N 2.92Å |
| 571 | E | 89.5 | Confident | 85.3 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.2 | 171.6 | -64.5 | -166.7 | -176.1 | 0 | 0 | 109.2 | V582 M584 K681 | E571-V582 HydrophobicContact CB-CG1 4.18Å; E571-M584 HydrophobicContact CG-CG 4.07Å; E571-M584 HydrophobicContact CG-SD 3.66Å; E571-K681 WeakPolarHBondContact OE1-CE 3.36Å; E571-K681 IonicContact OE1-NZ 3.76Å; E571-K681 PolarHBondContact OE1-NZ 2.89Å; E571-K681 IonicContact OE2-NZ 3.57Å; E571-K681 PolarHBondContact OE2-NZ 2.93Å |
| 572 | V | 88.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.3 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | V582 A583 V585 M590 | V572-V582 WeakPolarHBondContact O-CA 3.26Å; V572-A583 PolarHBondContact N-O 2.93Å; V572-A583 PolarHBondContact O-N 3.32Å; V572-V585 HydrophobicContact CB-CG2 4.34Å; V572-V585 HydrophobicContact CG2-CG2 3.55Å; V572-M590 HydrophobicContact CG2-CB 4.34Å; V572-M590 HydrophobicContact CG2-CG 3.65Å; V572-M590 HydrophobicContact CG2-SD 4.07Å |
| 573 | K | 89.6 | Confident | 85.4 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.1 | 175.5 | -172.2 | -178.3 | 175.7 | -175.2 | 0 | 109.5 | N575 V582 | K573-N575 WeakPolarHBondContact CD-OD1 3.09Å; K573-N575 WeakPolarHBondContact CE-OD1 3.39Å; K573-N575 WeakPolarHBondContact CG-OD1 3.32Å; K573-N575 PolarHBondContact O-N 3.39Å; K573-V582 HydrophobicContact CG-CG2 4.23Å |
| 574 | M | 86.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110 | 176 | -67.2 | 178.1 | -100.4 | 0 | 0 | 109.6 | Y576 L577 Y581 A583 M630 F675 F682 | M574-Y576 HydrophobicContact CB-CD1 4.27Å; M574-Y576 HydrophobicContact CB-CE1 3.89Å; M574-Y576 HydrophobicContact CG-CE1 3.88Å; M574-Y576 HydrophobicContact SD-CE1 4.22Å; M574-L577 HydrophobicContact CB-CD1 4.3Å; M574-L577 HydrophobicContact SD-CD1 3.94Å; M574-Y581 PolarHBondContact N-O 3.46Å; M574-A583 HydrophobicContact CE-CB 3.86Å; M574-M630 HydrophobicContact CE-CE 3.65Å; M574-M630 HydrophobicContact CE-SD 4.37Å; M574-M630 HydrophobicContact SD-CE 3.6Å; M574-M630 VanDerWaalsContact SD-CE 3.6Å; M574-F675 HydrophobicContact CE-CE1 4.45Å; M574-F682 HydrophobicContact CE-CE1 3.93Å; M574-F682 HydrophobicContact CE-CZ 3.57Å |
| 575 | N | 85.3 | Confident | 85.6 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 65% | 0.647 | 29% | 0.289 | S | S | * | . | trans | -97.4 | -7.7 | -178.8 | -64.3 | -34.3 | 0 | 0 | 0 | 113.6 | K573 | K573-N575 WeakPolarHBondContact CD-OD1 3.09Å; K573-N575 WeakPolarHBondContact CE-OD1 3.39Å; K573-N575 WeakPolarHBondContact CG-OD1 3.32Å; K573-N575 PolarHBondContact O-N 3.39Å | ||
| 576 | Y | 81.8 | Confident | 85.8 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -86.4 | -9.9 | -176 | 68 | -92.4 | 0 | 0 | 0 | 114 | M574 L671 N672 M673 | M574-Y576 HydrophobicContact CB-CD1 4.27Å; M574-Y576 HydrophobicContact CB-CE1 3.89Å; M574-Y576 HydrophobicContact CG-CE1 3.88Å; M574-Y576 HydrophobicContact SD-CE1 4.22Å; Y576-L671 HydrophobicContact CE1-CD1 4.38Å; Y576-L671 HydrophobicContact CE1-CD2 4.26Å; Y576-N672 WeakPolarHBondContact CE2-O 3.37Å; Y576-N672 PolarHBondContact OH-O 3.48Å; Y576-M673 HydrophobicContact CD2-SD 3.47Å; Y576-M673 WeakPolarHBondContact CD2-SD 3.23Å; Y576-M673 HydrophobicContact CE2-SD 3.82Å; Y576-M673 HydrophobicContact CG-SD 4.44Å |
| 577 | L | 83.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -95.4 | 158 | -179.5 | -64.9 | 169.1 | 0 | 0 | 0 | 111.2 | M574 K579 Y581 M673 F675 | M574-L577 HydrophobicContact CB-CD1 4.3Å; M574-L577 HydrophobicContact SD-CD1 3.94Å; L577-K579 PolarHBondContact O-N 3.22Å; L577-K579 VanDerWaalsContact O-N 3.13Å; L577-Y581 HydrophobicContact CB-CD2 4.35Å; L577-Y581 HydrophobicContact CD1-CD2 3.63Å; L577-Y581 HydrophobicContact CD1-CE2 4.22Å; L577-M673 VanDerWaalsContact CD2-O 3.3Å; L577-M673 WeakPolarHBondContact CD2-O 3.38Å; L577-F675 HydrophobicContact CD1-CB 3.95Å; L577-F675 HydrophobicContact CD1-CD1 3.85Å; L577-F675 HydrophobicContact CD1-CG 4.36Å; L577-F675 HydrophobicContact CD2-CB 4.26Å |
| 578 | S | 78.8 | Confident | 86.3 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 88% | 0.881 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -59.5 | -25.1 | 178.2 | 61.3 | 0 | 0 | 0 | 0 | 114 | ||
| 579 | K | 82.6 | Confident | 86.4 | Confident | 128 Ų | 128 | 48.6 Ų | 48.6 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -117.8 | 137.3 | 171.5 | -67.6 | -178.7 | -178.7 | 177.6 | 0 | 109.6 | L577 Y581 | L577-K579 PolarHBondContact O-N 3.22Å; L577-K579 VanDerWaalsContact O-N 3.13Å; K579-Y581 HydrophobicContact CB-CD2 4.45Å; K579-Y581 HydrophobicContact CB-CE2 4.02Å; K579-Y581 WeakPolarHBondContact O-CD2 3.36Å; K579-Y581 PolarHBondContact O-N 2.88Å |
| 580 | P | 83.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | trans | -73.9 | 99.4 | 177.4 | 29.6 | -33.3 | 0 | 0 | 0 | 109.9 | T680 | P580-T680 WeakPolarHBondContact O-CG2 3.33Š| ||
| 581 | Y | 88.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.3 | 175.4 | -71.9 | -69.7 | 0 | 0 | 0 | 111 | M574 L577 K579 F675 S677 T680 F682 | M574-Y581 PolarHBondContact N-O 3.46Å; L577-Y581 HydrophobicContact CB-CD2 4.35Å; L577-Y581 HydrophobicContact CD1-CD2 3.63Å; L577-Y581 HydrophobicContact CD1-CE2 4.22Å; K579-Y581 HydrophobicContact CB-CD2 4.45Å; K579-Y581 HydrophobicContact CB-CE2 4.02Å; K579-Y581 WeakPolarHBondContact O-CD2 3.36Å; K579-Y581 PolarHBondContact O-N 2.88Å; Y581-F675 HydrophobicContact CD1-CE1 4.49Å; Y581-F675 AromaticContact CD2-CD1 4Å; Y581-F675 HydrophobicContact CD2-CD1 4Å; Y581-F675 HydrophobicContact CD2-CE1 4.2Å; Y581-F675 HydrophobicContact CE2-CD1 4.12Å; Y581-F675 HydrophobicContact CE2-CE1 4.41Å; Y581-F675 HydrophobicContact CG-CD1 4.47Å; Y581-F675 HydrophobicContact CG-CE1 4.23Å; Y581-S677 PolarHBondContact OH-N 2.99Å; Y581-S677 VanDerWaalsContact OH-N 3.13Å; Y581-S677 PolarHBondContact OH-O 3.41Å; Y581-T680 CarbonylContact C-O 3.52Å; Y581-T680 WeakPolarHBondContact CA-O 3.15Å; Y581-F682 HydrophobicContact CD1-CE1 4.19Å; Y581-F682 HydrophobicContact CG-CE1 4.37Å |
| 582 | V | 89.4 | Confident | 86.6 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.8 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | E571 V572 K573 T680 K681 F682 | E571-V582 HydrophobicContact CB-CG1 4.18Å; V572-V582 WeakPolarHBondContact O-CA 3.26Å; K573-V582 HydrophobicContact CG-CG2 4.23Å; V582-T680 PolarHBondContact N-O 3.03Å; V582-K681 HydrophobicContact CB-CB 4.41Å; V582-K681 HydrophobicContact CB-CG 4.25Å; V582-K681 HydrophobicContact CG1-CD 4.43Å; V582-K681 HydrophobicContact CG1-CG 4.35Å; V582-K681 VanDerWaalsContact O-CA 3.32Å; V582-K681 WeakPolarHBondContact O-CA 3.22Å; V582-F682 PolarHBondContact O-N 3.26Å; V582-F682 VanDerWaalsContact O-N 3.09Å |
| 583 | A | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V572 M574 V585 M630 F682 I684 | V572-A583 PolarHBondContact N-O 2.93Å; V572-A583 PolarHBondContact O-N 3.32Å; M574-A583 HydrophobicContact CE-CB 3.86Å; A583-V585 HydrophobicContact CB-CG1 4.17Å; A583-M630 HydrophobicContact CB-CE 4.36Å; A583-F682 HydrophobicContact CB-CE2 4.16Å; A583-F682 HydrophobicContact CB-CZ 4.1Å; A583-I684 HydrophobicContact CB-CD1 3.67Å |
| 584 | M | 88.1 | Confident | 86.5 | Confident | 35 Ų | 35 | 35 Ų | 35 | 17% | 0.172 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 111.4 | 166.6 | -76.8 | -105.1 | -70.8 | 0 | 0 | 109 | G570 E571 F682 K683 I684 | G570-M584 WeakPolarHBondContact O-CA 3.06Å; E571-M584 HydrophobicContact CG-CG 4.07Å; E571-M584 HydrophobicContact CG-SD 3.66Å; M584-F682 PolarHBondContact N-O 3.33Å; M584-K683 HydrophobicContact CB-CB 4.37Å; M584-K683 HydrophobicContact CB-CG 3.87Å; M584-K683 HydrophobicContact CE-CD 4.13Å; M584-K683 VanDerWaalsContact CE-CE 3.43Å; M584-K683 HydrophobicContact CE-CG 4.25Å; M584-K683 HydrophobicContact CG-CG 4.34Å; M584-I684 PolarHBondContact O-N 2.87Å; M584-I684 VanDerWaalsContact O-N 3.14Å |
| 585 | V | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 159.5 | -172.9 | -72 | 0 | 0 | 0 | 0 | 111.1 | T569 G570 V572 A583 Q589 M590 L593 I684 | T569-V585 CarbonylContact C-O 3.57Å; T569-V585 VanDerWaalsContact CA-O 3.28Å; T569-V585 WeakPolarHBondContact CA-O 3.28Å; G570-V585 PolarHBondContact N-O 2.75Å; G570-V585 WeakPolarHBondContact O-CG2 3.12Å; G570-V585 PolarHBondContact O-N 2.92Å; V572-V585 HydrophobicContact CB-CG2 4.34Å; V572-V585 HydrophobicContact CG2-CG2 3.55Å; A583-V585 HydrophobicContact CB-CG1 4.17Å; V585-Q589 HydrophobicContact CB-CB 3.8Å; V585-Q589 HydrophobicContact CG1-CB 4.15Å; V585-M590 HydrophobicContact CG2-CB 3.82Å; V585-M590 HydrophobicContact CG2-CG 4.35Å; V585-L593 HydrophobicContact CG1-CD1 3.91Å; V585-I684 HydrophobicContact CG1-CD1 3.41Å; V585-I684 VanDerWaalsContact CG1-CD1 3.41Å |
| 586 | T | 86.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 162.4 | 164.2 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | C568 Y588 Q589 M590 T685 M688 | C568-T586 WeakPolarHBondContact O-CA 3.33Å; T586-Y588 PolarHBondContact O-N 3.33Å; T586-Q589 PolarHBondContact O-N 3.29Å; T586-Q589 WeakPolarHBondContact OG1-CB 3.09Å; T586-Q589 VanDerWaalsContact OG1-CG 3.25Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.16Å; T586-Q589 PolarHBondContact OG1-N 2.96Å; T586-Q589 PolarHBondContact OG1-OE1 2.97Å; T586-M590 WeakPolarHBondContact O-CB 3.43Å; T586-M590 PolarHBondContact O-N 3.47Å; T586-T685 HydrophobicContact CG2-CG2 3.44Å; T586-T685 VanDerWaalsContact CG2-CG2 3.44Å; T586-M688 HydrophobicContact CG2-SD 4.18Å |
| 587 | T | 86.1 | Confident | 86.9 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | 175.9 | -64 | 0 | 0 | 0 | 0 | 112.9 | F535 L541 C568 M590 A591 | F535-T587 HydrophobicContact CE1-CG2 3.74Å; F535-T587 HydrophobicContact CZ-CG2 3.88Å; L541-T587 HydrophobicContact CD1-CG2 4.41Å; C568-T587 WeakPolarHBondContact CB-OG1 3.29Å; C568-T587 PolarHBondContact O-N 3.13Å; C568-T587 PolarHBondContact O-OG1 3.1Å; T587-M590 HydrophobicContact CG2-CE 4.49Å; T587-M590 WeakPolarHBondContact O-CB 3.42Å; T587-M590 PolarHBondContact O-N 3.49Å; T587-A591 PolarHBondContact O-N 3.03Å |
| 588 | Y | 86.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 173.5 | -65.6 | -25.2 | 0 | 0 | 0 | 112.5 | S533 F535 H565 T586 M590 A591 V592 M613 | S533-Y588 PolarHBondContact OG-OH 3.47Å; S533-Y588 VanDerWaalsContact OG-OH 3.11Å; F535-Y588 HydrophobicContact CB-CE1 4.19Å; F535-Y588 HydrophobicContact CD1-CE1 4.22Å; F535-Y588 AromaticContact CD2-CD1 3.73Å; F535-Y588 HydrophobicContact CD2-CD1 3.73Å; F535-Y588 AromaticContact CD2-CE1 3.73Å; F535-Y588 HydrophobicContact CD2-CE1 3.73Å; F535-Y588 HydrophobicContact CE1-CD1 4.49Å; F535-Y588 AromaticContact CE2-CD1 3.65Å; F535-Y588 HydrophobicContact CE2-CD1 3.65Å; F535-Y588 HydrophobicContact CE2-CE1 4.11Å; F535-Y588 HydrophobicContact CG-CD1 4.18Å; F535-Y588 AromaticContact CG-CE1 3.77Å; F535-Y588 HydrophobicContact CG-CE1 3.77Å; F535-Y588 HydrophobicContact CZ-CD1 4.04Å; F535-Y588 HydrophobicContact CZ-CE1 4.49Å; H565-Y588 HydrophobicContact CB-CE1 4.11Å; T586-Y588 PolarHBondContact O-N 3.33Å; Y588-M590 VanDerWaalsContact C-N 3.28Å; Y588-M590 PolarHBondContact O-N 2.9Å; Y588-A591 PolarHBondContact O-N 3.16Å; Y588-V592 WeakPolarHBondContact O-CG2 3.28Å; Y588-V592 PolarHBondContact O-N 2.79Å; Y588-M613 HydrophobicContact CD1-CE 3.87Å; Y588-M613 HydrophobicContact CD1-SD 3.96Å; Y588-M613 HydrophobicContact CD2-CE 3.74Å; Y588-M613 HydrophobicContact CE1-CE 4.44Å; Y588-M613 HydrophobicContact CE2-CE 4.3Å; Y588-M613 HydrophobicContact CG-CE 3.47Å; Y588-M613 VanDerWaalsContact CG-CE 3.47Å; Y588-M613 HydrophobicContact CG-SD 4.03Å |
| 589 | Q | 87.9 | Confident | 87 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 173.6 | -73.1 | 168.6 | -21.6 | 0 | 0 | 111.6 | V585 T586 V592 L593 T621 S624 L625 | V585-Q589 HydrophobicContact CB-CB 3.8Å; V585-Q589 HydrophobicContact CG1-CB 4.15Å; T586-Q589 PolarHBondContact O-N 3.29Å; T586-Q589 WeakPolarHBondContact OG1-CB 3.09Å; T586-Q589 VanDerWaalsContact OG1-CG 3.25Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.16Å; T586-Q589 PolarHBondContact OG1-N 2.96Å; T586-Q589 PolarHBondContact OG1-OE1 2.97Å; Q589-V592 PolarHBondContact O-N 3.01Å; Q589-L593 VanDerWaalsContact O-CG 3.3Å; Q589-L593 WeakPolarHBondContact O-CG 3.45Å; Q589-L593 PolarHBondContact O-N 3.06Å; Q589-T621 HydrophobicContact CB-CG2 4.3Å; Q589-T621 HydrophobicContact CG-CG2 3.7Å; Q589-S624 PolarHBondContact NE2-OG 3.31Å; Q589-S624 VanDerWaalsContact NE2-OG 3.15Å; Q589-L625 HydrophobicContact CB-CD2 4.34Å; Q589-L625 HydrophobicContact CG-CD2 4.29Å; Q589-L625 HydrophobicContact CG-CG 4.39Å |
| 590 | M | 89.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.9 | -171.2 | 166.5 | 70 | 0 | 0 | 112 | L541 V572 V585 T586 T587 Y588 V592 L593 L594 | L541-M590 HydrophobicContact CD1-CE 3.28Å; L541-M590 HydrophobicContact CD2-CE 3.91Å; L541-M590 HydrophobicContact CG-CE 4.03Å; V572-M590 HydrophobicContact CG2-CB 4.34Å; V572-M590 HydrophobicContact CG2-CG 3.65Å; V572-M590 HydrophobicContact CG2-SD 4.07Å; V585-M590 HydrophobicContact CG2-CB 3.82Å; V585-M590 HydrophobicContact CG2-CG 4.35Å; T586-M590 WeakPolarHBondContact O-CB 3.43Å; T586-M590 PolarHBondContact O-N 3.47Å; T587-M590 HydrophobicContact CG2-CE 4.49Å; T587-M590 WeakPolarHBondContact O-CB 3.42Å; T587-M590 PolarHBondContact O-N 3.49Å; Y588-M590 VanDerWaalsContact C-N 3.28Å; Y588-M590 PolarHBondContact O-N 2.9Å; M590-V592 VanDerWaalsContact C-N 3.34Å; M590-V592 PolarHBondContact O-N 2.99Å; M590-L593 PolarHBondContact O-N 3.27Å; M590-L594 HydrophobicContact CG-CD1 3.92Å; M590-L594 HydrophobicContact CG-CG 4.3Å; M590-L594 WeakPolarHBondContact O-CB 3.43Å; M590-L594 VanDerWaalsContact O-CG 3.28Å; M590-L594 WeakPolarHBondContact O-CG 3.38Å; M590-L594 PolarHBondContact O-N 3.2Å |
| 591 | A | 88.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F535 P538 T587 Y588 L594 A595 T611 | F535-A591 HydrophobicContact CE2-CB 3.71Å; F535-A591 HydrophobicContact CZ-CB 3.68Å; P538-A591 HydrophobicContact CG-CB 3.71Å; T587-A591 PolarHBondContact O-N 3.03Å; Y588-A591 PolarHBondContact O-N 3.16Å; A591-L594 PolarHBondContact O-N 3.11Å; A591-A595 PolarHBondContact O-N 2.7Å; A591-T611 HydrophobicContact CB-CG2 4.06Å |
| 592 | V | 89.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | Y588 Q589 M590 A595 F596 L607 L618 T621 I622 L625 L631 | Y588-V592 WeakPolarHBondContact O-CG2 3.28Å; Y588-V592 PolarHBondContact O-N 2.79Å; Q589-V592 PolarHBondContact O-N 3.01Å; M590-V592 VanDerWaalsContact C-N 3.34Å; M590-V592 PolarHBondContact O-N 2.99Å; V592-A595 WeakPolarHBondContact O-CB 3.41Å; V592-A595 PolarHBondContact O-N 3Å; V592-F596 HydrophobicContact CG1-CE2 4.09Å; V592-F596 WeakPolarHBondContact O-CD2 3.47Å; V592-F596 VanDerWaalsContact O-CE2 3.28Å; V592-F596 WeakPolarHBondContact O-CE2 3.29Å; V592-L607 HydrophobicContact CG1-CD1 4.25Å; V592-L607 HydrophobicContact CG1-CD2 4.3Å; V592-L618 HydrophobicContact CG2-CD1 3.95Å; V592-T621 HydrophobicContact CG2-CG2 4.07Å; V592-I622 HydrophobicContact CG1-CG1 4.47Å; V592-L625 HydrophobicContact CB-CD1 4.22Å; V592-L625 HydrophobicContact CG1-CD1 3.88Å; V592-L631 HydrophobicContact CG1-CD1 4.35Å |
| 593 | L | 89 | Confident | 86.8 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | -180 | -71.1 | 173.4 | 0 | 0 | 0 | 113.1 | V585 Q589 M590 A595 F596 L625 M630 | V585-L593 HydrophobicContact CG1-CD1 3.91Å; Q589-L593 VanDerWaalsContact O-CG 3.3Å; Q589-L593 WeakPolarHBondContact O-CG 3.45Å; Q589-L593 PolarHBondContact O-N 3.06Å; M590-L593 PolarHBondContact O-N 3.27Å; L593-A595 VanDerWaalsContact C-N 3.28Å; L593-A595 PolarHBondContact O-N 3.38Å; L593-F596 PolarHBondContact O-N 3.23Å; L593-L625 HydrophobicContact CD1-CD2 4.29Å; L593-L625 HydrophobicContact CD2-CD1 4.29Å; L593-L625 HydrophobicContact CD2-CD2 4.41Å; L593-L625 HydrophobicContact CG-CD1 4.28Å; L593-L625 HydrophobicContact CG-CD2 4.42Å; L593-M630 HydrophobicContact CD1-CE 3.91Å; L593-M630 HydrophobicContact CD2-CE 3.98Å |
| 594 | L | 88.6 | Confident | 86.8 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -29.4 | 178.7 | -74.2 | 170.2 | 0 | 0 | 0 | 112.3 | P538 M590 A591 F596 N597 | P538-L594 HydrophobicContact CB-CD1 3.62Å; P538-L594 HydrophobicContact CG-CD1 3.92Å; M590-L594 HydrophobicContact CG-CD1 3.92Å; M590-L594 HydrophobicContact CG-CG 4.3Å; M590-L594 WeakPolarHBondContact O-CB 3.43Å; M590-L594 VanDerWaalsContact O-CG 3.28Å; M590-L594 WeakPolarHBondContact O-CG 3.38Å; M590-L594 PolarHBondContact O-N 3.2Å; A591-L594 PolarHBondContact O-N 3.11Å; L594-F596 PolarHBondContact O-N 3.25Å; L594-N597 WeakPolarHBondContact CD2-ND2 3.36Å; L594-N597 WeakPolarHBondContact O-CB 3.28Å; L594-N597 PolarHBondContact O-N 3.1Å |
| 595 | A | 86.6 | Confident | 86.7 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 22% | 0.223 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -30.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A591 V592 L593 N597 L607 | A591-A595 PolarHBondContact O-N 2.7Å; V592-A595 WeakPolarHBondContact O-CB 3.41Å; V592-A595 PolarHBondContact O-N 3Å; L593-A595 VanDerWaalsContact C-N 3.28Å; L593-A595 PolarHBondContact O-N 3.38Å; A595-N597 VanDerWaalsContact C-N 3.29Å; A595-N597 PolarHBondContact O-N 3.33Å; A595-L607 HydrophobicContact CB-CD2 3.68Å |
| 596 | F | 88.1 | Confident | 86.6 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.4 | 179.6 | -62.8 | -84.5 | 0 | 0 | 0 | 114.6 | V592 L593 L594 N598 S599 V602 L607 L631 F669 L671 | V592-F596 HydrophobicContact CG1-CE2 4.09Å; V592-F596 WeakPolarHBondContact O-CD2 3.47Å; V592-F596 VanDerWaalsContact O-CE2 3.28Å; V592-F596 WeakPolarHBondContact O-CE2 3.29Å; L593-F596 PolarHBondContact O-N 3.23Å; L594-F596 PolarHBondContact O-N 3.25Å; F596-N598 VanDerWaalsContact C-N 3.27Å; F596-N598 PolarHBondContact O-N 2.9Å; F596-S599 CarbonylContact C-O 3.6Å; F596-S599 VanDerWaalsContact CA-O 3.25Å; F596-S599 WeakPolarHBondContact CA-O 3.49Å; F596-V602 HydrophobicContact CD1-CB 4.41Å; F596-V602 HydrophobicContact CD1-CG2 3.71Å; F596-V602 HydrophobicContact CE1-CB 3.84Å; F596-V602 HydrophobicContact CE1-CG2 3.65Å; F596-V602 HydrophobicContact CG-CG2 4.37Å; F596-V602 HydrophobicContact CZ-CB 4.16Å; F596-V602 HydrophobicContact CZ-CG2 4.26Å; F596-L607 HydrophobicContact CE2-CD2 4.48Å; F596-L607 HydrophobicContact CZ-CD1 4.44Å; F596-L631 HydrophobicContact CD2-CD2 4.15Å; F596-L631 HydrophobicContact CE1-CD2 4.4Å; F596-L631 HydrophobicContact CE2-CD1 4.36Å; F596-L631 HydrophobicContact CE2-CD2 3.65Å; F596-L631 HydrophobicContact CZ-CD2 3.79Å; F596-F669 HydrophobicContact CE1-CB 4.31Å; F596-F669 WeakPolarHBondContact CE1-O 3.44Å; F596-F669 HydrophobicContact CZ-CB 3.94Å; F596-L671 HydrophobicContact CB-CD1 3.58Å; F596-L671 HydrophobicContact CB-CD2 4.24Å; F596-L671 HydrophobicContact CB-CG 3.74Å; F596-L671 HydrophobicContact CD1-CG 4.21Å; F596-L671 HydrophobicContact CG-CD1 4.36Å; F596-L671 HydrophobicContact CG-CD2 4.39Å; F596-L671 HydrophobicContact CG-CG 3.98Å |
| 597 | N | 86.4 | Confident | 86.7 | Confident | 111 Ų | 111 | 45 Ų | 45 | 59% | 0.594 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -30.1 | 174 | -73.6 | -23.8 | 0 | 0 | 0 | 112.1 | L594 A595 | L594-N597 WeakPolarHBondContact CD2-ND2 3.36Å; L594-N597 WeakPolarHBondContact O-CB 3.28Å; L594-N597 PolarHBondContact O-N 3.1Å; A595-N597 VanDerWaalsContact C-N 3.29Å; A595-N597 PolarHBondContact O-N 3.33Å |
| 598 | N | 82.9 | Confident | 86.7 | Confident | 151 Ų | 151 | 46.6 Ų | 46.6 | 81% | 0.807 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -16.6 | -177.6 | -63.9 | -32.9 | 0 | 0 | 0 | 112.9 | F596 | F596-N598 VanDerWaalsContact C-N 3.27Å; F596-N598 PolarHBondContact O-N 2.9Å |
| 599 | S | 82.3 | Confident | 86.7 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | trans | -150.2 | 131.4 | -175.6 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | F596 T601 | F596-S599 CarbonylContact C-O 3.6Å; F596-S599 VanDerWaalsContact CA-O 3.25Å; F596-S599 WeakPolarHBondContact CA-O 3.49Å; S599-T601 VanDerWaalsContact C-N 3.32Å; S599-T601 PolarHBondContact O-N 3.4Å | ||
| 600 | E | 78.5 | Confident | 86.6 | Confident | 125 Ų | 125 | 53.3 Ų | 53.3 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -72.2 | -27.6 | -177.9 | -173 | 173.8 | -177.1 | 0 | 0 | 112.8 | S670 M673 | E600-S670 WeakPolarHBondContact O-CA 3.24Å; E600-M673 HydrophobicContact CG-CE 4.04Å; E600-M673 WeakPolarHBondContact OE1-CE 3.28Å |
| 601 | T | 84.3 | Confident | 86.5 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.1 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | S599 F669 | S599-T601 VanDerWaalsContact C-N 3.32Å; S599-T601 PolarHBondContact O-N 3.4Å; T601-F669 CarbonylContact C-O 3.45Å; T601-F669 VanDerWaalsContact CA-O 3.26Å; T601-F669 WeakPolarHBondContact CA-O 3.41Å |
| 602 | V | 87.6 | Confident | 86.4 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.4 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | F596 E606 L607 F669 | F596-V602 HydrophobicContact CD1-CB 4.41Å; F596-V602 HydrophobicContact CD1-CG2 3.71Å; F596-V602 HydrophobicContact CE1-CB 3.84Å; F596-V602 HydrophobicContact CE1-CG2 3.65Å; F596-V602 HydrophobicContact CG-CG2 4.37Å; F596-V602 HydrophobicContact CZ-CB 4.16Å; F596-V602 HydrophobicContact CZ-CG2 4.26Å; V602-E606 HydrophobicContact CG1-CB 3.83Å; V602-L607 HydrophobicContact CB-CD2 4.32Å; V602-L607 HydrophobicContact CB-CG 4.33Å; V602-L607 HydrophobicContact CG1-CD2 3.78Å; V602-L607 HydrophobicContact CG1-CG 3.72Å; V602-F669 PolarHBondContact N-O 3.42Å; V602-F669 PolarHBondContact O-N 3.05Å |
| 603 | G | 89 | Confident | 86.2 | Confident | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 154.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K605 E606 L607 | G603-K605 VanDerWaalsContact C-N 3.3Å; G603-K605 PolarHBondContact O-N 3.31Å; G603-E606 PolarHBondContact N-OE2 3.34Å; G603-E606 PolarHBondContact O-N 3.46Å; G603-L607 PolarHBondContact O-N 3.08Å |
| 604 | Y | 88.6 | Confident | 85.9 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.6 | -45 | 176 | 179 | -95.9 | 0 | 0 | 0 | 112.4 | L607 Q608 L618 Q619 I622 I663 S667 F669 | Y604-L607 PolarHBondContact O-N 3.38Å; Y604-Q608 PolarHBondContact O-N 3.1Å; Y604-L618 HydrophobicContact CD2-CD2 4.41Å; Y604-L618 HydrophobicContact CE2-CD2 3.82Å; Y604-L618 HydrophobicContact CE2-CG 4.03Å; Y604-Q619 HydrophobicContact CE2-CG 4.1Å; Y604-I622 HydrophobicContact CD2-CD1 3.83Å; Y604-I622 HydrophobicContact CE2-CD1 4Å; Y604-I663 HydrophobicContact CD2-CG2 3.54Å; Y604-I663 HydrophobicContact CE2-CG2 3.88Å; Y604-I663 HydrophobicContact CG-CG2 4.25Å; Y604-S667 PolarHBondContact N-O 3.12Å; Y604-F669 HydrophobicContact CD2-CE2 4.22Å |
| 605 | K | 85.9 | Confident | 85.6 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.4 | -37 | -179.2 | -163 | 159.3 | -174.2 | 161.3 | 0 | 112.8 | G603 Q608 D609 | G603-K605 VanDerWaalsContact C-N 3.3Å; G603-K605 PolarHBondContact O-N 3.31Å; K605-Q608 WeakPolarHBondContact O-CB 3.48Å; K605-Q608 PolarHBondContact O-N 3.36Å; K605-D609 WeakPolarHBondContact O-CB 3.48Å; K605-D609 VanDerWaalsContact O-CG 3.25Å; K605-D609 PolarHBondContact O-N 3.17Å |
| 606 | E | 87 | Confident | 85.3 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 174.5 | -62.7 | 174.4 | 164.2 | 0 | 0 | 111.7 | V602 G603 S610 | V602-E606 HydrophobicContact CG1-CB 3.83Å; G603-E606 PolarHBondContact N-OE2 3.34Å; G603-E606 PolarHBondContact O-N 3.46Å; E606-S610 VanDerWaalsContact O-CB 3.3Å; E606-S610 WeakPolarHBondContact O-CB 3.44Å; E606-S610 PolarHBondContact O-N 2.91Å; E606-S610 PolarHBondContact O-OG 3.11Å |
| 607 | L | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 172.3 | -71.1 | 173.8 | 0 | 0 | 0 | 111.5 | V592 A595 F596 V602 G603 Y604 S610 T611 I622 F669 | V592-L607 HydrophobicContact CG1-CD1 4.25Å; V592-L607 HydrophobicContact CG1-CD2 4.3Å; A595-L607 HydrophobicContact CB-CD2 3.68Å; F596-L607 HydrophobicContact CE2-CD2 4.48Å; F596-L607 HydrophobicContact CZ-CD1 4.44Å; V602-L607 HydrophobicContact CB-CD2 4.32Å; V602-L607 HydrophobicContact CB-CG 4.33Å; V602-L607 HydrophobicContact CG1-CD2 3.78Å; V602-L607 HydrophobicContact CG1-CG 3.72Å; G603-L607 PolarHBondContact O-N 3.08Å; Y604-L607 PolarHBondContact O-N 3.38Å; L607-S610 WeakPolarHBondContact CA-OG 3.37Å; L607-S610 PolarHBondContact O-OG 3.47Å; L607-T611 WeakPolarHBondContact O-CB 3.23Å; L607-T611 WeakPolarHBondContact O-CG2 3.31Å; L607-T611 PolarHBondContact O-N 3.46Å; L607-T611 PolarHBondContact O-OG1 3.07Å; L607-I622 HydrophobicContact CD1-CD1 4.07Å; L607-F669 HydrophobicContact CD1-CD2 4.02Å |
| 608 | Q | 87.8 | Confident | 84.9 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.8 | -171.3 | 177.3 | 10.7 | 0 | 0 | 111.6 | Y604 K605 Q612 E615 L618 | Y604-Q608 PolarHBondContact O-N 3.1Å; K605-Q608 WeakPolarHBondContact O-CB 3.48Å; K605-Q608 PolarHBondContact O-N 3.36Å; Q608-Q612 VanDerWaalsContact O-CA 3.29Å; Q608-Q612 WeakPolarHBondContact O-CA 3.35Å; Q608-Q612 PolarHBondContact O-N 2.87Å; Q608-E615 PolarHBondContact NE2-OE1 3.43Å; Q608-L618 HydrophobicContact CB-CD2 3.73Å; Q608-L618 HydrophobicContact CG-CD2 4.21Å |
| 609 | D | 86.6 | Confident | 85 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | -179.2 | -69.4 | -23 | 0 | 0 | 0 | 112 | K605 Q612 | K605-D609 WeakPolarHBondContact O-CB 3.48Å; K605-D609 VanDerWaalsContact O-CG 3.25Å; K605-D609 PolarHBondContact O-N 3.17Å; D609-Q612 PolarHBondContact O-NE2 3.19Å |
| 610 | S | 85.4 | Confident | 85 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.6 | -36.8 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | A536 E606 L607 | A536-S610 WeakPolarHBondContact CB-O 3.49Å; E606-S610 VanDerWaalsContact O-CB 3.3Å; E606-S610 WeakPolarHBondContact O-CB 3.44Å; E606-S610 PolarHBondContact O-N 2.91Å; E606-S610 PolarHBondContact O-OG 3.11Å; L607-S610 WeakPolarHBondContact CA-OG 3.37Å; L607-S610 PolarHBondContact O-OG 3.47Å |
| 611 | T | 86 | Confident | 85.4 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -92.9 | -18.7 | -178.1 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | F535 A536 A591 L607 M613 | F535-T611 WeakPolarHBondContact CA-O 3.27Å; F535-T611 WeakPolarHBondContact CD2-O 3.46Å; A536-T611 PolarHBondContact N-O 2.94Å; A591-T611 HydrophobicContact CB-CG2 4.06Å; L607-T611 WeakPolarHBondContact O-CB 3.23Å; L607-T611 WeakPolarHBondContact O-CG2 3.31Å; L607-T611 PolarHBondContact O-N 3.46Å; L607-T611 PolarHBondContact O-OG1 3.07Å; T611-M613 PolarHBondContact O-N 3.3Å; T611-M613 VanDerWaalsContact O-N 3.15Å |
| 612 | Q | 87.2 | Confident | 85.5 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | trans | 52.7 | 31 | -175.8 | -65.4 | -68.1 | -40.2 | 0 | 0 | 113.2 | T534 A536 Q608 D609 | T534-Q612 CarbonylContact C-O 3.52Å; T534-Q612 WeakPolarHBondContact O-CB 3.47Å; T534-Q612 PolarHBondContact OG1-O 2.87Å; A536-Q612 HydrophobicContact CB-CB 4.35Å; A536-Q612 HydrophobicContact CB-CG 4.27Å; Q608-Q612 VanDerWaalsContact O-CA 3.29Å; Q608-Q612 WeakPolarHBondContact O-CA 3.35Å; Q608-Q612 PolarHBondContact O-N 2.87Å; D609-Q612 PolarHBondContact O-NE2 3.19Å | ||
| 613 | M | 83.9 | Confident | 85.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | trans | -81.8 | 154.3 | 178.2 | -71.4 | -177.7 | 63.4 | 0 | 0 | 112.1 | F535 Y588 T611 E617 L618 | F535-M613 HydrophobicContact CD2-CG 3.67Å; F535-M613 HydrophobicContact CD2-SD 4.24Å; F535-M613 HydrophobicContact CE2-CG 4.19Å; F535-M613 HydrophobicContact CE2-SD 4.2Å; Y588-M613 HydrophobicContact CD1-CE 3.87Å; Y588-M613 HydrophobicContact CD1-SD 3.96Å; Y588-M613 HydrophobicContact CD2-CE 3.74Å; Y588-M613 HydrophobicContact CE1-CE 4.44Å; Y588-M613 HydrophobicContact CE2-CE 4.3Å; Y588-M613 HydrophobicContact CG-CE 3.47Å; Y588-M613 VanDerWaalsContact CG-CE 3.47Å; Y588-M613 HydrophobicContact CG-SD 4.03Å; T611-M613 PolarHBondContact O-N 3.3Å; T611-M613 VanDerWaalsContact O-N 3.15Å; M613-E617 HydrophobicContact CE-CB 3.93Å; M613-L618 HydrophobicContact CB-CB 4.24Å; M613-L618 HydrophobicContact SD-CD1 4.31Å | ||
| 614 | N | 83.7 | Confident | 85.1 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | trans | -68.6 | 140.7 | 170.3 | -170.4 | -7.4 | 0 | 0 | 0 | 110.5 | K616 E617 L618 | N614-K616 VanDerWaalsContact C-N 3.29Å; N614-K616 PolarHBondContact O-N 3.2Å; N614-E617 PolarHBondContact O-N 3.49Å; N614-L618 PolarHBondContact O-N 3.49Å | ||
| 615 | E | 81.9 | Confident | 85 | Confident | 104 Ų | 104 | 60.9 Ų | 60.9 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -51.3 | -45.7 | -177.1 | -68.9 | 177 | -180 | 0 | 0 | 112.7 | Q608 E617 L618 Q619 | Q608-E615 PolarHBondContact NE2-OE1 3.43Å; E615-E617 VanDerWaalsContact C-N 3.31Å; E615-E617 PolarHBondContact O-N 3.4Å; E615-L618 PolarHBondContact O-N 2.95Å; E615-Q619 WeakPolarHBondContact O-CB 3.31Å; E615-Q619 VanDerWaalsContact O-CG 3.31Å; E615-Q619 WeakPolarHBondContact O-CG 3.41Å; E615-Q619 PolarHBondContact O-N 3.42Å |
| 616 | K | 81.6 | Confident | 85 | Confident | 165 Ų | 165 | 56.7 Ų | 56.7 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | 179.8 | -66.8 | -176.3 | 179.2 | 179.4 | 0 | 112.7 | N614 K620 | N614-K616 VanDerWaalsContact C-N 3.29Å; N614-K616 PolarHBondContact O-N 3.2Å; K616-K620 WeakPolarHBondContact O-CB 3.18Å; K616-K620 PolarHBondContact O-N 3.24Å |
| 617 | E | 80.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76 | -39.9 | 179.4 | -66.3 | -171.8 | 161.3 | 0 | 0 | 111.1 | M613 N614 E615 K620 T621 | M613-E617 HydrophobicContact CE-CB 3.93Å; N614-E617 PolarHBondContact O-N 3.49Å; E615-E617 VanDerWaalsContact C-N 3.31Å; E615-E617 PolarHBondContact O-N 3.4Å; E617-K620 PolarHBondContact O-N 3.03Å; E617-T621 VanDerWaalsContact O-CB 3.29Å; E617-T621 WeakPolarHBondContact O-CB 3.39Å; E617-T621 PolarHBondContact O-N 2.9Å; E617-T621 PolarHBondContact O-OG1 2.98Å |
| 618 | L | 84.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 177.3 | -177 | 60 | 0 | 0 | 0 | 111.3 | V592 Y604 Q608 M613 N614 E615 K620 T621 I622 | V592-L618 HydrophobicContact CG2-CD1 3.95Å; Y604-L618 HydrophobicContact CD2-CD2 4.41Å; Y604-L618 HydrophobicContact CE2-CD2 3.82Å; Y604-L618 HydrophobicContact CE2-CG 4.03Å; Q608-L618 HydrophobicContact CB-CD2 3.73Å; Q608-L618 HydrophobicContact CG-CD2 4.21Å; M613-L618 HydrophobicContact CB-CB 4.24Å; M613-L618 HydrophobicContact SD-CD1 4.31Å; N614-L618 PolarHBondContact O-N 3.49Å; E615-L618 PolarHBondContact O-N 2.95Å; L618-K620 VanDerWaalsContact C-N 3.33Å; L618-K620 PolarHBondContact O-N 3.39Å; L618-T621 WeakPolarHBondContact O-CB 3.33Å; L618-T621 PolarHBondContact O-N 2.77Å; L618-T621 VanDerWaalsContact O-N 3.1Å; L618-I622 HydrophobicContact CD1-CD1 3.8Å; L618-I622 HydrophobicContact CD1-CG1 4.08Å; L618-I622 HydrophobicContact CD2-CD1 4.47Å; L618-I622 HydrophobicContact CG-CD1 3.76Å; L618-I622 HydrophobicContact CG-CG1 4.4Å; L618-I622 WeakPolarHBondContact O-CB 3.38Å; L618-I622 WeakPolarHBondContact O-CG1 3.39Å; L618-I622 PolarHBondContact O-N 3.07Å |
| 619 | Q | 84.5 | Confident | 84.5 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | 175.7 | -75.1 | -179.7 | -20.2 | 0 | 0 | 111.8 | Y604 E615 T621 I622 K623 I663 | Y604-Q619 HydrophobicContact CE2-CG 4.1Å; E615-Q619 WeakPolarHBondContact O-CB 3.31Å; E615-Q619 VanDerWaalsContact O-CG 3.31Å; E615-Q619 WeakPolarHBondContact O-CG 3.41Å; E615-Q619 PolarHBondContact O-N 3.42Å; Q619-T621 VanDerWaalsContact C-N 3.31Å; Q619-T621 PolarHBondContact O-N 2.73Å; Q619-I622 PolarHBondContact O-N 3.06Å; Q619-K623 WeakPolarHBondContact O-CB 3.48Å; Q619-K623 PolarHBondContact O-N 3.38Å; Q619-I663 HydrophobicContact CB-CD1 4.44Å; Q619-I663 HydrophobicContact CG-CB 4.39Å; Q619-I663 PolarHBondContact NE2-O 3.3Å |
| 620 | K | 82.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 177 | -172.1 | 179.5 | 179.2 | -177.9 | 0 | 112 | K616 E617 L618 S624 | K616-K620 WeakPolarHBondContact O-CB 3.18Å; K616-K620 PolarHBondContact O-N 3.24Å; E617-K620 PolarHBondContact O-N 3.03Å; L618-K620 VanDerWaalsContact C-N 3.33Å; L618-K620 PolarHBondContact O-N 3.39Å; K620-S624 WeakPolarHBondContact O-CB 3.4Å; K620-S624 PolarHBondContact O-N 2.83Å; K620-S624 VanDerWaalsContact O-N 3.08Å |
| 621 | T | 86 | Confident | 84.3 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -49.7 | 178.8 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | Q589 V592 E617 L618 Q619 S624 L625 | Q589-T621 HydrophobicContact CB-CG2 4.3Å; Q589-T621 HydrophobicContact CG-CG2 3.7Å; V592-T621 HydrophobicContact CG2-CG2 4.07Å; E617-T621 VanDerWaalsContact O-CB 3.29Å; E617-T621 WeakPolarHBondContact O-CB 3.39Å; E617-T621 PolarHBondContact O-N 2.9Å; E617-T621 PolarHBondContact O-OG1 2.98Å; L618-T621 WeakPolarHBondContact O-CB 3.33Å; L618-T621 PolarHBondContact O-N 2.77Å; L618-T621 VanDerWaalsContact O-N 3.1Å; Q619-T621 VanDerWaalsContact C-N 3.31Å; Q619-T621 PolarHBondContact O-N 2.73Å; T621-S624 WeakPolarHBondContact O-CB 3.34Å; T621-S624 PolarHBondContact O-N 3.3Å; T621-L625 WeakPolarHBondContact O-CG 3.36Å; T621-L625 PolarHBondContact O-N 2.85Å |
| 622 | I | 86.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 178.1 | -68.5 | 172 | 0 | 0 | 0 | 110.3 | V592 Y604 L607 L618 Q619 S624 L625 L626 I663 F669 | V592-I622 HydrophobicContact CG1-CG1 4.47Å; Y604-I622 HydrophobicContact CD2-CD1 3.83Å; Y604-I622 HydrophobicContact CE2-CD1 4Å; L607-I622 HydrophobicContact CD1-CD1 4.07Å; L618-I622 HydrophobicContact CD1-CD1 3.8Å; L618-I622 HydrophobicContact CD1-CG1 4.08Å; L618-I622 HydrophobicContact CD2-CD1 4.47Å; L618-I622 HydrophobicContact CG-CD1 3.76Å; L618-I622 HydrophobicContact CG-CG1 4.4Å; L618-I622 WeakPolarHBondContact O-CB 3.38Å; L618-I622 WeakPolarHBondContact O-CG1 3.39Å; L618-I622 PolarHBondContact O-N 3.07Å; Q619-I622 PolarHBondContact O-N 3.06Å; I622-S624 VanDerWaalsContact C-N 3.29Å; I622-S624 PolarHBondContact O-N 3.47Å; I622-L625 WeakPolarHBondContact O-CA 3.49Å; I622-L625 WeakPolarHBondContact O-CB 3.28Å; I622-L625 PolarHBondContact O-N 3.11Å; I622-L626 HydrophobicContact CG2-CD1 3.41Å; I622-L626 VanDerWaalsContact CG2-CD1 3.41Å; I622-L626 WeakPolarHBondContact O-CD1 3.48Å; I622-L626 PolarHBondContact O-N 2.92Å; I622-I663 HydrophobicContact CB-CD1 4.02Å; I622-I663 HydrophobicContact CG2-CD1 3.72Å; I622-F669 HydrophobicContact CD1-CE2 4.11Å; I622-F669 HydrophobicContact CD1-CZ 4.37Å; I622-F669 HydrophobicContact CG2-CD1 4.07Å; I622-F669 HydrophobicContact CG2-CE1 3.51Å; I622-F669 HydrophobicContact CG2-CE2 4.25Å; I622-F669 HydrophobicContact CG2-CZ 3.63Å |
| 623 | K | 84.4 | Confident | 83.9 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | 176.7 | -176.6 | 166.9 | -174.9 | 158.8 | 0 | 112.2 | Q619 L625 L626 D627 | Q619-K623 WeakPolarHBondContact O-CB 3.48Å; Q619-K623 PolarHBondContact O-N 3.38Å; K623-L625 PolarHBondContact O-N 3.22Å; K623-L626 PolarHBondContact O-N 3.32Å; K623-D627 WeakPolarHBondContact O-CB 3.49Å; K623-D627 PolarHBondContact O-N 3Å |
| 624 | S | 85.6 | Confident | 83.2 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -29.5 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 113.4 | Q589 K620 T621 I622 V628 | Q589-S624 PolarHBondContact NE2-OG 3.31Å; Q589-S624 VanDerWaalsContact NE2-OG 3.15Å; K620-S624 WeakPolarHBondContact O-CB 3.4Å; K620-S624 PolarHBondContact O-N 2.83Å; K620-S624 VanDerWaalsContact O-N 3.08Å; T621-S624 WeakPolarHBondContact O-CB 3.34Å; T621-S624 PolarHBondContact O-N 3.3Å; I622-S624 VanDerWaalsContact C-N 3.29Å; I622-S624 PolarHBondContact O-N 3.47Å; S624-V628 WeakPolarHBondContact O-CG2 3.07Å |
| 625 | L | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81.8 | -34.2 | 176.9 | -65.7 | 172.2 | 0 | 0 | 0 | 111.9 | Q589 V592 L593 T621 I622 K623 K629 M630 L631 I684 | Q589-L625 HydrophobicContact CB-CD2 4.34Å; Q589-L625 HydrophobicContact CG-CD2 4.29Å; Q589-L625 HydrophobicContact CG-CG 4.39Å; V592-L625 HydrophobicContact CB-CD1 4.22Å; V592-L625 HydrophobicContact CG1-CD1 3.88Å; L593-L625 HydrophobicContact CD1-CD2 4.29Å; L593-L625 HydrophobicContact CD2-CD1 4.29Å; L593-L625 HydrophobicContact CD2-CD2 4.41Å; L593-L625 HydrophobicContact CG-CD1 4.28Å; L593-L625 HydrophobicContact CG-CD2 4.42Å; T621-L625 WeakPolarHBondContact O-CG 3.36Å; T621-L625 PolarHBondContact O-N 2.85Å; I622-L625 WeakPolarHBondContact O-CA 3.49Å; I622-L625 WeakPolarHBondContact O-CB 3.28Å; I622-L625 PolarHBondContact O-N 3.11Å; K623-L625 PolarHBondContact O-N 3.22Å; L625-K629 PolarHBondContact O-N 3.33Å; L625-M630 HydrophobicContact CD2-SD 4.37Å; L625-M630 PolarHBondContact O-N 2.91Å; L625-L631 HydrophobicContact CB-CD1 3.76Å; L625-L631 HydrophobicContact CB-CG 4.07Å; L625-L631 HydrophobicContact CD1-CD1 3.88Å; L625-L631 HydrophobicContact CG-CD1 4.48Å; L625-I684 HydrophobicContact CD2-CG2 4.37Å |
| 626 | L | 85.6 | Confident | 80.2 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 171.5 | -88.8 | 80.8 | 0 | 0 | 0 | 112 | I622 K623 V628 K629 L631 H633 F669 | I622-L626 HydrophobicContact CG2-CD1 3.41Å; I622-L626 VanDerWaalsContact CG2-CD1 3.41Å; I622-L626 WeakPolarHBondContact O-CD1 3.48Å; I622-L626 PolarHBondContact O-N 2.92Å; K623-L626 PolarHBondContact O-N 3.32Å; L626-V628 PolarHBondContact O-N 3.42Å; L626-K629 VanDerWaalsContact O-CA 3.27Å; L626-K629 WeakPolarHBondContact O-CA 3.46Å; L626-K629 PolarHBondContact O-N 3.25Å; L626-L631 HydrophobicContact CD1-CB 4.1Å; L626-L631 HydrophobicContact CD1-CD1 4.48Å; L626-H633 HydrophobicContact CD2-CB 3.84Å; L626-F669 HydrophobicContact CD1-CD1 4.02Å; L626-F669 HydrophobicContact CD1-CE1 3.91Å |
| 627 | D | 83.4 | Confident | 78.4 | Confident | 116 Ų | 116 | 55.6 Ų | 55.6 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.2 | -35.3 | -179.7 | -71.5 | -18 | 0 | 0 | 0 | 111.3 | K623 K629 | K623-D627 WeakPolarHBondContact O-CB 3.49Å; K623-D627 PolarHBondContact O-N 3Å; D627-K629 PolarHBondContact O-N 3.47Å |
| 628 | V | 83 | Confident | 76.3 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.7 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 112 | S624 L626 M630 F675 F682 I684 | S624-V628 WeakPolarHBondContact O-CG2 3.07Å; L626-V628 PolarHBondContact O-N 3.42Å; V628-M630 VanDerWaalsContact C-N 3.32Å; V628-M630 HydrophobicContact CB-CG 4.5Å; V628-M630 HydrophobicContact CG1-CG 4.1Å; V628-M630 HydrophobicContact CG1-SD 4.42Å; V628-M630 PolarHBondContact O-N 3.29Å; V628-F675 HydrophobicContact CG1-CE2 4.3Å; V628-F675 VanDerWaalsContact O-CE2 3.31Å; V628-F675 WeakPolarHBondContact O-CE2 3.45Å; V628-F682 HydrophobicContact CG1-CE2 4.12Å; V628-I684 HydrophobicContact CG1-CG1 4.22Å; V628-I684 HydrophobicContact CG2-CG1 4.38Å; V628-I684 HydrophobicContact CG2-CG2 4.04Å |
| 629 | K | 84.5 | Confident | 74.1 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 34.9 | -177.9 | -53.2 | -175.2 | 177.5 | -174.3 | 0 | 113.5 | L625 L626 D627 N672 F675 | L625-K629 PolarHBondContact O-N 3.33Å; L626-K629 VanDerWaalsContact O-CA 3.27Å; L626-K629 WeakPolarHBondContact O-CA 3.46Å; L626-K629 PolarHBondContact O-N 3.25Å; D627-K629 PolarHBondContact O-N 3.47Å; K629-N672 WeakPolarHBondContact O-CB 3.43Å; K629-N672 PolarHBondContact O-ND2 2.95Å; K629-F675 WeakPolarHBondContact O-CD2 3.43Å |
| 630 | M | 82.8 | Confident | 71.7 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -84.5 | -30.4 | 172.1 | -71.1 | -172.6 | 62 | 0 | 0 | 112.5 | M574 A583 L593 L625 V628 N672 F675 F682 I684 | M574-M630 HydrophobicContact CE-CE 3.65Å; M574-M630 HydrophobicContact CE-SD 4.37Å; M574-M630 HydrophobicContact SD-CE 3.6Å; M574-M630 VanDerWaalsContact SD-CE 3.6Å; A583-M630 HydrophobicContact CB-CE 4.36Å; L593-M630 HydrophobicContact CD1-CE 3.91Å; L593-M630 HydrophobicContact CD2-CE 3.98Å; L625-M630 HydrophobicContact CD2-SD 4.37Å; L625-M630 PolarHBondContact O-N 2.91Å; V628-M630 VanDerWaalsContact C-N 3.32Å; V628-M630 HydrophobicContact CB-CG 4.5Å; V628-M630 HydrophobicContact CG1-CG 4.1Å; V628-M630 HydrophobicContact CG1-SD 4.42Å; V628-M630 PolarHBondContact O-N 3.29Å; M630-N672 WeakPolarHBondContact O-CB 3.32Å; M630-N672 PolarHBondContact O-N 3.47Å; M630-F675 HydrophobicContact CG-CD2 4.47Å; M630-F675 HydrophobicContact CG-CE2 4.3Å; M630-F682 HydrophobicContact SD-CE2 4.24Å; M630-F682 HydrophobicContact SD-CZ 4.33Å; M630-I684 HydrophobicContact CE-CD1 4.42Å; M630-I684 HydrophobicContact SD-CD1 3.34Å; M630-I684 WeakPolarHBondContact SD-CD1 3.4Å; M630-I684 HydrophobicContact SD-CG1 4.2Å |
| 631 | L | 85.2 | Confident | 69.3 | Low | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.1 | 173.9 | -61.5 | 176 | 0 | 0 | 0 | 109.3 | V592 F596 L625 L626 S670 L671 | V592-L631 HydrophobicContact CG1-CD1 4.35Å; F596-L631 HydrophobicContact CD2-CD2 4.15Å; F596-L631 HydrophobicContact CE1-CD2 4.4Å; F596-L631 HydrophobicContact CE2-CD1 4.36Å; F596-L631 HydrophobicContact CE2-CD2 3.65Å; F596-L631 HydrophobicContact CZ-CD2 3.79Å; L625-L631 HydrophobicContact CB-CD1 3.76Å; L625-L631 HydrophobicContact CB-CG 4.07Å; L625-L631 HydrophobicContact CD1-CD1 3.88Å; L625-L631 HydrophobicContact CG-CD1 4.48Å; L626-L631 HydrophobicContact CD1-CB 4.1Å; L626-L631 HydrophobicContact CD1-CD1 4.48Å; L631-S670 CarbonylContact C-O 3.51Å; L631-S670 WeakPolarHBondContact CA-O 2.95Å; L631-L671 HydrophobicContact CD2-CD2 4.22Å |
| 632 | N | 84 | Confident | 66.9 | Low | 47 Ų | 47 | 77.8 Ų | 77.8 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.9 | 167.6 | -63.4 | -28.1 | 0 | 0 | 0 | 108.7 | F669 S670 | N632-F669 WeakPolarHBondContact O-CA 3.4Å; N632-S670 PolarHBondContact N-O 3.32Å; N632-S670 PolarHBondContact O-N 2.88Å |
| 633 | H | 82.2 | Confident | 64.5 | Low | 31 Ų | 31 | 83.1 Ų | 83.1 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136 | 173.1 | -177.6 | -110.1 | 0 | 0 | 0 | 109 | L626 S635 Q636 S667 F669 | L626-H633 HydrophobicContact CD2-CB 3.84Å; H633-S635 PolarHBondContact CE1-OG 3.06Å; H633-S635 WeakPolarHBondContact ND1-CB 3.37Å; H633-S635 PolarHBondContact ND1-N 2.98Å; H633-S635 PolarHBondContact ND1-OG 2.91Å; H633-S635 PolarHBondContact O-N 3.45Å; H633-Q636 WeakPolarHBondContact O-CB 3.43Å; H633-Q636 PolarHBondContact O-N 3.48Å; H633-S667 VanDerWaalsContact NE2-CB 3.28Å; H633-S667 WeakPolarHBondContact NE2-CB 3.37Å; H633-S667 PolarHBondContact NE2-OG 2.98Å; H633-F669 AromaticContact CD2-CE1 3.48Å; H633-F669 VanDerWaalsContact CD2-CE1 3.48Å; H633-F669 WeakPolarHBondContact CD2-CE1 3.35Å |
| 634 | D | 67.6 | Low | 61.9 | Low | 53 Ų | 53 | 83.5 Ų | 83.5 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -62.8 | -17.8 | -172.6 | -99.9 | -19.6 | 0 | 0 | 0 | 114.1 | Q636 K637 T668 | D634-Q636 PolarHBondContact O-N 3.3Å; D634-Q636 VanDerWaalsContact O-N 3.12Å; D634-K637 PolarHBondContact O-N 3.43Å; D634-K637 VanDerWaalsContact O-N 3.1Å; D634-K637 WeakPolarHBondContact OD1-CD 3.39Å; D634-K637 WeakPolarHBondContact OD1-CE 3.47Å; D634-K637 IonicContact OD1-NZ 3.28Å; D634-K637 PolarHBondContact OD1-NZ 3.04Å; D634-T668 WeakPolarHBondContact CB-OG1 3.49Å; D634-T668 VanDerWaalsContact CG-OG1 3.31Å; D634-T668 PolarHBondContact N-O 3.46Å; D634-T668 PolarHBondContact OD2-OG1 3.34Å |
| 635 | S | 55.2 | Low | 59.4 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -61.1 | -20 | 170.3 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | H633 | H633-S635 PolarHBondContact CE1-OG 3.06Å; H633-S635 WeakPolarHBondContact ND1-CB 3.37Å; H633-S635 PolarHBondContact ND1-N 2.98Å; H633-S635 PolarHBondContact ND1-OG 2.91Å; H633-S635 PolarHBondContact O-N 3.45Å |
| 636 | Q | 48.3 | Very low | 56.6 | Low | 139 Ų | 139 | 94 Ų | 94 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -80.8 | -18.6 | 176.2 | -73.8 | -171 | -5 | 0 | 0 | 114.1 | H633 D634 | H633-Q636 WeakPolarHBondContact O-CB 3.43Å; H633-Q636 PolarHBondContact O-N 3.48Å; D634-Q636 PolarHBondContact O-N 3.3Å; D634-Q636 VanDerWaalsContact O-N 3.12Å |
| 637 | K | 42.7 | Very low | 54 | Low | 131 Ų | 131 | 99.5 Ų | 99.5 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -25.7 | 177.3 | -76.5 | -175 | -170 | 141.6 | 0 | 113.1 | D634 | D634-K637 PolarHBondContact O-N 3.43Å; D634-K637 VanDerWaalsContact O-N 3.1Å; D634-K637 WeakPolarHBondContact OD1-CD 3.39Å; D634-K637 WeakPolarHBondContact OD1-CE 3.47Å; D634-K637 IonicContact OD1-NZ 3.28Å; D634-K637 PolarHBondContact OD1-NZ 3.04Å |
| 638 | V | 36.9 | Very low | 51.4 | Low | 120 Ų | 120 | 99.4 Ų | 99.4 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -77.7 | -23.6 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 113 | ||
| 639 | R | 37.6 | Very low | 49.1 | Very low | 218 Ų | 218 | 104 Ų | 104 | 82% | 0.823 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -82.7 | -13.5 | 178.4 | -99.8 | -178.4 | 175.1 | -178.9 | -0.3 | 115 | Q641 | R639-Q641 VanDerWaalsContact C-N 3.26Å; R639-Q641 PolarHBondContact O-N 3.32Å |
| 640 | G | 34 | Very low | 46.4 | Very low | 63 Ų | 63 | 99.9 Ų | 99.9 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -73.7 | -4.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 641 | Q | 33.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 107.7 Ų | 107.7 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -111.7 | 4.8 | -177 | -87.9 | -173.4 | -1.2 | 0 | 0 | 115.9 | R639 | R639-Q641 VanDerWaalsContact C-N 3.26Å; R639-Q641 PolarHBondContact O-N 3.32Å |
| 642 | V | 35.4 | Very low | 41.2 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -10.4 | -177.7 | -167.3 | 0 | 0 | 0 | 0 | 115 | A644 | V642-A644 PolarHBondContact O-N 2.87Š|
| 643 | S | 35.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | -100.6 | 66.6 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 644 | A | 31.9 | Very low | 35.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -128.7 | 54.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V642 | V642-A644 PolarHBondContact O-N 2.87Š| ||
| 645 | A | 31.6 | Very low | 34 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 179.8 | 100.8 | 157 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 646 | T | 29.2 | Very low | 32.7 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | 170.4 | 118.9 | 128.3 | 38.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 647 | D | 29.7 | Very low | 31.8 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -62 | 129.8 | 169.8 | -71.6 | -48.1 | 0 | 0 | 0 | 111.6 | ||||
| 648 | S | 28.7 | Very low | 31.2 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 175.2 | 128.1 | 133.5 | -76.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 649 | P | 35.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -95.3 | 107.1 | 178.6 | 33.3 | -26 | 0 | 0 | 0 | 110.8 | ||||
| 650 | G | 27.5 | Very low | 30.8 | Very low | 59 Ų | 59 | 125.8 Ų | 125.8 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | -174.8 | 125.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 651 | D | 27.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 74.5 | 79.2 | 167.5 | -49.1 | -29.4 | 0 | 0 | 0 | 117.6 | ||||
| 652 | L | 30.5 | Very low | 32.6 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -144 | 60.5 | 168.4 | -102.5 | 138.1 | 0 | 0 | 0 | 111.7 | ||||
| 653 | E | 30 | Very low | 34 | Very low | 201 Ų | 201 | 123.5 Ų | 123.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -127.6 | 7.2 | 167.4 | -86 | -167 | 158.8 | 0 | 0 | 114.8 | ||
| 654 | S | 26.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -121.4 | 10.5 | -176.2 | 62.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 655 | A | 26.7 | Very low | 37.2 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -111.9 | 31.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 656 | G | 27.6 | Very low | 39 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -99.6 | 1.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 657 | S | 30.5 | Very low | 41.5 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -123.5 | 11.8 | -168.2 | 64.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 658 | S | 30.7 | Very low | 44.1 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -133.5 | 96.7 | -177.8 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 659 | L | 30.6 | Very low | 47 | Very low | 165 Ų | 165 | 110.9 Ų | 110.9 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | 164.2 | 124.1 | 122.7 | -81.8 | 162.3 | 0 | 0 | 0 | 108.8 | E661 | L659-E661 VanDerWaalsContact C-N 3.27Å; L659-E661 PolarHBondContact O-N 3.41Å | |||
| 660 | L | 35.7 | Very low | 49.5 | Very low | 143 Ų | 143 | 104.7 Ų | 104.7 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | trans | -63 | 89.7 | 164.2 | -69 | 148 | 0 | 0 | 0 | 107.2 | E662 | L660-E662 PolarHBondContact O-N 3.46Š| ||
| 661 | E | 46.6 | Very low | 52.2 | Low | 147 Ų | 147 | 102.9 Ų | 102.9 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | trans | -68 | 97.4 | 154.3 | -84.3 | -179.5 | 167.1 | 0 | 0 | 105.4 | L659 I663 | L659-E661 VanDerWaalsContact C-N 3.27Å; L659-E661 PolarHBondContact O-N 3.41Å; E661-I663 PolarHBondContact O-N 3.29Å | ||
| 662 | E | 57.2 | Low | 55 | Low | 160 Ų | 160 | 95.8 Ų | 95.8 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | trans | -58.2 | 125.4 | 165.7 | -69.8 | -174.5 | 165.8 | 0 | 0 | 106.9 | L660 E664 | L660-E662 PolarHBondContact O-N 3.46Å; E662-E664 PolarHBondContact O-N 3.02Å; E662-E664 VanDerWaalsContact O-N 3.08Å | ||
| 663 | I | 65.9 | Low | 57.4 | Low | 23 Ų | 23 | 92.4 Ų | 92.4 | 12% | 0.118 | 53% | 0.534 | C | S | . | . | trans | -65.1 | 112.2 | 175.4 | -68.4 | 164.5 | 0 | 0 | 0 | 106.7 | Y604 Q619 I622 E661 F669 | Y604-I663 HydrophobicContact CD2-CG2 3.54Å; Y604-I663 HydrophobicContact CE2-CG2 3.88Å; Y604-I663 HydrophobicContact CG-CG2 4.25Å; Q619-I663 HydrophobicContact CB-CD1 4.44Å; Q619-I663 HydrophobicContact CG-CB 4.39Å; Q619-I663 PolarHBondContact NE2-O 3.3Å; I622-I663 HydrophobicContact CB-CD1 4.02Å; I622-I663 HydrophobicContact CG2-CD1 3.72Å; E661-I663 PolarHBondContact O-N 3.29Å; I663-F669 HydrophobicContact CG2-CE2 4.33Å; I663-F669 HydrophobicContact CG2-CZ 3.66Å | ||
| 664 | E | 68.8 | Low | 59.8 | Low | 144 Ų | 144 | 87.2 Ų | 87.2 | 67% | 0.673 | 52% | 0.521 | S | S | * | . | trans | -75.7 | 155.1 | 179.6 | -66.4 | -178.8 | 170.1 | 0 | 0 | 110.7 | E662 E666 S667 | E662-E664 PolarHBondContact O-N 3.02Å; E662-E664 VanDerWaalsContact O-N 3.08Å; E664-E666 PolarHBondContact O-N 3.25Å; E664-S667 PolarHBondContact N-OG 2.77Å; E664-S667 WeakPolarHBondContact O-CB 3.3Å; E664-S667 PolarHBondContact O-N 3.48Å; E664-S667 VanDerWaalsContact O-N 3.07Å; E664-S667 PolarHBondContact O-OG 2.95Å; E664-S667 VanDerWaalsContact O-OG 3.12Å | ||
| 665 | A | 64.7 | Low | 62.5 | Low | 70 Ų | 70 | 82.6 Ų | 82.6 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 666 | E | 69.4 | Low | 65 | Low | 185 Ų | 185 | 83.9 Ų | 83.9 | 86% | 0.864 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.8 | 177.1 | -60.3 | -170.6 | 172.1 | 0 | 0 | 113 | E664 T668 | E664-E666 PolarHBondContact O-N 3.25Å; E666-T668 PolarHBondContact O-N 3.43Å |
| 667 | S | 81.9 | Confident | 67.5 | Low | 10 Ų | 10 | 81.9 Ų | 81.9 | 7% | 0.07 | 46% | 0.458 | C | S | . | . | trans | -63.5 | 130.8 | 178.6 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | Y604 H633 E664 | Y604-S667 PolarHBondContact N-O 3.12Å; H633-S667 VanDerWaalsContact NE2-CB 3.28Å; H633-S667 WeakPolarHBondContact NE2-CB 3.37Å; H633-S667 PolarHBondContact NE2-OG 2.98Å; E664-S667 PolarHBondContact N-OG 2.77Å; E664-S667 WeakPolarHBondContact O-CB 3.3Å; E664-S667 PolarHBondContact O-N 3.48Å; E664-S667 VanDerWaalsContact O-N 3.07Å; E664-S667 PolarHBondContact O-OG 2.95Å; E664-S667 VanDerWaalsContact O-OG 3.12Å | ||
| 668 | T | 84.9 | Confident | 70 | Confident | 48 Ų | 48 | 87.1 Ų | 87.1 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.4 | 170.8 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | D634 E666 | D634-T668 WeakPolarHBondContact CB-OG1 3.49Å; D634-T668 VanDerWaalsContact CG-OG1 3.31Å; D634-T668 PolarHBondContact N-O 3.46Å; D634-T668 PolarHBondContact OD2-OG1 3.34Å; E666-T668 PolarHBondContact O-N 3.43Å |
| 669 | F | 88.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 91 Ų | 91 | 0% | 0.004 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.7 | 179.9 | -57.9 | -78.7 | 0 | 0 | 0 | 110.1 | F596 T601 V602 Y604 L607 I622 L626 N632 H633 I663 | F596-F669 HydrophobicContact CE1-CB 4.31Å; F596-F669 WeakPolarHBondContact CE1-O 3.44Å; F596-F669 HydrophobicContact CZ-CB 3.94Å; T601-F669 CarbonylContact C-O 3.45Å; T601-F669 VanDerWaalsContact CA-O 3.26Å; T601-F669 WeakPolarHBondContact CA-O 3.41Å; V602-F669 PolarHBondContact N-O 3.42Å; V602-F669 PolarHBondContact O-N 3.05Å; Y604-F669 HydrophobicContact CD2-CE2 4.22Å; L607-F669 HydrophobicContact CD1-CD2 4.02Å; I622-F669 HydrophobicContact CD1-CE2 4.11Å; I622-F669 HydrophobicContact CD1-CZ 4.37Å; I622-F669 HydrophobicContact CG2-CD1 4.07Å; I622-F669 HydrophobicContact CG2-CE1 3.51Å; I622-F669 HydrophobicContact CG2-CE2 4.25Å; I622-F669 HydrophobicContact CG2-CZ 3.63Å; L626-F669 HydrophobicContact CD1-CD1 4.02Å; L626-F669 HydrophobicContact CD1-CE1 3.91Å; N632-F669 WeakPolarHBondContact O-CA 3.4Å; H633-F669 AromaticContact CD2-CE1 3.48Å; H633-F669 VanDerWaalsContact CD2-CE1 3.48Å; H633-F669 WeakPolarHBondContact CD2-CE1 3.35Å; I663-F669 HydrophobicContact CG2-CE2 4.33Å; I663-F669 HydrophobicContact CG2-CZ 3.66Å |
| 670 | S | 87.1 | Confident | 75 | Confident | 11 Ų | 11 | 87.4 Ų | 87.4 | 8% | 0.077 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.6 | 173.7 | 81.9 | 0 | 0 | 0 | 0 | 111.5 | E600 L631 N632 | E600-S670 WeakPolarHBondContact O-CA 3.24Å; L631-S670 CarbonylContact C-O 3.51Å; L631-S670 WeakPolarHBondContact CA-O 2.95Å; N632-S670 PolarHBondContact N-O 3.32Å; N632-S670 PolarHBondContact O-N 2.88Å |
| 671 | L | 85.6 | Confident | 77.3 | Confident | 21 Ų | 21 | 85.5 Ų | 85.5 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.1 | 173.4 | -80.1 | 169.3 | 0 | 0 | 0 | 111.2 | Y576 F596 L631 M673 | Y576-L671 HydrophobicContact CE1-CD1 4.38Å; Y576-L671 HydrophobicContact CE1-CD2 4.26Å; F596-L671 HydrophobicContact CB-CD1 3.58Å; F596-L671 HydrophobicContact CB-CD2 4.24Å; F596-L671 HydrophobicContact CB-CG 3.74Å; F596-L671 HydrophobicContact CD1-CG 4.21Å; F596-L671 HydrophobicContact CG-CD1 4.36Å; F596-L671 HydrophobicContact CG-CD2 4.39Å; F596-L671 HydrophobicContact CG-CG 3.98Å; L631-L671 HydrophobicContact CD2-CD2 4.22Å; L671-M673 HydrophobicContact CB-CE 4.22Å; L671-M673 PolarHBondContact O-N 2.97Å |
| 672 | N | 86.2 | Confident | 79.1 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 8% | 0.075 | 41% | 0.408 | C | S | . | . | trans | -82.6 | 105.8 | 173.8 | -175 | 7 | 0 | 0 | 0 | 111.4 | Y576 K629 M630 S674 | Y576-N672 WeakPolarHBondContact CE2-O 3.37Å; Y576-N672 PolarHBondContact OH-O 3.48Å; K629-N672 WeakPolarHBondContact O-CB 3.43Å; K629-N672 PolarHBondContact O-ND2 2.95Å; M630-N672 WeakPolarHBondContact O-CB 3.32Å; M630-N672 PolarHBondContact O-N 3.47Å; N672-S674 VanDerWaalsContact C-N 3.31Å; N672-S674 PolarHBondContact O-N 2.87Å; N672-S674 PolarHBondContact OD1-N 3.47Å; N672-S674 PolarHBondContact OD1-OG 3.13Å; N672-S674 VanDerWaalsContact OD1-OG 3.07Å | ||
| 673 | M | 80.7 | Confident | 80.2 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.6 | 179.7 | -58.7 | -58.7 | -179.5 | 0 | 0 | 114.3 | Y576 L577 E600 L671 | Y576-M673 HydrophobicContact CD2-SD 3.47Å; Y576-M673 WeakPolarHBondContact CD2-SD 3.23Å; Y576-M673 HydrophobicContact CE2-SD 3.82Å; Y576-M673 HydrophobicContact CG-SD 4.44Å; L577-M673 VanDerWaalsContact CD2-O 3.3Å; L577-M673 WeakPolarHBondContact CD2-O 3.38Å; E600-M673 HydrophobicContact CG-CE 4.04Å; E600-M673 WeakPolarHBondContact OE1-CE 3.28Å; L671-M673 HydrophobicContact CB-CE 4.22Å; L671-M673 PolarHBondContact O-N 2.97Å |
| 674 | S | 80.9 | Confident | 80.7 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 18.8 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | N672 T676 | N672-S674 VanDerWaalsContact C-N 3.31Å; N672-S674 PolarHBondContact O-N 2.87Å; N672-S674 PolarHBondContact OD1-N 3.47Å; N672-S674 PolarHBondContact OD1-OG 3.13Å; N672-S674 VanDerWaalsContact OD1-OG 3.07Å; S674-T676 PolarHBondContact O-N 3.42Å |
| 675 | F | 81.8 | Confident | 80.4 | Confident | 18 Ų | 18 | 70 Ų | 70 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | trans | -61 | 129.2 | -179.5 | 177.5 | -97.3 | 0 | 0 | 0 | 112 | M574 L577 Y581 V628 K629 M630 F682 | M574-F675 HydrophobicContact CE-CE1 4.45Å; L577-F675 HydrophobicContact CD1-CB 3.95Å; L577-F675 HydrophobicContact CD1-CD1 3.85Å; L577-F675 HydrophobicContact CD1-CG 4.36Å; L577-F675 HydrophobicContact CD2-CB 4.26Å; Y581-F675 HydrophobicContact CD1-CE1 4.49Å; Y581-F675 AromaticContact CD2-CD1 4Å; Y581-F675 HydrophobicContact CD2-CD1 4Å; Y581-F675 HydrophobicContact CD2-CE1 4.2Å; Y581-F675 HydrophobicContact CE2-CD1 4.12Å; Y581-F675 HydrophobicContact CE2-CE1 4.41Å; Y581-F675 HydrophobicContact CG-CD1 4.47Å; Y581-F675 HydrophobicContact CG-CE1 4.23Å; V628-F675 HydrophobicContact CG1-CE2 4.3Å; V628-F675 VanDerWaalsContact O-CE2 3.31Å; V628-F675 WeakPolarHBondContact O-CE2 3.45Å; K629-F675 WeakPolarHBondContact O-CD2 3.43Å; M630-F675 HydrophobicContact CG-CD2 4.47Å; M630-F675 HydrophobicContact CG-CE2 4.3Å; F675-F682 AromaticContact CE1-CE1 3.68Å; F675-F682 HydrophobicContact CE1-CE1 3.68Å; F675-F682 AromaticContact CE1-CZ 3.61Å; F675-F682 HydrophobicContact CE1-CZ 3.61Å; F675-F682 AromaticContact CZ-CE1 3.85Å; F675-F682 HydrophobicContact CZ-CE1 3.85Å; F675-F682 HydrophobicContact CZ-CE2 4.12Å; F675-F682 AromaticContact CZ-CZ 3.45Å; F675-F682 HydrophobicContact CZ-CZ 3.45Å; F675-F682 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 676 | T | 78.9 | Confident | 79.8 | Confident | 119 Ų | 119 | 71.7 Ų | 71.7 | 73% | 0.73 | 37% | 0.365 | S | S | * | . | trans | -131.8 | 134.7 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | S674 | S674-T676 PolarHBondContact O-N 3.42Š| ||
| 677 | S | 81.4 | Confident | 78.6 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -131.8 | 146.4 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | Y581 R679 | Y581-S677 PolarHBondContact OH-N 2.99Å; Y581-S677 VanDerWaalsContact OH-N 3.13Å; Y581-S677 PolarHBondContact OH-O 3.41Å; S677-R679 PolarHBondContact O-N 3.38Å; S677-R679 PolarHBondContact OG-N 3.45Å; S677-R679 PolarHBondContact OG-O 3.16Å | ||
| 678 | K | 82.3 | Confident | 76.9 | Confident | 220 Ų | 220 | 69.2 Ų | 69.2 | 96% | 0.957 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -64 | -23.3 | 174.3 | -68 | -176.1 | -179.9 | 179.1 | 0 | 112.5 | ||
| 679 | R | 82.1 | Confident | 75.4 | Confident | 184 Ų | 184 | 70.3 Ų | 70.3 | 69% | 0.694 | 36% | 0.362 | S | S | * | . | trans | -119.2 | 133.9 | -177.6 | -56.6 | -178.9 | 84 | -178.1 | 4.8 | 110.4 | S677 K681 | S677-R679 PolarHBondContact O-N 3.38Å; S677-R679 PolarHBondContact OG-N 3.45Å; S677-R679 PolarHBondContact OG-O 3.16Å; R679-K681 VanDerWaalsContact C-N 3.31Å; R679-K681 PolarHBondContact O-N 3.11Å | ||
| 680 | T | 83.6 | Confident | 74 | Confident | 89 Ų | 89 | 78.2 Ų | 78.2 | 55% | 0.546 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -66.9 | -32.7 | 176.2 | -43.7 | 0 | 0 | 0 | 0 | 112.3 | P580 Y581 V582 | P580-T680 WeakPolarHBondContact O-CG2 3.33Å; Y581-T680 CarbonylContact C-O 3.52Å; Y581-T680 WeakPolarHBondContact CA-O 3.15Å; V582-T680 PolarHBondContact N-O 3.03Å |
| 681 | K | 84.8 | Confident | 72.8 | Confident | 103 Ų | 103 | 79.1 Ų | 79.1 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126 | 172 | -174.1 | 166.8 | 179.6 | 162.9 | 0 | 110 | E571 V582 R679 | E571-K681 WeakPolarHBondContact OE1-CE 3.36Å; E571-K681 IonicContact OE1-NZ 3.76Å; E571-K681 PolarHBondContact OE1-NZ 2.89Å; E571-K681 IonicContact OE2-NZ 3.57Å; E571-K681 PolarHBondContact OE2-NZ 2.93Å; V582-K681 HydrophobicContact CB-CB 4.41Å; V582-K681 HydrophobicContact CB-CG 4.25Å; V582-K681 HydrophobicContact CG1-CD 4.43Å; V582-K681 HydrophobicContact CG1-CG 4.35Å; V582-K681 VanDerWaalsContact O-CA 3.32Å; V582-K681 WeakPolarHBondContact O-CA 3.22Å; R679-K681 VanDerWaalsContact C-N 3.31Å; R679-K681 PolarHBondContact O-N 3.11Å |
| 682 | F | 84.5 | Confident | 72 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.2 | -177.9 | 62.2 | -89.6 | 0 | 0 | 0 | 112.2 | M574 Y581 V582 A583 M584 V628 M630 F675 I684 | M574-F682 HydrophobicContact CE-CE1 3.93Å; M574-F682 HydrophobicContact CE-CZ 3.57Å; Y581-F682 HydrophobicContact CD1-CE1 4.19Å; Y581-F682 HydrophobicContact CG-CE1 4.37Å; V582-F682 PolarHBondContact O-N 3.26Å; V582-F682 VanDerWaalsContact O-N 3.09Å; A583-F682 HydrophobicContact CB-CE2 4.16Å; A583-F682 HydrophobicContact CB-CZ 4.1Å; M584-F682 PolarHBondContact N-O 3.33Å; V628-F682 HydrophobicContact CG1-CE2 4.12Å; M630-F682 HydrophobicContact SD-CE2 4.24Å; M630-F682 HydrophobicContact SD-CZ 4.33Å; F675-F682 AromaticContact CE1-CE1 3.68Å; F675-F682 HydrophobicContact CE1-CE1 3.68Å; F675-F682 AromaticContact CE1-CZ 3.61Å; F675-F682 HydrophobicContact CE1-CZ 3.61Å; F675-F682 AromaticContact CZ-CE1 3.85Å; F675-F682 HydrophobicContact CZ-CE1 3.85Å; F675-F682 HydrophobicContact CZ-CE2 4.12Å; F675-F682 AromaticContact CZ-CZ 3.45Å; F675-F682 HydrophobicContact CZ-CZ 3.45Å; F675-F682 VanDerWaalsContact CZ-CZ 3.45Å; F682-I684 HydrophobicContact CD2-CG1 4.04Å; F682-I684 HydrophobicContact CE2-CD1 3.91Å; F682-I684 HydrophobicContact CE2-CG1 3.76Å |
| 683 | K | 80.9 | Confident | 71.4 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 47% | 0.47 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.1 | 177.8 | -64.3 | -169.1 | -177.8 | -165.4 | 0 | 109.5 | M584 | M584-K683 HydrophobicContact CB-CB 4.37Å; M584-K683 HydrophobicContact CB-CG 3.87Å; M584-K683 HydrophobicContact CE-CD 4.13Å; M584-K683 VanDerWaalsContact CE-CE 3.43Å; M584-K683 HydrophobicContact CE-CG 4.25Å; M584-K683 HydrophobicContact CG-CG 4.34Å |
| 684 | I | 75.9 | Confident | 71.2 | Confident | 4 Ų | 4 | 87 Ų | 87 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | trans | -93 | -14.9 | 175.8 | -65.7 | 149.2 | 0 | 0 | 0 | 111 | A583 M584 V585 L625 V628 M630 F682 T686 | A583-I684 HydrophobicContact CB-CD1 3.67Å; M584-I684 PolarHBondContact O-N 2.87Å; M584-I684 VanDerWaalsContact O-N 3.14Å; V585-I684 HydrophobicContact CG1-CD1 3.41Å; V585-I684 VanDerWaalsContact CG1-CD1 3.41Å; L625-I684 HydrophobicContact CD2-CG2 4.37Å; V628-I684 HydrophobicContact CG1-CG1 4.22Å; V628-I684 HydrophobicContact CG2-CG1 4.38Å; V628-I684 HydrophobicContact CG2-CG2 4.04Å; M630-I684 HydrophobicContact CE-CD1 4.42Å; M630-I684 HydrophobicContact SD-CD1 3.34Å; M630-I684 WeakPolarHBondContact SD-CD1 3.4Å; M630-I684 HydrophobicContact SD-CG1 4.2Å; F682-I684 HydrophobicContact CD2-CG1 4.04Å; F682-I684 HydrophobicContact CE2-CD1 3.91Å; F682-I684 HydrophobicContact CE2-CG1 3.76Å; I684-T686 PolarHBondContact O-N 2.86Å | ||
| 685 | T | 61.2 | Low | 71 | Confident | 14 Ų | 14 | 85.1 Ų | 85.1 | 9% | 0.086 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -68.5 | 13.4 | -168.4 | 17.9 | 0 | 0 | 0 | 0 | 116.7 | T586 S687 M688 | T586-T685 HydrophobicContact CG2-CG2 3.44Å; T586-T685 VanDerWaalsContact CG2-CG2 3.44Å; T685-S687 VanDerWaalsContact C-N 3.25Å; T685-S687 PolarHBondContact O-N 2.97Å; T685-S687 VanDerWaalsContact O-N 3.12Å; T685-M688 PolarHBondContact O-N 3.33Å |
| 686 | T | 52.4 | Low | 70.9 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 64% | 0.638 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -62.4 | -26.2 | -167.7 | -32.1 | 0 | 0 | 0 | 0 | 114.1 | I684 | I684-T686 PolarHBondContact O-N 2.86Š|
| 687 | S | 44.2 | Very low | 71.1 | Confident | 63 Ų | 63 | 85.8 Ų | 85.8 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -86.6 | -18.1 | -175.1 | 60.5 | 0 | 0 | 0 | 0 | 115.1 | T685 | T685-S687 VanDerWaalsContact C-N 3.25Å; T685-S687 PolarHBondContact O-N 2.97Å; T685-S687 VanDerWaalsContact O-N 3.12Å |
| 688 | M | 47.6 | Very low | 71.2 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.2 | -177.3 | -64.7 | -159.3 | 73.6 | 0 | 0 | 114.3 | T586 T685 | T586-M688 HydrophobicContact CG2-SD 4.18Å; T685-M688 PolarHBondContact O-N 3.33Å |
| 689 | Q | 53.7 | Low | 71.2 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -92.2 | -7.7 | -177.4 | -65.8 | 179.4 | -4 | 0 | 0 | 113.8 | ||
| 690 | K | 57.4 | Low | 71.4 | Confident | 167 Ų | 167 | 72.7 Ų | 72.7 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -97.1 | 131.2 | 174.1 | -70 | -174.9 | 178.6 | -178.1 | 0 | 109.5 | T692 | K690-T692 PolarHBondContact O-N 2.81Š|
| 691 | D | 62.7 | Low | 71.5 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 121.9 | 171.9 | -78.8 | 0 | 0 | 0 | 0 | 110.5 | R445 M446 K449 M696 | R445-D691 IonicContact CZ-OD1 3.5Å; R445-D691 IonicContact CZ-OD2 2.79Å; R445-D691 IonicContact NH1-OD1 3.83Å; R445-D691 PolarHBondContact NH1-OD1 3.29Å; R445-D691 IonicContact NH1-OD2 2.8Å; R445-D691 PolarHBondContact NH1-OD2 2.92Å; R445-D691 IonicContact NH2-OD1 3.09Å; R445-D691 IonicContact NH2-OD2 3.07Å; R445-D691 PolarHBondContact NH2-OD2 3.4Å; M446-D691 WeakPolarHBondContact CE-OD2 3.38Å; K449-D691 IonicContact NZ-OD1 3.39Å; K449-D691 PolarHBondContact NZ-OD1 3.39Å; D691-M696 HydrophobicContact CB-CE 3.47Å; D691-M696 VanDerWaalsContact CB-CE 3.47Å; D691-M696 HydrophobicContact CB-CG 4.3Å |
| 692 | T | 69.6 | Low | 71.6 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 150.4 | 169.4 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | K690 Q694 E695 M696 | K690-T692 PolarHBondContact O-N 2.81Å; T692-Q694 PolarHBondContact O-N 2.99Å; T692-Q694 VanDerWaalsContact O-N 3.13Å; T692-E695 WeakPolarHBondContact O-CB 3.37Å; T692-E695 PolarHBondContact O-N 3.35Å; T692-E695 WeakPolarHBondContact OG1-CG 3.42Å; T692-E695 PolarHBondContact OG1-N 3.3Å; T692-M696 PolarHBondContact O-N 2.94Å |
| 693 | P | 73.3 | Confident | 71.8 | Confident | 114 Ų | 114 | 67.3 Ų | 67.3 | 74% | 0.74 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -53.1 | -33.5 | 172.4 | -25.4 | 33.7 | 0 | 0 | 0 | 112.4 | M696 E697 | P693-M696 PolarHBondContact O-N 3.38Å; P693-E697 PolarHBondContact O-N 3.42Å; P693-E697 VanDerWaalsContact O-N 3.09Å |
| 694 | Q | 75.9 | Confident | 72.1 | Confident | 134 Ų | 134 | 65.8 Ų | 65.8 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 176.1 | -171.5 | 176.7 | 2.5 | 0 | 0 | 112.8 | T692 M696 E697 Q698 | T692-Q694 PolarHBondContact O-N 2.99Å; T692-Q694 VanDerWaalsContact O-N 3.13Å; Q694-M696 VanDerWaalsContact C-N 3.3Å; Q694-M696 PolarHBondContact O-N 2.9Å; Q694-E697 PolarHBondContact O-N 3.08Å; Q694-Q698 WeakPolarHBondContact O-CG 3.48Å; Q694-Q698 PolarHBondContact O-N 3.41Å |
| 695 | E | 75.9 | Confident | 72.7 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 174.8 | -81.6 | 175.4 | -138.5 | 0 | 0 | 112.2 | R445 K449 T692 T699 | R445-E695 IonicContact NH1-OE2 2.77Å; R445-E695 PolarHBondContact NH1-OE2 3.47Å; R445-E695 VanDerWaalsContact NH1-OE2 3.09Å; K449-E695 IonicContact NZ-OE2 2.9Å; K449-E695 PolarHBondContact NZ-OE2 3Å; T692-E695 WeakPolarHBondContact O-CB 3.37Å; T692-E695 PolarHBondContact O-N 3.35Å; T692-E695 WeakPolarHBondContact OG1-CG 3.42Å; T692-E695 PolarHBondContact OG1-N 3.3Å; E695-T699 WeakPolarHBondContact O-CB 3.39Å; E695-T699 PolarHBondContact O-N 3.32Å; E695-T699 PolarHBondContact O-OG1 3.31Å |
| 696 | M | 80.1 | Confident | 74.1 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 19% | 0.187 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.9 | -62.8 | -171 | -177.4 | 0 | 0 | 111.2 | F442 D691 T692 P693 Q694 T699 R700 | F442-M696 HydrophobicContact CE1-CB 4.38Å; F442-M696 HydrophobicContact CE1-CG 4.37Å; D691-M696 HydrophobicContact CB-CE 3.47Å; D691-M696 VanDerWaalsContact CB-CE 3.47Å; D691-M696 HydrophobicContact CB-CG 4.3Å; T692-M696 PolarHBondContact O-N 2.94Å; P693-M696 PolarHBondContact O-N 3.38Å; Q694-M696 VanDerWaalsContact C-N 3.3Å; Q694-M696 PolarHBondContact O-N 2.9Å; M696-T699 WeakPolarHBondContact O-CB 3.48Å; M696-T699 PolarHBondContact O-N 2.89Å; M696-R700 WeakPolarHBondContact O-CG 3.24Å; M696-R700 PolarHBondContact O-N 3.01Å |
| 697 | E | 82.9 | Confident | 75.9 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.6 | -168.6 | 58.5 | -152 | 0 | 0 | 112 | P693 Q694 T699 R700 S701 | P693-E697 PolarHBondContact O-N 3.42Å; P693-E697 VanDerWaalsContact O-N 3.09Å; Q694-E697 PolarHBondContact O-N 3.08Å; E697-T699 VanDerWaalsContact C-N 3.3Å; E697-T699 PolarHBondContact O-N 2.95Å; E697-R700 WeakPolarHBondContact O-CB 3.46Å; E697-R700 PolarHBondContact O-N 3.49Å; E697-R700 VanDerWaalsContact O-N 3.12Å; E697-S701 PolarHBondContact O-N 2.92Å |
| 698 | Q | 83.7 | Confident | 78.2 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 173.9 | -72.9 | 173 | -7.6 | 0 | 0 | 112 | Q694 R700 S701 A702 | Q694-Q698 WeakPolarHBondContact O-CG 3.48Å; Q694-Q698 PolarHBondContact O-N 3.41Å; Q698-R700 VanDerWaalsContact C-N 3.27Å; Q698-R700 PolarHBondContact O-N 3.44Å; Q698-S701 PolarHBondContact O-N 3.22Å; Q698-A702 PolarHBondContact O-N 3.39Å |
| 699 | T | 83.5 | Confident | 80.3 | Confident | 17 Ų | 17 | 73.5 Ų | 73.5 | 10% | 0.104 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 175.7 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | K441 F442 R445 E695 M696 E697 A702 V703 | K441-T699 HydrophobicContact CB-CG2 4.18Å; F442-T699 HydrophobicContact CD1-CG2 4.1Å; F442-T699 HydrophobicContact CD2-CG2 4.3Å; F442-T699 HydrophobicContact CE1-CG2 3.99Å; F442-T699 HydrophobicContact CE2-CG2 4.19Å; F442-T699 HydrophobicContact CG-CG2 4.25Å; F442-T699 HydrophobicContact CZ-CG2 4.03Å; R445-T699 PolarHBondContact NE-OG1 3.48Å; E695-T699 WeakPolarHBondContact O-CB 3.39Å; E695-T699 PolarHBondContact O-N 3.32Å; E695-T699 PolarHBondContact O-OG1 3.31Å; M696-T699 WeakPolarHBondContact O-CB 3.48Å; M696-T699 PolarHBondContact O-N 2.89Å; E697-T699 VanDerWaalsContact C-N 3.3Å; E697-T699 PolarHBondContact O-N 2.95Å; T699-A702 PolarHBondContact O-N 2.87Å; T699-V703 WeakPolarHBondContact O-CG2 3.4Å; T699-V703 PolarHBondContact O-N 2.79Å; T699-V703 VanDerWaalsContact O-N 3.15Å |
| 700 | R | 84.8 | Confident | 82.1 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 177.6 | -70.6 | 173 | 177.9 | -160.7 | -1.1 | 112.2 | E397 F442 M696 E697 Q698 A702 V703 D704 | E397-R700 IonicContact OE2-CZ 3.76Å; E397-R700 IonicContact OE2-NE 2.78Å; E397-R700 IonicContact OE2-NH2 2.69Å; E397-R700 PolarHBondContact OE2-NH2 3.44Å; F442-R700 HydrophobicContact CE2-CG 4.31Å; F442-R700 HydrophobicContact CZ-CG 4.15Å; M696-R700 WeakPolarHBondContact O-CG 3.24Å; M696-R700 PolarHBondContact O-N 3.01Å; E697-R700 WeakPolarHBondContact O-CB 3.46Å; E697-R700 PolarHBondContact O-N 3.49Å; E697-R700 VanDerWaalsContact O-N 3.12Å; Q698-R700 VanDerWaalsContact C-N 3.27Å; Q698-R700 PolarHBondContact O-N 3.44Å; R700-A702 VanDerWaalsContact C-N 3.25Å; R700-A702 PolarHBondContact O-N 2.96Å; R700-V703 WeakPolarHBondContact O-CB 3.45Å; R700-V703 PolarHBondContact O-N 3.32Å; R700-D704 PolarHBondContact O-N 2.83Å; R700-D704 VanDerWaalsContact O-N 3.12Å |
| 701 | S | 86.6 | Confident | 83.9 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -41 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | E697 Q698 V703 D704 E705 | E697-S701 PolarHBondContact O-N 2.92Å; Q698-S701 PolarHBondContact O-N 3.22Å; S701-V703 VanDerWaalsContact C-N 3.32Å; S701-V703 PolarHBondContact O-N 3.42Å; S701-D704 PolarHBondContact O-N 3.5Å; S701-E705 PolarHBondContact O-N 3.45Å; S701-E705 VanDerWaalsContact O-N 3.09Å |
| 702 | A | 86.7 | Confident | 85.4 | Confident | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -32 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q698 T699 R700 D706 | Q698-A702 PolarHBondContact O-N 3.39Å; T699-A702 PolarHBondContact O-N 2.87Å; R700-A702 VanDerWaalsContact C-N 3.25Å; R700-A702 PolarHBondContact O-N 2.96Å; A702-D706 WeakPolarHBondContact O-CB 3.24Å; A702-D706 PolarHBondContact O-N 3.37Å; A702-D706 VanDerWaalsContact O-N 3.08Å |
| 703 | V | 89.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 172.1 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | V438 K441 T699 R700 S701 E705 D706 R707 | V438-V703 HydrophobicContact CG2-CG1 3.94Å; K441-V703 HydrophobicContact CB-CG2 3.79Å; K441-V703 HydrophobicContact CG-CG2 3.7Å; T699-V703 WeakPolarHBondContact O-CG2 3.4Å; T699-V703 PolarHBondContact O-N 2.79Å; T699-V703 VanDerWaalsContact O-N 3.15Å; R700-V703 WeakPolarHBondContact O-CB 3.45Å; R700-V703 PolarHBondContact O-N 3.32Å; S701-V703 VanDerWaalsContact C-N 3.32Å; S701-V703 PolarHBondContact O-N 3.42Å; V703-E705 VanDerWaalsContact C-N 3.33Å; V703-E705 PolarHBondContact O-N 3.18Å; V703-D706 PolarHBondContact O-N 2.87Å; V703-R707 HydrophobicContact CG1-CG 4.29Å; V703-R707 WeakPolarHBondContact O-CB 3.31Å; V703-R707 WeakPolarHBondContact O-CG 3.25Å; V703-R707 PolarHBondContact O-N 3Å |
| 704 | D | 87.3 | Confident | 87.5 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | -179.3 | -77.3 | -20.6 | 0 | 0 | 0 | 112.5 | R700 S701 R707 K708 M748 | R700-D704 PolarHBondContact O-N 2.83Å; R700-D704 VanDerWaalsContact O-N 3.12Å; S701-D704 PolarHBondContact O-N 3.5Å; D704-R707 PolarHBondContact O-N 2.93Å; D704-K708 WeakPolarHBondContact O-CG 3.1Å; D704-K708 PolarHBondContact O-N 3.35Å; D704-K708 VanDerWaalsContact O-N 3.1Å; D704-M748 VanDerWaalsContact O-CE 3.23Å; D704-M748 WeakPolarHBondContact O-CE 3.12Å |
| 705 | E | 88.9 | Confident | 88.4 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 173.3 | -69.3 | -172.2 | 157.4 | 0 | 0 | 112.3 | S701 V703 R707 K708 M709 | S701-E705 PolarHBondContact O-N 3.45Å; S701-E705 VanDerWaalsContact O-N 3.09Å; V703-E705 VanDerWaalsContact C-N 3.33Å; V703-E705 PolarHBondContact O-N 3.18Å; E705-R707 VanDerWaalsContact C-N 3.3Å; E705-R707 PolarHBondContact O-N 3.47Å; E705-K708 WeakPolarHBondContact O-CB 3.42Å; E705-K708 PolarHBondContact O-N 3.38Å; E705-K708 VanDerWaalsContact O-N 3.09Å; E705-M709 WeakPolarHBondContact O-CG 3.35Å; E705-M709 PolarHBondContact O-N 3.37Å |
| 706 | D | 88.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.5 | -88.5 | 28.7 | 0 | 0 | 0 | 111.7 | K441 A702 V703 K708 M709 Y710 | K441-D706 WeakPolarHBondContact CE-OD2 3.12Å; K441-D706 IonicContact NZ-OD1 3.66Å; K441-D706 PolarHBondContact NZ-OD1 3Å; K441-D706 IonicContact NZ-OD2 3.01Å; K441-D706 PolarHBondContact NZ-OD2 2.81Å; A702-D706 WeakPolarHBondContact O-CB 3.24Å; A702-D706 PolarHBondContact O-N 3.37Å; A702-D706 VanDerWaalsContact O-N 3.08Å; V703-D706 PolarHBondContact O-N 2.87Å; D706-K708 VanDerWaalsContact C-N 3.34Å; D706-K708 PolarHBondContact O-N 2.81Å; D706-M709 PolarHBondContact O-N 2.76Å; D706-Y710 WeakPolarHBondContact O-CB 3.39Å; D706-Y710 PolarHBondContact O-N 3.33Å |
| 707 | R | 92.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 56 Ų | 56 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 173.8 | -75.4 | 175.7 | 175.8 | -163.8 | -10.4 | 111.2 | D435 D437 V703 D704 E705 Y710 L711 F742 M748 | D435-R707 IonicContact OD1-CZ 3.43Å; D435-R707 IonicContact OD1-NH1 3.41Å; D435-R707 IonicContact OD1-NH2 3.72Å; D435-R707 PolarHBondContact OD1-NH2 2.72Å; D437-R707 IonicContact OD1-CZ 3.8Å; D437-R707 IonicContact OD1-NE 3.72Å; D437-R707 IonicContact OD1-NH2 2.94Å; D437-R707 PolarHBondContact OD1-NH2 3.15Å; D437-R707 WeakPolarHBondContact OD2-CG 3.26Å; D437-R707 IonicContact OD2-CZ 2.63Å; D437-R707 IonicContact OD2-NE 2.81Å; D437-R707 PolarHBondContact OD2-NE 2.8Å; D437-R707 IonicContact OD2-NH2 2.82Å; D437-R707 PolarHBondContact OD2-NH2 2.95Å; V703-R707 HydrophobicContact CG1-CG 4.29Å; V703-R707 WeakPolarHBondContact O-CB 3.31Å; V703-R707 WeakPolarHBondContact O-CG 3.25Å; V703-R707 PolarHBondContact O-N 3Å; D704-R707 PolarHBondContact O-N 2.93Å; E705-R707 VanDerWaalsContact C-N 3.3Å; E705-R707 PolarHBondContact O-N 3.47Å; R707-Y710 PolarHBondContact O-N 3.23Å; R707-L711 WeakPolarHBondContact O-CB 3.38Å; R707-L711 VanDerWaalsContact O-CG 3.23Å; R707-L711 WeakPolarHBondContact O-CG 3.23Å; R707-L711 PolarHBondContact O-N 3.49Å; R707-F742 HydrophobicContact CB-CE2 4.17Å; R707-F742 HydrophobicContact CB-CZ 3.95Å; R707-F742 HydrophobicContact CG-CD1 4.28Å; R707-F742 HydrophobicContact CG-CD2 4.16Å; R707-F742 HydrophobicContact CG-CE1 3.98Å; R707-F742 HydrophobicContact CG-CE2 3.81Å; R707-F742 HydrophobicContact CG-CG 4.39Å; R707-F742 HydrophobicContact CG-CZ 3.73Å; R707-M748 HydrophobicContact CB-CE 3.49Å; R707-M748 VanDerWaalsContact CB-CE 3.49Å; R707-M748 HydrophobicContact CB-SD 4.18Å |
| 708 | K | 91.9 | Very high | 90.5 | Very high | 96 Ų | 96 | 51 Ų | 51 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 176.8 | -68.5 | 173 | -167.6 | 165.5 | 0 | 110.9 | D704 E705 D706 L711 Q712 M748 | D704-K708 WeakPolarHBondContact O-CG 3.1Å; D704-K708 PolarHBondContact O-N 3.35Å; D704-K708 VanDerWaalsContact O-N 3.1Å; E705-K708 WeakPolarHBondContact O-CB 3.42Å; E705-K708 PolarHBondContact O-N 3.38Å; E705-K708 VanDerWaalsContact O-N 3.09Å; D706-K708 VanDerWaalsContact C-N 3.34Å; D706-K708 PolarHBondContact O-N 2.81Å; K708-L711 PolarHBondContact O-N 3.07Å; K708-Q712 WeakPolarHBondContact O-CB 3.43Å; K708-Q712 VanDerWaalsContact O-CG 3.31Å; K708-Q712 WeakPolarHBondContact O-CG 3.47Å; K708-Q712 PolarHBondContact O-N 3.36Å; K708-M748 HydrophobicContact CB-CE 4.17Å; K708-M748 HydrophobicContact CD-CE 4.43Å; K708-M748 HydrophobicContact CG-CE 3.3Å |
| 709 | M | 91.7 | Very high | 91 | Very high | 114 Ų | 114 | 46.3 Ų | 46.3 | 56% | 0.562 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.2 | -41.9 | -179.7 | -65.4 | -62.1 | 142.9 | 0 | 0 | 111.6 | E705 D706 Q712 A713 | E705-M709 WeakPolarHBondContact O-CG 3.35Å; E705-M709 PolarHBondContact O-N 3.37Å; D706-M709 PolarHBondContact O-N 2.76Å; M709-Q712 PolarHBondContact O-N 2.69Å; M709-A713 WeakPolarHBondContact O-CB 3.49Å; M709-A713 PolarHBondContact O-N 3.37Å |
| 710 | Y | 92 | Very high | 91.6 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.1 | -174.7 | -90.9 | 0 | 0 | 0 | 111.6 | D706 R707 Q712 A713 A714 F742 | D706-Y710 WeakPolarHBondContact O-CB 3.39Å; D706-Y710 PolarHBondContact O-N 3.33Å; R707-Y710 PolarHBondContact O-N 3.23Å; Y710-Q712 PolarHBondContact O-N 3.34Å; Y710-A713 PolarHBondContact O-N 3.33Å; Y710-A714 WeakPolarHBondContact O-CB 3.49Å; Y710-A714 PolarHBondContact O-N 3.45Å; Y710-F742 AromaticContact CD1-CE1 3.89Å; Y710-F742 HydrophobicContact CD1-CE1 3.89Å; Y710-F742 HydrophobicContact CD1-CZ 4.23Å; Y710-F742 HydrophobicContact CE1-CE1 4.41Å; Y710-F742 HydrophobicContact CG-CE1 4.45Å |
| 711 | L | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.7 | -69.7 | 174.8 | 0 | 0 | 0 | 111.7 | R707 K708 A713 A714 I715 V734 F742 P744 M748 I749 C752 | R707-L711 WeakPolarHBondContact O-CB 3.38Å; R707-L711 VanDerWaalsContact O-CG 3.23Å; R707-L711 WeakPolarHBondContact O-CG 3.23Å; R707-L711 PolarHBondContact O-N 3.49Å; K708-L711 PolarHBondContact O-N 3.07Å; L711-A713 PolarHBondContact O-N 2.66Å; L711-A714 PolarHBondContact O-N 2.96Å; L711-I715 WeakPolarHBondContact O-CB 3.31Å; L711-I715 WeakPolarHBondContact O-CD1 3.46Å; L711-I715 WeakPolarHBondContact O-CG1 3.37Å; L711-I715 PolarHBondContact O-N 2.97Å; L711-V734 HydrophobicContact CD2-CG1 3.66Å; L711-F742 HydrophobicContact CD2-CZ 4.13Å; L711-F742 HydrophobicContact CG-CZ 4.11Å; L711-P744 HydrophobicContact CD1-CB 4.25Å; L711-P744 HydrophobicContact CD2-CB 3.97Å; L711-M748 HydrophobicContact CD1-CB 4.34Å; L711-M748 HydrophobicContact CD1-CG 3.82Å; L711-M748 HydrophobicContact CD1-SD 3.92Å; L711-I749 HydrophobicContact CD1-CG1 4.26Å; L711-I749 HydrophobicContact CD2-CG1 4.36Å; L711-C752 HydrophobicContact CB-CB 4.46Å |
| 712 | Q | 93.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 175 | -76.3 | 178.9 | 13.4 | 0 | 0 | 111.5 | K708 M709 Y710 A714 I715 V716 C752 L756 | K708-Q712 WeakPolarHBondContact O-CB 3.43Å; K708-Q712 VanDerWaalsContact O-CG 3.31Å; K708-Q712 WeakPolarHBondContact O-CG 3.47Å; K708-Q712 PolarHBondContact O-N 3.36Å; M709-Q712 PolarHBondContact O-N 2.69Å; Y710-Q712 PolarHBondContact O-N 3.34Å; Q712-A714 VanDerWaalsContact C-N 3.35Å; Q712-A714 PolarHBondContact O-N 3.45Å; Q712-I715 PolarHBondContact O-N 3.48Å; Q712-V716 WeakPolarHBondContact O-CG2 3.3Å; Q712-V716 PolarHBondContact O-N 3.48Å; Q712-C752 HydrophobicContact CG-CB 4.08Å; Q712-L756 HydrophobicContact CB-CD1 4.38Å; Q712-L756 HydrophobicContact CB-CD2 4.24Å; Q712-L756 HydrophobicContact CB-CG 4.48Å; Q712-L756 HydrophobicContact CG-CD1 4.39Å; Q712-L756 HydrophobicContact CG-CD2 4.29Å; Q712-L756 HydrophobicContact CG-CG 4.19Å |
| 713 | A | 92.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M709 Y710 L711 R717 | M709-A713 WeakPolarHBondContact O-CB 3.49Å; M709-A713 PolarHBondContact O-N 3.37Å; Y710-A713 PolarHBondContact O-N 3.33Å; L711-A713 PolarHBondContact O-N 2.66Å; A713-R717 WeakPolarHBondContact O-CB 3.43Å; A713-R717 PolarHBondContact O-N 3.33Å |
| 714 | A | 93.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y710 L711 Q712 V716 R717 I718 Q737 | Y710-A714 WeakPolarHBondContact O-CB 3.49Å; Y710-A714 PolarHBondContact O-N 3.45Å; L711-A714 PolarHBondContact O-N 2.96Å; Q712-A714 VanDerWaalsContact C-N 3.35Å; Q712-A714 PolarHBondContact O-N 3.45Å; A714-V716 PolarHBondContact O-N 2.93Å; A714-R717 PolarHBondContact O-N 3.21Å; A714-I718 WeakPolarHBondContact O-CG1 3.3Å; A714-I718 PolarHBondContact O-N 3.33Å; A714-Q737 VanDerWaalsContact CB-OE1 3.29Å |
| 715 | I | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 177.7 | -67.5 | 160.2 | 0 | 0 | 0 | 110.5 | L711 Q712 R717 I718 M719 L730 V734 I749 C752 I753 L756 I762 | L711-I715 WeakPolarHBondContact O-CB 3.31Å; L711-I715 WeakPolarHBondContact O-CD1 3.46Å; L711-I715 WeakPolarHBondContact O-CG1 3.37Å; L711-I715 PolarHBondContact O-N 2.97Å; Q712-I715 PolarHBondContact O-N 3.48Å; I715-R717 VanDerWaalsContact C-N 3.31Å; I715-R717 PolarHBondContact O-N 3.2Å; I715-I718 PolarHBondContact O-N 3.04Å; I715-M719 HydrophobicContact CG2-CG 4.21Å; I715-M719 WeakPolarHBondContact O-CB 3.17Å; I715-M719 VanDerWaalsContact O-CG 3.3Å; I715-M719 WeakPolarHBondContact O-CG 3.17Å; I715-M719 PolarHBondContact O-N 3.27Å; I715-L730 HydrophobicContact CG2-CD2 4.34Å; I715-V734 HydrophobicContact CG1-CG2 3.69Å; I715-I749 HydrophobicContact CD1-CG2 4.47Å; I715-C752 HydrophobicContact CD1-CB 3.79Å; I715-I753 HydrophobicContact CD1-CG1 3.96Å; I715-L756 HydrophobicContact CB-CD1 3.64Å; I715-L756 HydrophobicContact CD1-CD1 4.1Å; I715-L756 HydrophobicContact CG1-CD1 4.5Å; I715-L756 HydrophobicContact CG2-CD1 3.47Å; I715-L756 VanDerWaalsContact CG2-CD1 3.47Å; I715-I762 HydrophobicContact CG2-CD1 4.38Å |
| 716 | V | 94.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | Q712 A714 K720 L756 Y761 Y774 | Q712-V716 WeakPolarHBondContact O-CG2 3.3Å; Q712-V716 PolarHBondContact O-N 3.48Å; A714-V716 PolarHBondContact O-N 2.93Å; V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 2.96Å; V716-L756 HydrophobicContact CG2-CD1 3.97Å; V716-L756 HydrophobicContact CG2-CD2 3.68Å; V716-L756 HydrophobicContact CG2-CG 4.46Å; V716-Y761 HydrophobicContact CG2-CD1 4.45Å; V716-Y761 HydrophobicContact CG2-CG 4.2Å; V716-Y774 HydrophobicContact CG1-CE2 4.38Å |
| 717 | R | 94.3 | Very high | 93.5 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 178.8 | -169.1 | -172.8 | -56.5 | 155.9 | -0.3 | 112.2 | A713 A714 I715 A721 | A713-R717 WeakPolarHBondContact O-CB 3.43Å; A713-R717 PolarHBondContact O-N 3.33Å; A714-R717 PolarHBondContact O-N 3.21Å; I715-R717 VanDerWaalsContact C-N 3.31Å; I715-R717 PolarHBondContact O-N 3.2Å; R717-A721 PolarHBondContact O-N 3.17Å |
| 718 | I | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 177.6 | -68.1 | 164.3 | 0 | 0 | 0 | 109.8 | A714 I715 K720 A721 R722 L730 E733 V734 | A714-I718 WeakPolarHBondContact O-CG1 3.3Å; A714-I718 PolarHBondContact O-N 3.33Å; I715-I718 PolarHBondContact O-N 3.04Å; I718-K720 PolarHBondContact O-N 3.05Å; I718-A721 PolarHBondContact O-N 3.03Å; I718-A721 VanDerWaalsContact O-N 3.16Å; I718-R722 HydrophobicContact CG2-CG 4.34Å; I718-R722 WeakPolarHBondContact O-CB 3.34Å; I718-R722 WeakPolarHBondContact O-CG 3.47Å; I718-R722 PolarHBondContact O-N 3.33Å; I718-L730 HydrophobicContact CB-CD1 4.34Å; I718-L730 HydrophobicContact CG2-CD1 3.81Å; I718-E733 HydrophobicContact CD1-CB 4.24Å; I718-E733 HydrophobicContact CD1-CG 4.05Å; I718-E733 HydrophobicContact CG1-CG 4.32Å; I718-E733 HydrophobicContact CG2-CG 4.21Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.25Å; I718-V734 HydrophobicContact CD1-CB 4.45Å; I718-V734 HydrophobicContact CD1-CG2 3.7Å |
| 719 | M | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | -178 | -72.1 | -62.2 | -59.3 | 0 | 0 | 112.5 | I715 A721 R722 K723 L725 L730 I762 Y772 Y774 | I715-M719 HydrophobicContact CG2-CG 4.21Å; I715-M719 WeakPolarHBondContact O-CB 3.17Å; I715-M719 VanDerWaalsContact O-CG 3.3Å; I715-M719 WeakPolarHBondContact O-CG 3.17Å; I715-M719 PolarHBondContact O-N 3.27Å; M719-A721 VanDerWaalsContact C-N 3.29Å; M719-A721 PolarHBondContact O-N 2.89Å; M719-R722 PolarHBondContact O-N 3.48Å; M719-K723 VanDerWaalsContact O-CA 3.26Å; M719-K723 WeakPolarHBondContact O-CA 3.19Å; M719-K723 PolarHBondContact O-N 3Å; M719-L725 HydrophobicContact SD-CB 3.95Å; M719-L730 HydrophobicContact CG-CD1 4.19Å; M719-L730 HydrophobicContact CG-CD2 4.48Å; M719-L730 HydrophobicContact SD-CD1 4.11Å; M719-L730 HydrophobicContact SD-CD2 4.18Å; M719-I762 HydrophobicContact CB-CG2 3.93Å; M719-I762 HydrophobicContact CE-CG2 4.1Å; M719-I762 HydrophobicContact CG-CG2 3.87Å; M719-Y772 WeakPolarHBondContact CE-O 3.05Å; M719-Y774 HydrophobicContact CB-CD2 3.96Å; M719-Y774 HydrophobicContact CB-CG 4.48Å; M719-Y774 WeakPolarHBondContact O-CB 3.46Å |
| 720 | K | 94.4 | Very high | 93.8 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 174.8 | -176 | 173.4 | -178.6 | 174.7 | 0 | 112.6 | V716 I718 K723 Y774 | V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 2.96Å; I718-K720 PolarHBondContact O-N 3.05Å; K720-K723 VanDerWaalsContact O-CE 3.29Å; K720-K723 WeakPolarHBondContact O-CE 3Å; K720-Y774 HydrophobicContact CB-CD1 4.46Å; K720-Y774 HydrophobicContact CB-CE1 3.95Å; K720-Y774 HydrophobicContact CB-CE2 4.07Å; K720-Y774 HydrophobicContact CG-CE1 3.82Å |
| 721 | A | 94.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 67% | 0.669 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -77.6 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R717 I718 M719 | R717-A721 PolarHBondContact O-N 3.17Å; I718-A721 PolarHBondContact O-N 3.03Å; I718-A721 VanDerWaalsContact O-N 3.16Å; M719-A721 VanDerWaalsContact C-N 3.29Å; M719-A721 PolarHBondContact O-N 2.89Å |
| 722 | R | 92.8 | Very high | 93.8 | Very high | 150 Ų | 150 | 62 Ų | 62 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -90.2 | -21.2 | -173.9 | -61.2 | -72.2 | -167.8 | -171.5 | -0.2 | 113.9 | I718 M719 V724 L725 E733 | I718-R722 HydrophobicContact CG2-CG 4.34Å; I718-R722 WeakPolarHBondContact O-CB 3.34Å; I718-R722 WeakPolarHBondContact O-CG 3.47Å; I718-R722 PolarHBondContact O-N 3.33Å; M719-R722 PolarHBondContact O-N 3.48Å; R722-V724 PolarHBondContact O-N 3.26Å; R722-L725 HydrophobicContact CB-CD1 3.48Å; R722-L725 VanDerWaalsContact CB-CD1 3.48Å; R722-L725 HydrophobicContact CG-CD1 3.55Å; R722-E733 IonicContact CZ-OE1 3.57Å; R722-E733 IonicContact NE-OE1 3.27Å; R722-E733 PolarHBondContact NE-OE1 3.19Å; R722-E733 IonicContact NE-OE2 3.82Å; R722-E733 IonicContact NH2-OE1 3.31Å; R722-E733 PolarHBondContact NH2-OE1 3.38Å |
| 723 | K | 92.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 63.4 | -44.7 | -176.1 | -58.3 | -61.3 | -173.4 | 176.8 | 0 | 115.5 | M719 K720 S773 Y774 | M719-K723 VanDerWaalsContact O-CA 3.26Å; M719-K723 WeakPolarHBondContact O-CA 3.19Å; M719-K723 PolarHBondContact O-N 3Å; K720-K723 VanDerWaalsContact O-CE 3.29Å; K720-K723 WeakPolarHBondContact O-CE 3Å; K723-S773 CarbonylContact O-C 3.45Å; K723-S773 WeakPolarHBondContact O-CA 3.41Å; K723-Y774 HydrophobicContact CD-CD1 4.15Å; K723-Y774 PolarHBondContact O-N 3.25Å |
| 724 | V | 92.6 | Very high | 93.9 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.3 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | R722 E771 Y772 | R722-V724 PolarHBondContact O-N 3.26Å; V724-E771 HydrophobicContact CG1-CG 3.59Å; V724-Y772 VanDerWaalsContact CA-O 3.31Å; V724-Y772 WeakPolarHBondContact CA-O 3.46Å |
| 725 | L | 94 | Very high | 93.9 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 145.2 | 178.2 | -140.4 | 106.1 | 0 | 0 | 0 | 112.1 | M719 R722 A729 L730 Y772 | M719-L725 HydrophobicContact SD-CB 3.95Å; R722-L725 HydrophobicContact CB-CD1 3.48Å; R722-L725 VanDerWaalsContact CB-CD1 3.48Å; R722-L725 HydrophobicContact CG-CD1 3.55Å; L725-A729 HydrophobicContact CD2-CB 3.73Å; L725-A729 HydrophobicContact CG-CB 4.25Å; L725-L730 HydrophobicContact CD2-CB 3.63Å; L725-L730 HydrophobicContact CD2-CD1 4.26Å; L725-Y772 PolarHBondContact N-O 3.08Å; L725-Y772 PolarHBondContact O-N 3.12Å |
| 726 | R | 94.6 | Very high | 93.7 | Very high | 179 Ų | 179 | 68.1 Ų | 68.1 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 150.2 | 175.1 | -65.8 | -174.6 | -177.7 | -176.7 | 0.5 | 111.9 | N728 A729 L730 D770 | R726-N728 PolarHBondContact O-N 3.2Å; R726-A729 HydrophobicContact CB-CB 4.47Å; R726-A729 PolarHBondContact O-N 3.11Å; R726-A729 VanDerWaalsContact O-N 3.11Å; R726-L730 PolarHBondContact O-N 3.35Å; R726-D770 CarbonylContact C-O 3.48Å; R726-D770 WeakPolarHBondContact CA-O 3.5Å |
| 727 | H | 92.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -51.6 | -53.2 | -176.7 | -178.4 | 82.2 | 0 | 0 | 0 | 113.5 | A729 L730 I731 D770 Y772 | H727-A729 VanDerWaalsContact C-N 3.34Å; H727-A729 PolarHBondContact O-N 2.96Å; H727-L730 PolarHBondContact O-N 3.23Å; H727-I731 WeakPolarHBondContact NE2-CD1 3.47Å; H727-I731 WeakPolarHBondContact O-CG1 3.33Å; H727-I731 PolarHBondContact O-N 2.97Å; H727-D770 PolarHBondContact N-O 3.2Å; H727-Y772 HydrophobicContact CB-CE2 3.85Å; H727-Y772 AromaticContact ND1-CE2 3.41Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.44Å; H727-Y772 AromaticContact ND1-CZ 3.56Å; H727-Y772 PolarHBondContact ND1-OH 3.32Å |
| 728 | N | 93.5 | Very high | 93.2 | Very high | 121 Ų | 121 | 63.3 Ų | 63.3 | 65% | 0.647 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | -179.6 | -77.3 | -28.4 | 0 | 0 | 0 | 112.6 | R726 L730 Q732 | R726-N728 PolarHBondContact O-N 3.2Å; N728-L730 VanDerWaalsContact C-N 3.32Å; N728-Q732 WeakPolarHBondContact O-CG 3.3Å; N728-Q732 PolarHBondContact O-N 2.6Å; N728-Q732 VanDerWaalsContact O-N 3.14Å |
| 729 | A | 93.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L725 R726 H727 Q732 E733 | L725-A729 HydrophobicContact CD2-CB 3.73Å; L725-A729 HydrophobicContact CG-CB 4.25Å; R726-A729 HydrophobicContact CB-CB 4.47Å; R726-A729 PolarHBondContact O-N 3.11Å; R726-A729 VanDerWaalsContact O-N 3.11Å; H727-A729 VanDerWaalsContact C-N 3.34Å; H727-A729 PolarHBondContact O-N 2.96Å; A729-Q732 PolarHBondContact O-N 3.27Å; A729-E733 PolarHBondContact O-N 3.39Å |
| 730 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | -179.4 | 178.8 | 60.7 | 0 | 0 | 0 | 110.2 | I715 I718 M719 L725 R726 H727 N728 Q732 E733 V734 I753 Y772 | I715-L730 HydrophobicContact CG2-CD2 4.34Å; I718-L730 HydrophobicContact CB-CD1 4.34Å; I718-L730 HydrophobicContact CG2-CD1 3.81Å; M719-L730 HydrophobicContact CG-CD1 4.19Å; M719-L730 HydrophobicContact CG-CD2 4.48Å; M719-L730 HydrophobicContact SD-CD1 4.11Å; M719-L730 HydrophobicContact SD-CD2 4.18Å; L725-L730 HydrophobicContact CD2-CB 3.63Å; L725-L730 HydrophobicContact CD2-CD1 4.26Å; R726-L730 PolarHBondContact O-N 3.35Å; H727-L730 PolarHBondContact O-N 3.23Å; N728-L730 VanDerWaalsContact C-N 3.32Å; L730-Q732 VanDerWaalsContact C-N 3.33Å; L730-Q732 PolarHBondContact O-N 3.19Å; L730-E733 PolarHBondContact O-N 3.38Å; L730-V734 HydrophobicContact CD1-CG2 4.07Å; L730-V734 HydrophobicContact CG-CG2 4.37Å; L730-V734 WeakPolarHBondContact O-CB 3.45Å; L730-V734 WeakPolarHBondContact O-CG2 3.41Å; L730-V734 PolarHBondContact O-N 3.45Å; L730-I753 HydrophobicContact CD2-CD1 3.96Å; L730-I753 HydrophobicContact CD2-CG1 4.35Å; L730-Y772 HydrophobicContact CD2-CD2 3.82Å; L730-Y772 HydrophobicContact CD2-CE2 4.2Å |
| 731 | I | 94.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 176.2 | -71.1 | 172.8 | 0 | 0 | 0 | 110.7 | H727 V734 I735 I746 I749 | H727-I731 WeakPolarHBondContact NE2-CD1 3.47Å; H727-I731 WeakPolarHBondContact O-CG1 3.33Å; H727-I731 PolarHBondContact O-N 2.97Å; I731-V734 PolarHBondContact O-N 3.25Å; I731-I735 HydrophobicContact CG2-CD1 3.66Å; I731-I735 HydrophobicContact CG2-CG1 4.39Å; I731-I735 WeakPolarHBondContact O-CB 3.3Å; I731-I735 WeakPolarHBondContact O-CG1 3.37Å; I731-I735 PolarHBondContact O-N 2.87Å; I731-I746 HydrophobicContact CD1-CG2 4.22Å; I731-I746 HydrophobicContact CG2-CG1 4.41Å; I731-I749 HydrophobicContact CG1-CG2 4.15Å; I731-I749 HydrophobicContact CG2-CD1 4.38Å |
| 732 | Q | 93.8 | Very high | 91.3 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | -179.8 | -66.3 | -58.5 | -40.9 | 0 | 0 | 112.6 | N728 A729 L730 I735 N736 | N728-Q732 WeakPolarHBondContact O-CG 3.3Å; N728-Q732 PolarHBondContact O-N 2.6Å; N728-Q732 VanDerWaalsContact O-N 3.14Å; A729-Q732 PolarHBondContact O-N 3.27Å; L730-Q732 VanDerWaalsContact C-N 3.33Å; L730-Q732 PolarHBondContact O-N 3.19Å; Q732-I735 PolarHBondContact O-N 3.17Å; Q732-N736 WeakPolarHBondContact O-CB 3.23Å; Q732-N736 PolarHBondContact O-N 3Å |
| 733 | E | 94.2 | Very high | 91 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 178 | -160.9 | 164.6 | -163.3 | 0 | 0 | 111.4 | I718 R722 A729 L730 N736 Q737 | I718-E733 HydrophobicContact CD1-CB 4.24Å; I718-E733 HydrophobicContact CD1-CG 4.05Å; I718-E733 HydrophobicContact CG1-CG 4.32Å; I718-E733 HydrophobicContact CG2-CG 4.21Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.25Å; R722-E733 IonicContact CZ-OE1 3.57Å; R722-E733 IonicContact NE-OE1 3.27Å; R722-E733 PolarHBondContact NE-OE1 3.19Å; R722-E733 IonicContact NE-OE2 3.82Å; R722-E733 IonicContact NH2-OE1 3.31Å; R722-E733 PolarHBondContact NH2-OE1 3.38Å; A729-E733 PolarHBondContact O-N 3.39Å; L730-E733 PolarHBondContact O-N 3.38Å; E733-N736 PolarHBondContact O-N 2.97Å; E733-Q737 WeakPolarHBondContact O-CB 3.27Å; E733-Q737 PolarHBondContact O-N 3.24Å |
| 734 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 111 | L711 I715 I718 L730 I731 N736 Q737 S738 I749 | L711-V734 HydrophobicContact CD2-CG1 3.66Å; I715-V734 HydrophobicContact CG1-CG2 3.69Å; I718-V734 HydrophobicContact CD1-CB 4.45Å; I718-V734 HydrophobicContact CD1-CG2 3.7Å; L730-V734 HydrophobicContact CD1-CG2 4.07Å; L730-V734 HydrophobicContact CG-CG2 4.37Å; L730-V734 WeakPolarHBondContact O-CB 3.45Å; L730-V734 WeakPolarHBondContact O-CG2 3.41Å; L730-V734 PolarHBondContact O-N 3.45Å; I731-V734 PolarHBondContact O-N 3.25Å; V734-N736 VanDerWaalsContact C-N 3.33Å; V734-N736 PolarHBondContact O-N 2.92Å; V734-Q737 PolarHBondContact O-N 2.83Å; V734-S738 PolarHBondContact O-N 3.5Å; V734-S738 PolarHBondContact O-OG 3.16Å; V734-I749 HydrophobicContact CB-CD1 4.44Å; V734-I749 HydrophobicContact CG1-CD1 3.9Å; V734-I749 HydrophobicContact CG1-CG1 4.12Å; V734-I749 HydrophobicContact CG1-CG2 4.39Å |
| 735 | I | 92.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 17% | 0.174 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 177.2 | -71.4 | 165.7 | 0 | 0 | 0 | 110.3 | I731 Q732 Q737 S738 K739 P744 I749 | I731-I735 HydrophobicContact CG2-CD1 3.66Å; I731-I735 HydrophobicContact CG2-CG1 4.39Å; I731-I735 WeakPolarHBondContact O-CB 3.3Å; I731-I735 WeakPolarHBondContact O-CG1 3.37Å; I731-I735 PolarHBondContact O-N 2.87Å; Q732-I735 PolarHBondContact O-N 3.17Å; I735-Q737 VanDerWaalsContact C-N 3.33Å; I735-Q737 PolarHBondContact O-N 3.17Å; I735-S738 WeakPolarHBondContact CA-OG 3.41Å; I735-S738 PolarHBondContact O-N 2.85Å; I735-S738 PolarHBondContact O-OG 2.85Å; I735-K739 WeakPolarHBondContact O-CB 3.42Å; I735-K739 PolarHBondContact O-N 3.37Å; I735-P744 HydrophobicContact CB-CG 4.49Å; I735-P744 HydrophobicContact CG1-CG 3.92Å; I735-I749 HydrophobicContact CG1-CD1 3.94Å |
| 736 | N | 90.8 | Very high | 90.4 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 179.9 | -82 | -14.2 | 0 | 0 | 0 | 112.5 | Q732 E733 V734 | Q732-N736 WeakPolarHBondContact O-CB 3.23Å; Q732-N736 PolarHBondContact O-N 3Å; E733-N736 PolarHBondContact O-N 2.97Å; V734-N736 VanDerWaalsContact C-N 3.33Å; V734-N736 PolarHBondContact O-N 2.92Å |
| 737 | Q | 90.1 | Very high | 90.3 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 177.1 | -171.4 | 170.4 | 52.2 | 0 | 0 | 112.5 | A714 E733 V734 I735 | A714-Q737 VanDerWaalsContact CB-OE1 3.29Å; E733-Q737 WeakPolarHBondContact O-CB 3.27Å; E733-Q737 PolarHBondContact O-N 3.24Å; V734-Q737 PolarHBondContact O-N 2.83Å; I735-Q737 VanDerWaalsContact C-N 3.33Å; I735-Q737 PolarHBondContact O-N 3.17Å |
| 738 | S | 89.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -84.1 | -19 | -179.3 | 53.5 | 0 | 0 | 0 | 0 | 115.1 | V734 I735 A740 R741 F742 P744 | V734-S738 PolarHBondContact O-N 3.5Å; V734-S738 PolarHBondContact O-OG 3.16Å; I735-S738 WeakPolarHBondContact CA-OG 3.41Å; I735-S738 PolarHBondContact O-N 2.85Å; I735-S738 PolarHBondContact O-OG 2.85Å; S738-A740 PolarHBondContact O-N 3.05Å; S738-R741 PolarHBondContact O-N 3.09Å; S738-F742 CarbonylContact C-O 3.39Å; S738-F742 PolarHBondContact O-N 3Å; S738-F742 VanDerWaalsContact O-N 3.08Å; S738-P744 WeakPolarHBondContact OG-CD 3.09Å; S738-P744 WeakPolarHBondContact OG-CG 3.49Å |
| 739 | K | 84.4 | Confident | 90.2 | Very high | 135 Ų | 135 | 49.1 Ų | 49.1 | 59% | 0.587 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.3 | -170 | -168.7 | 175.8 | -177 | 179.2 | 0 | 114.5 | I735 R741 | I735-K739 WeakPolarHBondContact O-CB 3.42Å; I735-K739 PolarHBondContact O-N 3.37Å; K739-R741 VanDerWaalsContact C-N 3.26Å; K739-R741 PolarHBondContact O-N 2.82Å |
| 740 | A | 80.6 | Confident | 90.2 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S738 | S738-A740 PolarHBondContact O-N 3.05Š|
| 741 | R | 84.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -46 | -177 | -71.5 | -167 | 161.7 | -141.5 | -1.5 | 113.5 | K436 D437 E476 S738 K739 | K436-R741 PolarHBondContact N-O 3.41Å; K436-R741 VanDerWaalsContact N-O 3.1Å; D437-R741 PolarHBondContact N-O 3.32Å; E476-R741 IonicContact OE1-CZ 3.27Å; E476-R741 IonicContact OE1-NH2 3.91Å; E476-R741 PolarHBondContact OE1-NH2 3.04Å; E476-R741 IonicContact OE2-NH2 2.76Å; S738-R741 PolarHBondContact O-N 3.09Å; K739-R741 VanDerWaalsContact C-N 3.26Å; K739-R741 PolarHBondContact O-N 2.82Å |
| 742 | F | 89 | Confident | 90.2 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | trans | -164.5 | 163.3 | 178.7 | 64.2 | -82.7 | 0 | 0 | 0 | 110.5 | D434 D437 R707 Y710 L711 S738 P744 | D434-F742 WeakPolarHBondContact O-CA 3.42Å; D437-F742 WeakPolarHBondContact OD2-CD1 3.34Å; R707-F742 HydrophobicContact CB-CE2 4.17Å; R707-F742 HydrophobicContact CB-CZ 3.95Å; R707-F742 HydrophobicContact CG-CD1 4.28Å; R707-F742 HydrophobicContact CG-CD2 4.16Å; R707-F742 HydrophobicContact CG-CE1 3.98Å; R707-F742 HydrophobicContact CG-CE2 3.81Å; R707-F742 HydrophobicContact CG-CG 4.39Å; R707-F742 HydrophobicContact CG-CZ 3.73Å; Y710-F742 AromaticContact CD1-CE1 3.89Å; Y710-F742 HydrophobicContact CD1-CE1 3.89Å; Y710-F742 HydrophobicContact CD1-CZ 4.23Å; Y710-F742 HydrophobicContact CE1-CE1 4.41Å; Y710-F742 HydrophobicContact CG-CE1 4.45Å; L711-F742 HydrophobicContact CD2-CZ 4.13Å; L711-F742 HydrophobicContact CG-CZ 4.11Å; S738-F742 CarbonylContact C-O 3.39Å; S738-F742 PolarHBondContact O-N 3Å; S738-F742 VanDerWaalsContact O-N 3.08Å; F742-P744 HydrophobicContact CD2-CB 4.21Å; F742-P744 HydrophobicContact CE2-CB 3.68Å; F742-P744 VanDerWaalsContact O-CD 3.28Å; F742-P744 WeakPolarHBondContact O-CD 3.49Å | ||
| 743 | N | 85.4 | Confident | 90.2 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | trans | -92.1 | 104.1 | 173 | -76 | -27.7 | 0 | 0 | 0 | 109.8 | D434 | D434-N743 PolarHBondContact OD2-ND2 3.42Š| ||
| 744 | P | 88.1 | Confident | 90.2 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | trans | -71.6 | 142.7 | -174.9 | 32.3 | -39.5 | 0 | 0 | 0 | 111.9 | L711 I735 S738 F742 I749 | L711-P744 HydrophobicContact CD1-CB 4.25Å; L711-P744 HydrophobicContact CD2-CB 3.97Å; I735-P744 HydrophobicContact CB-CG 4.49Å; I735-P744 HydrophobicContact CG1-CG 3.92Å; S738-P744 WeakPolarHBondContact OG-CD 3.09Å; S738-P744 WeakPolarHBondContact OG-CG 3.49Å; F742-P744 HydrophobicContact CD2-CB 4.21Å; F742-P744 HydrophobicContact CE2-CB 3.68Å; F742-P744 VanDerWaalsContact O-CD 3.28Å; F742-P744 WeakPolarHBondContact O-CD 3.49Å; P744-I749 HydrophobicContact CB-CD1 4.07Å; P744-I749 HydrophobicContact CB-CG1 4.21Å; P744-I749 HydrophobicContact CG-CD1 3.95Å | ||
| 745 | S | 87.9 | Confident | 90.2 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | trans | -72.4 | 131.6 | 169.2 | 175 | 0 | 0 | 0 | 0 | 110.6 | S747 M748 I749 | S745-S747 PolarHBondContact O-N 3.45Å; S745-S747 PolarHBondContact OG-N 3.37Å; S745-M748 WeakPolarHBondContact O-CA 3.04Å; S745-M748 VanDerWaalsContact O-CB 3.29Å; S745-M748 WeakPolarHBondContact O-CB 3.42Å; S745-M748 PolarHBondContact O-N 3.46Å; S745-I749 PolarHBondContact O-N 3Å; S745-I749 VanDerWaalsContact O-N 3.11Å | ||
| 746 | I | 91.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.1 | -35.9 | 175.4 | -62.3 | 172.1 | 0 | 0 | 0 | 111 | I731 M748 I749 K750 | I731-I746 HydrophobicContact CD1-CG2 4.22Å; I731-I746 HydrophobicContact CG2-CG1 4.41Å; I746-M748 VanDerWaalsContact C-N 3.28Å; I746-M748 PolarHBondContact O-N 2.91Å; I746-I749 PolarHBondContact O-N 3.19Å; I746-K750 HydrophobicContact CG2-CD 4.41Å; I746-K750 WeakPolarHBondContact O-CG 3.5Å; I746-K750 PolarHBondContact O-N 2.87Å |
| 747 | S | 92.2 | Very high | 90.4 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 47% | 0.469 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.8 | -179 | 0 | 0 | 0 | 0 | 112.1 | S745 K751 | S745-S747 PolarHBondContact O-N 3.45Å; S745-S747 PolarHBondContact OG-N 3.37Å; S747-K751 WeakPolarHBondContact O-CG 3.27Å; S747-K751 PolarHBondContact O-N 2.94Å; S747-K751 VanDerWaalsContact O-N 3.13Å |
| 748 | M | 90.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 15% | 0.148 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 178.2 | -167.6 | 174.7 | -166.5 | 0 | 0 | 111.8 | D704 R707 K708 L711 S745 I746 K750 K751 C752 | D704-M748 VanDerWaalsContact O-CE 3.23Å; D704-M748 WeakPolarHBondContact O-CE 3.12Å; R707-M748 HydrophobicContact CB-CE 3.49Å; R707-M748 VanDerWaalsContact CB-CE 3.49Å; R707-M748 HydrophobicContact CB-SD 4.18Å; K708-M748 HydrophobicContact CB-CE 4.17Å; K708-M748 HydrophobicContact CD-CE 4.43Å; K708-M748 HydrophobicContact CG-CE 3.3Å; L711-M748 HydrophobicContact CD1-CB 4.34Å; L711-M748 HydrophobicContact CD1-CG 3.82Å; L711-M748 HydrophobicContact CD1-SD 3.92Å; S745-M748 WeakPolarHBondContact O-CA 3.04Å; S745-M748 VanDerWaalsContact O-CB 3.29Å; S745-M748 WeakPolarHBondContact O-CB 3.42Å; S745-M748 PolarHBondContact O-N 3.46Å; I746-M748 VanDerWaalsContact C-N 3.28Å; I746-M748 PolarHBondContact O-N 2.91Å; M748-K750 VanDerWaalsContact C-N 3.32Å; M748-K750 PolarHBondContact O-N 3.38Å; M748-K751 PolarHBondContact O-N 3.48Å; M748-C752 PolarHBondContact O-N 3.39Å; M748-C752 PolarHBondContact O-SG 3.48Å; M748-C752 VanDerWaalsContact O-SG 3.38Å |
| 749 | I | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.4 | -61.1 | 172.2 | 0 | 0 | 0 | 110.1 | L711 I715 I731 V734 I735 P744 S745 I746 K751 C752 I753 | L711-I749 HydrophobicContact CD1-CG1 4.26Å; L711-I749 HydrophobicContact CD2-CG1 4.36Å; I715-I749 HydrophobicContact CD1-CG2 4.47Å; I731-I749 HydrophobicContact CG1-CG2 4.15Å; I731-I749 HydrophobicContact CG2-CD1 4.38Å; V734-I749 HydrophobicContact CB-CD1 4.44Å; V734-I749 HydrophobicContact CG1-CD1 3.9Å; V734-I749 HydrophobicContact CG1-CG1 4.12Å; V734-I749 HydrophobicContact CG1-CG2 4.39Å; I735-I749 HydrophobicContact CG1-CD1 3.94Å; P744-I749 HydrophobicContact CB-CD1 4.07Å; P744-I749 HydrophobicContact CB-CG1 4.21Å; P744-I749 HydrophobicContact CG-CD1 3.95Å; S745-I749 PolarHBondContact O-N 3Å; S745-I749 VanDerWaalsContact O-N 3.11Å; I746-I749 PolarHBondContact O-N 3.19Å; I749-K751 PolarHBondContact O-N 3.32Å; I749-C752 WeakPolarHBondContact O-CB 3.33Å; I749-C752 PolarHBondContact O-N 2.78Å; I749-C752 VanDerWaalsContact O-N 3.14Å; I749-I753 HydrophobicContact CG2-CD1 4.08Å; I749-I753 WeakPolarHBondContact O-CG1 3.32Å; I749-I753 PolarHBondContact O-N 3.41Å |
| 750 | K | 92.9 | Very high | 91.1 | Very high | 101 Ų | 101 | 61 Ų | 61 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 176.9 | -72.2 | -179.5 | 176.8 | -171.7 | 0 | 111.9 | I746 M748 C752 I753 E754 | I746-K750 HydrophobicContact CG2-CD 4.41Å; I746-K750 WeakPolarHBondContact O-CG 3.5Å; I746-K750 PolarHBondContact O-N 2.87Å; M748-K750 VanDerWaalsContact C-N 3.32Å; M748-K750 PolarHBondContact O-N 3.38Å; K750-C752 VanDerWaalsContact C-N 3.32Å; K750-C752 PolarHBondContact O-N 3.38Å; K750-I753 WeakPolarHBondContact O-CB 3.48Å; K750-I753 PolarHBondContact O-N 2.94Å; K750-E754 PolarHBondContact O-N 3.21Å; K750-E754 VanDerWaalsContact O-N 3.14Å |
| 751 | K | 94.3 | Very high | 91.5 | Very high | 146 Ų | 146 | 62 Ų | 62 | 64% | 0.635 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 175.4 | -71.3 | -179.6 | -177.6 | -174.6 | 0 | 112.5 | S747 M748 I749 I753 E754 V755 | S747-K751 WeakPolarHBondContact O-CG 3.27Å; S747-K751 PolarHBondContact O-N 2.94Å; S747-K751 VanDerWaalsContact O-N 3.13Å; M748-K751 PolarHBondContact O-N 3.48Å; I749-K751 PolarHBondContact O-N 3.32Å; K751-I753 VanDerWaalsContact C-N 3.34Å; K751-E754 PolarHBondContact O-N 3.11Å; K751-V755 WeakPolarHBondContact O-CG2 3.42Å; K751-V755 PolarHBondContact O-N 2.89Å; K751-V755 VanDerWaalsContact O-N 3.15Å |
| 752 | C | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 176.7 | -72 | 0 | 0 | 0 | 0 | 112.5 | L711 Q712 I715 M748 I749 K750 L756 | L711-C752 HydrophobicContact CB-CB 4.46Å; Q712-C752 HydrophobicContact CG-CB 4.08Å; I715-C752 HydrophobicContact CD1-CB 3.79Å; M748-C752 PolarHBondContact O-N 3.39Å; M748-C752 PolarHBondContact O-SG 3.48Å; M748-C752 VanDerWaalsContact O-SG 3.38Å; I749-C752 WeakPolarHBondContact O-CB 3.33Å; I749-C752 PolarHBondContact O-N 2.78Å; I749-C752 VanDerWaalsContact O-N 3.14Å; K750-C752 VanDerWaalsContact C-N 3.32Å; K750-C752 PolarHBondContact O-N 3.38Å; C752-L756 VanDerWaalsContact O-CG 3.3Å; C752-L756 WeakPolarHBondContact O-CG 3.49Å; C752-L756 PolarHBondContact O-N 3.49Å; C752-L756 VanDerWaalsContact O-N 3.09Å |
| 753 | I | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.7 | -69.6 | 168.9 | 0 | 0 | 0 | 110.2 | I715 L730 I749 K750 K751 V755 L756 I757 I762 Y772 | I715-I753 HydrophobicContact CD1-CG1 3.96Å; L730-I753 HydrophobicContact CD2-CD1 3.96Å; L730-I753 HydrophobicContact CD2-CG1 4.35Å; I749-I753 HydrophobicContact CG2-CD1 4.08Å; I749-I753 WeakPolarHBondContact O-CG1 3.32Å; I749-I753 PolarHBondContact O-N 3.41Å; K750-I753 WeakPolarHBondContact O-CB 3.48Å; K750-I753 PolarHBondContact O-N 2.94Å; K751-I753 VanDerWaalsContact C-N 3.34Å; I753-V755 VanDerWaalsContact C-N 3.32Å; I753-V755 PolarHBondContact O-N 2.83Å; I753-L756 PolarHBondContact O-N 3.13Å; I753-I757 HydrophobicContact CG2-CD1 3.96Å; I753-I757 HydrophobicContact CG2-CG1 4.44Å; I753-I757 WeakPolarHBondContact O-CG1 3.45Å; I753-I757 PolarHBondContact O-N 3.43Å; I753-I762 HydrophobicContact CG2-CD1 3.9Å; I753-Y772 HydrophobicContact CD1-CE2 4.29Å; I753-Y772 HydrophobicContact CG2-CE1 3.89Å; I753-Y772 HydrophobicContact CG2-CE2 4.27Å |
| 754 | E | 93.7 | Very high | 92.4 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 179 | -60.8 | -55.3 | 130 | 0 | 0 | 111.7 | K750 K751 L756 I757 D758 R764 | K750-E754 PolarHBondContact O-N 3.21Å; K750-E754 VanDerWaalsContact O-N 3.14Å; K751-E754 PolarHBondContact O-N 3.11Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.19Å; E754-I757 WeakPolarHBondContact O-CB 3.04Å; E754-I757 PolarHBondContact O-N 3.14Å; E754-I757 VanDerWaalsContact O-N 3.11Å; E754-D758 PolarHBondContact O-N 3.39Å; E754-R764 VanDerWaalsContact CD-NH2 3.3Å; E754-R764 IonicContact OE1-CZ 3.87Å; E754-R764 IonicContact OE1-NH2 2.75Å; E754-R764 PolarHBondContact OE1-NH2 3.37Å; E754-R764 IonicContact OE2-NH2 3.09Å; E754-R764 PolarHBondContact OE2-NH2 3.02Å; E754-R764 VanDerWaalsContact OE2-NH2 3.09Å |
| 755 | V | 94.4 | Very high | 92.3 | Very high | 55 Ų | 55 | 67 Ų | 67 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -33 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | K751 I753 K759 | K751-V755 WeakPolarHBondContact O-CG2 3.42Å; K751-V755 PolarHBondContact O-N 2.89Å; K751-V755 VanDerWaalsContact O-N 3.15Å; I753-V755 VanDerWaalsContact C-N 3.32Å; I753-V755 PolarHBondContact O-N 2.83Å; V755-K759 HydrophobicContact CG1-CD 4.26Å; V755-K759 WeakPolarHBondContact O-CB 3.46Å; V755-K759 VanDerWaalsContact O-CG 3.27Å; V755-K759 WeakPolarHBondContact O-CG 3.36Å; V755-K759 PolarHBondContact O-N 3.39Å; V755-K759 VanDerWaalsContact O-N 3.14Å |
| 756 | L | 94.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -78.4 | -25.9 | 177.5 | -72.2 | 173.5 | 0 | 0 | 0 | 113 | Q712 I715 V716 C752 I753 E754 Q760 Y761 I762 | Q712-L756 HydrophobicContact CB-CD1 4.38Å; Q712-L756 HydrophobicContact CB-CD2 4.24Å; Q712-L756 HydrophobicContact CB-CG 4.48Å; Q712-L756 HydrophobicContact CG-CD1 4.39Å; Q712-L756 HydrophobicContact CG-CD2 4.29Å; Q712-L756 HydrophobicContact CG-CG 4.19Å; I715-L756 HydrophobicContact CB-CD1 3.64Å; I715-L756 HydrophobicContact CD1-CD1 4.1Å; I715-L756 HydrophobicContact CG1-CD1 4.5Å; I715-L756 HydrophobicContact CG2-CD1 3.47Å; I715-L756 VanDerWaalsContact CG2-CD1 3.47Å; V716-L756 HydrophobicContact CG2-CD1 3.97Å; V716-L756 HydrophobicContact CG2-CD2 3.68Å; V716-L756 HydrophobicContact CG2-CG 4.46Å; C752-L756 VanDerWaalsContact O-CG 3.3Å; C752-L756 WeakPolarHBondContact O-CG 3.49Å; C752-L756 PolarHBondContact O-N 3.49Å; C752-L756 VanDerWaalsContact O-N 3.09Å; I753-L756 PolarHBondContact O-N 3.13Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.19Å; L756-Q760 PolarHBondContact O-N 2.83Å; L756-Y761 HydrophobicContact CD2-CD2 3.77Å; L756-Y761 HydrophobicContact CD2-CG 4.34Å; L756-Y761 PolarHBondContact O-N 2.66Å; L756-I762 HydrophobicContact CB-CD1 3.81Å; L756-I762 HydrophobicContact CB-CG1 3.84Å |
| 757 | I | 92.9 | Very high | 90.9 | Very high | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.3 | -48.7 | 169.2 | -65.2 | 168.5 | 0 | 0 | 0 | 109.4 | I753 E754 K759 Q760 I762 R764 Y772 | I753-I757 HydrophobicContact CG2-CD1 3.96Å; I753-I757 HydrophobicContact CG2-CG1 4.44Å; I753-I757 WeakPolarHBondContact O-CG1 3.45Å; I753-I757 PolarHBondContact O-N 3.43Å; E754-I757 WeakPolarHBondContact O-CB 3.04Å; E754-I757 PolarHBondContact O-N 3.14Å; E754-I757 VanDerWaalsContact O-N 3.11Å; I757-K759 PolarHBondContact O-N 3.43Å; I757-Q760 WeakPolarHBondContact O-CA 3.48Å; I757-Q760 PolarHBondContact O-N 3.2Å; I757-I762 WeakPolarHBondContact CA-O 3.13Å; I757-I762 HydrophobicContact CG1-CD1 4.02Å; I757-I762 HydrophobicContact CG1-CG1 3.76Å; I757-R764 HydrophobicContact CD1-CG 4.14Å; I757-Y772 HydrophobicContact CD1-CE1 4.15Å |
| 758 | D | 93.6 | Very high | 90.4 | Very high | 131 Ų | 131 | 72.6 Ų | 72.6 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.1 | -35 | 177.6 | -65.7 | -22.8 | 0 | 0 | 0 | 112.1 | E754 Q760 | E754-D758 PolarHBondContact O-N 3.39Å; D758-Q760 VanDerWaalsContact C-N 3.26Å; D758-Q760 PolarHBondContact O-N 3.49Å |
| 759 | K | 93.4 | Very high | 89.8 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.5 | 175.5 | -71.5 | 179.6 | -179.6 | -174.9 | 0 | 114.3 | V755 I757 Y761 | V755-K759 HydrophobicContact CG1-CD 4.26Å; V755-K759 WeakPolarHBondContact O-CB 3.46Å; V755-K759 VanDerWaalsContact O-CG 3.27Å; V755-K759 WeakPolarHBondContact O-CG 3.36Å; V755-K759 PolarHBondContact O-N 3.39Å; V755-K759 VanDerWaalsContact O-N 3.14Å; I757-K759 PolarHBondContact O-N 3.43Å; K759-Y761 HydrophobicContact CB-CD2 3.65Å; K759-Y761 HydrophobicContact CB-CE2 3.9Å; K759-Y761 HydrophobicContact CD-CD2 4.47Å; K759-Y761 HydrophobicContact CD-CE2 4.22Å; K759-Y761 PolarHBondContact O-N 2.9Å |
| 760 | Q | 90.9 | Very high | 89.5 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 26.5 | 178.6 | -55.6 | -178.5 | -29 | 0 | 0 | 114.9 | L756 I757 D758 | L756-Q760 PolarHBondContact O-N 2.83Å; I757-Q760 WeakPolarHBondContact O-CA 3.48Å; I757-Q760 PolarHBondContact O-N 3.2Å; D758-Q760 VanDerWaalsContact C-N 3.26Å; D758-Q760 PolarHBondContact O-N 3.49Å |
| 761 | Y | 90.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -81.3 | -31.2 | 171.6 | -75.7 | -71 | 0 | 0 | 0 | 112.2 | V716 L756 K759 Y774 V775 A776 | V716-Y761 HydrophobicContact CG2-CD1 4.45Å; V716-Y761 HydrophobicContact CG2-CG 4.2Å; L756-Y761 HydrophobicContact CD2-CD2 3.77Å; L756-Y761 HydrophobicContact CD2-CG 4.34Å; L756-Y761 PolarHBondContact O-N 2.66Å; K759-Y761 HydrophobicContact CB-CD2 3.65Å; K759-Y761 HydrophobicContact CB-CE2 3.9Å; K759-Y761 HydrophobicContact CD-CD2 4.47Å; K759-Y761 HydrophobicContact CD-CE2 4.22Å; K759-Y761 PolarHBondContact O-N 2.9Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.35Å; Y761-V775 PolarHBondContact O-N 3.34Å; Y761-V775 VanDerWaalsContact O-N 3.09Å; Y761-A776 HydrophobicContact CD1-CB 3.87Å; Y761-A776 HydrophobicContact CE1-CB 4.43Å |
| 762 | I | 92.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 153 | -178.5 | 56 | 173.8 | 0 | 0 | 0 | 109.4 | I715 M719 I753 L756 I757 S773 Y774 | I715-I762 HydrophobicContact CG2-CD1 4.38Å; M719-I762 HydrophobicContact CB-CG2 3.93Å; M719-I762 HydrophobicContact CE-CG2 4.1Å; M719-I762 HydrophobicContact CG-CG2 3.87Å; I753-I762 HydrophobicContact CG2-CD1 3.9Å; L756-I762 HydrophobicContact CB-CD1 3.81Å; L756-I762 HydrophobicContact CB-CG1 3.84Å; I757-I762 WeakPolarHBondContact CA-O 3.13Å; I757-I762 HydrophobicContact CG1-CD1 4.02Å; I757-I762 HydrophobicContact CG1-CG1 3.76Å; I762-S773 CarbonylContact C-O 3.54Å; I762-S773 VanDerWaalsContact CA-O 3.29Å; I762-S773 WeakPolarHBondContact CA-O 3.33Å; I762-Y774 HydrophobicContact CG2-CD2 4.32Å |
| 763 | E | 92.8 | Very high | 89.2 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.1 | 177.5 | 176.3 | 175.8 | -170.8 | 0 | 0 | 109.4 | Y772 S773 V775 | E763-Y772 CarbonylContact O-C 3.58Å; E763-Y772 VanDerWaalsContact O-CA 3.3Å; E763-Y772 WeakPolarHBondContact O-CA 3.25Å; E763-S773 PolarHBondContact N-O 3.04Å; E763-S773 PolarHBondContact O-N 3.41Å; E763-S773 PolarHBondContact O-OG 3Å; E763-V775 HydrophobicContact CB-CG2 3.48Å; E763-V775 VanDerWaalsContact CB-CG2 3.48Å |
| 764 | R | 91.9 | Very high | 89.2 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.8 | 170.7 | -65.7 | -177.8 | -173.3 | -178.6 | 2.8 | 108.8 | E754 I757 Y772 | E754-R764 VanDerWaalsContact CD-NH2 3.3Å; E754-R764 IonicContact OE1-CZ 3.87Å; E754-R764 IonicContact OE1-NH2 2.75Å; E754-R764 PolarHBondContact OE1-NH2 3.37Å; E754-R764 IonicContact OE2-NH2 3.09Å; E754-R764 PolarHBondContact OE2-NH2 3.02Å; E754-R764 VanDerWaalsContact OE2-NH2 3.09Å; I757-R764 HydrophobicContact CD1-CG 4.14Å; R764-Y772 HydrophobicContact CG-CD1 3.97Å; R764-Y772 HydrophobicContact CG-CE1 3.78Å |
| 765 | S | 85.4 | Confident | 88.9 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | -59.9 | 142.5 | 179.8 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | S767 S768 E771 | S765-S767 PolarHBondContact O-N 3.37Å; S765-S767 PolarHBondContact OG-OG 3.11Å; S765-S768 PolarHBondContact O-N 3.11Å; S765-E771 PolarHBondContact N-O 3.21Å; S765-E771 PolarHBondContact OG-OE2 3.23Å | ||
| 766 | Q | 76.2 | Confident | 88.1 | Confident | 193 Ų | 193 | 75 Ų | 75 | 90% | 0.902 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.8 | 177.2 | -66.4 | -174.8 | 0.7 | 0 | 0 | 112.6 | ||
| 767 | S | 73.3 | Confident | 87.7 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -28.5 | -179.9 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | S765 E771 | S765-S767 PolarHBondContact O-N 3.37Å; S765-S767 PolarHBondContact OG-OG 3.11Å; S767-E771 PolarHBondContact OG-OE2 2.8Å; S767-E771 VanDerWaalsContact OG-OE2 3.06Å |
| 768 | S | 81.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | trans | -165.8 | 138.3 | -175.5 | -178 | 0 | 0 | 0 | 0 | 112.9 | S765 D770 E771 | S765-S768 PolarHBondContact O-N 3.11Å; S768-D770 PolarHBondContact O-N 3.21Å; S768-D770 PolarHBondContact OG-N 3.41Å; S768-E771 PolarHBondContact O-N 3.48Å | ||
| 769 | A | 77.4 | Confident | 87.1 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | E771 | A769-E771 VanDerWaalsContact C-N 3.32Š|
| 770 | D | 88 | Confident | 86.7 | Confident | 104 Ų | 104 | 76.1 Ų | 76.1 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 7.3 | 179.1 | -78.2 | -25.2 | 0 | 0 | 0 | 113.1 | R726 H727 S768 | R726-D770 CarbonylContact C-O 3.48Å; R726-D770 WeakPolarHBondContact CA-O 3.5Å; H727-D770 PolarHBondContact N-O 3.2Å; S768-D770 PolarHBondContact O-N 3.21Å; S768-D770 PolarHBondContact OG-N 3.41Å |
| 771 | E | 92.2 | Very high | 86.5 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 23% | 0.229 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.5 | -178.7 | -174.1 | 170.2 | -105.8 | 0 | 0 | 111 | V724 S765 S767 S768 A769 | V724-E771 HydrophobicContact CG1-CG 3.59Å; S765-E771 PolarHBondContact N-O 3.21Å; S765-E771 PolarHBondContact OG-OE2 3.23Å; S767-E771 PolarHBondContact OG-OE2 2.8Å; S767-E771 VanDerWaalsContact OG-OE2 3.06Å; S768-E771 PolarHBondContact O-N 3.48Å; A769-E771 VanDerWaalsContact C-N 3.32Å |
| 772 | Y | 93.4 | Very high | 86.2 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.5 | 176.3 | -58.1 | -65.5 | 0 | 0 | 0 | 110.6 | M719 V724 L725 H727 L730 I753 I757 E763 R764 | M719-Y772 WeakPolarHBondContact CE-O 3.05Å; V724-Y772 VanDerWaalsContact CA-O 3.31Å; V724-Y772 WeakPolarHBondContact CA-O 3.46Å; L725-Y772 PolarHBondContact N-O 3.08Å; L725-Y772 PolarHBondContact O-N 3.12Å; H727-Y772 HydrophobicContact CB-CE2 3.85Å; H727-Y772 AromaticContact ND1-CE2 3.41Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.44Å; H727-Y772 AromaticContact ND1-CZ 3.56Å; H727-Y772 PolarHBondContact ND1-OH 3.32Å; L730-Y772 HydrophobicContact CD2-CD2 3.82Å; L730-Y772 HydrophobicContact CD2-CE2 4.2Å; I753-Y772 HydrophobicContact CD1-CE2 4.29Å; I753-Y772 HydrophobicContact CG2-CE1 3.89Å; I753-Y772 HydrophobicContact CG2-CE2 4.27Å; I757-Y772 HydrophobicContact CD1-CE1 4.15Å; E763-Y772 CarbonylContact O-C 3.58Å; E763-Y772 VanDerWaalsContact O-CA 3.3Å; E763-Y772 WeakPolarHBondContact O-CA 3.25Å; R764-Y772 HydrophobicContact CG-CD1 3.97Å; R764-Y772 HydrophobicContact CG-CE1 3.78Å |
| 773 | S | 91.3 | Very high | 85.7 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 20% | 0.203 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142 | 171.4 | 50 | 0 | 0 | 0 | 0 | 110.6 | K723 I762 E763 | K723-S773 CarbonylContact O-C 3.45Å; K723-S773 WeakPolarHBondContact O-CA 3.41Å; I762-S773 CarbonylContact C-O 3.54Å; I762-S773 VanDerWaalsContact CA-O 3.29Å; I762-S773 WeakPolarHBondContact CA-O 3.33Å; E763-S773 PolarHBondContact N-O 3.04Å; E763-S773 PolarHBondContact O-N 3.41Å; E763-S773 PolarHBondContact O-OG 3Å |
| 774 | Y | 93.1 | Very high | 85.2 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.3 | 174.2 | -177.7 | -110 | 0 | 0 | 0 | 110.8 | V716 M719 K720 K723 Y761 I762 A776 | V716-Y774 HydrophobicContact CG1-CE2 4.38Å; M719-Y774 HydrophobicContact CB-CD2 3.96Å; M719-Y774 HydrophobicContact CB-CG 4.48Å; M719-Y774 WeakPolarHBondContact O-CB 3.46Å; K720-Y774 HydrophobicContact CB-CD1 4.46Å; K720-Y774 HydrophobicContact CB-CE1 3.95Å; K720-Y774 HydrophobicContact CB-CE2 4.07Å; K720-Y774 HydrophobicContact CG-CE1 3.82Å; K723-Y774 HydrophobicContact CD-CD1 4.15Å; K723-Y774 PolarHBondContact O-N 3.25Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.35Å; I762-Y774 HydrophobicContact CG2-CD2 4.32Å; Y774-A776 WeakPolarHBondContact CE1-O 3.5Å; Y774-A776 HydrophobicContact CE2-CB 4.19Å |
| 775 | V | 87.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | trans | -110.4 | -26.7 | -169.1 | -177 | 0 | 0 | 0 | 0 | 113.3 | Y761 E763 | Y761-V775 PolarHBondContact O-N 3.34Å; Y761-V775 VanDerWaalsContact O-N 3.09Å; E763-V775 HydrophobicContact CB-CG2 3.48Å; E763-V775 VanDerWaalsContact CB-CG2 3.48Å | ||
| 776 | A | 75.9 | Confident | 84.6 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 78% | 0.777 | 44% | 0.442 | S | S | * | . | trans | -86 | 0 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y761 Y774 | Y761-A776 HydrophobicContact CD1-CB 3.87Å; Y761-A776 HydrophobicContact CE1-CB 4.43Å; Y774-A776 WeakPolarHBondContact CE1-O 3.5Å; Y774-A776 HydrophobicContact CE2-CB 4.19Å |
Retrieved 776 of 776 residues in 5662.5 ms
(Link to these results)