| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 48.7 | Very low | 212 Ų | 212 | 122.2 Ų | 122.2 | 100% | 1.044 | 64% | 0.642 | S | S | * | * | 0 | -34.7 | 0 | -109.4 | -177.1 | -83.5 | 0 | 0 | 113.9 | I5 | M1-I5 WeakPolarHBondContact O-CG1 3.13Š| |||
| 2 | A | 48.5 | Very low | 48.8 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.9 | -29 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | T6 | A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 3.21Å |
| 3 | A | 47.9 | Very low | 48.6 | Very low | 76 Ų | 76 | 112.6 Ų | 112.6 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.9 | -37.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T6 E7 | A3-T6 PolarHBondContact O-N 2.89Å; A3-E7 PolarHBondContact O-N 3.1Å |
| 4 | L | 46 | Very low | 48.8 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.9 | -32.1 | -178.2 | -132.1 | 144.4 | 0 | 0 | 0 | 112 | N8 | L4-N8 WeakPolarHBondContact O-CB 3.39Å; L4-N8 VanDerWaalsContact O-CG 3.26Å; L4-N8 PolarHBondContact O-N 3.46Å; L4-N8 VanDerWaalsContact O-N 3.09Å; L4-N8 PolarHBondContact O-ND2 2.78Å |
| 5 | I | 50.1 | Low | 48.7 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71 | -37.8 | 173.4 | -61.7 | 171 | 0 | 0 | 0 | 110.4 | M1 F9 | M1-I5 WeakPolarHBondContact O-CG1 3.13Å; I5-F9 WeakPolarHBondContact O-CB 3.47Å; I5-F9 PolarHBondContact O-N 3.42Å |
| 6 | T | 49.1 | Very low | 48.7 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71 | -38 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 112 | A2 A3 F9 K10 | A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 3.21Å; A3-T6 PolarHBondContact O-N 2.89Å; T6-F9 PolarHBondContact O-N 3.48Å; T6-K10 WeakPolarHBondContact O-CB 3.33Å; T6-K10 PolarHBondContact O-N 2.82Å |
| 7 | E | 51.7 | Low | 48.5 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.3 | -40.7 | 173.4 | -75.5 | -165 | 155.6 | 0 | 0 | 112.5 | A3 F9 K10 F11 | A3-E7 PolarHBondContact O-N 3.1Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.42Å; E7-K10 PolarHBondContact O-N 3.4Å; E7-F11 WeakPolarHBondContact O-CB 3.42Å; E7-F11 PolarHBondContact O-N 3.45Å |
| 8 | N | 47 | Very low | 48.7 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -38.7 | 173.5 | -75.8 | -24.3 | 0 | 0 | 0 | 111.6 | L4 F11 V12 | L4-N8 WeakPolarHBondContact O-CB 3.39Å; L4-N8 VanDerWaalsContact O-CG 3.26Å; L4-N8 PolarHBondContact O-N 3.46Å; L4-N8 VanDerWaalsContact O-N 3.09Å; L4-N8 PolarHBondContact O-ND2 2.78Å; N8-F11 PolarHBondContact O-N 3.32Å; N8-V12 WeakPolarHBondContact O-CB 3.43Å; N8-V12 WeakPolarHBondContact O-CG2 3.23Å; N8-V12 PolarHBondContact O-N 2.88Å |
| 9 | F | 54.3 | Low | 49 | Very low | 152 Ų | 152 | 116.7 Ų | 116.7 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.4 | -33.7 | 175.5 | -148 | -91.7 | 0 | 0 | 0 | 112.3 | I5 T6 E7 S13 | I5-F9 WeakPolarHBondContact O-CB 3.47Å; I5-F9 PolarHBondContact O-N 3.42Å; T6-F9 PolarHBondContact O-N 3.48Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.42Å; F9-S13 WeakPolarHBondContact O-CB 3.42Å; F9-S13 PolarHBondContact O-N 2.84Å; F9-S13 PolarHBondContact O-OG 3.38Å |
| 10 | K | 48.6 | Very low | 49.2 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66 | -43.4 | 170.6 | -112.4 | 177.3 | 177.5 | 176.7 | 0 | 111.8 | T6 E7 S13 L14 | T6-K10 WeakPolarHBondContact O-CB 3.33Å; T6-K10 PolarHBondContact O-N 2.82Å; E7-K10 PolarHBondContact O-N 3.4Å; K10-S13 PolarHBondContact O-N 2.9Å; K10-S13 PolarHBondContact O-OG 2.8Å; K10-L14 WeakPolarHBondContact O-CB 3.24Å; K10-L14 PolarHBondContact O-N 3.38Å |
| 11 | F | 48.2 | Very low | 49.4 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -42.2 | 178.5 | -161.9 | -92.9 | 0 | 0 | 0 | 111.8 | E7 N8 L14 F15 | E7-F11 WeakPolarHBondContact O-CB 3.42Å; E7-F11 PolarHBondContact O-N 3.45Å; N8-F11 PolarHBondContact O-N 3.32Å; F11-L14 PolarHBondContact O-N 3.05Å; F11-F15 HydrophobicContact CD1-CD2 4.15Å; F11-F15 HydrophobicContact CD1-CE2 4.48Å; F11-F15 AromaticContact CE1-CD2 3.83Å; F11-F15 HydrophobicContact CE1-CD2 3.83Å; F11-F15 AromaticContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CZ-CE2 4.18Å; F11-F15 PolarHBondContact O-N 3.03Å |
| 12 | V | 49.8 | Very low | 50 | Low | 66 Ų | 66 | 109.3 Ų | 109.3 | 40% | 0.4 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.3 | -45.3 | 172.8 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | N8 L14 F15 F16 | N8-V12 WeakPolarHBondContact O-CB 3.43Å; N8-V12 WeakPolarHBondContact O-CG2 3.23Å; N8-V12 PolarHBondContact O-N 2.88Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.31Å; V12-F15 WeakPolarHBondContact O-CB 3.46Å; V12-F15 PolarHBondContact O-N 3.41Å; V12-F16 HydrophobicContact CG1-CD2 3.51Å; V12-F16 HydrophobicContact CG1-CE2 3.55Å; V12-F16 WeakPolarHBondContact O-CD2 3.35Å; V12-F16 PolarHBondContact O-N 3.05Å |
| 13 | S | 45.9 | Very low | 50.5 | Low | 54 Ų | 54 | 110.2 Ų | 110.2 | 38% | 0.378 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -30.9 | 175.1 | 78.8 | 0 | 0 | 0 | 0 | 113.1 | F9 K10 F16 K17 | F9-S13 WeakPolarHBondContact O-CB 3.42Å; F9-S13 PolarHBondContact O-N 2.84Å; F9-S13 PolarHBondContact O-OG 3.38Å; K10-S13 PolarHBondContact O-N 2.9Å; K10-S13 PolarHBondContact O-OG 2.8Å; S13-F16 CarbonylContact O-C 3.52Å; S13-F16 PolarHBondContact O-N 3.15Å; S13-K17 VanDerWaalsContact O-CB 3.24Å; S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 PolarHBondContact O-N 3.07Å |
| 14 | L | 51.3 | Low | 51 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -37.9 | 172.7 | -91.4 | 155.7 | 0 | 0 | 0 | 111.7 | K10 F11 V12 | K10-L14 WeakPolarHBondContact O-CB 3.24Å; K10-L14 PolarHBondContact O-N 3.38Å; F11-L14 PolarHBondContact O-N 3.05Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.31Å |
| 15 | F | 47.3 | Very low | 51.6 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 55% | 0.553 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 171 | -110.4 | -90.1 | 0 | 0 | 0 | 112.2 | F11 V12 | F11-F15 HydrophobicContact CD1-CD2 4.15Å; F11-F15 HydrophobicContact CD1-CE2 4.48Å; F11-F15 AromaticContact CE1-CD2 3.83Å; F11-F15 HydrophobicContact CE1-CD2 3.83Å; F11-F15 AromaticContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CE1-CE2 3.71Å; F11-F15 HydrophobicContact CZ-CE2 4.18Å; F11-F15 PolarHBondContact O-N 3.03Å; V12-F15 WeakPolarHBondContact O-CB 3.46Å; V12-F15 PolarHBondContact O-N 3.41Å |
| 16 | F | 48.1 | Very low | 52.4 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -86.2 | -5.9 | 179.6 | -73.7 | -66.5 | 0 | 0 | 0 | 114.7 | V12 S13 | V12-F16 HydrophobicContact CG1-CD2 3.51Å; V12-F16 HydrophobicContact CG1-CE2 3.55Å; V12-F16 WeakPolarHBondContact O-CD2 3.35Å; V12-F16 PolarHBondContact O-N 3.05Å; S13-F16 CarbonylContact O-C 3.52Å; S13-F16 PolarHBondContact O-N 3.15Å |
| 17 | K | 45.5 | Very low | 53.1 | Low | 176 Ų | 176 | 107.9 Ų | 107.9 | 77% | 0.765 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.9 | 179.5 | -144.3 | 174.1 | 179.1 | 179.7 | 0 | 113.6 | S13 K19 | S13-K17 VanDerWaalsContact O-CB 3.24Å; S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 PolarHBondContact O-N 3.07Å; K17-K19 PolarHBondContact O-N 3.17Å |
| 18 | S | 51.7 | Low | 53.9 | Low | 42 Ų | 42 | 105 Ų | 105 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | trans | -82 | 112.8 | 173.5 | 66.5 | 0 | 0 | 0 | 0 | 108.5 | D20 V21 | S18-D20 PolarHBondContact O-N 3.2Å; S18-V21 PolarHBondContact O-N 3.27Å; S18-V21 VanDerWaalsContact O-N 3.07Å; S18-V21 VanDerWaalsContact OG-CB 3.32Å; S18-V21 WeakPolarHBondContact OG-CB 3.37Å; S18-V21 WeakPolarHBondContact OG-CG2 3.33Å; S18-V21 PolarHBondContact OG-N 3Å | ||
| 19 | K | 54.7 | Low | 54.8 | Low | 163 Ų | 163 | 103.3 Ų | 103.3 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -47.5 | -32.1 | 171.5 | -83.7 | 178.8 | 171.3 | 175.8 | 0 | 111 | K17 I23 | K17-K19 PolarHBondContact O-N 3.17Å; K19-I23 HydrophobicContact CB-CD1 4.39Å; K19-I23 WeakPolarHBondContact O-CB 3.04Å; K19-I23 VanDerWaalsContact O-CD1 3.27Å; K19-I23 WeakPolarHBondContact O-CD1 2.98Å; K19-I23 WeakPolarHBondContact O-CG1 3.42Å; K19-I23 PolarHBondContact O-N 3.23Å |
| 20 | D | 53.4 | Low | 55.3 | Low | 124 Ų | 124 | 102.1 Ų | 102.1 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | -179.4 | -53.8 | -42.1 | 0 | 0 | 0 | 114 | S18 F24 | S18-D20 PolarHBondContact O-N 3.2Å; D20-F24 WeakPolarHBondContact O-CB 3.2Å; D20-F24 PolarHBondContact O-N 3.37Å |
| 21 | V | 54.2 | Low | 56.1 | Low | 46 Ų | 46 | 96.7 Ų | 96.7 | 28% | 0.279 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.7 | -36.5 | -178.8 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | S18 F24 N25 | S18-V21 PolarHBondContact O-N 3.27Å; S18-V21 VanDerWaalsContact O-N 3.07Å; S18-V21 VanDerWaalsContact OG-CB 3.32Å; S18-V21 WeakPolarHBondContact OG-CB 3.37Å; S18-V21 WeakPolarHBondContact OG-CG2 3.33Å; S18-V21 PolarHBondContact OG-N 3Å; V21-F24 PolarHBondContact O-N 2.66Å; V21-N25 WeakPolarHBondContact O-CB 3.26Å; V21-N25 VanDerWaalsContact O-CG 3.28Å; V21-N25 PolarHBondContact O-N 2.71Å; V21-N25 PolarHBondContact O-ND2 3.11Å |
| 22 | M | 55.9 | Low | 57.1 | Low | 120 Ų | 120 | 94 Ų | 94 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68 | -41.1 | 173.5 | -177.4 | 178.3 | 65 | 0 | 0 | 111.4 | G26 | M22-G26 PolarHBondContact O-N 2.9Å |
| 23 | I | 59.4 | Low | 57.6 | Low | 94 Ų | 94 | 95.1 Ų | 95.1 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.3 | -69.8 | 165.9 | 0 | 0 | 0 | 110.1 | K19 G26 L27 | K19-I23 HydrophobicContact CB-CD1 4.39Å; K19-I23 WeakPolarHBondContact O-CB 3.04Å; K19-I23 VanDerWaalsContact O-CD1 3.27Å; K19-I23 WeakPolarHBondContact O-CD1 2.98Å; K19-I23 WeakPolarHBondContact O-CG1 3.42Å; K19-I23 PolarHBondContact O-N 3.23Å; I23-G26 PolarHBondContact O-N 3.15Å; I23-L27 HydrophobicContact CG2-CD1 3.78Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.75Å |
| 24 | F | 58.5 | Low | 58.2 | Low | 127 Ų | 127 | 94.9 Ų | 94.9 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -48 | 178.8 | -175.2 | -106.2 | 0 | 0 | 0 | 112.6 | D20 V21 G26 L27 I28 | D20-F24 WeakPolarHBondContact O-CB 3.2Å; D20-F24 PolarHBondContact O-N 3.37Å; V21-F24 PolarHBondContact O-N 2.66Å; F24-G26 VanDerWaalsContact C-N 3.34Å; F24-G26 PolarHBondContact O-N 2.9Å; F24-L27 PolarHBondContact O-N 2.57Å; F24-I28 HydrophobicContact CD1-CD1 3.64Å; F24-I28 HydrophobicContact CE1-CD1 3.29Å; F24-I28 HydrophobicContact CE1-CG1 4.42Å; F24-I28 HydrophobicContact CE2-CD1 4.38Å; F24-I28 HydrophobicContact CG-CD1 4.34Å; F24-I28 HydrophobicContact CZ-CD1 3.71Å; F24-I28 WeakPolarHBondContact O-CG1 3.38Å; F24-I28 PolarHBondContact O-N 2.97Å |
| 25 | N | 59.9 | Low | 58.6 | Low | 78 Ų | 78 | 92.7 Ų | 92.7 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 176.8 | -70.1 | -22.6 | 0 | 0 | 0 | 112 | V21 I28 A29 | V21-N25 WeakPolarHBondContact O-CB 3.26Å; V21-N25 VanDerWaalsContact O-CG 3.28Å; V21-N25 PolarHBondContact O-N 2.71Å; V21-N25 PolarHBondContact O-ND2 3.11Å; N25-I28 PolarHBondContact O-N 2.87Å; N25-A29 WeakPolarHBondContact O-CB 3.18Å; N25-A29 PolarHBondContact O-N 3.09Å |
| 26 | G | 65.2 | Low | 59.1 | Low | 31 Ų | 31 | 93 Ų | 93 | 32% | 0.32 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M22 I23 F24 A29 L30 | M22-G26 PolarHBondContact O-N 2.9Å; I23-G26 PolarHBondContact O-N 3.15Å; F24-G26 VanDerWaalsContact C-N 3.34Å; F24-G26 PolarHBondContact O-N 2.9Å; G26-A29 PolarHBondContact O-N 2.86Å; G26-L30 WeakPolarHBondContact O-CB 3.36Å; G26-L30 PolarHBondContact O-N 3.18Å |
| 27 | L | 65.1 | Low | 59.5 | Low | 111 Ų | 111 | 90.7 Ų | 90.7 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -37.1 | 174.5 | -75.9 | 170.4 | 0 | 0 | 0 | 112.2 | I23 F24 G31 | I23-L27 HydrophobicContact CG2-CD1 3.78Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.75Å; F24-L27 PolarHBondContact O-N 2.57Å; L27-G31 WeakPolarHBondContact O-CA 3.23Å; L27-G31 PolarHBondContact O-N 3Å |
| 28 | I | 68 | Low | 60 | Low | 83 Ų | 83 | 87.5 Ų | 87.5 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 173.8 | -71 | 169.1 | 0 | 0 | 0 | 110.7 | F24 N25 G31 T32 | F24-I28 HydrophobicContact CD1-CD1 3.64Å; F24-I28 HydrophobicContact CE1-CD1 3.29Å; F24-I28 HydrophobicContact CE1-CG1 4.42Å; F24-I28 HydrophobicContact CE2-CD1 4.38Å; F24-I28 HydrophobicContact CG-CD1 4.34Å; F24-I28 HydrophobicContact CZ-CD1 3.71Å; F24-I28 WeakPolarHBondContact O-CG1 3.38Å; F24-I28 PolarHBondContact O-N 2.97Å; N25-I28 PolarHBondContact O-N 2.87Å; I28-G31 PolarHBondContact O-N 3.39Å; I28-T32 WeakPolarHBondContact O-CB 3.4Å; I28-T32 PolarHBondContact O-N 3.16Å; I28-T32 PolarHBondContact O-OG1 2.86Å |
| 29 | A | 66 | Low | 60 | Low | 56 Ų | 56 | 91.1 Ų | 91.1 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N25 G26 G31 T32 V33 | N25-A29 WeakPolarHBondContact O-CB 3.18Å; N25-A29 PolarHBondContact O-N 3.09Å; G26-A29 PolarHBondContact O-N 2.86Å; A29-G31 VanDerWaalsContact C-N 3.32Å; A29-G31 PolarHBondContact O-N 3.14Å; A29-T32 PolarHBondContact O-N 3.09Å; A29-V33 WeakPolarHBondContact O-CG2 3.36Å; A29-V33 PolarHBondContact O-N 3.14Å |
| 30 | L | 63.9 | Low | 59.9 | Low | 127 Ų | 127 | 89.6 Ų | 89.6 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 172.5 | -92.4 | 152.7 | 0 | 0 | 0 | 111.5 | G26 T32 V33 A34 | G26-L30 WeakPolarHBondContact O-CB 3.36Å; G26-L30 PolarHBondContact O-N 3.18Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.32Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 2.77Å |
| 31 | G | 66 | Low | 59.9 | Low | 32 Ų | 32 | 89.8 Ų | 89.8 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 I28 A29 S35 | L27-G31 WeakPolarHBondContact O-CA 3.23Å; L27-G31 PolarHBondContact O-N 3Å; I28-G31 PolarHBondContact O-N 3.39Å; A29-G31 VanDerWaalsContact C-N 3.32Å; A29-G31 PolarHBondContact O-N 3.14Å; G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-N 2.87Å; G31-S35 PolarHBondContact O-OG 2.86Å |
| 32 | T | 68.8 | Low | 60.3 | Low | 71 Ų | 71 | 94.2 Ų | 94.2 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 179 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | I28 A29 L30 S35 Q36 | I28-T32 WeakPolarHBondContact O-CB 3.4Å; I28-T32 PolarHBondContact O-N 3.16Å; I28-T32 PolarHBondContact O-OG1 2.86Å; A29-T32 PolarHBondContact O-N 3.09Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.32Å; T32-S35 PolarHBondContact O-N 3.4Å; T32-Q36 WeakPolarHBondContact O-CG 3.44Å; T32-Q36 PolarHBondContact O-N 3.23Å |
| 33 | V | 60.5 | Low | 60.9 | Low | 89 Ų | 89 | 91 Ų | 91 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178.1 | 176 | 0 | 0 | 0 | 0 | 111 | A29 L30 S35 Q36 T37 | A29-V33 WeakPolarHBondContact O-CG2 3.36Å; A29-V33 PolarHBondContact O-N 3.14Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.48Å; V33-Q36 PolarHBondContact O-N 3.16Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-OG1 2.99Å |
| 34 | A | 59 | Low | 62 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L30 T37 M38 | L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 2.77Å; A34-T37 PolarHBondContact O-N 2.73Å; A34-M38 VanDerWaalsContact O-CB 3.25Å; A34-M38 WeakPolarHBondContact O-CB 3.28Å; A34-M38 WeakPolarHBondContact O-CG 3.45Å; A34-M38 PolarHBondContact O-N 3.39Å |
| 35 | S | 59.5 | Low | 63.5 | Low | 74 Ų | 74 | 88.5 Ų | 88.5 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.4 | -66.8 | 0 | 0 | 0 | 0 | 112 | G31 T32 V33 T37 M38 Y39 | G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-N 2.87Å; G31-S35 PolarHBondContact O-OG 2.86Å; T32-S35 PolarHBondContact O-N 3.4Å; V33-S35 VanDerWaalsContact C-N 3.31Å; V33-S35 PolarHBondContact O-N 3.48Å; S35-T37 VanDerWaalsContact C-N 3.34Å; S35-M38 PolarHBondContact O-N 3.17Å; S35-Y39 WeakPolarHBondContact O-CB 3.35Å; S35-Y39 PolarHBondContact O-N 3.07Å |
| 36 | Q | 58.1 | Low | 64.9 | Low | 132 Ų | 132 | 85.9 Ų | 85.9 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 175.8 | -73.7 | 179 | -14.9 | 0 | 0 | 111.8 | T32 V33 Y39 | T32-Q36 WeakPolarHBondContact O-CG 3.44Å; T32-Q36 PolarHBondContact O-N 3.23Å; V33-Q36 PolarHBondContact O-N 3.16Å; Q36-Y39 PolarHBondContact O-N 3.44Å |
| 37 | T | 55.4 | Low | 66.2 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 179.6 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | V33 A34 S35 Y39 N40 I41 | V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-OG1 2.99Å; A34-T37 PolarHBondContact O-N 2.73Å; S35-T37 VanDerWaalsContact C-N 3.34Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.48Å; T37-N40 PolarHBondContact O-N 3.46Å; T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 PolarHBondContact O-N 3.3Å |
| 38 | M | 55.9 | Low | 67.4 | Low | 109 Ų | 109 | 82.6 Ų | 82.6 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 174.5 | -84.3 | -174.8 | 161.6 | 0 | 0 | 112.6 | A34 S35 N40 I41 F42 | A34-M38 VanDerWaalsContact O-CB 3.25Å; A34-M38 WeakPolarHBondContact O-CB 3.28Å; A34-M38 WeakPolarHBondContact O-CG 3.45Å; A34-M38 PolarHBondContact O-N 3.39Å; S35-M38 PolarHBondContact O-N 3.17Å; M38-N40 PolarHBondContact O-N 3.35Å; M38-I41 PolarHBondContact O-N 3.11Å; M38-F42 HydrophobicContact CB-CD2 3.98Å; M38-F42 HydrophobicContact CB-CE2 4.42Å; M38-F42 HydrophobicContact CE-CE2 4.15Å; M38-F42 HydrophobicContact CG-CD2 4Å; M38-F42 HydrophobicContact CG-CE2 3.92Å; M38-F42 WeakPolarHBondContact O-CB 3.24Å; M38-F42 WeakPolarHBondContact O-CD2 3.4Å; M38-F42 PolarHBondContact O-N 2.92Å; M38-F42 HydrophobicContact SD-CE2 4.39Å |
| 39 | Y | 52.4 | Low | 68.4 | Low | 118 Ų | 118 | 80.8 Ų | 80.8 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -34.1 | -179.2 | -160.7 | -97.9 | 0 | 0 | 0 | 112.5 | S35 Q36 T37 A43 | S35-Y39 WeakPolarHBondContact O-CB 3.35Å; S35-Y39 PolarHBondContact O-N 3.07Å; Q36-Y39 PolarHBondContact O-N 3.44Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.48Å; Y39-A43 PolarHBondContact O-N 3.33Å |
| 40 | N | 52.8 | Low | 69.4 | Low | 131 Ų | 131 | 80.7 Ų | 80.7 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82.8 | -33.1 | 176.9 | -72.6 | -12.2 | 0 | 0 | 0 | 113.5 | T37 M38 | T37-N40 PolarHBondContact O-N 3.46Å; M38-N40 PolarHBondContact O-N 3.35Å |
| 41 | I | 53.7 | Low | 70.5 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 65% | 0.651 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -79.9 | -32.4 | -178.4 | -65 | 171.3 | 0 | 0 | 0 | 111.6 | T37 M38 | T37-I41 HydrophobicContact CG2-CD1 4.15Å; T37-I41 PolarHBondContact O-N 3.3Å; M38-I41 PolarHBondContact O-N 3.11Å |
| 42 | F | 61.3 | Low | 71.7 | Confident | 140 Ų | 140 | 83 Ų | 83 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 29.9 | 176.5 | -63.7 | -74 | 0 | 0 | 0 | 112.1 | M38 F44 | M38-F42 HydrophobicContact CB-CD2 3.98Å; M38-F42 HydrophobicContact CB-CE2 4.42Å; M38-F42 HydrophobicContact CE-CE2 4.15Å; M38-F42 HydrophobicContact CG-CD2 4Å; M38-F42 HydrophobicContact CG-CE2 3.92Å; M38-F42 WeakPolarHBondContact O-CB 3.24Å; M38-F42 WeakPolarHBondContact O-CD2 3.4Å; M38-F42 PolarHBondContact O-N 2.92Å; M38-F42 HydrophobicContact SD-CE2 4.39Å; F42-F44 PolarHBondContact O-N 2.84Å |
| 43 | A | 69 | Low | 72.8 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | trans | -53.5 | 119.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y39 D45 | Y39-A43 PolarHBondContact O-N 3.33Å; A43-D45 PolarHBondContact O-N 3.37Å | ||
| 44 | F | 83.6 | Confident | 74.3 | Confident | 44 Ų | 44 | 80 Ų | 80 | 19% | 0.193 | 43% | 0.43 | C | S | . | . | trans | -85.1 | 107.8 | -176.3 | 174.1 | -94 | 0 | 0 | 0 | 109 | F42 C46 Y56 A60 E126 A127 C130 | F42-F44 PolarHBondContact O-N 2.84Å; F44-C46 HydrophobicContact CE1-CB 4.29Å; F44-Y56 AromaticContact CD2-CE1 3.81Å; F44-Y56 HydrophobicContact CD2-CE1 3.81Å; F44-Y56 AromaticContact CE2-CD1 3.61Å; F44-Y56 HydrophobicContact CE2-CD1 3.61Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.89Å; F44-Y56 HydrophobicContact CZ-CD1 3.89Å; F44-Y56 AromaticContact CZ-CE1 3.9Å; F44-Y56 HydrophobicContact CZ-CE1 3.9Å; F44-A60 HydrophobicContact CD2-CB 3.74Å; F44-A60 HydrophobicContact CE2-CB 3.49Å; F44-A60 VanDerWaalsContact CE2-CB 3.49Å; F44-E126 HydrophobicContact CD1-CB 3.94Å; F44-E126 HydrophobicContact CE1-CB 4.37Å; F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 4.09Å; F44-A127 HydrophobicContact CZ-CB 4.02Å; F44-C130 HydrophobicContact CE1-CB 3.64Å; F44-C130 HydrophobicContact CZ-CB 3.59Å | ||
| 45 | D | 88.9 | Confident | 76 | Confident | 123 Ų | 123 | 83.2 Ų | 83.2 | 66% | 0.658 | 44% | 0.44 | S | S | * | . | trans | -106.3 | 115.1 | 176 | -67.6 | -47.3 | 0 | 0 | 0 | 110.9 | A43 Y56 | A43-D45 PolarHBondContact O-N 3.37Å; D45-Y56 WeakPolarHBondContact O-CE1 3.31Å | ||
| 46 | C | 90.6 | Very high | 77.6 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 16% | 0.155 | 43% | 0.433 | C | S | . | . | trans | -71.7 | 135.1 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 111 | F44 C48 C130 P157 C158 | F44-C46 HydrophobicContact CE1-CB 4.29Å; C46-C48 PolarHBondContact O-N 3.21Å; C46-C130 HydrophobicContact CB-CB 3.75Å; C46-C130 WeakPolarHBondContact CB-SG 3.29Å; C46-C130 WeakPolarHBondContact SG-CB 3.27Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 2.94Å; C46-P157 HydrophobicContact CB-CB 3.99Å; C46-C158 PolarHBondContact O-SG 2.86Å; C46-C158 VanDerWaalsContact O-SG 3.35Å | ||
| 47 | P | 91 | Very high | 79.2 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | trans | -72.3 | -15.5 | -178.5 | 27.9 | -35.5 | 0 | 0 | 0 | 114.1 | S49 R52 Y56 | P47-S49 VanDerWaalsContact C-N 3.27Å; P47-S49 PolarHBondContact O-N 2.69Å; P47-R52 HydrophobicContact CG-CB 4.2Å; P47-Y56 VanDerWaalsContact CD-CD1 3.48Å; P47-Y56 HydrophobicContact CG-CD1 4.32Å; P47-Y56 HydrophobicContact CG-CG 4.24Å | ||
| 48 | C | 91.4 | Very high | 81 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | trans | 50.7 | 44.1 | 176.1 | -66.4 | 0 | 0 | 0 | 0 | 114.5 | C46 N53 A154 C158 | C46-C48 PolarHBondContact O-N 3.21Å; C48-N53 WeakPolarHBondContact CA-OD1 3.39Å; C48-N53 PolarHBondContact N-OD1 3.44Å; C48-A154 CarbonylContact C-O 3.42Å; C48-A154 VanDerWaalsContact CA-O 3.26Å; C48-A154 WeakPolarHBondContact CA-O 3.43Å; C48-C158 HydrophobicContact CB-CB 3.7Å; C48-C158 WeakPolarHBondContact CB-SG 3.12Å; C48-C158 WeakPolarHBondContact SG-CB 3.22Å; C48-C158 PolarHBondContact SG-N 3.45Å; C48-C158 CovalentContact SG-SG 2.01Å; C48-C158 PolarHBondContact SG-SG 2.99Å | ||
| 49 | S | 89.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -133.5 | 133.4 | -178.8 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | P47 G51 R52 N53 | P47-S49 VanDerWaalsContact C-N 3.27Å; P47-S49 PolarHBondContact O-N 2.69Å; S49-G51 PolarHBondContact O-N 3.15Å; S49-R52 PolarHBondContact O-N 3.27Å; S49-R52 VanDerWaalsContact O-N 3.12Å; S49-N53 PolarHBondContact N-OD1 2.99Å; S49-N53 PolarHBondContact O-N 3.36Å; S49-N53 VanDerWaalsContact O-N 3.17Å; S49-N53 PolarHBondContact O-OD1 2.9Å; S49-N53 VanDerWaalsContact O-OD1 3.11Å | ||
| 50 | S | 86.9 | Confident | 84.7 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 137.3 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | R52 E134 | S50-R52 PolarHBondContact O-N 3.25Å; S50-R52 VanDerWaalsContact O-N 3.09Å; S50-E134 WeakPolarHBondContact CA-OE2 3.22Å |
| 51 | G | 85.9 | Confident | 86.5 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -21.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | S49 L55 E134 | S49-G51 PolarHBondContact O-N 3.15Å; G51-L55 WeakPolarHBondContact O-CD1 3.4Å; G51-E134 PolarHBondContact N-OE2 3.09Å |
| 52 | R | 91.1 | Very high | 88.4 | Confident | 170 Ų | 170 | 61.9 Ų | 61.9 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -91.8 | -31.5 | 178.7 | -63.9 | -175.6 | 179.6 | -175.6 | 0.5 | 112.4 | P47 S49 S50 L55 Y56 | P47-R52 HydrophobicContact CG-CB 4.2Å; S49-R52 PolarHBondContact O-N 3.27Å; S49-R52 VanDerWaalsContact O-N 3.12Å; S50-R52 PolarHBondContact O-N 3.25Å; S50-R52 VanDerWaalsContact O-N 3.09Å; R52-L55 PolarHBondContact O-N 2.77Å; R52-Y56 VanDerWaalsContact O-CB 3.28Å; R52-Y56 WeakPolarHBondContact O-CB 3.47Å; R52-Y56 PolarHBondContact O-N 3.23Å |
| 53 | N | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.9 | -55.7 | 178 | -86.5 | 24.7 | 0 | 0 | 0 | 112.7 | C48 S49 L55 Y56 G57 C130 S133 A154 | C48-N53 WeakPolarHBondContact CA-OD1 3.39Å; C48-N53 PolarHBondContact N-OD1 3.44Å; S49-N53 PolarHBondContact N-OD1 2.99Å; S49-N53 PolarHBondContact O-N 3.36Å; S49-N53 VanDerWaalsContact O-N 3.17Å; S49-N53 PolarHBondContact O-OD1 2.9Å; S49-N53 VanDerWaalsContact O-OD1 3.11Å; N53-L55 PolarHBondContact O-N 2.84Å; N53-Y56 PolarHBondContact O-N 2.86Å; N53-G57 PolarHBondContact O-N 3.2Å; N53-C130 VanDerWaalsContact CB-O 3.29Å; N53-C130 WeakPolarHBondContact CB-O 3.16Å; N53-S133 PolarHBondContact ND2-OG 3.41Å; N53-A154 PolarHBondContact ND2-O 2.04Å |
| 54 | Y | 91.7 | Very high | 91 | Very high | 97 Ų | 97 | 59 Ų | 59 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 177 | 174.1 | -101.6 | 0 | 0 | 0 | 112.9 | Y56 L58 E134 F135 | Y54-Y56 PolarHBondContact O-N 3.09Å; Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.05Å; Y54-L58 PolarHBondContact O-N 2.9Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.26Å; Y54-F135 AromaticContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CG-CE2 4.05Å; Y54-F135 HydrophobicContact CG-CZ 4.47Å |
| 55 | L | 94 | Very high | 91.5 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 60% | 0.602 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | -179.2 | -69.8 | 174 | 0 | 0 | 0 | 111.7 | G51 R52 N53 A59 | G51-L55 WeakPolarHBondContact O-CD1 3.4Å; R52-L55 PolarHBondContact O-N 2.77Å; N53-L55 PolarHBondContact O-N 2.84Å; L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.15Å |
| 56 | Y | 93.4 | Very high | 91.8 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.4 | -46.1 | -179.3 | -174.1 | -105.7 | 0 | 0 | 0 | 112 | F44 D45 P47 R52 N53 Y54 L58 A59 A60 | F44-Y56 AromaticContact CD2-CE1 3.81Å; F44-Y56 HydrophobicContact CD2-CE1 3.81Å; F44-Y56 AromaticContact CE2-CD1 3.61Å; F44-Y56 HydrophobicContact CE2-CD1 3.61Å; F44-Y56 AromaticContact CE2-CE1 3.35Å; F44-Y56 HydrophobicContact CE2-CE1 3.35Å; F44-Y56 AromaticContact CZ-CD1 3.89Å; F44-Y56 HydrophobicContact CZ-CD1 3.89Å; F44-Y56 AromaticContact CZ-CE1 3.9Å; F44-Y56 HydrophobicContact CZ-CE1 3.9Å; D45-Y56 WeakPolarHBondContact O-CE1 3.31Å; P47-Y56 VanDerWaalsContact CD-CD1 3.48Å; P47-Y56 HydrophobicContact CG-CD1 4.32Å; P47-Y56 HydrophobicContact CG-CG 4.24Å; R52-Y56 VanDerWaalsContact O-CB 3.28Å; R52-Y56 WeakPolarHBondContact O-CB 3.47Å; R52-Y56 PolarHBondContact O-N 3.23Å; N53-Y56 PolarHBondContact O-N 2.86Å; Y54-Y56 PolarHBondContact O-N 3.09Å; Y56-L58 PolarHBondContact O-N 3.48Å; Y56-A59 PolarHBondContact O-N 3.38Å; Y56-A60 WeakPolarHBondContact O-CB 3.2Å; Y56-A60 PolarHBondContact O-N 3.43Å |
| 57 | G | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N53 A60 I61 | N53-G57 PolarHBondContact O-N 3.2Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-I61 WeakPolarHBondContact O-CG1 3.44Å; G57-I61 PolarHBondContact O-N 3.19Å |
| 58 | L | 93.3 | Very high | 91.9 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.6 | -173.4 | 69.2 | 0 | 0 | 0 | 111.7 | Y54 Y56 I61 G62 | Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.05Å; Y54-L58 PolarHBondContact O-N 2.9Å; Y56-L58 PolarHBondContact O-N 3.48Å; L58-I61 PolarHBondContact O-N 3.25Å; L58-G62 PolarHBondContact O-N 2.86Å |
| 59 | A | 93.6 | Very high | 92 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L55 Y56 I61 G62 V63 | L55-A59 WeakPolarHBondContact O-CB 3.49Å; L55-A59 PolarHBondContact O-N 3.15Å; Y56-A59 PolarHBondContact O-N 3.38Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 2.92Å; A59-G62 PolarHBondContact O-N 3.34Å; A59-V63 HydrophobicContact CB-CG2 4.21Å; A59-V63 VanDerWaalsContact O-CB 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.49Å; A59-V63 WeakPolarHBondContact O-CG2 3.38Å; A59-V63 PolarHBondContact O-N 3.09Å |
| 60 | A | 91.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -31.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | F44 Y56 G57 P64 | F44-A60 HydrophobicContact CD2-CB 3.74Å; F44-A60 HydrophobicContact CE2-CB 3.49Å; F44-A60 VanDerWaalsContact CE2-CB 3.49Å; Y56-A60 WeakPolarHBondContact O-CB 3.2Å; Y56-A60 PolarHBondContact O-N 3.43Å; G57-A60 PolarHBondContact O-N 2.91Å; A60-P64 VanDerWaalsContact O-CD 3.27Å; A60-P64 WeakPolarHBondContact O-CD 3.5Å; A60-P64 WeakPolarHBondContact O-CG 3.41Å |
| 61 | I | 91.6 | Very high | 92.4 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -83 | -49.5 | 173.7 | -60.1 | 174 | 0 | 0 | 0 | 110.6 | G57 L58 A59 A65 W117 A127 | G57-I61 WeakPolarHBondContact O-CG1 3.44Å; G57-I61 PolarHBondContact O-N 3.19Å; L58-I61 PolarHBondContact O-N 3.25Å; A59-I61 VanDerWaalsContact C-N 3.26Å; A59-I61 PolarHBondContact O-N 2.92Å; I61-A65 WeakPolarHBondContact O-CB 3.48Å; I61-W117 VanDerWaalsContact O-CD1 3.27Å; I61-W117 PolarHBondContact O-NE1 3.22Å; I61-W117 VanDerWaalsContact O-NE1 3.08Å; I61-A127 HydrophobicContact CD1-CB 3.88Å; I61-A127 HydrophobicContact CG1-CB 3.74Å |
| 62 | G | 92.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.4 | -39 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L58 A59 A65 L66 | L58-G62 PolarHBondContact O-N 2.86Å; A59-G62 PolarHBondContact O-N 3.34Å; G62-A65 PolarHBondContact O-N 2.95Å; G62-L66 WeakPolarHBondContact O-CB 3.24Å; G62-L66 PolarHBondContact O-N 3.19Å |
| 63 | V | 94.4 | Very high | 92.6 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.9 | -47.8 | -176.4 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | A59 A65 L66 A67 | A59-V63 HydrophobicContact CB-CG2 4.21Å; A59-V63 VanDerWaalsContact O-CB 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.49Å; A59-V63 WeakPolarHBondContact O-CG2 3.38Å; A59-V63 PolarHBondContact O-N 3.09Å; V63-A65 VanDerWaalsContact C-N 3.32Å; V63-A65 PolarHBondContact O-N 2.76Å; V63-L66 PolarHBondContact O-N 3.23Å; V63-A67 PolarHBondContact O-N 2.85Å |
| 64 | P | 91.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.1 | -21.1 | 34 | 0 | 0 | 0 | 112.4 | A60 A67 F68 W117 | A60-P64 VanDerWaalsContact O-CD 3.27Å; A60-P64 WeakPolarHBondContact O-CD 3.5Å; A60-P64 WeakPolarHBondContact O-CG 3.41Å; P64-A67 PolarHBondContact O-N 3.16Å; P64-F68 HydrophobicContact CB-CE2 4.39Å; P64-F68 WeakPolarHBondContact O-CD2 3.43Å; P64-F68 WeakPolarHBondContact O-CG 3.27Å; P64-F68 PolarHBondContact O-N 3.18Å; P64-W117 HydrophobicContact CB-CD2 4.2Å; P64-W117 HydrophobicContact CB-CG 4.49Å; P64-W117 HydrophobicContact CB-CZ2 3.91Å; P64-W117 HydrophobicContact CG-CZ2 3.82Å |
| 65 | A | 93.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I61 G62 V63 A67 F68 Y69 P114 | I61-A65 WeakPolarHBondContact O-CB 3.48Å; G62-A65 PolarHBondContact O-N 2.95Å; V63-A65 VanDerWaalsContact C-N 3.32Å; V63-A65 PolarHBondContact O-N 2.76Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.28Å; A65-F68 PolarHBondContact O-N 3.03Å; A65-Y69 WeakPolarHBondContact O-CB 3.22Å; A65-Y69 PolarHBondContact O-N 2.65Å; A65-P114 HydrophobicContact CB-CB 3.85Å; A65-P114 WeakPolarHBondContact O-CB 3.16Å |
| 66 | L | 95 | Very high | 91.8 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 53% | 0.529 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.1 | -179.1 | 61.8 | 0 | 0 | 0 | 111.6 | G62 V63 Y69 L70 | G62-L66 WeakPolarHBondContact O-CB 3.24Å; G62-L66 PolarHBondContact O-N 3.19Å; V63-L66 PolarHBondContact O-N 3.23Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 2.67Å; L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CD1-CG 4.3Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; L66-L70 HydrophobicContact CG-CG 4.48Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 3.01Å |
| 67 | A | 93.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 62 Ų | 62 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V63 P64 A65 Y69 L70 V71 | V63-A67 PolarHBondContact O-N 2.85Å; P64-A67 PolarHBondContact O-N 3.16Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.28Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.33Å; A67-L70 PolarHBondContact O-N 3.17Å; A67-V71 WeakPolarHBondContact O-CG2 3.2Å; A67-V71 PolarHBondContact O-N 3.26Å |
| 68 | F | 91.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 63.3 Ų | 63.3 | 40% | 0.395 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.7 | -70.2 | -42.6 | 0 | 0 | 0 | 112.6 | P64 A65 G72 A113 W117 | P64-F68 HydrophobicContact CB-CE2 4.39Å; P64-F68 WeakPolarHBondContact O-CD2 3.43Å; P64-F68 WeakPolarHBondContact O-CG 3.27Å; P64-F68 PolarHBondContact O-N 3.18Å; A65-F68 PolarHBondContact O-N 3.03Å; F68-G72 PolarHBondContact O-N 3.46Å; F68-A113 HydrophobicContact CB-CB 3.92Å; F68-A113 HydrophobicContact CG-CB 4.3Å; F68-W117 HydrophobicContact CD2-CB 4.01Å; F68-W117 HydrophobicContact CD2-CG 4.28Å; F68-W117 HydrophobicContact CE2-CB 4.06Å; F68-W117 HydrophobicContact CE2-CD2 4.09Å; F68-W117 HydrophobicContact CE2-CE3 4.04Å; F68-W117 HydrophobicContact CE2-CG 4.1Å |
| 69 | Y | 93.8 | Very high | 91 | Very high | 75 Ų | 75 | 60 Ų | 60 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 176.2 | -176.2 | -111.6 | 0 | 0 | 0 | 111.7 | A65 L66 A67 V71 G72 I73 I107 A110 P114 | A65-Y69 WeakPolarHBondContact O-CB 3.22Å; A65-Y69 PolarHBondContact O-N 2.65Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 2.67Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.33Å; Y69-V71 PolarHBondContact O-N 2.82Å; Y69-G72 PolarHBondContact O-N 3.29Å; Y69-I73 HydrophobicContact CE1-CG1 4.17Å; Y69-I73 HydrophobicContact CE2-CD1 4.34Å; Y69-I73 HydrophobicContact CE2-CG1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.24Å; Y69-I73 PolarHBondContact O-N 3.29Å; Y69-I107 HydrophobicContact CE2-CG2 4.49Å; Y69-A110 HydrophobicContact CD2-CB 3.98Å; Y69-A110 HydrophobicContact CE2-CB 3.88Å; Y69-P114 HydrophobicContact CD2-CG 4.26Å |
| 70 | L | 94.2 | Very high | 90.8 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.6 | -68.5 | 174.6 | 0 | 0 | 0 | 111.9 | L66 A67 G72 I73 M74 | L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CD1-CG 4.3Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; L66-L70 HydrophobicContact CG-CG 4.48Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 3.01Å; A67-L70 PolarHBondContact O-N 3.17Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3.36Å; L70-I73 PolarHBondContact O-N 3.5Å; L70-M74 WeakPolarHBondContact O-CG 3.42Å; L70-M74 PolarHBondContact O-N 3.46Å |
| 71 | V | 90.1 | Very high | 90.6 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | A67 Y69 I73 M74 L75 | A67-V71 WeakPolarHBondContact O-CG2 3.2Å; A67-V71 PolarHBondContact O-N 3.26Å; Y69-V71 PolarHBondContact O-N 2.82Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.11Å; V71-M74 PolarHBondContact O-N 2.93Å; V71-L75 HydrophobicContact CG1-CD1 3.72Å; V71-L75 HydrophobicContact CG1-CG 4.21Å; V71-L75 WeakPolarHBondContact O-CG 3.44Å; V71-L75 PolarHBondContact O-N 3.23Å |
| 72 | G | 89.3 | Confident | 90.5 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F68 Y69 L70 N76 | F68-G72 PolarHBondContact O-N 3.46Å; Y69-G72 PolarHBondContact O-N 3.29Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3.36Å; G72-N76 WeakPolarHBondContact O-CB 3.4Å; G72-N76 PolarHBondContact O-N 3.26Å |
| 73 | I | 91.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 20% | 0.2 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.8 | -65.8 | -67.4 | 0 | 0 | 0 | 111.3 | Y69 L70 V71 N76 T79 I106 A110 | Y69-I73 HydrophobicContact CE1-CG1 4.17Å; Y69-I73 HydrophobicContact CE2-CD1 4.34Å; Y69-I73 HydrophobicContact CE2-CG1 4.4Å; Y69-I73 WeakPolarHBondContact O-CG1 3.24Å; Y69-I73 PolarHBondContact O-N 3.29Å; L70-I73 PolarHBondContact O-N 3.5Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.11Å; I73-N76 PolarHBondContact O-N 3.44Å; I73-T79 HydrophobicContact CG2-CG2 3.89Å; I73-T79 PolarHBondContact O-OG1 3.34Å; I73-I106 HydrophobicContact CD1-CG2 3.55Å; I73-A110 HydrophobicContact CD1-CB 3.55Å; I73-A110 HydrophobicContact CG1-CB 3.82Å |
| 74 | M | 90.5 | Very high | 90 | Very high | 120 Ų | 120 | 63.5 Ų | 63.5 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | -179 | -71.4 | 175.4 | 68.9 | 0 | 0 | 113.1 | L70 V71 N76 W80 | L70-M74 WeakPolarHBondContact O-CG 3.42Å; L70-M74 PolarHBondContact O-N 3.46Å; V71-M74 PolarHBondContact O-N 2.93Å; M74-N76 VanDerWaalsContact C-N 3.32Å; M74-W80 PolarHBondContact O-NE1 2.84Å |
| 75 | L | 85.4 | Confident | 89.6 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.8 | -13.2 | -179.3 | -65.7 | 178.1 | 0 | 0 | 0 | 113.3 | V71 K77 | V71-L75 HydrophobicContact CG1-CD1 3.72Å; V71-L75 HydrophobicContact CG1-CG 4.21Å; V71-L75 WeakPolarHBondContact O-CG 3.44Å; V71-L75 PolarHBondContact O-N 3.23Å; L75-K77 PolarHBondContact O-N 3.22Å |
| 76 | N | 86.7 | Confident | 89.3 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -81.1 | 109.6 | -178.1 | -172.5 | -13.8 | 0 | 0 | 0 | 111.4 | G72 I73 M74 S78 T79 | G72-N76 WeakPolarHBondContact O-CB 3.4Å; G72-N76 PolarHBondContact O-N 3.26Å; I73-N76 PolarHBondContact O-N 3.44Å; M74-N76 VanDerWaalsContact C-N 3.32Å; N76-S78 PolarHBondContact O-N 3.44Å; N76-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 VanDerWaalsContact OD1-CB 3.29Å; N76-S78 WeakPolarHBondContact OD1-CB 3.46Å; N76-S78 PolarHBondContact OD1-N 3.19Å; N76-S78 PolarHBondContact OD1-OG 3.03Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.48Å; N76-T79 PolarHBondContact O-OG1 2.93Å | ||
| 77 | K | 85.9 | Confident | 88.9 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -51.9 | -36.2 | 176.5 | -174.4 | 176.4 | -179.2 | 175.6 | 0 | 113.4 | L75 T79 W80 D81 H225 | L75-K77 PolarHBondContact O-N 3.22Å; K77-T79 PolarHBondContact O-N 3.39Å; K77-W80 PolarHBondContact O-N 2.85Å; K77-D81 PolarHBondContact O-N 2.93Å; K77-H225 PolarHBondContact NZ-CE1 3.39Å; K77-H225 VanDerWaalsContact NZ-CE1 3.28Å; K77-H225 PolarHBondContact NZ-ND1 2.76Å |
| 78 | S | 86.9 | Confident | 88.4 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.5 | -28.9 | -179.6 | -33.1 | 0 | 0 | 0 | 0 | 112.3 | N76 L82 R109 | N76-S78 PolarHBondContact O-N 3.44Å; N76-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 VanDerWaalsContact OD1-CB 3.29Å; N76-S78 WeakPolarHBondContact OD1-CB 3.46Å; N76-S78 PolarHBondContact OD1-N 3.19Å; N76-S78 PolarHBondContact OD1-OG 3.03Å; S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.46Å; S78-R109 PolarHBondContact OG-NH1 3.49Å |
| 79 | T | 89.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 172.5 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | I73 N76 K77 L82 V83 I106 | I73-T79 HydrophobicContact CG2-CG2 3.89Å; I73-T79 PolarHBondContact O-OG1 3.34Å; N76-T79 WeakPolarHBondContact O-CB 3.42Å; N76-T79 PolarHBondContact O-N 3.48Å; N76-T79 PolarHBondContact O-OG1 2.93Å; K77-T79 PolarHBondContact O-N 3.39Å; T79-L82 WeakPolarHBondContact O-CB 3.45Å; T79-L82 PolarHBondContact O-N 2.74Å; T79-V83 WeakPolarHBondContact O-CG2 3.11Å; T79-V83 PolarHBondContact O-N 2.86Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.33Å |
| 80 | W | 89.4 | Confident | 87.3 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 51% | 0.511 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72 | -33 | -178.3 | -57.9 | 111.6 | 0 | 0 | 0 | 112.5 | M74 K77 L82 V83 S84 | M74-W80 PolarHBondContact O-NE1 2.84Å; K77-W80 PolarHBondContact O-N 2.85Å; W80-L82 VanDerWaalsContact C-N 3.33Å; W80-V83 PolarHBondContact O-N 3.4Å; W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.27Å; W80-S84 PolarHBondContact O-OG 3.46Å |
| 81 | D | 87.1 | Confident | 86.5 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 171.2 | -71.9 | -21.1 | 0 | 0 | 0 | 111 | K77 E85 I281 | K77-D81 PolarHBondContact O-N 2.93Å; D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 3.36Å; D81-I281 HydrophobicContact CB-CG1 4.21Å |
| 82 | L | 88.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 175.4 | 179.8 | 62.1 | 0 | 0 | 0 | 112.2 | S78 T79 W80 S84 E85 C86 L94 V102 L103 I106 I281 | S78-L82 WeakPolarHBondContact O-CB 3.45Å; S78-L82 PolarHBondContact O-N 3.46Å; T79-L82 WeakPolarHBondContact O-CB 3.45Å; T79-L82 PolarHBondContact O-N 2.74Å; W80-L82 VanDerWaalsContact C-N 3.33Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; L82-E85 PolarHBondContact O-N 3.47Å; L82-C86 PolarHBondContact O-N 2.89Å; L82-L94 HydrophobicContact CD1-CD2 3.57Å; L82-V102 HydrophobicContact CB-CG1 4.47Å; L82-V102 HydrophobicContact CD1-CG1 4.44Å; L82-V102 HydrophobicContact CD2-CG1 4.27Å; L82-L103 HydrophobicContact CD2-CD2 3.74Å; L82-L103 HydrophobicContact CD2-CG 4.38Å; L82-I106 HydrophobicContact CB-CD1 4.37Å; L82-I106 HydrophobicContact CD2-CD1 3.87Å; L82-I281 HydrophobicContact CB-CD1 3.8Å; L82-I281 HydrophobicContact CD1-CD1 3.41Å; L82-I281 VanDerWaalsContact CD1-CD1 3.41Å; L82-I281 HydrophobicContact CG-CD1 4.2Å |
| 83 | V | 89.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 77 Ų | 77 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | T79 W80 C86 R87 | T79-V83 WeakPolarHBondContact O-CG2 3.11Å; T79-V83 PolarHBondContact O-N 2.86Å; W80-V83 PolarHBondContact O-N 3.4Å; V83-C86 PolarHBondContact O-N 3.02Å; V83-R87 WeakPolarHBondContact O-CB 3.17Å; V83-R87 PolarHBondContact O-N 3.01Å |
| 84 | S | 86.4 | Confident | 83.5 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | W80 L82 R87 L88 | W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.27Å; W80-S84 PolarHBondContact O-OG 3.46Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 2.85Å; S84-R87 PolarHBondContact O-N 3.06Å; S84-L88 VanDerWaalsContact O-CB 3.29Å; S84-L88 WeakPolarHBondContact O-CB 3.47Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.44Å; S84-L88 PolarHBondContact O-N 2.9Å |
| 85 | E | 84.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.2 | -170.5 | 65.7 | -166.1 | 0 | 0 | 111.5 | D81 L82 R89 I281 | D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 3.36Å; L82-E85 PolarHBondContact O-N 3.47Å; E85-R89 WeakPolarHBondContact O-CA 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 WeakPolarHBondContact OE1-CD 3.41Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.8Å; E85-R89 PolarHBondContact OE2-NH1 2.82Å; E85-I281 HydrophobicContact CB-CD1 4.47Å |
| 86 | C | 86.4 | Confident | 82.4 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 174.1 | -78.5 | 0 | 0 | 0 | 0 | 112.3 | L82 V83 R90 C91 | L82-C86 PolarHBondContact O-N 2.89Å; V83-C86 PolarHBondContact O-N 3.02Å; C86-R90 WeakPolarHBondContact O-CA 3.32Å; C86-R90 PolarHBondContact O-N 3.18Å; C86-C91 WeakPolarHBondContact CA-SG 3.45Å; C86-C91 HydrophobicContact CB-CB 4.09Å; C86-C91 WeakPolarHBondContact CB-SG 3.2Å; C86-C91 PolarHBondContact N-SG 3.14Å; C86-C91 VanDerWaalsContact N-SG 3.44Å; C86-C91 WeakPolarHBondContact SG-CB 2.96Å; C86-C91 CovalentContact SG-SG 2.04Å; C86-C91 PolarHBondContact SG-SG 3.1Å |
| 87 | R | 87.2 | Confident | 81.8 | Confident | 215 Ų | 215 | 73.1 Ų | 73.1 | 81% | 0.811 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.3 | -46.6 | 179.1 | -177.9 | -176.2 | 171.4 | -145 | -1.5 | 112 | V83 S84 | V83-R87 WeakPolarHBondContact O-CB 3.17Å; V83-R87 PolarHBondContact O-N 3.01Å; S84-R87 PolarHBondContact O-N 3.06Å |
| 88 | L | 82.3 | Confident | 81.5 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -80.4 | -32.9 | -174.5 | -66.4 | 173.7 | 0 | 0 | 0 | 112.8 | S84 N276 | S84-L88 VanDerWaalsContact O-CB 3.29Å; S84-L88 WeakPolarHBondContact O-CB 3.47Å; S84-L88 VanDerWaalsContact O-CG 3.31Å; S84-L88 WeakPolarHBondContact O-CG 3.44Å; S84-L88 PolarHBondContact O-N 2.9Å; L88-N276 HydrophobicContact CD1-CB 4.03Å; L88-N276 HydrophobicContact CD2-CB 4.23Å; L88-N276 WeakPolarHBondContact CD2-OD1 3.25Å |
| 89 | R | 80.9 | Confident | 81.2 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -128.5 | 12.9 | -169.9 | -65.4 | 165.9 | -175.9 | 106.9 | 17.1 | 113.8 | E85 C91 R92 N276 T279 | E85-R89 WeakPolarHBondContact O-CA 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.27Å; E85-R89 PolarHBondContact O-N 3.11Å; E85-R89 WeakPolarHBondContact OE1-CD 3.41Å; E85-R89 IonicContact OE1-NH1 2.87Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.8Å; E85-R89 PolarHBondContact OE2-NH1 2.82Å; R89-C91 PolarHBondContact O-N 3.47Å; R89-R92 PolarHBondContact O-N 3.28Å; R89-R92 VanDerWaalsContact O-N 3.15Å; R89-N276 PolarHBondContact NH2-O 2.83Å; R89-T279 PolarHBondContact NH1-O 3.46Å |
| 90 | R | 81 | Confident | 80.8 | Confident | 189 Ų | 189 | 75.7 Ų | 75.7 | 71% | 0.713 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 23.1 | -179.4 | -59.9 | -176.8 | -170.4 | 173.2 | 4 | 113.8 | C86 R92 | C86-R90 WeakPolarHBondContact O-CA 3.32Å; C86-R90 PolarHBondContact O-N 3.18Å; R90-R92 HydrophobicContact CB-CG 4.18Å; R90-R92 PolarHBondContact O-N 3.09Å |
| 91 | C | 78.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 18.5 | -174.2 | -87.3 | 0 | 0 | 0 | 0 | 114.9 | C86 R89 K93 L94 | C86-C91 WeakPolarHBondContact CA-SG 3.45Å; C86-C91 HydrophobicContact CB-CB 4.09Å; C86-C91 WeakPolarHBondContact CB-SG 3.2Å; C86-C91 PolarHBondContact N-SG 3.14Å; C86-C91 VanDerWaalsContact N-SG 3.44Å; C86-C91 WeakPolarHBondContact SG-CB 2.96Å; C86-C91 CovalentContact SG-SG 2.04Å; C86-C91 PolarHBondContact SG-SG 3.1Å; R89-C91 PolarHBondContact O-N 3.47Å; C91-K93 PolarHBondContact O-N 2.91Å; C91-K93 VanDerWaalsContact O-N 3.09Å; C91-L94 PolarHBondContact O-N 2.88Å |
| 92 | R | 69.1 | Low | 80.3 | Confident | 196 Ų | 196 | 71.4 Ų | 71.4 | 74% | 0.74 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.5 | -177.4 | -78.1 | -178.6 | 173.1 | -176.5 | -4.6 | 113.4 | R89 R90 | R89-R92 PolarHBondContact O-N 3.28Å; R89-R92 VanDerWaalsContact O-N 3.15Å; R90-R92 HydrophobicContact CB-CG 4.18Å; R90-R92 PolarHBondContact O-N 3.09Å |
| 93 | K | 66.3 | Low | 80.3 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 24% | 0.235 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2.3 | -174.2 | -58.2 | -173.5 | -171.8 | 170.8 | 0 | 114.2 | C91 S95 M315 | C91-K93 PolarHBondContact O-N 2.91Å; C91-K93 VanDerWaalsContact O-N 3.09Å; K93-S95 PolarHBondContact O-N 3.02Å; K93-M315 WeakPolarHBondContact CE-O 3.36Å; K93-M315 PolarHBondContact NZ-O 3.48Å |
| 94 | L | 71.3 | Confident | 80.1 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | trans | -87.6 | 96.5 | 178.7 | -164.4 | 66.7 | 0 | 0 | 0 | 107.4 | L82 C91 A98 A99 I281 | L82-L94 HydrophobicContact CD1-CD2 3.57Å; C91-L94 PolarHBondContact O-N 2.88Å; L94-A98 HydrophobicContact CD1-CB 3.81Å; L94-A98 HydrophobicContact CG-CB 4.43Å; L94-A99 HydrophobicContact CD2-CB 3.55Å; L94-A99 HydrophobicContact CG-CB 3.73Å; L94-I281 HydrophobicContact CD1-CD1 4.49Å | ||
| 95 | S | 76.9 | Confident | 80.1 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | trans | -51.4 | 145.8 | 171.3 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | K93 A97 A98 A99 | K93-S95 PolarHBondContact O-N 3.02Å; S95-A97 PolarHBondContact O-N 3.43Å; S95-A97 VanDerWaalsContact O-N 3.11Å; S95-A98 CarbonylContact O-C 3.59Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.14Å; S95-A99 PolarHBondContact O-N 2.95Å | ||
| 96 | G | 76 | Confident | 80.3 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -52.1 | -38 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | A99 F100 | G96-A99 PolarHBondContact O-N 2.81Å; G96-F100 WeakPolarHBondContact O-CB 3.4Å; G96-F100 PolarHBondContact O-N 3.13Å |
| 97 | A | 75.5 | Confident | 80.6 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 61% | 0.612 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S95 F100 A101 | S95-A97 PolarHBondContact O-N 3.43Å; S95-A97 VanDerWaalsContact O-N 3.11Å; A97-F100 PolarHBondContact O-N 3.19Å; A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.4Å |
| 98 | A | 78 | Confident | 80.6 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.1 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L94 S95 A101 V102 L283 | L94-A98 HydrophobicContact CD1-CB 3.81Å; L94-A98 HydrophobicContact CG-CB 4.43Å; S95-A98 CarbonylContact O-C 3.59Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.14Å; A98-A101 PolarHBondContact O-N 3.37Å; A98-V102 WeakPolarHBondContact O-CB 3.46Å; A98-V102 VanDerWaalsContact O-CG2 3.25Å; A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.28Å; A98-L283 HydrophobicContact CB-CD1 3.67Å; A98-L283 HydrophobicContact CB-CD2 4.02Å |
| 99 | A | 80.8 | Confident | 80.9 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L94 S95 G96 A101 V102 L103 | L94-A99 HydrophobicContact CD2-CB 3.55Å; L94-A99 HydrophobicContact CG-CB 3.73Å; S95-A99 PolarHBondContact O-N 2.95Å; G96-A99 PolarHBondContact O-N 2.81Å; A99-A101 PolarHBondContact O-N 2.98Å; A99-V102 PolarHBondContact O-N 3.42Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.49Å |
| 100 | F | 81.6 | Confident | 81.4 | Confident | 167 Ų | 167 | 70 Ų | 70 | 73% | 0.732 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 177.7 | -174.3 | -97.5 | 0 | 0 | 0 | 112.1 | G96 A97 G104 | G96-F100 WeakPolarHBondContact O-CB 3.4Å; G96-F100 PolarHBondContact O-N 3.13Å; A97-F100 PolarHBondContact O-N 3.19Å; F100-G104 PolarHBondContact O-N 3.4Å |
| 101 | A | 81.9 | Confident | 82 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A97 A98 A99 G104 T105 | A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 3.4Å; A98-A101 PolarHBondContact O-N 3.37Å; A99-A101 PolarHBondContact O-N 2.98Å; A101-G104 PolarHBondContact O-N 2.86Å; A101-T105 WeakPolarHBondContact O-CG2 3.45Å; A101-T105 PolarHBondContact O-N 3.04Å |
| 102 | V | 84.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L82 A98 A99 G104 T105 I106 I281 | L82-V102 HydrophobicContact CB-CG1 4.47Å; L82-V102 HydrophobicContact CD1-CG1 4.44Å; L82-V102 HydrophobicContact CD2-CG1 4.27Å; A98-V102 WeakPolarHBondContact O-CB 3.46Å; A98-V102 VanDerWaalsContact O-CG2 3.25Å; A98-V102 WeakPolarHBondContact O-CG2 3.35Å; A98-V102 PolarHBondContact O-N 3.28Å; A99-V102 PolarHBondContact O-N 3.42Å; V102-G104 VanDerWaalsContact C-N 3.3Å; V102-G104 PolarHBondContact O-N 2.99Å; V102-T105 PolarHBondContact O-N 2.96Å; V102-T105 VanDerWaalsContact O-N 3.12Å; V102-T105 PolarHBondContact O-OG1 3.43Å; V102-I106 HydrophobicContact CG1-CD1 3.83Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.26Å; V102-I281 HydrophobicContact CG1-CD1 3.9Å; V102-I281 HydrophobicContact CG2-CD1 4.25Å; V102-I281 HydrophobicContact CG2-CG2 4.25Å |
| 103 | L | 87.7 | Confident | 83.5 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.6 | -72.5 | 170.9 | 0 | 0 | 0 | 111.4 | L82 A99 T105 I106 I107 | L82-L103 HydrophobicContact CD2-CD2 3.74Å; L82-L103 HydrophobicContact CD2-CG 4.38Å; A99-L103 WeakPolarHBondContact O-CB 3.39Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.49Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 3.07Å; L103-I106 PolarHBondContact O-N 3.03Å; L103-I106 VanDerWaalsContact O-N 3.12Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.55Å |
| 104 | G | 85.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F100 A101 V102 G108 | F100-G104 PolarHBondContact O-N 3.4Å; A101-G104 PolarHBondContact O-N 2.86Å; V102-G104 VanDerWaalsContact C-N 3.3Å; V102-G104 PolarHBondContact O-N 2.99Å; G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 3.48Å |
| 105 | T | 85.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | A101 V102 L103 R109 | A101-T105 WeakPolarHBondContact O-CG2 3.45Å; A101-T105 PolarHBondContact O-N 3.04Å; V102-T105 PolarHBondContact O-N 2.96Å; V102-T105 VanDerWaalsContact O-N 3.12Å; V102-T105 PolarHBondContact O-OG1 3.43Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 3.07Å; T105-R109 WeakPolarHBondContact O-CB 3.4Å; T105-R109 VanDerWaalsContact O-CG 3.3Å; T105-R109 WeakPolarHBondContact O-CG 3.29Å; T105-R109 PolarHBondContact O-N 2.92Å |
| 106 | I | 89.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.3 | -54.5 | 178.2 | -68.2 | 163.4 | 0 | 0 | 0 | 110 | I73 T79 L82 V102 L103 R109 A110 | I73-I106 HydrophobicContact CD1-CG2 3.55Å; T79-I106 WeakPolarHBondContact OG1-CG2 3.33Å; L82-I106 HydrophobicContact CB-CD1 4.37Å; L82-I106 HydrophobicContact CD2-CD1 3.87Å; V102-I106 HydrophobicContact CG1-CD1 3.83Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3.26Å; L103-I106 PolarHBondContact O-N 3.03Å; L103-I106 VanDerWaalsContact O-N 3.12Å; I106-R109 PolarHBondContact O-N 2.87Å; I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3Å |
| 107 | I | 92.3 | Very high | 87.3 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 42% | 0.415 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | -179.7 | -64.4 | 168.6 | 0 | 0 | 0 | 109.8 | Y69 L103 R109 A110 A111 | Y69-I107 HydrophobicContact CE2-CG2 4.49Å; L103-I107 WeakPolarHBondContact O-CB 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.55Å; I107-R109 PolarHBondContact O-N 3.36Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-A111 WeakPolarHBondContact O-CB 3.37Å; I107-A111 PolarHBondContact O-N 2.85Å |
| 108 | G | 87.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G104 | G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 3.48Å |
| 109 | R | 88.1 | Confident | 88.8 | Confident | 161 Ų | 161 | 53.5 Ų | 53.5 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | 175.7 | -73.1 | 178.1 | -179.7 | 157.4 | 1 | 112.4 | S78 T105 I106 I107 A111 | S78-R109 PolarHBondContact OG-NH1 3.49Å; T105-R109 WeakPolarHBondContact O-CB 3.4Å; T105-R109 VanDerWaalsContact O-CG 3.3Å; T105-R109 WeakPolarHBondContact O-CG 3.29Å; T105-R109 PolarHBondContact O-N 2.92Å; I106-R109 PolarHBondContact O-N 2.87Å; I107-R109 PolarHBondContact O-N 3.36Å; R109-A111 VanDerWaalsContact C-N 3.32Å |
| 110 | A | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.6 | -26.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y69 I73 I106 I107 V112 P114 | Y69-A110 HydrophobicContact CD2-CB 3.98Å; Y69-A110 HydrophobicContact CE2-CB 3.88Å; I73-A110 HydrophobicContact CD1-CB 3.55Å; I73-A110 HydrophobicContact CG1-CB 3.82Å; I106-A110 WeakPolarHBondContact O-CB 3.32Å; I106-A110 PolarHBondContact O-N 3Å; I107-A110 PolarHBondContact O-N 2.94Å; A110-V112 VanDerWaalsContact C-N 3.33Å; A110-V112 PolarHBondContact O-N 3.44Å; A110-P114 WeakPolarHBondContact O-CD 3.4Å |
| 111 | A | 93.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I107 R109 P114 V115 | I107-A111 WeakPolarHBondContact O-CB 3.37Å; I107-A111 PolarHBondContact O-N 2.85Å; R109-A111 VanDerWaalsContact C-N 3.32Å; A111-P114 VanDerWaalsContact C-CD 3.48Å; A111-P114 WeakPolarHBondContact O-CD 3.45Å; A111-P114 VanDerWaalsContact O-CG 3.26Å; A111-P114 WeakPolarHBondContact O-CG 3.43Å; A111-V115 VanDerWaalsContact O-CB 3.29Å; A111-V115 WeakPolarHBondContact O-CB 3.36Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3Å; A111-V115 VanDerWaalsContact O-N 3.11Å |
| 112 | V | 89.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -57.3 | -177.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | A110 V115 T116 | A110-V112 VanDerWaalsContact C-N 3.33Å; A110-V112 PolarHBondContact O-N 3.44Å; V112-V115 PolarHBondContact O-N 3.43Å; V112-T116 WeakPolarHBondContact O-CB 3.42Å; V112-T116 PolarHBondContact O-N 3.4Å; V112-T116 PolarHBondContact O-OG1 2.72Å |
| 113 | A | 88.1 | Confident | 90.6 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F68 V115 T116 W117 | F68-A113 HydrophobicContact CB-CB 3.92Å; F68-A113 HydrophobicContact CG-CB 4.3Å; A113-V115 PolarHBondContact O-N 3.33Å; A113-T116 PolarHBondContact O-N 2.82Å; A113-W117 PolarHBondContact O-N 2.98Å |
| 114 | P | 94.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 178.1 | 22.6 | -33.5 | 0 | 0 | 0 | 113.6 | A65 Y69 A110 A111 W117 A118 | A65-P114 HydrophobicContact CB-CB 3.85Å; A65-P114 WeakPolarHBondContact O-CB 3.16Å; Y69-P114 HydrophobicContact CD2-CG 4.26Å; A110-P114 WeakPolarHBondContact O-CD 3.4Å; A111-P114 VanDerWaalsContact C-CD 3.48Å; A111-P114 WeakPolarHBondContact O-CD 3.45Å; A111-P114 VanDerWaalsContact O-CG 3.26Å; A111-P114 WeakPolarHBondContact O-CG 3.43Å; P114-W117 PolarHBondContact O-N 3.5Å; P114-A118 WeakPolarHBondContact O-CB 3.29Å; P114-A118 PolarHBondContact O-N 3.44Å |
| 115 | V | 93.3 | Very high | 91 | Very high | 32 Ų | 32 | 48 Ų | 48 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 174.8 | 165.8 | 0 | 0 | 0 | 0 | 110.3 | A111 V112 A113 W117 A118 V119 M188 M192 | A111-V115 VanDerWaalsContact O-CB 3.29Å; A111-V115 WeakPolarHBondContact O-CB 3.36Å; A111-V115 WeakPolarHBondContact O-CG2 3.5Å; A111-V115 PolarHBondContact O-N 3Å; A111-V115 VanDerWaalsContact O-N 3.11Å; V112-V115 PolarHBondContact O-N 3.43Å; A113-V115 PolarHBondContact O-N 3.33Å; V115-W117 VanDerWaalsContact C-N 3.32Å; V115-W117 PolarHBondContact O-N 2.92Å; V115-A118 PolarHBondContact O-N 3.41Å; V115-V119 HydrophobicContact CG1-CG2 4.48Å; V115-V119 WeakPolarHBondContact O-CG2 3.25Å; V115-V119 PolarHBondContact O-N 3.3Å; V115-M188 HydrophobicContact CB-CE 4.48Å; V115-M188 HydrophobicContact CG1-CE 4.07Å; V115-M188 HydrophobicContact CG2-CE 4.33Å; V115-M192 HydrophobicContact CG1-CE 4.2Å; V115-M192 HydrophobicContact CG1-CG 3.9Å; V115-M192 HydrophobicContact CG1-SD 4.28Å; V115-M192 HydrophobicContact CG2-CE 4.4Å |
| 116 | T | 90.3 | Very high | 91.2 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | V112 A113 V119 I120 | V112-T116 WeakPolarHBondContact O-CB 3.42Å; V112-T116 PolarHBondContact O-N 3.4Å; V112-T116 PolarHBondContact O-OG1 2.72Å; A113-T116 PolarHBondContact O-N 2.82Å; T116-V119 PolarHBondContact O-N 2.96Å; T116-I120 HydrophobicContact CG2-CD1 3.79Å; T116-I120 HydrophobicContact CG2-CG1 4.45Å; T116-I120 VanDerWaalsContact O-CG1 3.28Å; T116-I120 WeakPolarHBondContact O-CG1 3.37Å; T116-I120 PolarHBondContact O-N 3.2Å |
| 117 | W | 92.7 | Very high | 91.3 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.6 | 173.3 | -100.2 | 0 | 0 | 0 | 112.5 | I61 P64 F68 A113 P114 V115 V119 I120 S121 | I61-W117 VanDerWaalsContact O-CD1 3.27Å; I61-W117 PolarHBondContact O-NE1 3.22Å; I61-W117 VanDerWaalsContact O-NE1 3.08Å; P64-W117 HydrophobicContact CB-CD2 4.2Å; P64-W117 HydrophobicContact CB-CG 4.49Å; P64-W117 HydrophobicContact CB-CZ2 3.91Å; P64-W117 HydrophobicContact CG-CZ2 3.82Å; F68-W117 HydrophobicContact CD2-CB 4.01Å; F68-W117 HydrophobicContact CD2-CG 4.28Å; F68-W117 HydrophobicContact CE2-CB 4.06Å; F68-W117 HydrophobicContact CE2-CD2 4.09Å; F68-W117 HydrophobicContact CE2-CE3 4.04Å; F68-W117 HydrophobicContact CE2-CG 4.1Å; A113-W117 PolarHBondContact O-N 2.98Å; P114-W117 PolarHBondContact O-N 3.5Å; V115-W117 VanDerWaalsContact C-N 3.32Å; V115-W117 PolarHBondContact O-N 2.92Å; W117-V119 PolarHBondContact O-N 3.19Å; W117-I120 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact NE1-OG 2.97Å; W117-S121 WeakPolarHBondContact O-CB 3.43Å; W117-S121 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact O-OG 3.41Å |
| 118 | A | 92.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P114 V115 S121 L122 M188 | P114-A118 WeakPolarHBondContact O-CB 3.29Å; P114-A118 PolarHBondContact O-N 3.44Å; V115-A118 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-N 3.41Å; A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.26Å; A118-L122 PolarHBondContact O-N 3.37Å; A118-M188 HydrophobicContact CB-CE 4.12Å; A118-M188 HydrophobicContact CB-SD 4.31Å |
| 119 | V | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 175.1 | 167.6 | 0 | 0 | 0 | 0 | 111 | V115 T116 W117 S121 L122 L123 M188 V189 | V115-V119 HydrophobicContact CG1-CG2 4.48Å; V115-V119 WeakPolarHBondContact O-CG2 3.25Å; V115-V119 PolarHBondContact O-N 3.3Å; T116-V119 PolarHBondContact O-N 2.96Å; W117-V119 PolarHBondContact O-N 3.19Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.96Å; V119-L122 PolarHBondContact O-N 3.07Å; V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.1Å; V119-L123 PolarHBondContact O-N 3.03Å; V119-M188 HydrophobicContact CG2-CB 4.35Å; V119-M188 HydrophobicContact CG2-CG 4.06Å; V119-M188 HydrophobicContact CG2-SD 3.74Å; V119-V189 HydrophobicContact CB-CG2 4.38Å; V119-V189 HydrophobicContact CG1-CG2 3.44Å; V119-V189 VanDerWaalsContact CG1-CG2 3.44Å; V119-V189 HydrophobicContact CG2-CG2 3.96Å |
| 120 | I | 90.4 | Very high | 92 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 35% | 0.354 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 179.4 | -69.4 | 168.6 | 0 | 0 | 0 | 110.7 | T116 W117 L123 R124 | T116-I120 HydrophobicContact CG2-CD1 3.79Å; T116-I120 HydrophobicContact CG2-CG1 4.45Å; T116-I120 VanDerWaalsContact O-CG1 3.28Å; T116-I120 WeakPolarHBondContact O-CG1 3.37Å; T116-I120 PolarHBondContact O-N 3.2Å; W117-I120 PolarHBondContact O-N 2.95Å; I120-L123 PolarHBondContact O-N 3.43Å; I120-R124 WeakPolarHBondContact O-CG 3.41Å; I120-R124 PolarHBondContact O-N 3.42Å |
| 121 | S | 91.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | W117 A118 V119 R124 G125 | W117-S121 PolarHBondContact NE1-OG 2.97Å; W117-S121 WeakPolarHBondContact O-CB 3.43Å; W117-S121 PolarHBondContact O-N 2.95Å; W117-S121 PolarHBondContact O-OG 3.41Å; A118-S121 PolarHBondContact O-N 3.41Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.96Å; S121-R124 PolarHBondContact O-N 2.91Å; S121-G125 PolarHBondContact O-N 3.11Å |
| 122 | L | 92.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 176.6 | -73.6 | 170.9 | 0 | 0 | 0 | 112.4 | A118 V119 G125 Y128 S181 M188 | A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.26Å; A118-L122 PolarHBondContact O-N 3.37Å; V119-L122 PolarHBondContact O-N 3.07Å; L122-G125 PolarHBondContact O-N 3.43Å; L122-Y128 HydrophobicContact CD2-CD2 3.94Å; L122-S181 WeakPolarHBondContact CA-OG 3.45Å; L122-S181 CarbonylContact O-C 3.51Å; L122-S181 WeakPolarHBondContact O-CB 3.48Å; L122-S181 PolarHBondContact O-OG 3.33Å; L122-M188 HydrophobicContact CD1-SD 4.2Å |
| 123 | L | 91.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.3 | -33 | 177.7 | -69.2 | 177.1 | 0 | 0 | 0 | 112.4 | V119 I120 Q182 W186 | V119-L123 HydrophobicContact CG1-CD1 3.79Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 WeakPolarHBondContact O-CB 3.48Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.1Å; V119-L123 PolarHBondContact O-N 3.03Å; I120-L123 PolarHBondContact O-N 3.43Å; L123-Q182 WeakPolarHBondContact O-CG 3.19Å; L123-Q182 PolarHBondContact O-NE2 3.08Å; L123-W186 HydrophobicContact CD2-CD2 4.27Å; L123-W186 HydrophobicContact CD2-CG 4.23Å |
| 124 | R | 90.6 | Very high | 92.2 | Very high | 114 Ų | 114 | 32.5 Ų | 32.5 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 169.2 | -73.9 | -179 | -176.8 | -179.5 | 2.4 | 111.6 | I120 S121 E126 | I120-R124 WeakPolarHBondContact O-CG 3.41Å; I120-R124 PolarHBondContact O-N 3.42Å; S121-R124 PolarHBondContact O-N 2.91Å; R124-E126 PolarHBondContact O-N 3.22Å |
| 125 | G | 90.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 78.7 | -10.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | S121 L122 A127 Y128 V129 S181 | S121-G125 PolarHBondContact O-N 3.11Å; L122-G125 PolarHBondContact O-N 3.43Å; G125-A127 PolarHBondContact O-N 2.94Å; G125-Y128 PolarHBondContact O-N 3.36Å; G125-V129 WeakPolarHBondContact O-CB 3.33Å; G125-V129 WeakPolarHBondContact O-CG2 3.27Å; G125-V129 PolarHBondContact O-N 3.2Å; G125-S181 WeakPolarHBondContact CA-OG 3.43Å | ||
| 126 | E | 91.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 36.6 Ų | 36.6 | 35% | 0.346 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.8 | -48.8 | -178.5 | -65.2 | 167.6 | -175.9 | 0 | 0 | 112.7 | F44 R124 Y128 V129 C130 | F44-E126 HydrophobicContact CD1-CB 3.94Å; F44-E126 HydrophobicContact CE1-CB 4.37Å; R124-E126 PolarHBondContact O-N 3.22Å; E126-Y128 PolarHBondContact O-N 3.48Å; E126-V129 PolarHBondContact O-N 2.84Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.06Å |
| 127 | A | 92.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F44 I61 G125 A131 | F44-A127 HydrophobicContact CE1-CB 4.42Å; F44-A127 HydrophobicContact CE2-CB 4.09Å; F44-A127 HydrophobicContact CZ-CB 4.02Å; I61-A127 HydrophobicContact CD1-CB 3.88Å; I61-A127 HydrophobicContact CG1-CB 3.74Å; G125-A127 PolarHBondContact O-N 2.94Å; A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.15Å; A127-A131 PolarHBondContact O-N 3.12Å |
| 128 | Y | 94.4 | Very high | 91 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 14% | 0.137 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -45.1 | 176.4 | -173.8 | -85.2 | 0 | 0 | 0 | 111.6 | L122 G125 E126 C130 A131 L132 L177 E180 S181 L184 | L122-Y128 HydrophobicContact CD2-CD2 3.94Å; G125-Y128 PolarHBondContact O-N 3.36Å; E126-Y128 PolarHBondContact O-N 3.48Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 2.85Å; Y128-A131 PolarHBondContact O-N 2.99Å; Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 4.4Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD1 3.51Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 HydrophobicContact CE2-CD1 3.68Å; Y128-L132 HydrophobicContact CE2-CG 4.46Å; Y128-L132 PolarHBondContact O-N 3.12Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.47Å; Y128-L177 WeakPolarHBondContact CD1-O 3.37Å; Y128-L177 HydrophobicContact CE1-CD2 4.4Å; Y128-E180 HydrophobicContact CE1-CB 3.88Å; Y128-S181 WeakPolarHBondContact CB-OG 3.39Å; Y128-L184 HydrophobicContact CD2-CD1 4.5Å; Y128-L184 HydrophobicContact CE2-CD1 3.51Å |
| 129 | V | 93.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | G125 E126 A131 S133 P157 L177 K178 | G125-V129 WeakPolarHBondContact O-CB 3.33Å; G125-V129 WeakPolarHBondContact O-CG2 3.27Å; G125-V129 PolarHBondContact O-N 3.2Å; E126-V129 PolarHBondContact O-N 2.84Å; V129-A131 PolarHBondContact O-N 3.39Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.42Å; V129-S133 PolarHBondContact O-N 3.43Å; V129-P157 HydrophobicContact CG1-CB 4.48Å; V129-P157 HydrophobicContact CG1-CG 4.45Å; V129-L177 HydrophobicContact CB-CB 4.39Å; V129-L177 HydrophobicContact CG1-CD1 4.25Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-K178 HydrophobicContact CG2-CG 3.68Å |
| 130 | C | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | F44 C46 N53 E126 Y128 | F44-C130 HydrophobicContact CE1-CB 3.64Å; F44-C130 HydrophobicContact CZ-CB 3.59Å; C46-C130 HydrophobicContact CB-CB 3.75Å; C46-C130 WeakPolarHBondContact CB-SG 3.29Å; C46-C130 WeakPolarHBondContact SG-CB 3.27Å; C46-C130 CovalentContact SG-SG 2.04Å; C46-C130 PolarHBondContact SG-SG 2.94Å; N53-C130 VanDerWaalsContact CB-O 3.29Å; N53-C130 WeakPolarHBondContact CB-O 3.16Å; E126-C130 WeakPolarHBondContact O-CB 3.43Å; E126-C130 PolarHBondContact O-N 3.06Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 2.85Å |
| 131 | A | 94 | Very high | 89.7 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A127 Y128 V129 | A127-A131 VanDerWaalsContact O-CB 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.15Å; A127-A131 PolarHBondContact O-N 3.12Å; Y128-A131 PolarHBondContact O-N 2.99Å; V129-A131 PolarHBondContact O-N 3.39Å |
| 132 | L | 93.7 | Very high | 89.2 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -105.1 | -6 | -172.7 | -68.2 | -166.3 | 0 | 0 | 0 | 115.2 | Y128 E134 F135 L177 | Y128-L132 HydrophobicContact CD1-CD1 4.24Å; Y128-L132 HydrophobicContact CD2-CD1 4.4Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD1 3.51Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 HydrophobicContact CE2-CD1 3.68Å; Y128-L132 HydrophobicContact CE2-CG 4.46Å; Y128-L132 PolarHBondContact O-N 3.12Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.47Å; L132-E134 PolarHBondContact O-N 2.99Å; L132-F135 HydrophobicContact CD2-CD2 3.82Å; L132-F135 HydrophobicContact CD2-CE2 4.46Å; L132-F135 PolarHBondContact O-N 3.39Å; L132-L177 HydrophobicContact CB-CD2 4.02Å |
| 133 | S | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -55.3 | -39.1 | -179.7 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | N53 V129 F135 V136 M153 P157 | N53-S133 PolarHBondContact ND2-OG 3.41Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.42Å; V129-S133 PolarHBondContact O-N 3.43Å; S133-F135 PolarHBondContact O-N 2.68Å; S133-V136 PolarHBondContact O-N 3.35Å; S133-M153 CarbonylContact C-O 3.6Å; S133-M153 WeakPolarHBondContact CB-O 3.25Å; S133-M153 WeakPolarHBondContact O-CB 3.44Å; S133-M153 PolarHBondContact OG-O 2.86Å; S133-M153 VanDerWaalsContact OG-O 3.14Å; S133-P157 VanDerWaalsContact OG-CD 3.31Å; S133-P157 WeakPolarHBondContact OG-CD 3.21Å; S133-P157 WeakPolarHBondContact OG-CG 3.37Å |
| 134 | E | 89 | Confident | 87.8 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -68.1 | -20.4 | 180 | 67.8 | -175.9 | 173.1 | 0 | 0 | 113.7 | S50 G51 Y54 L132 L150 A154 | S50-E134 WeakPolarHBondContact CA-OE2 3.22Å; G51-E134 PolarHBondContact N-OE2 3.09Å; Y54-E134 WeakPolarHBondContact CB-OE1 3.26Å; L132-E134 PolarHBondContact O-N 2.99Å; E134-L150 WeakPolarHBondContact O-CD2 3.49Å; E134-A154 HydrophobicContact CB-CB 4.14Å |
| 135 | F | 89.4 | Confident | 87.1 | Confident | 121 Ų | 121 | 45.3 Ų | 45.3 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -98.3 | 3.7 | -178 | -59.3 | -69.7 | 0 | 0 | 0 | 113.8 | Y54 L132 S133 D137 | Y54-F135 AromaticContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CD2-CE2 3.83Å; Y54-F135 HydrophobicContact CG-CE2 4.05Å; Y54-F135 HydrophobicContact CG-CZ 4.47Å; L132-F135 HydrophobicContact CD2-CD2 3.82Å; L132-F135 HydrophobicContact CD2-CE2 4.46Å; L132-F135 PolarHBondContact O-N 3.39Å; S133-F135 PolarHBondContact O-N 2.68Å; F135-D137 PolarHBondContact O-N 3.47Å |
| 136 | V | 88.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | trans | -69.2 | 123.4 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | S133 P138 M153 I173 L177 | S133-V136 PolarHBondContact O-N 3.35Å; V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.19Å; V136-M153 HydrophobicContact CB-SD 4.4Å; V136-I173 HydrophobicContact CG2-CG2 4.32Å; V136-L177 HydrophobicContact CG2-CD1 3.91Å; V136-L177 HydrophobicContact CG2-CD2 3.86Å; V136-L177 HydrophobicContact CG2-CG 4.11Å | ||
| 137 | D | 86.2 | Confident | 84.8 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | trans | -70.7 | 114.5 | 176.7 | -174.7 | -11.6 | 0 | 0 | 0 | 110.4 | F135 S139 T140 | F135-D137 PolarHBondContact O-N 3.47Å; D137-S139 PolarHBondContact O-N 2.95Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.98Å; D137-S139 PolarHBondContact OD1-OG 3.42Å; D137-S139 PolarHBondContact OD2-OG 3.39Å; D137-T140 HydrophobicContact CB-CG2 4.1Å; D137-T140 PolarHBondContact O-N 2.54Å; D137-T140 VanDerWaalsContact O-N 3.16Å; D137-T140 PolarHBondContact O-OG1 2.87Å | ||
| 138 | P | 83.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -63.5 | -23.6 | -178.7 | -18 | 30.8 | 0 | 0 | 0 | 113.5 | V136 T140 L141 F144 M153 | V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.19Å; P138-T140 PolarHBondContact O-N 3.37Å; P138-L141 PolarHBondContact O-N 2.83Å; P138-L141 VanDerWaalsContact O-N 3.16Å; P138-F144 HydrophobicContact CB-CD1 3.48Å; P138-F144 VanDerWaalsContact CB-CD1 3.48Å; P138-F144 HydrophobicContact CB-CE1 3.67Å; P138-F144 HydrophobicContact CB-CG 4.25Å; P138-F144 HydrophobicContact CG-CE1 4.41Å; P138-M153 HydrophobicContact CB-CE 4.15Å; P138-M153 HydrophobicContact CG-CE 4.09Å; P138-M153 HydrophobicContact CG-CG 4.28Å |
| 139 | S | 81.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -67.3 | -18.7 | 178.7 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | D137 L141 | D137-S139 PolarHBondContact O-N 2.95Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.98Å; D137-S139 PolarHBondContact OD1-OG 3.42Å; D137-S139 PolarHBondContact OD2-OG 3.39Å; S139-L141 PolarHBondContact O-N 2.84Å |
| 140 | T | 84.1 | Confident | 81.2 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -80.3 | -4.2 | 176.5 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | D137 P138 R176 | D137-T140 HydrophobicContact CB-CG2 4.1Å; D137-T140 PolarHBondContact O-N 2.54Å; D137-T140 VanDerWaalsContact O-N 3.16Å; D137-T140 PolarHBondContact O-OG1 2.87Å; P138-T140 PolarHBondContact O-N 3.37Å; T140-R176 PolarHBondContact OG1-NH1 3.32Å |
| 141 | L | 82.3 | Confident | 80.4 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -105.9 | 115.7 | 179.5 | -63.4 | 167.5 | 0 | 0 | 0 | 109.8 | P138 S139 G143 F144 M153 F169 E172 I173 | P138-L141 PolarHBondContact O-N 2.83Å; P138-L141 VanDerWaalsContact O-N 3.16Å; S139-L141 PolarHBondContact O-N 2.84Å; L141-G143 PolarHBondContact O-N 2.92Å; L141-F144 HydrophobicContact CB-CB 3.81Å; L141-F144 HydrophobicContact CB-CG 4.43Å; L141-F144 HydrophobicContact CD1-CD2 4.06Å; L141-F144 HydrophobicContact CD1-CG 4.43Å; L141-F144 WeakPolarHBondContact O-CB 3.3Å; L141-F144 PolarHBondContact O-N 3.4Å; L141-M153 HydrophobicContact CD1-CE 4.47Å; L141-F169 HydrophobicContact CB-CD1 4.41Å; L141-E172 HydrophobicContact CD2-CG 4.26Å; L141-I173 HydrophobicContact CD1-CD1 3.67Å; L141-I173 HydrophobicContact CD1-CG1 3.83Å; L141-I173 HydrophobicContact CD2-CG1 4.08Å |
| 142 | E | 80.3 | Confident | 79.9 | Confident | 186 Ų | 186 | 65.7 Ų | 65.7 | 87% | 0.869 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 125.5 | 179.7 | -71.3 | -171.9 | 172.6 | 0 | 0 | 111.4 | F144 F169 | E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.9Å; E142-F169 WeakPolarHBondContact O-CE1 3.37Å |
| 143 | G | 75.9 | Confident | 79.5 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 75% | 0.753 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L141 | L141-G143 PolarHBondContact O-N 2.92Š|
| 144 | F | 79.8 | Confident | 79.3 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -71 | 132.8 | 173.3 | -166.1 | -90.1 | 0 | 0 | 0 | 111.1 | P138 L141 E142 S146 Q148 M153 F156 M166 F169 | P138-F144 HydrophobicContact CB-CD1 3.48Å; P138-F144 VanDerWaalsContact CB-CD1 3.48Å; P138-F144 HydrophobicContact CB-CE1 3.67Å; P138-F144 HydrophobicContact CB-CG 4.25Å; P138-F144 HydrophobicContact CG-CE1 4.41Å; L141-F144 HydrophobicContact CB-CB 3.81Å; L141-F144 HydrophobicContact CB-CG 4.43Å; L141-F144 HydrophobicContact CD1-CD2 4.06Å; L141-F144 HydrophobicContact CD1-CG 4.43Å; L141-F144 WeakPolarHBondContact O-CB 3.3Å; L141-F144 PolarHBondContact O-N 3.4Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.9Å; F144-S146 PolarHBondContact O-N 3.43Å; F144-Q148 HydrophobicContact CE1-CB 4.01Å; F144-Q148 HydrophobicContact CZ-CB 4.37Å; F144-M153 HydrophobicContact CD1-CE 4.43Å; F144-M153 HydrophobicContact CD2-CE 4.18Å; F144-M153 HydrophobicContact CE1-CE 3.66Å; F144-M153 HydrophobicContact CE2-CE 3.38Å; F144-M153 HydrophobicContact CZ-CE 3.07Å; F144-F156 HydrophobicContact CE2-CZ 4.17Å; F144-M166 HydrophobicContact CE2-CG 4.34Å; F144-M166 HydrophobicContact CE2-SD 4.33Å; F144-M166 HydrophobicContact CZ-SD 4.25Å; F144-F169 AromaticContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CE2 4.2Å; F144-F169 HydrophobicContact CD2-CG 4.18Å; F144-F169 HydrophobicContact CE2-CD2 4.45Å |
| 145 | P | 76.1 | Confident | 79.2 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 129.1 | -175.9 | 22.7 | -31.7 | 0 | 0 | 0 | 112.3 | Q148 M166 | P145-Q148 HydrophobicContact CB-CG 4.49Å; P145-Q148 HydrophobicContact CG-CG 4.3Å; P145-M166 HydrophobicContact CG-CE 3.53Å |
| 146 | S | 65.8 | Low | 79.1 | Confident | 126 Ų | 126 | 62 Ų | 62 | 88% | 0.881 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 136.8 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | F144 | F144-S146 PolarHBondContact O-N 3.43Š|
| 147 | G | 66.7 | Low | 79 | Confident | 86 Ų | 86 | 63 Ų | 63 | 89% | 0.887 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | -1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 148 | Q | 65.8 | Low | 79.1 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | trans | -92.4 | 114.6 | 170.8 | -60.6 | -147.5 | 27.3 | 0 | 0 | 110.3 | F144 P145 V152 M166 | F144-Q148 HydrophobicContact CE1-CB 4.01Å; F144-Q148 HydrophobicContact CZ-CB 4.37Å; P145-Q148 HydrophobicContact CB-CG 4.49Å; P145-Q148 HydrophobicContact CG-CG 4.3Å; Q148-V152 HydrophobicContact CB-CG2 4.32Å; Q148-M166 HydrophobicContact CG-CE 4.26Å | ||
| 149 | G | 70.2 | Confident | 78.9 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | -102.3 | -157.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | E151 V152 M153 | G149-E151 PolarHBondContact O-N 3.31Å; G149-E151 VanDerWaalsContact O-N 3.1Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-V152 VanDerWaalsContact O-N 3.11Å; G149-M153 PolarHBondContact O-N 3.25Å | ||
| 150 | L | 68.1 | Low | 78.6 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 56% | 0.56 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -46.3 | -36.5 | -179.3 | -69.2 | 155.7 | 0 | 0 | 0 | 114.2 | E134 M153 A154 | E134-L150 WeakPolarHBondContact O-CD2 3.49Å; L150-M153 PolarHBondContact O-N 3.29Å; L150-A154 PolarHBondContact O-N 3.4Å |
| 151 | E | 78.3 | Confident | 78.3 | Confident | 119 Ų | 119 | 65.1 Ų | 65.1 | 56% | 0.556 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69.5 | -35.3 | -176.2 | -163.7 | -176.1 | 160.4 | 0 | 0 | 113 | G149 R155 | G149-E151 PolarHBondContact O-N 3.31Å; G149-E151 VanDerWaalsContact O-N 3.1Å; E151-R155 IonicContact OE1-NH2 3.42Å; E151-R155 PolarHBondContact OE1-NH2 2.64Å |
| 152 | V | 83.5 | Confident | 78.2 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.8 | -41.4 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | Q148 G149 A154 R155 F156 M166 | Q148-V152 HydrophobicContact CB-CG2 4.32Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-V152 VanDerWaalsContact O-N 3.11Å; V152-A154 VanDerWaalsContact C-N 3.29Å; V152-A154 PolarHBondContact O-N 3.25Å; V152-R155 PolarHBondContact O-N 2.88Å; V152-F156 HydrophobicContact CG1-CE2 4.05Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 WeakPolarHBondContact O-CE2 3.22Å; V152-M166 HydrophobicContact CG1-SD 3.5Å; V152-M166 VanDerWaalsContact CG1-SD 3.5Å |
| 153 | M | 84 | Confident | 78.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 175.3 | -72 | -60.2 | 138.8 | 0 | 0 | 113.1 | S133 V136 P138 L141 F144 G149 L150 R155 F156 I173 | S133-M153 CarbonylContact C-O 3.6Å; S133-M153 WeakPolarHBondContact CB-O 3.25Å; S133-M153 WeakPolarHBondContact O-CB 3.44Å; S133-M153 PolarHBondContact OG-O 2.86Å; S133-M153 VanDerWaalsContact OG-O 3.14Å; V136-M153 HydrophobicContact CB-SD 4.4Å; P138-M153 HydrophobicContact CB-CE 4.15Å; P138-M153 HydrophobicContact CG-CE 4.09Å; P138-M153 HydrophobicContact CG-CG 4.28Å; L141-M153 HydrophobicContact CD1-CE 4.47Å; F144-M153 HydrophobicContact CD1-CE 4.43Å; F144-M153 HydrophobicContact CD2-CE 4.18Å; F144-M153 HydrophobicContact CE1-CE 3.66Å; F144-M153 HydrophobicContact CE2-CE 3.38Å; F144-M153 HydrophobicContact CZ-CE 3.07Å; G149-M153 PolarHBondContact O-N 3.25Å; L150-M153 PolarHBondContact O-N 3.29Å; M153-R155 PolarHBondContact O-N 2.9Å; M153-F156 HydrophobicContact CE-CE2 3.67Å; M153-F156 HydrophobicContact CE-CZ 4.13Å; M153-F156 PolarHBondContact O-N 2.83Å; M153-F156 HydrophobicContact SD-CD2 4.08Å; M153-F156 HydrophobicContact SD-CE2 3.82Å; M153-I173 HydrophobicContact SD-CD1 4.33Å |
| 154 | A | 86.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C48 N53 E134 L150 V152 P157 | C48-A154 CarbonylContact C-O 3.42Å; C48-A154 VanDerWaalsContact CA-O 3.26Å; C48-A154 WeakPolarHBondContact CA-O 3.43Å; N53-A154 PolarHBondContact ND2-O 2.04Å; E134-A154 HydrophobicContact CB-CB 4.14Å; L150-A154 PolarHBondContact O-N 3.4Å; V152-A154 VanDerWaalsContact C-N 3.29Å; V152-A154 PolarHBondContact O-N 3.25Å; A154-P157 WeakPolarHBondContact O-CD 3.46Å |
| 155 | R | 87.9 | Confident | 78.1 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15.4 | -178.8 | -65.9 | -178.3 | -168.8 | 169 | 7.5 | 114 | E151 V152 M153 C158 T161 | E151-R155 IonicContact OE1-NH2 3.42Å; E151-R155 PolarHBondContact OE1-NH2 2.64Å; V152-R155 PolarHBondContact O-N 2.88Å; M153-R155 PolarHBondContact O-N 2.9Å; R155-C158 CarbonylContact O-C 3.19Å; R155-C158 PolarHBondContact O-N 3.21Å; R155-T161 PolarHBondContact O-OG1 2.94Å |
| 156 | F | 86.3 | Confident | 78.1 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.5 | -177.9 | -81 | -92.3 | 0 | 0 | 0 | 115.8 | F144 V152 M153 C158 V162 M166 F169 W170 I173 | F144-F156 HydrophobicContact CE2-CZ 4.17Å; V152-F156 HydrophobicContact CG1-CE2 4.05Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 WeakPolarHBondContact O-CE2 3.22Å; M153-F156 HydrophobicContact CE-CE2 3.67Å; M153-F156 HydrophobicContact CE-CZ 4.13Å; M153-F156 PolarHBondContact O-N 2.83Å; M153-F156 HydrophobicContact SD-CD2 4.08Å; M153-F156 HydrophobicContact SD-CE2 3.82Å; F156-C158 PolarHBondContact O-N 3.38Å; F156-C158 VanDerWaalsContact O-N 3.16Å; F156-V162 HydrophobicContact CD1-CG1 4.47Å; F156-V162 HydrophobicContact CD1-CG2 4.41Å; F156-V162 HydrophobicContact CE1-CG1 4.14Å; F156-V162 HydrophobicContact CZ-CG1 4.46Å; F156-M166 HydrophobicContact CZ-CB 4.26Å; F156-F169 HydrophobicContact CE1-CB 4.25Å; F156-W170 HydrophobicContact CD1-CB 4.31Å; F156-W170 PolarHBondContact O-NE1 3.07Å; F156-I173 HydrophobicContact CD1-CD1 3.54Å; F156-I173 HydrophobicContact CD2-CD1 4.34Å; F156-I173 HydrophobicContact CE1-CD1 3.39Å; F156-I173 HydrophobicContact CE2-CD1 4.18Å; F156-I173 HydrophobicContact CG-CD1 4.03Å; F156-I173 HydrophobicContact CZ-CD1 3.71Å |
| 157 | P | 86.8 | Confident | 78.8 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.5 | 174.7 | -23.1 | 34.3 | 0 | 0 | 0 | 113.1 | C46 V129 S133 A154 | C46-P157 HydrophobicContact CB-CB 3.99Å; V129-P157 HydrophobicContact CG1-CB 4.48Å; V129-P157 HydrophobicContact CG1-CG 4.45Å; S133-P157 VanDerWaalsContact OG-CD 3.31Å; S133-P157 WeakPolarHBondContact OG-CD 3.21Å; S133-P157 WeakPolarHBondContact OG-CG 3.37Å; A154-P157 WeakPolarHBondContact O-CD 3.46Å |
| 158 | C | 88.5 | Confident | 79.4 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -104.7 | 91 | 179 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | C46 C48 R155 F156 S160 T161 | C46-C158 PolarHBondContact O-SG 2.86Å; C46-C158 VanDerWaalsContact O-SG 3.35Å; C48-C158 HydrophobicContact CB-CB 3.7Å; C48-C158 WeakPolarHBondContact CB-SG 3.12Å; C48-C158 WeakPolarHBondContact SG-CB 3.22Å; C48-C158 PolarHBondContact SG-N 3.45Å; C48-C158 CovalentContact SG-SG 2.01Å; C48-C158 PolarHBondContact SG-SG 2.99Å; R155-C158 CarbonylContact O-C 3.19Å; R155-C158 PolarHBondContact O-N 3.21Å; F156-C158 PolarHBondContact O-N 3.38Å; F156-C158 VanDerWaalsContact O-N 3.16Å; C158-S160 PolarHBondContact O-N 3.23Å; C158-T161 HydrophobicContact CB-CG2 4.06Å; C158-T161 VanDerWaalsContact CB-OG1 3.29Å; C158-T161 WeakPolarHBondContact CB-OG1 3.28Å; C158-T161 PolarHBondContact O-N 2.96Å; C158-T161 PolarHBondContact O-OG1 3.46Å |
| 159 | K | 78.8 | Confident | 80.3 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -47.3 | -34.5 | -177.6 | -174.9 | 176.4 | -179.7 | 176.6 | 0 | 114.7 | T161 W170 | K159-T161 VanDerWaalsContact C-N 3.32Å; K159-T161 PolarHBondContact O-N 2.85Å; K159-W170 HydrophobicContact CB-CZ2 4.13Å; K159-W170 HydrophobicContact CD-CH2 4.16Å; K159-W170 HydrophobicContact CD-CZ2 4.17Å; K159-W170 HydrophobicContact CD-CZ3 4.41Å; K159-W170 HydrophobicContact CG-CD2 4.48Å; K159-W170 HydrophobicContact CG-CZ2 4.38Å |
| 160 | S | 76.4 | Confident | 81.1 | Confident | 117 Ų | 117 | 64.6 Ų | 64.6 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -74.4 | -16.9 | -179.5 | 51 | 0 | 0 | 0 | 0 | 114.6 | C158 | C158-S160 PolarHBondContact O-N 3.23Š|
| 161 | T | 77.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -103.9 | -4.9 | -175.2 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | R155 C158 K159 | R155-T161 PolarHBondContact O-OG1 2.94Å; C158-T161 HydrophobicContact CB-CG2 4.06Å; C158-T161 VanDerWaalsContact CB-OG1 3.29Å; C158-T161 WeakPolarHBondContact CB-OG1 3.28Å; C158-T161 PolarHBondContact O-N 2.96Å; C158-T161 PolarHBondContact O-OG1 3.46Å; K159-T161 VanDerWaalsContact C-N 3.32Å; K159-T161 PolarHBondContact O-N 2.85Å |
| 162 | V | 79.7 | Confident | 82.4 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -76.7 | 131.6 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | F156 M166 | F156-V162 HydrophobicContact CD1-CG1 4.47Å; F156-V162 HydrophobicContact CD1-CG2 4.41Å; F156-V162 HydrophobicContact CE1-CG1 4.14Å; F156-V162 HydrophobicContact CZ-CG1 4.46Å; V162-M166 HydrophobicContact CG1-CB 3.96Å |
| 163 | P | 80.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | trans | -55.3 | 142.4 | 173.5 | -24.6 | 34.1 | 0 | 0 | 0 | 112.1 | E165 M166 Q167 | P163-E165 PolarHBondContact O-N 3.37Å; P163-M166 HydrophobicContact CB-SD 4.45Å; P163-M166 HydrophobicContact CG-SD 4.23Å; P163-M166 PolarHBondContact O-N 2.81Å; P163-Q167 PolarHBondContact O-N 2.66Å | ||
| 164 | Q | 77.8 | Confident | 82.9 | Confident | 172 Ų | 172 | 62 Ų | 62 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -56 | -36.7 | -177.5 | -76.2 | -171.6 | -15.6 | 0 | 0 | 113 | M166 Q167 | Q164-M166 PolarHBondContact O-N 3.2Å; Q164-Q167 WeakPolarHBondContact O-CB 3.21Å; Q164-Q167 PolarHBondContact O-N 3Å |
| 165 | E | 75.3 | Confident | 83.2 | Confident | 166 Ų | 166 | 70.5 Ų | 70.5 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -61.7 | -23.1 | 177.5 | -62.5 | 175.6 | -176.9 | 0 | 0 | 113.2 | P163 | P163-E165 PolarHBondContact O-N 3.37Š|
| 166 | M | 76 | Confident | 83.5 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -109.7 | -1.7 | -175.8 | -68.6 | 166.9 | -163.6 | 0 | 0 | 113.7 | F144 P145 Q148 V152 F156 V162 P163 Q164 G168 F169 | F144-M166 HydrophobicContact CE2-CG 4.34Å; F144-M166 HydrophobicContact CE2-SD 4.33Å; F144-M166 HydrophobicContact CZ-SD 4.25Å; P145-M166 HydrophobicContact CG-CE 3.53Å; Q148-M166 HydrophobicContact CG-CE 4.26Å; V152-M166 HydrophobicContact CG1-SD 3.5Å; V152-M166 VanDerWaalsContact CG1-SD 3.5Å; F156-M166 HydrophobicContact CZ-CB 4.26Å; V162-M166 HydrophobicContact CG1-CB 3.96Å; P163-M166 HydrophobicContact CB-SD 4.45Å; P163-M166 HydrophobicContact CG-SD 4.23Å; P163-M166 PolarHBondContact O-N 2.81Å; Q164-M166 PolarHBondContact O-N 3.2Å; M166-G168 PolarHBondContact O-N 3.01Å; M166-G168 VanDerWaalsContact O-N 3.17Å; M166-F169 PolarHBondContact O-N 3.47Å |
| 167 | Q | 80.3 | Confident | 83.8 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -25.3 | -177.6 | -161.3 | 165.6 | 30.6 | 0 | 0 | 112.2 | P163 Q164 F169 W170 | P163-Q167 PolarHBondContact O-N 2.66Å; Q164-Q167 WeakPolarHBondContact O-CB 3.21Å; Q164-Q167 PolarHBondContact O-N 3Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.34Å; Q167-W170 WeakPolarHBondContact O-CB 3.49Å; Q167-W170 PolarHBondContact O-N 3.47Å |
| 168 | G | 80.9 | Confident | 84.1 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.5 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M166 W170 | M166-G168 PolarHBondContact O-N 3.01Å; M166-G168 VanDerWaalsContact O-N 3.17Å; G168-W170 VanDerWaalsContact C-N 3.35Å |
| 169 | F | 84.7 | Confident | 84.5 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80.6 | -17.4 | -179.9 | -61.7 | -75 | 0 | 0 | 0 | 113.2 | L141 E142 F144 F156 M166 Q167 A171 E172 I173 | L141-F169 HydrophobicContact CB-CD1 4.41Å; E142-F169 WeakPolarHBondContact O-CE1 3.37Å; F144-F169 AromaticContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CD2 4Å; F144-F169 HydrophobicContact CD2-CE2 4.2Å; F144-F169 HydrophobicContact CD2-CG 4.18Å; F144-F169 HydrophobicContact CE2-CD2 4.45Å; F156-F169 HydrophobicContact CE1-CB 4.25Å; M166-F169 PolarHBondContact O-N 3.47Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.34Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.15Å; F169-E172 PolarHBondContact O-N 3.01Å; F169-E172 VanDerWaalsContact O-N 3.13Å; F169-I173 HydrophobicContact CB-CD1 4.17Å; F169-I173 WeakPolarHBondContact O-CG1 3.45Å; F169-I173 PolarHBondContact O-N 3.23Å |
| 170 | W | 85.1 | Confident | 85.3 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.1 | -47.7 | -175.9 | 177.8 | 83.2 | 0 | 0 | 0 | 112.5 | F156 K159 Q167 G168 E172 I173 E174 | F156-W170 HydrophobicContact CD1-CB 4.31Å; F156-W170 PolarHBondContact O-NE1 3.07Å; K159-W170 HydrophobicContact CB-CZ2 4.13Å; K159-W170 HydrophobicContact CD-CH2 4.16Å; K159-W170 HydrophobicContact CD-CZ2 4.17Å; K159-W170 HydrophobicContact CD-CZ3 4.41Å; K159-W170 HydrophobicContact CG-CD2 4.48Å; K159-W170 HydrophobicContact CG-CZ2 4.38Å; Q167-W170 WeakPolarHBondContact O-CB 3.49Å; Q167-W170 PolarHBondContact O-N 3.47Å; G168-W170 VanDerWaalsContact C-N 3.35Å; W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.84Å; W170-I173 PolarHBondContact O-N 3.43Å; W170-E174 WeakPolarHBondContact CH2-OE2 3.27Å; W170-E174 VanDerWaalsContact CZ2-OE2 3.26Å; W170-E174 WeakPolarHBondContact CZ2-OE2 3.37Å; W170-E174 VanDerWaalsContact CZ3-OE2 3.24Å; W170-E174 WeakPolarHBondContact CZ3-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.25Å; W170-E174 WeakPolarHBondContact O-CB 3.46Å; W170-E174 PolarHBondContact O-N 2.94Å |
| 171 | A | 86.5 | Confident | 86.2 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F169 R175 | F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.15Å; A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 PolarHBondContact O-N 3.35Å; A171-R175 VanDerWaalsContact O-N 3.1Å |
| 172 | E | 88.8 | Confident | 87.1 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.5 | -49.1 | 178 | -178.1 | 169.5 | -163.9 | 0 | 0 | 111.8 | L141 F169 W170 R175 R176 | L141-E172 HydrophobicContact CD2-CG 4.26Å; F169-E172 PolarHBondContact O-N 3.01Å; F169-E172 VanDerWaalsContact O-N 3.13Å; W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 2.99Å; E172-R176 WeakPolarHBondContact O-CB 3.1Å; E172-R176 PolarHBondContact O-N 3.37Å |
| 173 | I | 88.6 | Confident | 88 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 178.9 | -66.8 | 163.2 | 0 | 0 | 0 | 110.7 | V136 L141 M153 F156 F169 W170 R175 R176 L177 | V136-I173 HydrophobicContact CG2-CG2 4.32Å; L141-I173 HydrophobicContact CD1-CD1 3.67Å; L141-I173 HydrophobicContact CD1-CG1 3.83Å; L141-I173 HydrophobicContact CD2-CG1 4.08Å; M153-I173 HydrophobicContact SD-CD1 4.33Å; F156-I173 HydrophobicContact CD1-CD1 3.54Å; F156-I173 HydrophobicContact CD2-CD1 4.34Å; F156-I173 HydrophobicContact CE1-CD1 3.39Å; F156-I173 HydrophobicContact CE2-CD1 4.18Å; F156-I173 HydrophobicContact CG-CD1 4.03Å; F156-I173 HydrophobicContact CZ-CD1 3.71Å; F169-I173 HydrophobicContact CB-CD1 4.17Å; F169-I173 WeakPolarHBondContact O-CG1 3.45Å; F169-I173 PolarHBondContact O-N 3.23Å; W170-I173 PolarHBondContact O-N 3.43Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 3.01Å; I173-R176 PolarHBondContact O-N 3.45Å; I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.45Å |
| 174 | E | 89.6 | Confident | 88.7 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 178.4 | -170.7 | -163.4 | -175.2 | 0 | 0 | 110.6 | W170 R176 L177 K178 | W170-E174 WeakPolarHBondContact CH2-OE2 3.27Å; W170-E174 VanDerWaalsContact CZ2-OE2 3.26Å; W170-E174 WeakPolarHBondContact CZ2-OE2 3.37Å; W170-E174 VanDerWaalsContact CZ3-OE2 3.24Å; W170-E174 WeakPolarHBondContact CZ3-OE2 3.2Å; W170-E174 VanDerWaalsContact O-CB 3.25Å; W170-E174 WeakPolarHBondContact O-CB 3.46Å; W170-E174 PolarHBondContact O-N 2.94Å; E174-R176 PolarHBondContact O-N 3.36Å; E174-L177 PolarHBondContact O-N 2.88Å; E174-K178 HydrophobicContact CG-CD 4.13Å; E174-K178 HydrophobicContact CG-CG 4.46Å; E174-K178 VanDerWaalsContact O-CB 3.28Å; E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.85Å; E174-K178 WeakPolarHBondContact OE1-CE 3.5Å; E174-K178 IonicContact OE1-NZ 3.65Å; E174-K178 PolarHBondContact OE1-NZ 2.91Å |
| 175 | R | 91.8 | Very high | 89.6 | Confident | 179 Ų | 179 | 65.1 Ų | 65.1 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 178.2 | -176.6 | 178.2 | 67 | 166 | 0.2 | 111.6 | A171 E172 I173 Y179 | A171-R175 WeakPolarHBondContact O-CB 3.29Å; A171-R175 PolarHBondContact O-N 3.35Å; A171-R175 VanDerWaalsContact O-N 3.1Å; E172-R175 PolarHBondContact O-N 2.99Å; I173-R175 VanDerWaalsContact C-N 3.34Å; I173-R175 PolarHBondContact O-N 3.01Å; R175-Y179 WeakPolarHBondContact O-CB 3.31Å; R175-Y179 PolarHBondContact O-N 3.24Å |
| 176 | R | 93 | Very high | 90.6 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -53.6 | 177.7 | 178.4 | 179.7 | 174.6 | 178.8 | 0.8 | 111.2 | T140 E172 I173 E174 K178 Y179 E180 | T140-R176 PolarHBondContact OG1-NH1 3.32Å; E172-R176 WeakPolarHBondContact O-CB 3.1Å; E172-R176 PolarHBondContact O-N 3.37Å; I173-R176 PolarHBondContact O-N 3.45Å; E174-R176 PolarHBondContact O-N 3.36Å; R176-K178 PolarHBondContact O-N 3.38Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 WeakPolarHBondContact O-CD1 3.37Å; R176-Y179 PolarHBondContact O-N 2.76Å; R176-E180 IonicContact NE-OE1 3.2Å; R176-E180 PolarHBondContact NE-OE1 2.9Å; R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 3.09Å |
| 177 | L | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | -178.3 | -69.8 | 174.2 | 0 | 0 | 0 | 112.4 | Y128 V129 L132 V136 I173 E174 E180 S181 | Y128-L177 WeakPolarHBondContact CD1-O 3.37Å; Y128-L177 HydrophobicContact CE1-CD2 4.4Å; V129-L177 HydrophobicContact CB-CB 4.39Å; V129-L177 HydrophobicContact CG1-CD1 4.25Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; L132-L177 HydrophobicContact CB-CD2 4.02Å; V136-L177 HydrophobicContact CG2-CD1 3.91Å; V136-L177 HydrophobicContact CG2-CD2 3.86Å; V136-L177 HydrophobicContact CG2-CG 4.11Å; I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.45Å; E174-L177 PolarHBondContact O-N 2.88Å; L177-E180 PolarHBondContact O-N 3.48Å; L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.87Å |
| 178 | K | 94 | Very high | 92.3 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 173.1 | -81.2 | -174.8 | 168 | 167.4 | 0 | 111.9 | V129 E174 R176 S181 Q182 | V129-K178 HydrophobicContact CG2-CG 3.68Å; E174-K178 HydrophobicContact CG-CD 4.13Å; E174-K178 HydrophobicContact CG-CG 4.46Å; E174-K178 VanDerWaalsContact O-CB 3.28Å; E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.85Å; E174-K178 WeakPolarHBondContact OE1-CE 3.5Å; E174-K178 IonicContact OE1-NZ 3.65Å; E174-K178 PolarHBondContact OE1-NZ 2.91Å; R176-K178 PolarHBondContact O-N 3.38Å; K178-S181 PolarHBondContact O-N 3.3Å; K178-Q182 WeakPolarHBondContact O-CB 3.24Å; K178-Q182 VanDerWaalsContact O-CG 3.3Å; K178-Q182 WeakPolarHBondContact O-CG 3.43Å; K178-Q182 PolarHBondContact O-N 3.34Å |
| 179 | Y | 95.6 | Very high | 92.9 | Very high | 134 Ų | 134 | 67.6 Ų | 67.6 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 174.6 | 143.4 | -103.2 | 0 | 0 | 0 | 111.3 | R175 R176 S181 Q182 L183 | R175-Y179 WeakPolarHBondContact O-CB 3.31Å; R175-Y179 PolarHBondContact O-N 3.24Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 WeakPolarHBondContact O-CD1 3.37Å; R176-Y179 PolarHBondContact O-N 2.76Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.49Å; Y179-Q182 PolarHBondContact O-N 3.39Å; Y179-L183 HydrophobicContact CE2-CB 4.23Å; Y179-L183 HydrophobicContact CE2-CD2 3.88Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.49Å; Y179-L183 PolarHBondContact O-N 3.4Å |
| 180 | E | 96 | Very high | 93.5 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 179.5 | -72 | 177.2 | -167.9 | 0 | 0 | 111.1 | Y128 R176 L177 L183 L184 | Y128-E180 HydrophobicContact CE1-CB 3.88Å; R176-E180 IonicContact NE-OE1 3.2Å; R176-E180 PolarHBondContact NE-OE1 2.9Å; R176-E180 WeakPolarHBondContact O-CG 3.35Å; R176-E180 PolarHBondContact O-N 3.09Å; L177-E180 PolarHBondContact O-N 3.48Å; E180-L183 PolarHBondContact O-N 2.9Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.42Å |
| 181 | S | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | L122 G125 Y128 L177 K178 Y179 L184 G185 | L122-S181 WeakPolarHBondContact CA-OG 3.45Å; L122-S181 CarbonylContact O-C 3.51Å; L122-S181 WeakPolarHBondContact O-CB 3.48Å; L122-S181 PolarHBondContact O-OG 3.33Å; G125-S181 WeakPolarHBondContact CA-OG 3.43Å; Y128-S181 WeakPolarHBondContact CB-OG 3.39Å; L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.87Å; K178-S181 PolarHBondContact O-N 3.3Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.49Å; S181-L184 PolarHBondContact O-N 3.25Å; S181-G185 PolarHBondContact O-N 2.79Å |
| 182 | Q | 95.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | -179.1 | -74.1 | 179.2 | 0.5 | 0 | 0 | 111.8 | L123 K178 Y179 G185 W186 | L123-Q182 WeakPolarHBondContact O-CG 3.19Å; L123-Q182 PolarHBondContact O-NE2 3.08Å; K178-Q182 WeakPolarHBondContact O-CB 3.24Å; K178-Q182 VanDerWaalsContact O-CG 3.3Å; K178-Q182 WeakPolarHBondContact O-CG 3.43Å; K178-Q182 PolarHBondContact O-N 3.34Å; Y179-Q182 PolarHBondContact O-N 3.39Å; Q182-G185 PolarHBondContact O-N 2.93Å; Q182-W186 PolarHBondContact O-N 3.49Å |
| 183 | L | 97.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.3 | 178.9 | 63.2 | 0 | 0 | 0 | 110.7 | Y179 E180 G185 W186 L187 | Y179-L183 HydrophobicContact CE2-CB 4.23Å; Y179-L183 HydrophobicContact CE2-CD2 3.88Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.49Å; Y179-L183 PolarHBondContact O-N 3.4Å; E180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.31Å; L183-G185 PolarHBondContact O-N 3.37Å; L183-W186 PolarHBondContact O-N 3.49Å; L183-L187 HydrophobicContact CD1-CD1 4.33Å; L183-L187 HydrophobicContact CD1-CG 4.3Å; L183-L187 HydrophobicContact CG-CD1 4.08Å; L183-L187 HydrophobicContact CG-CG 4.47Å; L183-L187 WeakPolarHBondContact O-CB 3.06Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.42Å |
| 184 | L | 97 | Very high | 94.7 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 40% | 0.398 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.5 | -72.7 | 172.5 | 0 | 0 | 0 | 111.9 | Y128 E180 S181 L187 M188 | Y128-L184 HydrophobicContact CD2-CD1 4.5Å; Y128-L184 HydrophobicContact CE2-CD1 3.51Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 3.42Å; S181-L184 PolarHBondContact O-N 3.25Å; L184-L187 PolarHBondContact O-N 3.11Å; L184-M188 WeakPolarHBondContact O-CB 3.02Å; L184-M188 PolarHBondContact O-N 3.41Å |
| 185 | G | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S181 Q182 L183 M188 V189 | S181-G185 PolarHBondContact O-N 2.79Å; Q182-G185 PolarHBondContact O-N 2.93Å; L183-G185 VanDerWaalsContact C-N 3.31Å; L183-G185 PolarHBondContact O-N 3.37Å; G185-M188 WeakPolarHBondContact O-CB 3.2Å; G185-M188 PolarHBondContact O-N 3.33Å; G185-V189 WeakPolarHBondContact O-CG2 3.35Å; G185-V189 PolarHBondContact O-N 2.9Å |
| 186 | W | 97.4 | Very high | 94.5 | Very high | 160 Ų | 160 | 68 Ų | 68 | 61% | 0.606 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.4 | -39.8 | 177.8 | -77.7 | 118.6 | 0 | 0 | 0 | 113.3 | L123 Q182 L183 M188 V189 A190 | L123-W186 HydrophobicContact CD2-CD2 4.27Å; L123-W186 HydrophobicContact CD2-CG 4.23Å; Q182-W186 PolarHBondContact O-N 3.49Å; L183-W186 PolarHBondContact O-N 3.49Å; W186-M188 VanDerWaalsContact C-N 3.3Å; W186-M188 PolarHBondContact O-N 2.97Å; W186-V189 HydrophobicContact CE3-CB 4.46Å; W186-V189 PolarHBondContact O-N 2.86Å; W186-A190 WeakPolarHBondContact O-CB 3.26Å; W186-A190 PolarHBondContact O-N 2.82Å |
| 187 | L | 97.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 70.1 Ų | 70.1 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 173.9 | -71.8 | 174.6 | 0 | 0 | 0 | 111.3 | L183 L184 A190 G191 | L183-L187 HydrophobicContact CD1-CD1 4.33Å; L183-L187 HydrophobicContact CD1-CG 4.3Å; L183-L187 HydrophobicContact CG-CD1 4.08Å; L183-L187 HydrophobicContact CG-CG 4.47Å; L183-L187 WeakPolarHBondContact O-CB 3.06Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.42Å; L184-L187 PolarHBondContact O-N 3.11Å; L187-A190 PolarHBondContact O-N 3.45Å; L187-G191 PolarHBondContact O-N 2.98Å |
| 188 | M | 94.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 74.6 Ų | 74.6 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.6 | -169.1 | -179.2 | -172.4 | 0 | 0 | 111.4 | V115 A118 V119 L122 L184 G185 W186 G191 M192 | V115-M188 HydrophobicContact CB-CE 4.48Å; V115-M188 HydrophobicContact CG1-CE 4.07Å; V115-M188 HydrophobicContact CG2-CE 4.33Å; A118-M188 HydrophobicContact CB-CE 4.12Å; A118-M188 HydrophobicContact CB-SD 4.31Å; V119-M188 HydrophobicContact CG2-CB 4.35Å; V119-M188 HydrophobicContact CG2-CG 4.06Å; V119-M188 HydrophobicContact CG2-SD 3.74Å; L122-M188 HydrophobicContact CD1-SD 4.2Å; L184-M188 WeakPolarHBondContact O-CB 3.02Å; L184-M188 PolarHBondContact O-N 3.41Å; G185-M188 WeakPolarHBondContact O-CB 3.2Å; G185-M188 PolarHBondContact O-N 3.33Å; W186-M188 VanDerWaalsContact C-N 3.3Å; W186-M188 PolarHBondContact O-N 2.97Å; M188-G191 PolarHBondContact O-N 3.47Å; M188-M192 WeakPolarHBondContact O-CB 3.14Å; M188-M192 VanDerWaalsContact O-CG 3.22Å; M188-M192 WeakPolarHBondContact O-CG 3.43Å; M188-M192 PolarHBondContact O-N 3.33Å |
| 189 | V | 93.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 76.4 Ų | 76.4 | 33% | 0.327 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V119 G185 W186 G191 M192 A193 | V119-V189 HydrophobicContact CB-CG2 4.38Å; V119-V189 HydrophobicContact CG1-CG2 3.44Å; V119-V189 VanDerWaalsContact CG1-CG2 3.44Å; V119-V189 HydrophobicContact CG2-CG2 3.96Å; G185-V189 WeakPolarHBondContact O-CG2 3.35Å; G185-V189 PolarHBondContact O-N 2.9Å; W186-V189 HydrophobicContact CE3-CB 4.46Å; W186-V189 PolarHBondContact O-N 2.86Å; V189-G191 PolarHBondContact O-N 2.82Å; V189-M192 PolarHBondContact O-N 3.47Å; V189-A193 PolarHBondContact O-N 3.24Å |
| 190 | A | 96.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 74.9 Ų | 74.9 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W186 L187 M192 A193 V194 | W186-A190 WeakPolarHBondContact O-CB 3.26Å; W186-A190 PolarHBondContact O-N 2.82Å; L187-A190 PolarHBondContact O-N 3.45Å; A190-M192 PolarHBondContact O-N 3.31Å; A190-A193 PolarHBondContact O-N 2.99Å; A190-V194 WeakPolarHBondContact O-CG2 3.47Å; A190-V194 PolarHBondContact O-N 3.47Å |
| 191 | G | 96.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 74.7 Ų | 74.7 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L187 M188 V189 A193 V194 V195 | L187-G191 PolarHBondContact O-N 2.98Å; M188-G191 PolarHBondContact O-N 3.47Å; V189-G191 PolarHBondContact O-N 2.82Å; G191-A193 PolarHBondContact O-N 3.19Å; G191-V194 PolarHBondContact O-N 3.47Å; G191-V195 VanDerWaalsContact O-CG2 3.31Å; G191-V195 WeakPolarHBondContact O-CG2 3.27Å; G191-V195 PolarHBondContact O-N 2.85Å |
| 192 | M | 91 | Very high | 92.1 | Very high | 65 Ų | 65 | 80.1 Ų | 80.1 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 177.1 | -72.4 | -58.5 | -56.8 | 0 | 0 | 112.5 | V115 M188 V189 A190 V194 V195 L196 | V115-M192 HydrophobicContact CG1-CE 4.2Å; V115-M192 HydrophobicContact CG1-CG 3.9Å; V115-M192 HydrophobicContact CG1-SD 4.28Å; V115-M192 HydrophobicContact CG2-CE 4.4Å; M188-M192 WeakPolarHBondContact O-CB 3.14Å; M188-M192 VanDerWaalsContact O-CG 3.22Å; M188-M192 WeakPolarHBondContact O-CG 3.43Å; M188-M192 PolarHBondContact O-N 3.33Å; V189-M192 PolarHBondContact O-N 3.47Å; A190-M192 PolarHBondContact O-N 3.31Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.92Å; M192-V195 PolarHBondContact O-N 3.39Å; M192-L196 WeakPolarHBondContact O-CB 3.29Å; M192-L196 VanDerWaalsContact O-CG 3.27Å; M192-L196 WeakPolarHBondContact O-CG 3.1Å; M192-L196 PolarHBondContact O-N 3.39Å |
| 193 | A | 90.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 81.6 Ų | 81.6 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V189 A190 G191 L196 F197 | V189-A193 PolarHBondContact O-N 3.24Å; A190-A193 PolarHBondContact O-N 2.99Å; G191-A193 PolarHBondContact O-N 3.19Å; A193-L196 PolarHBondContact O-N 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.26Å; A193-F197 PolarHBondContact O-N 3.38Å |
| 194 | V | 95.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 86.6 Ų | 86.6 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A190 G191 M192 L196 F197 L198 | A190-V194 WeakPolarHBondContact O-CG2 3.47Å; A190-V194 PolarHBondContact O-N 3.47Å; G191-V194 PolarHBondContact O-N 3.47Å; M192-V194 VanDerWaalsContact C-N 3.35Å; M192-V194 PolarHBondContact O-N 2.92Å; V194-L196 PolarHBondContact O-N 2.81Å; V194-F197 PolarHBondContact O-N 2.94Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.31Å; V194-L198 WeakPolarHBondContact O-CB 3.33Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.25Å |
| 195 | V | 91 | Very high | 89.2 | Confident | 69 Ų | 69 | 88.1 Ų | 88.1 | 42% | 0.418 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 111 | G191 M192 F197 L198 L199 | G191-V195 VanDerWaalsContact O-CG2 3.31Å; G191-V195 WeakPolarHBondContact O-CG2 3.27Å; G191-V195 PolarHBondContact O-N 2.85Å; M192-V195 PolarHBondContact O-N 3.39Å; V195-F197 PolarHBondContact O-N 3.46Å; V195-L198 PolarHBondContact O-N 2.89Å; V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.24Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 VanDerWaalsContact O-CG 3.24Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.27Å |
| 196 | L | 87.6 | Confident | 88.4 | Confident | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.4 | -73.2 | 173.2 | 0 | 0 | 0 | 111.7 | M192 A193 V194 L199 L200 | M192-L196 WeakPolarHBondContact O-CB 3.29Å; M192-L196 VanDerWaalsContact O-CG 3.27Å; M192-L196 WeakPolarHBondContact O-CG 3.1Å; M192-L196 PolarHBondContact O-N 3.39Å; A193-L196 PolarHBondContact O-N 3.29Å; V194-L196 PolarHBondContact O-N 2.81Å; L196-L199 PolarHBondContact O-N 3.47Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.39Å |
| 197 | F | 89.1 | Confident | 87.1 | Confident | 135 Ų | 135 | 86.2 Ų | 86.2 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -49.7 | 175.7 | 176.6 | -100.8 | 0 | 0 | 0 | 111.5 | A193 V194 V195 L199 L200 C201 | A193-F197 WeakPolarHBondContact O-CB 3.26Å; A193-F197 PolarHBondContact O-N 3.38Å; V194-F197 PolarHBondContact O-N 2.94Å; V195-F197 PolarHBondContact O-N 3.46Å; F197-L199 PolarHBondContact O-N 2.96Å; F197-L200 PolarHBondContact O-N 3.12Å; F197-C201 PolarHBondContact O-N 3.22Å; F197-C201 PolarHBondContact O-SG 3.11Å; F197-C201 VanDerWaalsContact O-SG 3.36Å |
| 198 | L | 91.8 | Very high | 85.9 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 178 | -69.2 | 174.9 | 0 | 0 | 0 | 112 | V194 V195 L200 C201 M202 | V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.31Å; V194-L198 WeakPolarHBondContact O-CB 3.33Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.25Å; V195-L198 PolarHBondContact O-N 2.89Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.46Å; L198-C201 PolarHBondContact O-N 2.87Å; L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.13Å; L198-M202 PolarHBondContact O-N 3.31Å |
| 199 | L | 84.3 | Confident | 85 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 176.7 | -73.2 | 174.4 | 0 | 0 | 0 | 112 | V195 L196 F197 K203 | V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.24Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 VanDerWaalsContact O-CG 3.24Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.27Å; L196-L199 PolarHBondContact O-N 3.47Å; F197-L199 PolarHBondContact O-N 2.96Å; L199-K203 WeakPolarHBondContact O-CB 3.35Å; L199-K203 PolarHBondContact O-N 3.17Å |
| 200 | L | 82.7 | Confident | 84.5 | Confident | 101 Ų | 101 | 84 Ų | 84 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.4 | -72.4 | 171.4 | 0 | 0 | 0 | 111.6 | L196 F197 L198 K203 R204 | L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.39Å; F197-L200 PolarHBondContact O-N 3.12Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 PolarHBondContact O-N 3.46Å; L200-K203 PolarHBondContact O-N 3.35Å; L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.28Å; L200-R204 PolarHBondContact O-N 2.96Å |
| 201 | C | 84.7 | Confident | 83.7 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 32% | 0.324 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 173.4 | -71.7 | 0 | 0 | 0 | 0 | 111.1 | F197 L198 K203 R204 C205 | F197-C201 PolarHBondContact O-N 3.22Å; F197-C201 PolarHBondContact O-SG 3.11Å; F197-C201 VanDerWaalsContact O-SG 3.36Å; L198-C201 PolarHBondContact O-N 2.87Å; C201-K203 PolarHBondContact O-N 3.07Å; C201-R204 PolarHBondContact O-N 3.41Å; C201-C205 WeakPolarHBondContact O-CB 3.35Å; C201-C205 PolarHBondContact O-N 3.35Å; C201-C205 PolarHBondContact O-SG 3.48Å |
| 202 | M | 84 | Confident | 83.2 | Confident | 114 Ų | 114 | 95.8 Ų | 95.8 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 178 | -73.1 | -59.5 | -63.8 | 0 | 0 | 111.9 | L198 R204 C205 C206 | L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.13Å; L198-M202 PolarHBondContact O-N 3.31Å; M202-R204 VanDerWaalsContact C-N 3.3Å; M202-R204 PolarHBondContact O-N 2.75Å; M202-C205 PolarHBondContact O-N 2.04Å; M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.18Å; M202-C206 PolarHBondContact O-SG 2.9Å; M202-C206 VanDerWaalsContact O-SG 3.36Å |
| 203 | K | 77 | Confident | 83 | Confident | 115 Ų | 115 | 95.4 Ų | 95.4 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.7 | 177 | -179.9 | 159.1 | 67.4 | 0 | 111.4 | L199 L200 C201 S207 E214 | L199-K203 WeakPolarHBondContact O-CB 3.35Å; L199-K203 PolarHBondContact O-N 3.17Å; L200-K203 PolarHBondContact O-N 3.35Å; C201-K203 PolarHBondContact O-N 3.07Å; K203-S207 VanDerWaalsContact O-CB 3.25Å; K203-S207 WeakPolarHBondContact O-CB 3.22Å; K203-S207 PolarHBondContact O-N 3.1Å; K203-S207 VanDerWaalsContact O-N 3.07Å; K203-E214 WeakPolarHBondContact CE-OE1 3.38Å; K203-E214 IonicContact NZ-OE1 2.67Å; K203-E214 PolarHBondContact NZ-OE1 3.33Å |
| 204 | R | 75.4 | Confident | 82.6 | Confident | 180 Ų | 180 | 95 Ų | 95 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71 | -41.4 | 178.7 | -73.5 | -177.6 | 178.7 | -169.2 | 1.1 | 112.6 | L200 C201 M202 | L200-R204 WeakPolarHBondContact O-CB 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.28Å; L200-R204 PolarHBondContact O-N 2.96Å; C201-R204 PolarHBondContact O-N 3.41Å; M202-R204 VanDerWaalsContact C-N 3.3Å; M202-R204 PolarHBondContact O-N 2.75Å |
| 205 | C | 78.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 93.4 Ų | 93.4 | 73% | 0.73 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.6 | -32.5 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | C201 M202 | C201-C205 WeakPolarHBondContact O-CB 3.35Å; C201-C205 PolarHBondContact O-N 3.35Å; C201-C205 PolarHBondContact O-SG 3.48Å; M202-C205 PolarHBondContact O-N 2.04Å |
| 206 | C | 76.1 | Confident | 82 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -97.1 | -0.9 | -178.8 | -59 | 0 | 0 | 0 | 0 | 113.4 | M202 P208 | M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.18Å; M202-C206 PolarHBondContact O-SG 2.9Å; M202-C206 VanDerWaalsContact O-SG 3.36Å; C206-P208 WeakPolarHBondContact O-CD 3.37Å |
| 207 | S | 72.1 | Confident | 82.1 | Confident | 31 Ų | 31 | 94 Ų | 94 | 22% | 0.217 | 48% | 0.483 | C | S | . | . | trans | -70.1 | 124.2 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | K203 L209 | K203-S207 VanDerWaalsContact O-CB 3.25Å; K203-S207 WeakPolarHBondContact O-CB 3.22Å; K203-S207 PolarHBondContact O-N 3.1Å; K203-S207 VanDerWaalsContact O-N 3.07Å; S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 PolarHBondContact OG-N 3.31Å; S207-L209 VanDerWaalsContact OG-N 3.15Å; S207-L209 PolarHBondContact OG-O 2.95Å | ||
| 208 | P | 72.4 | Confident | 81.9 | Confident | 116 Ų | 116 | 91.6 Ų | 91.6 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -70.3 | -9.5 | 172 | 30.1 | -33.8 | 0 | 0 | 0 | 112.2 | C206 | C206-P208 WeakPolarHBondContact O-CD 3.37Š|
| 209 | L | 75.9 | Confident | 81.9 | Confident | 15 Ų | 15 | 92 Ų | 92 | 8% | 0.079 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -105.3 | 140 | -176.3 | -59 | 169.6 | 0 | 0 | 0 | 111.4 | S207 Q213 W217 Y284 | S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 PolarHBondContact OG-N 3.31Å; S207-L209 VanDerWaalsContact OG-N 3.15Å; S207-L209 PolarHBondContact OG-O 2.95Å; L209-Q213 VanDerWaalsContact CD2-CD 3.47Å; L209-Q213 HydrophobicContact CD2-CG 4.21Å; L209-W217 HydrophobicContact CD1-CE3 3.36Å; L209-W217 HydrophobicContact CD1-CZ3 3.45Å; L209-W217 VanDerWaalsContact CD1-CZ3 3.45Å; L209-Y284 HydrophobicContact CD1-CD2 3.74Å; L209-Y284 HydrophobicContact CD1-CE2 4.18Å; L209-Y284 HydrophobicContact CD1-CG 3.97Å; L209-Y284 HydrophobicContact CD2-CD1 3.81Å; L209-Y284 HydrophobicContact CD2-CD2 3.67Å; L209-Y284 HydrophobicContact CD2-CE1 3.5Å; L209-Y284 HydrophobicContact CD2-CE2 3.33Å; L209-Y284 HydrophobicContact CD2-CG 3.88Å; L209-Y284 HydrophobicContact CG-CD1 4.43Å; L209-Y284 HydrophobicContact CG-CD2 4.25Å; L209-Y284 HydrophobicContact CG-CE2 4.35Å; L209-Y284 HydrophobicContact CG-CG 4.27Å |
| 210 | G | 80.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 89.4 Ų | 89.4 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | trans | -64.2 | 151.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q212 Q213 E214 | G210-Q212 VanDerWaalsContact C-N 3.31Å; G210-Q212 PolarHBondContact O-N 2.9Å; G210-Q213 WeakPolarHBondContact O-CB 3.39Å; G210-Q213 PolarHBondContact O-N 2.8Å; G210-E214 PolarHBondContact O-N 3.3Å | ||
| 211 | Y | 79.9 | Confident | 82.5 | Confident | 169 Ų | 169 | 88.6 Ų | 88.6 | 66% | 0.663 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54.3 | -41.8 | -176.7 | 173.2 | -99.3 | 0 | 0 | 0 | 113.7 | Q213 E214 A215 | Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.9Å; Y211-E214 PolarHBondContact O-N 3.29Å; Y211-A215 WeakPolarHBondContact O-CB 3.31Å; Y211-A215 PolarHBondContact O-N 3.49Å |
| 212 | Q | 86.2 | Confident | 82.8 | Confident | 168 Ų | 168 | 89.7 Ų | 89.7 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 178 | -70.8 | -176.9 | -17.2 | 0 | 0 | 112.2 | G210 A215 Y216 | G210-Q212 VanDerWaalsContact C-N 3.31Å; G210-Q212 PolarHBondContact O-N 2.9Å; Q212-A215 PolarHBondContact O-N 3.43Å; Q212-Y216 WeakPolarHBondContact O-CB 3.49Å; Q212-Y216 PolarHBondContact O-N 2.95Å |
| 213 | Q | 86.4 | Confident | 83.2 | Confident | 56 Ų | 56 | 88 Ų | 88 | 26% | 0.262 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.9 | -37.7 | 178.6 | -168.5 | 179.1 | 5.1 | 0 | 0 | 111.5 | L209 G210 Y211 Y216 W217 Y284 | L209-Q213 VanDerWaalsContact CD2-CD 3.47Å; L209-Q213 HydrophobicContact CD2-CG 4.21Å; G210-Q213 WeakPolarHBondContact O-CB 3.39Å; G210-Q213 PolarHBondContact O-N 2.8Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.9Å; Q213-Y216 PolarHBondContact O-N 3.42Å; Q213-W217 VanDerWaalsContact O-CB 3.26Å; Q213-W217 WeakPolarHBondContact O-CB 3.46Å; Q213-W217 PolarHBondContact O-N 2.94Å; Q213-Y284 PolarHBondContact NE2-OH 2.88Å |
| 214 | E | 83 | Confident | 84 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 24% | 0.238 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.1 | -171.4 | 176.6 | -167.7 | 0 | 0 | 111.5 | K203 G210 Y211 W217 S218 | K203-E214 WeakPolarHBondContact CE-OE1 3.38Å; K203-E214 IonicContact NZ-OE1 2.67Å; K203-E214 PolarHBondContact NZ-OE1 3.33Å; G210-E214 PolarHBondContact O-N 3.3Å; Y211-E214 PolarHBondContact O-N 3.29Å; E214-W217 PolarHBondContact O-N 2.88Å; E214-S218 PolarHBondContact O-N 2.86Å |
| 215 | A | 85.1 | Confident | 84.7 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y211 Q212 W217 S218 Q219 | Y211-A215 WeakPolarHBondContact O-CB 3.31Å; Y211-A215 PolarHBondContact O-N 3.49Å; Q212-A215 PolarHBondContact O-N 3.43Å; A215-W217 VanDerWaalsContact C-N 3.34Å; A215-W217 PolarHBondContact O-N 3.45Å; A215-S218 PolarHBondContact O-N 3.46Å; A215-Q219 PolarHBondContact O-N 2.88Å |
| 216 | Y | 89.6 | Confident | 85.4 | Confident | 129 Ų | 129 | 77.1 Ų | 77.1 | 51% | 0.506 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.3 | 178.6 | -90.4 | 0 | 0 | 0 | 111.5 | Q212 Q213 S218 Q219 F220 Y293 | Q212-Y216 WeakPolarHBondContact O-CB 3.49Å; Q212-Y216 PolarHBondContact O-N 2.95Å; Q213-Y216 PolarHBondContact O-N 3.42Å; Y216-S218 PolarHBondContact O-N 3.35Å; Y216-Q219 PolarHBondContact O-N 3.49Å; Y216-F220 HydrophobicContact CE1-CB 4.33Å; Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 PolarHBondContact O-N 3.3Å; Y216-Y293 AromaticContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE2 4.25Å; Y216-Y293 AromaticContact CD1-CZ 3.66Å; Y216-Y293 HydrophobicContact CE1-CD2 4.28Å; Y216-Y293 HydrophobicContact CE1-CE1 4.1Å; Y216-Y293 AromaticContact CE1-CE2 3.61Å; Y216-Y293 HydrophobicContact CE1-CE2 3.61Å; Y216-Y293 AromaticContact CE1-CZ 3.48Å; Y216-Y293 VanDerWaalsContact CE1-CZ 3.48Å |
| 217 | W | 88.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 78 Ų | 78 | 20% | 0.197 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 179.3 | -176.8 | 16.7 | 0 | 0 | 0 | 111.7 | L209 Q213 E214 A215 Q219 F220 R221 Y284 Y293 | L209-W217 HydrophobicContact CD1-CE3 3.36Å; L209-W217 HydrophobicContact CD1-CZ3 3.45Å; L209-W217 VanDerWaalsContact CD1-CZ3 3.45Å; Q213-W217 VanDerWaalsContact O-CB 3.26Å; Q213-W217 WeakPolarHBondContact O-CB 3.46Å; Q213-W217 PolarHBondContact O-N 2.94Å; E214-W217 PolarHBondContact O-N 2.88Å; A215-W217 VanDerWaalsContact C-N 3.34Å; A215-W217 PolarHBondContact O-N 3.45Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 2.9Å; W217-F220 PolarHBondContact O-N 3.47Å; W217-R221 WeakPolarHBondContact O-CB 3.01Å; W217-R221 WeakPolarHBondContact O-CG 3.05Å; W217-R221 PolarHBondContact O-N 3.48Å; W217-Y284 HydrophobicContact CE3-CD2 4.46Å; W217-Y284 HydrophobicContact CH2-CD2 4.5Å; W217-Y284 HydrophobicContact CZ3-CD2 4.3Å; W217-Y293 HydrophobicContact CB-CD1 3.93Å; W217-Y293 HydrophobicContact CB-CE1 4.21Å; W217-Y293 AromaticContact CD1-CD1 3.52Å; W217-Y293 AromaticContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CE1 4.46Å; W217-Y293 PolarHBondContact NE1-O 3.2Å |
| 218 | S | 85.9 | Confident | 87.3 | Confident | 85 Ų | 85 | 80 Ų | 80 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | E214 A215 Y216 R221 S222 | E214-S218 PolarHBondContact O-N 2.86Å; A215-S218 PolarHBondContact O-N 3.46Å; Y216-S218 PolarHBondContact O-N 3.35Å; S218-R221 PolarHBondContact O-N 3.05Å; S218-S222 PolarHBondContact O-N 3.28Å |
| 219 | Q | 90.3 | Very high | 88.3 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.9 | -171.2 | 64.4 | 38.4 | 0 | 0 | 112.1 | A215 Y216 W217 R221 S222 N223 | A215-Q219 PolarHBondContact O-N 2.88Å; Y216-Q219 PolarHBondContact O-N 3.49Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 2.9Å; Q219-R221 VanDerWaalsContact C-N 3.31Å; Q219-R221 PolarHBondContact O-N 2.96Å; Q219-S222 WeakPolarHBondContact O-CB 3.11Å; Q219-S222 PolarHBondContact O-N 3.27Å; Q219-N223 PolarHBondContact NE2-OD1 3.36Å; Q219-N223 PolarHBondContact O-N 3.39Å |
| 220 | F | 91.9 | Very high | 89 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 22% | 0.219 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 176.4 | 178.9 | -85.3 | 0 | 0 | 0 | 110.8 | Y216 W217 S222 N223 E224 Y293 N297 | Y216-F220 HydrophobicContact CE1-CB 4.33Å; Y216-F220 WeakPolarHBondContact O-CB 3.29Å; Y216-F220 PolarHBondContact O-N 3.3Å; W217-F220 PolarHBondContact O-N 3.47Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 2.93Å; F220-N223 PolarHBondContact O-N 2.89Å; F220-E224 HydrophobicContact CE1-CB 4.27Å; F220-E224 VanDerWaalsContact O-CB 3.25Å; F220-E224 WeakPolarHBondContact O-CB 3.36Å; F220-E224 PolarHBondContact O-N 3.48Å; F220-Y293 VanDerWaalsContact CD1-CB 3.43Å; F220-Y293 HydrophobicContact CD1-CD2 4.48Å; F220-Y293 HydrophobicContact CD1-CG 4.18Å; F220-Y293 HydrophobicContact CD2-CD2 4.45Å; F220-Y293 HydrophobicContact CG-CD2 4.38Å; F220-Y293 HydrophobicContact CG-CG 4.32Å; F220-N297 HydrophobicContact CE1-CB 4.25Å; F220-N297 HydrophobicContact CZ-CB 4.18Å; F220-N297 WeakPolarHBondContact CZ-ND2 2.94Å |
| 221 | R | 89.3 | Confident | 89.5 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 32% | 0.317 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 178.3 | -75.8 | -74.6 | -64.8 | -141.8 | 1.6 | 112.8 | W217 S218 Q219 H225 Y293 | W217-R221 WeakPolarHBondContact O-CB 3.01Å; W217-R221 WeakPolarHBondContact O-CG 3.05Å; W217-R221 PolarHBondContact O-N 3.48Å; S218-R221 PolarHBondContact O-N 3.05Å; Q219-R221 VanDerWaalsContact C-N 3.31Å; Q219-R221 PolarHBondContact O-N 2.96Å; R221-H225 WeakPolarHBondContact O-CB 3.43Å; R221-H225 PolarHBondContact O-N 3.48Å; R221-H225 VanDerWaalsContact O-N 3.11Å; R221-Y293 WeakPolarHBondContact CD-O 3.37Å |
| 222 | S | 89.4 | Confident | 90.1 | Very high | 71 Ų | 71 | 82.2 Ų | 82.2 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -50.5 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | S218 Q219 F220 E224 H225 D226 | S218-S222 PolarHBondContact O-N 3.28Å; Q219-S222 WeakPolarHBondContact O-CB 3.11Å; Q219-S222 PolarHBondContact O-N 3.27Å; F220-S222 VanDerWaalsContact C-N 3.32Å; F220-S222 PolarHBondContact O-N 2.93Å; S222-E224 PolarHBondContact O-N 2.95Å; S222-H225 PolarHBondContact O-N 3.48Å; S222-D226 PolarHBondContact O-N 3.02Å; S222-D226 VanDerWaalsContact O-N 3.07Å |
| 223 | N | 93.5 | Very high | 90.4 | Very high | 77 Ų | 77 | 77.8 Ų | 77.8 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 179.6 | -68.6 | -4.9 | 0 | 0 | 0 | 111.8 | Q219 F220 H225 D226 L227 | Q219-N223 PolarHBondContact NE2-OD1 3.36Å; Q219-N223 PolarHBondContact O-N 3.39Å; F220-N223 PolarHBondContact O-N 2.89Å; N223-H225 VanDerWaalsContact C-N 3.3Å; N223-H225 PolarHBondContact O-N 3.43Å; N223-D226 PolarHBondContact O-N 2.94Å; N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 WeakPolarHBondContact O-CG 3.45Å; N223-L227 PolarHBondContact O-N 3.41Å |
| 224 | E | 93.7 | Very high | 90.5 | Very high | 37 Ų | 37 | 77 Ų | 77 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.3 | -177.6 | -177 | -115.7 | 0 | 0 | 111 | F220 S222 F228 S294 L296 | F220-E224 HydrophobicContact CE1-CB 4.27Å; F220-E224 VanDerWaalsContact O-CB 3.25Å; F220-E224 WeakPolarHBondContact O-CB 3.36Å; F220-E224 PolarHBondContact O-N 3.48Å; S222-E224 PolarHBondContact O-N 2.95Å; E224-F228 WeakPolarHBondContact O-CB 3.18Å; E224-F228 PolarHBondContact O-N 2.84Å; E224-S294 WeakPolarHBondContact OE1-CB 3.5Å; E224-S294 PolarHBondContact OE1-OG 3.25Å; E224-S294 WeakPolarHBondContact OE2-CB 3.4Å; E224-S294 PolarHBondContact OE2-OG 2.68Å; E224-L296 HydrophobicContact CG-CD2 4.11Å |
| 225 | H | 90.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 179.7 | -175.8 | 37.3 | 0 | 0 | 0 | 112.9 | K77 R221 S222 N223 F228 Q229 | K77-H225 PolarHBondContact NZ-CE1 3.39Å; K77-H225 VanDerWaalsContact NZ-CE1 3.28Å; K77-H225 PolarHBondContact NZ-ND1 2.76Å; R221-H225 WeakPolarHBondContact O-CB 3.43Å; R221-H225 PolarHBondContact O-N 3.48Å; R221-H225 VanDerWaalsContact O-N 3.11Å; S222-H225 PolarHBondContact O-N 3.48Å; N223-H225 VanDerWaalsContact C-N 3.3Å; N223-H225 PolarHBondContact O-N 3.43Å; H225-F228 PolarHBondContact O-N 3.46Å; H225-Q229 VanDerWaalsContact CE1-CD 3.44Å; H225-Q229 PolarHBondContact CE1-NE2 2.98Å; H225-Q229 WeakPolarHBondContact O-CG 3.4Å; H225-Q229 PolarHBondContact O-N 3.06Å |
| 226 | D | 92.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 77.1 Ų | 77.1 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 179.7 | -176.3 | 34.3 | 0 | 0 | 0 | 111.2 | S222 N223 F228 Q229 R230 | S222-D226 PolarHBondContact O-N 3.02Å; S222-D226 VanDerWaalsContact O-N 3.07Å; N223-D226 PolarHBondContact O-N 2.94Å; D226-F228 PolarHBondContact O-N 3.44Å; D226-Q229 PolarHBondContact O-N 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 VanDerWaalsContact O-N 3.14Å; D226-R230 IonicContact OD1-CZ 2.67Å; D226-R230 VanDerWaalsContact OD1-CZ 3.25Å; D226-R230 IonicContact OD1-NE 3.77Å; D226-R230 PolarHBondContact OD1-NE 2.01Å; D226-R230 IonicContact OD1-NH2 3.14Å; D226-R230 PolarHBondContact OD1-NH2 2.62Å; D226-R230 IonicContact OD2-CZ 2.76Å; D226-R230 IonicContact OD2-NE 2.88Å; D226-R230 IonicContact OD2-NH1 2.85Å; D226-R230 IonicContact OD2-NH2 3.35Å; D226-R230 PolarHBondContact OD2-NH2 3.29Å |
| 227 | L | 94.6 | Very high | 91.2 | Very high | 107 Ų | 107 | 76.4 Ų | 76.4 | 56% | 0.56 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 173.4 | -72.6 | 170.5 | 0 | 0 | 0 | 111.6 | N223 Q229 R230 T231 | N223-L227 WeakPolarHBondContact O-CB 3.46Å; N223-L227 WeakPolarHBondContact O-CG 3.45Å; N223-L227 PolarHBondContact O-N 3.41Å; L227-Q229 PolarHBondContact O-N 2.85Å; L227-R230 PolarHBondContact O-N 3.16Å; L227-T231 WeakPolarHBondContact O-CB 3.4Å; L227-T231 PolarHBondContact O-N 2.83Å; L227-T231 PolarHBondContact O-OG1 3.42Å; L227-T231 VanDerWaalsContact O-OG1 3.04Å |
| 228 | F | 93.8 | Very high | 91.2 | Very high | 73 Ų | 73 | 74.4 Ų | 74.4 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 179.8 | -170 | -88.7 | 0 | 0 | 0 | 112.1 | E224 H225 D226 A232 W275 I278 L296 | E224-F228 WeakPolarHBondContact O-CB 3.18Å; E224-F228 PolarHBondContact O-N 2.84Å; H225-F228 PolarHBondContact O-N 3.46Å; D226-F228 PolarHBondContact O-N 3.44Å; F228-A232 HydrophobicContact CE1-CB 4.47Å; F228-A232 WeakPolarHBondContact O-CB 3.21Å; F228-A232 PolarHBondContact O-N 3.21Å; F228-W275 HydrophobicContact CE1-CH2 4.33Å; F228-W275 HydrophobicContact CE1-CZ3 4.01Å; F228-W275 AromaticContact CZ-CH2 3.83Å; F228-W275 HydrophobicContact CZ-CH2 3.83Å; F228-W275 AromaticContact CZ-CZ3 3.5Å; F228-W275 HydrophobicContact CZ-CZ3 3.5Å; F228-I278 HydrophobicContact CE2-CD1 3.9Å; F228-I278 HydrophobicContact CZ-CD1 3.91Å; F228-L296 HydrophobicContact CD2-CD2 3.83Å; F228-L296 HydrophobicContact CE2-CD2 4.22Å |
| 229 | Q | 92.7 | Very high | 91.3 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 178.8 | -78.2 | -171.7 | -39.7 | 0 | 0 | 112.3 | H225 D226 L227 A232 D233 | H225-Q229 VanDerWaalsContact CE1-CD 3.44Å; H225-Q229 PolarHBondContact CE1-NE2 2.98Å; H225-Q229 WeakPolarHBondContact O-CG 3.4Å; H225-Q229 PolarHBondContact O-N 3.06Å; D226-Q229 PolarHBondContact O-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.85Å; Q229-A232 PolarHBondContact O-N 2.84Å; Q229-D233 PolarHBondContact O-N 3.45Å |
| 230 | R | 91.9 | Very high | 91.4 | Very high | 152 Ų | 152 | 69.7 Ų | 69.7 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 177.7 | -67.8 | 176.2 | -163.5 | 179.4 | 2.9 | 111.5 | D226 L227 D233 V234 | D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 VanDerWaalsContact O-N 3.14Å; D226-R230 IonicContact OD1-CZ 2.67Å; D226-R230 VanDerWaalsContact OD1-CZ 3.25Å; D226-R230 IonicContact OD1-NE 3.77Å; D226-R230 PolarHBondContact OD1-NE 2.01Å; D226-R230 IonicContact OD1-NH2 3.14Å; D226-R230 PolarHBondContact OD1-NH2 2.62Å; D226-R230 IonicContact OD2-CZ 2.76Å; D226-R230 IonicContact OD2-NE 2.88Å; D226-R230 IonicContact OD2-NH1 2.85Å; D226-R230 IonicContact OD2-NH2 3.35Å; D226-R230 PolarHBondContact OD2-NH2 3.29Å; L227-R230 PolarHBondContact O-N 3.16Å; R230-D233 PolarHBondContact O-N 3.36Å; R230-V234 WeakPolarHBondContact O-CG2 3.42Å; R230-V234 PolarHBondContact O-N 2.88Å |
| 231 | T | 91.9 | Very high | 91.3 | Very high | 93 Ų | 93 | 68.3 Ų | 68.3 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.6 | -37 | 178.3 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | L227 V234 H235 | L227-T231 WeakPolarHBondContact O-CB 3.4Å; L227-T231 PolarHBondContact O-N 2.83Å; L227-T231 PolarHBondContact O-OG1 3.42Å; L227-T231 VanDerWaalsContact O-OG1 3.04Å; T231-V234 PolarHBondContact O-N 3.35Å; T231-H235 WeakPolarHBondContact O-CB 3.38Å; T231-H235 PolarHBondContact O-N 2.96Å |
| 232 | A | 91.4 | Very high | 91.2 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F228 Q229 S236 | F228-A232 HydrophobicContact CE1-CB 4.47Å; F228-A232 WeakPolarHBondContact O-CB 3.21Å; F228-A232 PolarHBondContact O-N 3.21Å; Q229-A232 PolarHBondContact O-N 2.84Å; A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.32Å; A232-S236 PolarHBondContact O-N 3.28Å; A232-S236 PolarHBondContact O-OG 3.37Å |
| 233 | D | 91.7 | Very high | 91.2 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 174.2 | -173 | 58.8 | 0 | 0 | 0 | 110.4 | Q229 R230 H235 S236 R237 | Q229-D233 PolarHBondContact O-N 3.45Å; R230-D233 PolarHBondContact O-N 3.36Å; D233-H235 PolarHBondContact O-N 2.77Å; D233-S236 PolarHBondContact O-N 2.81Å; D233-S236 PolarHBondContact O-OG 2.9Å; D233-R237 WeakPolarHBondContact O-CG 3.13Å; D233-R237 PolarHBondContact O-N 3.41Å; D233-R237 VanDerWaalsContact O-N 3.11Å; D233-R237 IonicContact OD1-NE 2.77Å; D233-R237 IonicContact OD1-NH2 3.65Å; D233-R237 IonicContact OD2-CZ 3.99Å; D233-R237 IonicContact OD2-NE 3.78Å; D233-R237 PolarHBondContact OD2-NE 3.02Å; D233-R237 VanDerWaalsContact OD2-NE 3.14Å; D233-R237 IonicContact OD2-NH2 2.71Å; D233-R237 PolarHBondContact OD2-NH2 3.25Å |
| 234 | V | 90.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 68 Ų | 68 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | R230 T231 S236 R237 I238 | R230-V234 WeakPolarHBondContact O-CG2 3.42Å; R230-V234 PolarHBondContact O-N 2.88Å; T231-V234 PolarHBondContact O-N 3.35Å; V234-S236 PolarHBondContact O-N 3.47Å; V234-R237 PolarHBondContact O-N 3.11Å; V234-I238 HydrophobicContact CG1-CD1 3.96Å; V234-I238 WeakPolarHBondContact O-CG1 3.24Å; V234-I238 PolarHBondContact O-N 3.36Å; V234-I238 VanDerWaalsContact O-N 3.07Å |
| 235 | H | 90.4 | Very high | 91 | Very high | 42 Ų | 42 | 72 Ų | 72 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 179.1 | 178.5 | -105.7 | 0 | 0 | 0 | 112.1 | T231 D233 R237 I238 L239 S268 | T231-H235 WeakPolarHBondContact O-CB 3.38Å; T231-H235 PolarHBondContact O-N 2.96Å; D233-H235 PolarHBondContact O-N 2.77Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 2.73Å; H235-I238 PolarHBondContact O-N 3.41Å; H235-L239 VanDerWaalsContact CE1-CD1 3.4Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.38Å; H235-L239 PolarHBondContact O-N 3.14Å; H235-L239 VanDerWaalsContact O-N 3.17Å; H235-S268 PolarHBondContact NE2-O 2.92Å |
| 236 | S | 91.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 178.6 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | A232 D233 V234 A240 | A232-S236 VanDerWaalsContact O-CB 3.27Å; A232-S236 WeakPolarHBondContact O-CB 3.32Å; A232-S236 PolarHBondContact O-N 3.28Å; A232-S236 PolarHBondContact O-OG 3.37Å; D233-S236 PolarHBondContact O-N 2.81Å; D233-S236 PolarHBondContact O-OG 2.9Å; V234-S236 PolarHBondContact O-N 3.47Å; S236-A240 WeakPolarHBondContact O-CB 3.24Å; S236-A240 PolarHBondContact O-N 3.45Å |
| 237 | R | 89.8 | Confident | 91 | Very high | 115 Ų | 115 | 79.4 Ų | 79.4 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 175.5 | -70.5 | 178.9 | -167.6 | -150.5 | 10.9 | 111.4 | D233 V234 H235 L239 A240 V241 | D233-R237 WeakPolarHBondContact O-CG 3.13Å; D233-R237 PolarHBondContact O-N 3.41Å; D233-R237 VanDerWaalsContact O-N 3.11Å; D233-R237 IonicContact OD1-NE 2.77Å; D233-R237 IonicContact OD1-NH2 3.65Å; D233-R237 IonicContact OD2-CZ 3.99Å; D233-R237 IonicContact OD2-NE 3.78Å; D233-R237 PolarHBondContact OD2-NE 3.02Å; D233-R237 VanDerWaalsContact OD2-NE 3.14Å; D233-R237 IonicContact OD2-NH2 2.71Å; D233-R237 PolarHBondContact OD2-NH2 3.25Å; V234-R237 PolarHBondContact O-N 3.11Å; H235-R237 VanDerWaalsContact C-N 3.33Å; H235-R237 PolarHBondContact O-N 2.73Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.37Å; R237-A240 PolarHBondContact O-N 2.95Å; R237-A240 VanDerWaalsContact O-N 3.16Å; R237-V241 VanDerWaalsContact O-CG2 3.28Å; R237-V241 WeakPolarHBondContact O-CG2 3.23Å; R237-V241 PolarHBondContact O-N 3.46Å |
| 238 | I | 87.8 | Confident | 91 | Very high | 9 Ų | 9 | 80.5 Ų | 80.5 | 5% | 0.046 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.2 | -49.7 | 177.9 | -69.3 | 162.7 | 0 | 0 | 0 | 110.7 | V234 H235 A240 V241 E242 L261 H264 A267 | V234-I238 HydrophobicContact CG1-CD1 3.96Å; V234-I238 WeakPolarHBondContact O-CG1 3.24Å; V234-I238 PolarHBondContact O-N 3.36Å; V234-I238 VanDerWaalsContact O-N 3.07Å; H235-I238 PolarHBondContact O-N 3.41Å; I238-A240 PolarHBondContact O-N 2.97Å; I238-V241 WeakPolarHBondContact O-CB 3.42Å; I238-V241 PolarHBondContact O-N 3.48Å; I238-E242 PolarHBondContact O-N 3.48Å; I238-L261 HydrophobicContact CB-CD1 4.34Å; I238-L261 HydrophobicContact CG1-CD1 4.23Å; I238-L261 HydrophobicContact CG2-CD1 3.82Å; I238-H264 HydrophobicContact CD1-CB 3.62Å; I238-A267 HydrophobicContact CG2-CB 3.89Å |
| 239 | L | 89.7 | Confident | 90.7 | Very high | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 179.1 | -67 | -178.4 | 0 | 0 | 0 | 112.9 | H235 R237 S243 P269 | H235-L239 VanDerWaalsContact CE1-CD1 3.4Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.38Å; H235-L239 PolarHBondContact O-N 3.14Å; H235-L239 VanDerWaalsContact O-N 3.17Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 3.37Å; L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.21Å; L239-S243 PolarHBondContact O-OG 3.43Å; L239-P269 HydrophobicContact CD1-CB 4.49Å |
| 240 | A | 90.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 81.7 Ų | 81.7 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S236 R237 I238 S243 V244 | S236-A240 WeakPolarHBondContact O-CB 3.24Å; S236-A240 PolarHBondContact O-N 3.45Å; R237-A240 PolarHBondContact O-N 2.95Å; R237-A240 VanDerWaalsContact O-N 3.16Å; I238-A240 PolarHBondContact O-N 2.97Å; A240-S243 PolarHBondContact O-N 2.9Å; A240-V244 WeakPolarHBondContact O-CB 3.4Å; A240-V244 VanDerWaalsContact O-CG2 3.23Å; A240-V244 WeakPolarHBondContact O-CG2 3.47Å; A240-V244 PolarHBondContact O-N 2.85Å |
| 241 | V | 90.1 | Very high | 90.2 | Very high | 22 Ų | 22 | 76.2 Ų | 76.2 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 176 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | R237 I238 S243 V244 K245 V251 L253 L261 | R237-V241 VanDerWaalsContact O-CG2 3.28Å; R237-V241 WeakPolarHBondContact O-CG2 3.23Å; R237-V241 PolarHBondContact O-N 3.46Å; I238-V241 WeakPolarHBondContact O-CB 3.42Å; I238-V241 PolarHBondContact O-N 3.48Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 2.9Å; V241-V244 PolarHBondContact O-N 3.34Å; V241-K245 VanDerWaalsContact O-CB 3.23Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.4Å; V241-V251 HydrophobicContact CG1-CB 4.43Å; V241-V251 HydrophobicContact CG1-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG2 4.24Å; V241-V251 WeakPolarHBondContact O-CG2 3.46Å; V241-L253 HydrophobicContact CG1-CD1 3.82Å; V241-L253 HydrophobicContact CG1-CD2 4.3Å; V241-L253 HydrophobicContact CG2-CD2 3.61Å; V241-L261 HydrophobicContact CG1-CD1 4.24Å; V241-L261 HydrophobicContact CG1-CD2 4.03Å |
| 242 | E | 86.9 | Confident | 90 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.5 | -71 | -178.5 | 173.2 | 0 | 0 | 112.2 | I238 K245 S246 | I238-E242 PolarHBondContact O-N 3.48Å; E242-K245 PolarHBondContact O-N 3.07Å; E242-S246 WeakPolarHBondContact O-CB 3.44Å; E242-S246 PolarHBondContact O-N 3.01Å |
| 243 | S | 89.8 | Confident | 89.7 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 178.8 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L239 A240 V241 S246 Y247 | L239-S243 WeakPolarHBondContact O-CB 3.18Å; L239-S243 PolarHBondContact O-N 3.21Å; L239-S243 PolarHBondContact O-OG 3.43Å; A240-S243 PolarHBondContact O-N 2.9Å; V241-S243 VanDerWaalsContact C-N 3.3Å; V241-S243 PolarHBondContact O-N 2.9Å; S243-S246 PolarHBondContact O-N 3.41Å; S243-Y247 PolarHBondContact O-N 2.86Å; S243-Y247 VanDerWaalsContact O-N 3.1Å |
| 244 | V | 92.8 | Very high | 89.2 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.37 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | A240 V241 S246 Y247 F248 V251 | A240-V244 WeakPolarHBondContact O-CB 3.4Å; A240-V244 VanDerWaalsContact O-CG2 3.23Å; A240-V244 WeakPolarHBondContact O-CG2 3.47Å; A240-V244 PolarHBondContact O-N 2.85Å; V241-V244 PolarHBondContact O-N 3.34Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.17Å; V244-Y247 PolarHBondContact O-N 2.61Å; V244-F248 HydrophobicContact CG1-CD2 3.65Å; V244-F248 HydrophobicContact CG1-CE2 4.14Å; V244-F248 PolarHBondContact O-N 3.25Å; V244-V251 HydrophobicContact CB-CG2 4.05Å; V244-V251 HydrophobicContact CG1-CG1 4.47Å; V244-V251 HydrophobicContact CG1-CG2 3.92Å |
| 245 | K | 90.6 | Very high | 88.6 | Confident | 121 Ų | 121 | 86.6 Ų | 86.6 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.6 | -167.7 | 178 | 176.1 | -177.5 | 0 | 111.3 | V241 E242 Y247 G249 V251 | V241-K245 VanDerWaalsContact O-CB 3.23Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.4Å; E242-K245 PolarHBondContact O-N 3.07Å; K245-Y247 VanDerWaalsContact C-N 3.3Å; K245-Y247 PolarHBondContact O-N 3.28Å; K245-G249 CarbonylContact O-C 3.51Å; K245-G249 WeakPolarHBondContact O-CA 3.15Å; K245-G249 PolarHBondContact O-N 3.47Å; K245-V251 VanDerWaalsContact CA-CG2 3.46Å; K245-V251 HydrophobicContact CB-CG2 3.51Å; K245-V251 HydrophobicContact CG-CG2 4.24Å; K245-V251 VanDerWaalsContact N-CG2 3.27Å |
| 246 | S | 89.4 | Confident | 87.7 | Confident | 108 Ų | 108 | 91.6 Ų | 91.6 | 76% | 0.755 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.5 | -30.7 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | E242 S243 V244 | E242-S246 WeakPolarHBondContact O-CB 3.44Å; E242-S246 PolarHBondContact O-N 3.01Å; S243-S246 PolarHBondContact O-N 3.41Å; V244-S246 VanDerWaalsContact C-N 3.32Å; V244-S246 PolarHBondContact O-N 3.17Å |
| 247 | Y | 93.8 | Very high | 86.9 | Confident | 186 Ų | 186 | 91.5 Ų | 91.5 | 73% | 0.729 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82 | -47.5 | 179.2 | -176.3 | -97.5 | 0 | 0 | 0 | 112.8 | S243 V244 K245 | S243-Y247 PolarHBondContact O-N 2.86Å; S243-Y247 VanDerWaalsContact O-N 3.1Å; V244-Y247 PolarHBondContact O-N 2.61Å; K245-Y247 VanDerWaalsContact C-N 3.3Å; K245-Y247 PolarHBondContact O-N 3.28Å |
| 248 | F | 94.2 | Very high | 86.2 | Confident | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -94 | -12.8 | -175.5 | -69.3 | -73 | 0 | 0 | 0 | 114.3 | V244 F250 | V244-F248 HydrophobicContact CG1-CD2 3.65Å; V244-F248 HydrophobicContact CG1-CE2 4.14Å; V244-F248 PolarHBondContact O-N 3.25Å; F248-F250 WeakPolarHBondContact O-CD1 3.43Å; F248-F250 PolarHBondContact O-N 3Å |
| 249 | G | 88.3 | Confident | 85.6 | Confident | 62 Ų | 62 | 96 Ų | 96 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 82.3 | -10.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K245 | K245-G249 CarbonylContact O-C 3.51Å; K245-G249 WeakPolarHBondContact O-CA 3.15Å; K245-G249 PolarHBondContact O-N 3.47Å |
| 250 | F | 86.1 | Confident | 84.6 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | trans | -154.3 | 164.9 | 176.3 | 67.8 | -83.1 | 0 | 0 | 0 | 110.8 | F248 | F248-F250 WeakPolarHBondContact O-CD1 3.43Å; F248-F250 PolarHBondContact O-N 3Å | ||
| 251 | V | 87.8 | Confident | 83.8 | Confident | 38 Ų | 38 | 97.1 Ų | 97.1 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | trans | -136 | 133.6 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | V241 V244 K245 L253 | V241-V251 HydrophobicContact CG1-CB 4.43Å; V241-V251 HydrophobicContact CG1-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG2 4.24Å; V241-V251 WeakPolarHBondContact O-CG2 3.46Å; V244-V251 HydrophobicContact CB-CG2 4.05Å; V244-V251 HydrophobicContact CG1-CG1 4.47Å; V244-V251 HydrophobicContact CG1-CG2 3.92Å; K245-V251 VanDerWaalsContact CA-CG2 3.46Å; K245-V251 HydrophobicContact CB-CG2 3.51Å; K245-V251 HydrophobicContact CG-CG2 4.24Å; K245-V251 VanDerWaalsContact N-CG2 3.27Å; V251-L253 HydrophobicContact CB-CG 4.24Å; V251-L253 HydrophobicContact CG1-CD1 4.45Å; V251-L253 HydrophobicContact CG1-CD2 3.8Å; V251-L253 HydrophobicContact CG1-CG 3.78Å; V251-L253 PolarHBondContact O-N 3Å | ||
| 252 | A | 86.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 78% | 0.777 | 52% | 0.524 | S | S | * | . | trans | -80.4 | 108.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 253 | L | 85.8 | Confident | 82.5 | Confident | 35 Ų | 35 | 104.3 Ų | 104.3 | 18% | 0.183 | 53% | 0.533 | C | S | . | . | trans | -120.4 | 144.8 | -179.6 | -67.5 | 169.9 | 0 | 0 | 0 | 111 | V241 V251 E257 K258 L261 | V241-L253 HydrophobicContact CG1-CD1 3.82Å; V241-L253 HydrophobicContact CG1-CD2 4.3Å; V241-L253 HydrophobicContact CG2-CD2 3.61Å; V251-L253 HydrophobicContact CB-CG 4.24Å; V251-L253 HydrophobicContact CG1-CD1 4.45Å; V251-L253 HydrophobicContact CG1-CD2 3.8Å; V251-L253 HydrophobicContact CG1-CG 3.78Å; V251-L253 PolarHBondContact O-N 3Å; L253-E257 HydrophobicContact CB-CB 4.35Å; L253-E257 HydrophobicContact CD2-CB 4.08Å; L253-E257 WeakPolarHBondContact CD2-OE2 3.3Å; L253-K258 HydrophobicContact CB-CG 3.8Å; L253-K258 HydrophobicContact CD1-CG 4.15Å; L253-L261 HydrophobicContact CD1-CD2 4.24Å | ||
| 254 | E | 81.6 | Confident | 81.9 | Confident | 140 Ų | 140 | 105.1 Ų | 105.1 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | trans | -71 | 162.1 | 168.1 | -63.9 | -173.9 | 176.6 | 0 | 0 | 111 | E256 E257 K258 | E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.4Å; E254-E257 HydrophobicContact CB-CG 4.41Å; E254-E257 PolarHBondContact N-OE2 2.73Å; E254-E257 VanDerWaalsContact N-OE2 3.16Å; E254-E257 PolarHBondContact O-N 2.89Å; E254-K258 PolarHBondContact O-N 3.29Å; E254-K258 VanDerWaalsContact O-N 3.17Å | ||
| 255 | K | 77.2 | Confident | 80.5 | Confident | 190 Ų | 190 | 108.7 Ų | 108.7 | 83% | 0.826 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -37.2 | -175.5 | -70.8 | -175.7 | -179.5 | 179.4 | 0 | 112.6 | K258 Q259 | K255-K258 PolarHBondContact O-N 3.34Å; K255-Q259 PolarHBondContact O-N 3.42Å |
| 256 | E | 72.1 | Confident | 79.4 | Confident | 147 Ų | 147 | 110.5 Ų | 110.5 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 179.7 | -63.3 | 179.2 | -176.7 | 0 | 0 | 111.6 | E254 K258 Q259 Q260 | E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.4Å; E256-K258 PolarHBondContact O-N 3.44Å; E256-Q259 PolarHBondContact O-N 2.97Å; E256-Q260 PolarHBondContact O-N 3.38Å; E256-Q260 VanDerWaalsContact O-N 3.1Å |
| 257 | E | 74.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 28% | 0.276 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 178.5 | -60.6 | -178.7 | 133.7 | 0 | 0 | 112.1 | L253 E254 Q259 Q260 L261 | L253-E257 HydrophobicContact CB-CB 4.35Å; L253-E257 HydrophobicContact CD2-CB 4.08Å; L253-E257 WeakPolarHBondContact CD2-OE2 3.3Å; E254-E257 HydrophobicContact CB-CG 4.41Å; E254-E257 PolarHBondContact N-OE2 2.73Å; E254-E257 VanDerWaalsContact N-OE2 3.16Å; E254-E257 PolarHBondContact O-N 2.89Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; E257-Q260 PolarHBondContact O-N 3.5Å; E257-L261 WeakPolarHBondContact O-CB 3.32Å; E257-L261 PolarHBondContact O-N 2.94Å |
| 258 | K | 74.3 | Confident | 78.1 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.1 | -71.1 | -177.8 | -178.1 | -177.9 | 0 | 111.9 | L253 E254 K255 E256 L261 E262 | L253-K258 HydrophobicContact CB-CG 3.8Å; L253-K258 HydrophobicContact CD1-CG 4.15Å; E254-K258 PolarHBondContact O-N 3.29Å; E254-K258 VanDerWaalsContact O-N 3.17Å; K255-K258 PolarHBondContact O-N 3.34Å; E256-K258 PolarHBondContact O-N 3.44Å; K258-L261 PolarHBondContact O-N 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.35Å; K258-E262 PolarHBondContact O-N 2.96Å |
| 259 | Q | 74.8 | Confident | 77.7 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.2 | -171.3 | 176.3 | -13.4 | 0 | 0 | 111.5 | K255 E256 E257 L261 E262 E263 | K255-Q259 PolarHBondContact O-N 3.42Å; E256-Q259 PolarHBondContact O-N 2.97Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 3.43Å; Q259-E262 PolarHBondContact O-N 3.33Å; Q259-E263 PolarHBondContact NE2-OE1 2.88Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.09Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 3.4Å |
| 260 | Q | 70.3 | Confident | 77.7 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 175.4 | -71.9 | -178.9 | -14.1 | 0 | 0 | 112.6 | E256 E257 H264 | E256-Q260 PolarHBondContact O-N 3.38Å; E256-Q260 VanDerWaalsContact O-N 3.1Å; E257-Q260 PolarHBondContact O-N 3.5Å; Q260-H264 WeakPolarHBondContact O-CB 3.06Å; Q260-H264 PolarHBondContact O-N 2.9Å; Q260-H264 PolarHBondContact O-ND1 3.27Å |
| 261 | L | 72.4 | Confident | 77.7 | Confident | 40 Ų | 40 | 97 Ų | 97 | 21% | 0.209 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.9 | -168.5 | 72.6 | 0 | 0 | 0 | 111.8 | I238 V241 L253 E257 K258 Q259 H264 Q265 | I238-L261 HydrophobicContact CB-CD1 4.34Å; I238-L261 HydrophobicContact CG1-CD1 4.23Å; I238-L261 HydrophobicContact CG2-CD1 3.82Å; V241-L261 HydrophobicContact CG1-CD1 4.24Å; V241-L261 HydrophobicContact CG1-CD2 4.03Å; L253-L261 HydrophobicContact CD1-CD2 4.24Å; E257-L261 WeakPolarHBondContact O-CB 3.32Å; E257-L261 PolarHBondContact O-N 2.94Å; K258-L261 PolarHBondContact O-N 3.42Å; Q259-L261 VanDerWaalsContact C-N 3.29Å; Q259-L261 PolarHBondContact O-N 3.43Å; L261-H264 PolarHBondContact O-N 3.37Å; L261-Q265 VanDerWaalsContact O-CG 3.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.4Å; L261-Q265 PolarHBondContact O-N 3.02Å |
| 262 | E | 72.6 | Confident | 77.7 | Confident | 136 Ų | 136 | 99.2 Ų | 99.2 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.2 | -36.2 | 176.9 | -74.4 | 177.3 | -170 | 0 | 0 | 112.8 | K258 Q259 H264 Q265 | K258-E262 WeakPolarHBondContact O-CG 3.35Å; K258-E262 PolarHBondContact O-N 2.96Å; Q259-E262 PolarHBondContact O-N 3.33Å; E262-H264 VanDerWaalsContact C-N 3.32Å; E262-H264 PolarHBondContact O-N 2.98Å; E262-Q265 WeakPolarHBondContact O-CG 3.48Å |
| 263 | E | 78.1 | Confident | 77.6 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.6 | -26.1 | 176.6 | -74.2 | 174.3 | -171.9 | 0 | 0 | 112.8 | Q259 | Q259-E263 PolarHBondContact NE2-OE1 2.88Å; Q259-E263 VanDerWaalsContact NE2-OE1 3.09Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 3.4Å |
| 264 | H | 76.2 | Confident | 77.6 | Confident | 96 Ų | 96 | 98.9 Ų | 98.9 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | 33.1 | -171.6 | -60.2 | 84.6 | 0 | 0 | 0 | 114.2 | I238 Q260 L261 E262 N266 A267 | I238-H264 HydrophobicContact CD1-CB 3.62Å; Q260-H264 WeakPolarHBondContact O-CB 3.06Å; Q260-H264 PolarHBondContact O-N 2.9Å; Q260-H264 PolarHBondContact O-ND1 3.27Å; L261-H264 PolarHBondContact O-N 3.37Å; E262-H264 VanDerWaalsContact C-N 3.32Å; E262-H264 PolarHBondContact O-N 2.98Å; H264-N266 PolarHBondContact O-N 3.27Å; H264-A267 PolarHBondContact O-N 2.88Å; H264-A267 VanDerWaalsContact O-N 3.11Å |
| 265 | Q | 63.3 | Low | 77.9 | Confident | 135 Ų | 135 | 96.7 Ų | 96.7 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.1 | -175.8 | -70.1 | 179.6 | 1.3 | 0 | 0 | 116 | L261 E262 | L261-Q265 VanDerWaalsContact O-CG 3.24Å; L261-Q265 WeakPolarHBondContact O-CG 3.4Å; L261-Q265 PolarHBondContact O-N 3.02Å; E262-Q265 WeakPolarHBondContact O-CG 3.48Å |
| 266 | N | 67.4 | Low | 78.3 | Confident | 160 Ų | 160 | 90.8 Ų | 90.8 | 86% | 0.856 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 14 | -178.9 | -65.2 | -27.6 | 0 | 0 | 0 | 113.6 | H264 S268 | H264-N266 PolarHBondContact O-N 3.27Å; N266-S268 PolarHBondContact O-N 3.46Å; N266-S268 VanDerWaalsContact O-N 3.15Å |
| 267 | A | 76.5 | Confident | 78.9 | Confident | 24 Ų | 24 | 85.2 Ų | 85.2 | 20% | 0.198 | 45% | 0.445 | C | S | . | . | trans | -65.2 | 114.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I238 H264 | I238-A267 HydrophobicContact CG2-CB 3.89Å; H264-A267 PolarHBondContact O-N 2.88Å; H264-A267 VanDerWaalsContact O-N 3.11Å | ||
| 268 | S | 81.4 | Confident | 79.6 | Confident | 79 Ų | 79 | 84.1 Ų | 84.1 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -101.4 | 153.4 | 176 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | H235 N266 | H235-S268 PolarHBondContact NE2-O 2.92Å; N266-S268 PolarHBondContact O-N 3.46Å; N266-S268 VanDerWaalsContact O-N 3.15Å |
| 269 | P | 84.9 | Confident | 80.1 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 67% | 0.669 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 134.1 | 171.2 | 26.2 | -32.5 | 0 | 0 | 0 | 110.3 | L239 | L239-P269 HydrophobicContact CD1-CB 4.49Š|
| 270 | I | 87.9 | Confident | 80.4 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 43% | 0.431 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 129.9 | 179.5 | -59.9 | 165 | 0 | 0 | 0 | 108.7 | E274 W275 | I270-E274 HydrophobicContact CG2-CB 3.71Å; I270-W275 HydrophobicContact CD1-CZ2 4.11Å; I270-W275 HydrophobicContact CG2-CG 4.43Å |
| 271 | S | 87.5 | Confident | 80.9 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 41% | 0.413 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 154.4 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | T273 E274 W275 | S271-T273 PolarHBondContact O-N 3.27Å; S271-T273 PolarHBondContact OG-OG1 2.97Å; S271-E274 PolarHBondContact O-N 3.47Å; S271-E274 WeakPolarHBondContact OG-CG 3.44Å; S271-W275 VanDerWaalsContact O-CD1 3.25Å; S271-W275 PolarHBondContact O-N 2.85Å |
| 272 | S | 85.8 | Confident | 81.1 | Confident | 86 Ų | 86 | 73 Ų | 73 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 179.2 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | N276 | S272-N276 PolarHBondContact O-N 3.5Å; S272-N276 VanDerWaalsContact O-N 3.07Å; S272-N276 PolarHBondContact O-ND2 3.35Å |
| 273 | T | 84.6 | Confident | 81.3 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 176 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | S271 N276 R277 | S271-T273 PolarHBondContact O-N 3.27Å; S271-T273 PolarHBondContact OG-OG1 2.97Å; T273-N276 PolarHBondContact O-N 3.49Å; T273-R277 WeakPolarHBondContact O-CG 3.27Å; T273-R277 PolarHBondContact O-N 2.88Å; T273-R277 VanDerWaalsContact O-N 3.11Å |
| 274 | E | 86.3 | Confident | 81.3 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 176.9 | -67.5 | -65.7 | 106.6 | 0 | 0 | 111.5 | I270 S271 N276 R277 I278 W299 | I270-E274 HydrophobicContact CG2-CB 3.71Å; S271-E274 PolarHBondContact O-N 3.47Å; S271-E274 WeakPolarHBondContact OG-CG 3.44Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 2.67Å; E274-R277 WeakPolarHBondContact O-CB 3.49Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E274-R277 VanDerWaalsContact OE1-CD 3.26Å; E274-R277 WeakPolarHBondContact OE1-CD 3.41Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 2.64Å; E274-R277 IonicContact OE1-NH1 3Å; E274-R277 PolarHBondContact OE1-NH1 2.98Å; E274-I278 PolarHBondContact O-N 3.39Å; E274-W299 VanDerWaalsContact OE2-CE2 3.23Å; E274-W299 WeakPolarHBondContact OE2-CZ2 3.44Å; E274-W299 PolarHBondContact OE2-NE1 2.81Å |
| 275 | W | 88.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 36% | 0.36 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.7 | -48 | 170.9 | -77.3 | 108.7 | 0 | 0 | 0 | 111.9 | F228 I270 S271 R277 I278 T279 | F228-W275 HydrophobicContact CE1-CH2 4.33Å; F228-W275 HydrophobicContact CE1-CZ3 4.01Å; F228-W275 AromaticContact CZ-CH2 3.83Å; F228-W275 HydrophobicContact CZ-CH2 3.83Å; F228-W275 AromaticContact CZ-CZ3 3.5Å; F228-W275 HydrophobicContact CZ-CZ3 3.5Å; I270-W275 HydrophobicContact CD1-CZ2 4.11Å; I270-W275 HydrophobicContact CG2-CG 4.43Å; S271-W275 VanDerWaalsContact O-CD1 3.25Å; S271-W275 PolarHBondContact O-N 2.85Å; W275-R277 PolarHBondContact O-N 3.39Å; W275-I278 HydrophobicContact CE3-CD1 4.05Å; W275-I278 HydrophobicContact CZ3-CD1 4.23Å; W275-I278 VanDerWaalsContact O-CG1 3.27Å; W275-I278 WeakPolarHBondContact O-CG1 3.11Å; W275-I278 PolarHBondContact O-N 3.3Å; W275-T279 PolarHBondContact O-N 3.37Å; W275-T279 VanDerWaalsContact O-N 3.15Å; W275-T279 PolarHBondContact O-OG1 2.97Å |
| 276 | N | 86.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -31.5 | 178.4 | -71.1 | -24.4 | 0 | 0 | 0 | 112.5 | L88 R89 S272 T273 E274 | L88-N276 HydrophobicContact CD1-CB 4.03Å; L88-N276 HydrophobicContact CD2-CB 4.23Å; L88-N276 WeakPolarHBondContact CD2-OD1 3.25Å; R89-N276 PolarHBondContact NH2-O 2.83Å; S272-N276 PolarHBondContact O-N 3.5Å; S272-N276 VanDerWaalsContact O-N 3.07Å; S272-N276 PolarHBondContact O-ND2 3.35Å; T273-N276 PolarHBondContact O-N 3.49Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 2.67Å |
| 277 | R | 84.2 | Confident | 82.7 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 179.8 | -76.6 | 166.4 | 172.3 | -169.4 | -3.6 | 112.5 | T273 E274 W275 R295 M311 E312 M315 | T273-R277 WeakPolarHBondContact O-CG 3.27Å; T273-R277 PolarHBondContact O-N 2.88Å; T273-R277 VanDerWaalsContact O-N 3.11Å; E274-R277 WeakPolarHBondContact O-CB 3.49Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E274-R277 VanDerWaalsContact OE1-CD 3.26Å; E274-R277 WeakPolarHBondContact OE1-CD 3.41Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 2.64Å; E274-R277 IonicContact OE1-NH1 3Å; E274-R277 PolarHBondContact OE1-NH1 2.98Å; W275-R277 PolarHBondContact O-N 3.39Å; R277-R295 PolarHBondContact O-NE 2.83Å; R277-R295 VanDerWaalsContact O-NE 3.15Å; R277-R295 PolarHBondContact O-NH2 3.16Å; R277-M311 HydrophobicContact CG-CE 4.47Å; R277-E312 IonicContact CZ-OE1 3.25Å; R277-E312 IonicContact NH2-OE1 3.83Å; R277-E312 PolarHBondContact NH2-OE1 3.4Å; R277-E312 IonicContact NH2-OE2 3.89Å; R277-M315 HydrophobicContact CG-CE 4.26Å; R277-M315 HydrophobicContact CG-SD 4.42Å |
| 278 | I | 88 | Confident | 82.8 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.185 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -88.2 | -15.7 | -179.5 | 66.6 | 168.5 | 0 | 0 | 0 | 113.6 | F228 E274 W275 R295 L296 W299 | F228-I278 HydrophobicContact CE2-CD1 3.9Å; F228-I278 HydrophobicContact CZ-CD1 3.91Å; E274-I278 PolarHBondContact O-N 3.39Å; W275-I278 HydrophobicContact CE3-CD1 4.05Å; W275-I278 HydrophobicContact CZ3-CD1 4.23Å; W275-I278 VanDerWaalsContact O-CG1 3.27Å; W275-I278 WeakPolarHBondContact O-CG1 3.11Å; W275-I278 PolarHBondContact O-N 3.3Å; I278-R295 WeakPolarHBondContact O-CB 3.33Å; I278-L296 HydrophobicContact CB-CB 4.49Å; I278-L296 HydrophobicContact CB-CD1 4.45Å; I278-L296 HydrophobicContact CD1-CD1 4.41Å; I278-L296 HydrophobicContact CG2-CB 4.42Å; I278-L296 HydrophobicContact CG2-CD1 3.82Å; I278-W299 HydrophobicContact CG2-CB 3.95Å; I278-W299 HydrophobicContact CG2-CD2 4.41Å; I278-W299 HydrophobicContact CG2-CG 4.02Å |
| 279 | T | 85.7 | Confident | 82.6 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | trans | -84.6 | 143.5 | 176 | -55 | 0 | 0 | 0 | 0 | 112.9 | R89 W275 | R89-T279 PolarHBondContact NH1-O 3.46Å; W275-T279 PolarHBondContact O-N 3.37Å; W275-T279 VanDerWaalsContact O-N 3.15Å; W275-T279 PolarHBondContact O-OG1 2.97Å | ||
| 280 | G | 81.6 | Confident | 82.5 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 120.7 | -174.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 281 | I | 80.1 | Confident | 82.3 | Confident | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | trans | -70.9 | 135.3 | -178.7 | -63.8 | 164.4 | 0 | 0 | 0 | 110.2 | D81 L82 E85 L94 V102 L283 | D81-I281 HydrophobicContact CB-CG1 4.21Å; L82-I281 HydrophobicContact CB-CD1 3.8Å; L82-I281 HydrophobicContact CD1-CD1 3.41Å; L82-I281 VanDerWaalsContact CD1-CD1 3.41Å; L82-I281 HydrophobicContact CG-CD1 4.2Å; E85-I281 HydrophobicContact CB-CD1 4.47Å; L94-I281 HydrophobicContact CD1-CD1 4.49Å; V102-I281 HydrophobicContact CG1-CD1 3.9Å; V102-I281 HydrophobicContact CG2-CD1 4.25Å; V102-I281 HydrophobicContact CG2-CG2 4.25Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.38Å | ||
| 282 | C | 77.1 | Confident | 82.3 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | trans | -106.8 | 111.7 | 169.4 | -162.4 | 0 | 0 | 0 | 0 | 109.7 | S294 R295 | C282-S294 VanDerWaalsContact SG-CA 3.51Å; C282-R295 HydrophobicContact CB-CG 4.13Å | ||
| 283 | L | 77.1 | Confident | 82.3 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | trans | -86.5 | 144.6 | 165.6 | -60.5 | 174.8 | 0 | 0 | 0 | 108.6 | A98 I281 R285 | A98-L283 HydrophobicContact CB-CD1 3.67Å; A98-L283 HydrophobicContact CB-CD2 4.02Å; I281-L283 HydrophobicContact CG2-CD2 4.21Å; I281-L283 HydrophobicContact CG2-CG 4.38Å; L283-R285 PolarHBondContact O-N 3.47Å | ||
| 284 | Y | 77.5 | Confident | 82.6 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | trans | -57.2 | 130.7 | 176.5 | -179.3 | -97.7 | 0 | 0 | 0 | 110.3 | L209 Q213 W217 E286 P291 | L209-Y284 HydrophobicContact CD1-CD2 3.74Å; L209-Y284 HydrophobicContact CD1-CE2 4.18Å; L209-Y284 HydrophobicContact CD1-CG 3.97Å; L209-Y284 HydrophobicContact CD2-CD1 3.81Å; L209-Y284 HydrophobicContact CD2-CD2 3.67Å; L209-Y284 HydrophobicContact CD2-CE1 3.5Å; L209-Y284 HydrophobicContact CD2-CE2 3.33Å; L209-Y284 HydrophobicContact CD2-CG 3.88Å; L209-Y284 HydrophobicContact CG-CD1 4.43Å; L209-Y284 HydrophobicContact CG-CD2 4.25Å; L209-Y284 HydrophobicContact CG-CE2 4.35Å; L209-Y284 HydrophobicContact CG-CG 4.27Å; Q213-Y284 PolarHBondContact NE2-OH 2.88Å; W217-Y284 HydrophobicContact CE3-CD2 4.46Å; W217-Y284 HydrophobicContact CH2-CD2 4.5Å; W217-Y284 HydrophobicContact CZ3-CD2 4.3Å; Y284-E286 HydrophobicContact CE1-CG 3.72Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.21Å; Y284-E286 VanDerWaalsContact OH-CD 3.3Å; Y284-E286 VanDerWaalsContact OH-CG 3.25Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.29Å; Y284-P291 HydrophobicContact CE2-CB 3.75Å | ||
| 285 | R | 78 | Confident | 82.6 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.6 | 174.9 | -70.5 | -170.7 | -179.1 | -168.9 | 0.3 | 109.5 | L283 L292 | L283-R285 PolarHBondContact O-N 3.47Å; R285-L292 HydrophobicContact CB-CD1 4.32Å; R285-L292 WeakPolarHBondContact O-CB 3.28Å; R285-L292 PolarHBondContact O-N 3.45Å |
| 286 | E | 81.4 | Confident | 82.8 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.9 | 172.1 | -69.1 | 175.3 | -166.2 | 0 | 0 | 109.9 | Y284 L290 | Y284-E286 HydrophobicContact CE1-CG 3.72Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.21Å; Y284-E286 VanDerWaalsContact OH-CD 3.3Å; Y284-E286 VanDerWaalsContact OH-CG 3.25Å; Y284-E286 WeakPolarHBondContact OH-CG 3.5Å; Y284-E286 PolarHBondContact OH-OE1 3.29Å; E286-L290 CarbonylContact C-O 3.5Å; E286-L290 VanDerWaalsContact CA-O 3.25Å; E286-L290 WeakPolarHBondContact CA-O 3.39Å |
| 287 | K | 76.5 | Confident | 83 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.2 | 171.6 | -174 | -170.1 | -176.8 | -167.3 | 0 | 107.7 | G289 L290 L292 Y302 E305 | K287-G289 PolarHBondContact O-N 3.45Å; K287-L290 PolarHBondContact N-O 3.46Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.26Å; K287-L292 HydrophobicContact CB-CD1 4.31Å; K287-L292 HydrophobicContact CB-CG 4.48Å; K287-Y302 HydrophobicContact CD-CD2 4.48Å; K287-Y302 HydrophobicContact CD-CE2 3.73Å; K287-E305 IonicContact NZ-OE1 2.94Å; K287-E305 PolarHBondContact NZ-OE1 2.93Å; K287-E305 IonicContact NZ-OE2 2.66Å; K287-E305 PolarHBondContact NZ-OE2 3.27Å |
| 288 | R | 77.9 | Confident | 83.1 | Confident | 211 Ų | 211 | 50.4 Ų | 50.4 | 80% | 0.796 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37.6 | -179 | -57.6 | 178.9 | -178.6 | 169.9 | 1.5 | 113.3 | L290 | R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 2.96Å |
| 289 | G | 78.3 | Confident | 83.1 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 1.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K287 | K287-G289 PolarHBondContact O-N 3.45Š|
| 290 | L | 82.7 | Confident | 83.2 | Confident | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.2 | 173.2 | -66.9 | 172.3 | 0 | 0 | 0 | 111.1 | E286 K287 R288 | E286-L290 CarbonylContact C-O 3.5Å; E286-L290 VanDerWaalsContact CA-O 3.25Å; E286-L290 WeakPolarHBondContact CA-O 3.39Å; K287-L290 PolarHBondContact N-O 3.46Å; K287-L290 WeakPolarHBondContact O-CB 3.48Å; K287-L290 PolarHBondContact O-N 3.26Å; R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 2.96Å |
| 291 | P | 84.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 16% | 0.156 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 140.3 | -179.7 | 27.3 | -34 | 0 | 0 | 0 | 112.9 | Y284 Y293 | Y284-P291 HydrophobicContact CE2-CB 3.75Å; P291-Y293 HydrophobicContact CB-CE1 3.88Å; P291-Y293 HydrophobicContact CB-CE2 4.16Å; P291-Y293 HydrophobicContact CG-CE1 4.06Å; P291-Y293 HydrophobicContact CG-CE2 3.75Å; P291-Y293 WeakPolarHBondContact CG-OH 3.42Å |
| 292 | L | 86.7 | Confident | 83.3 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 108.9 | 171.7 | -64 | 175.9 | 0 | 0 | 0 | 109.6 | R285 K287 K298 Q301 | R285-L292 HydrophobicContact CB-CD1 4.32Å; R285-L292 WeakPolarHBondContact O-CB 3.28Å; R285-L292 PolarHBondContact O-N 3.45Å; K287-L292 HydrophobicContact CB-CD1 4.31Å; K287-L292 HydrophobicContact CB-CG 4.48Å; L292-K298 HydrophobicContact CD1-CB 4.31Å; L292-K298 HydrophobicContact CD1-CD 4.13Å; L292-K298 HydrophobicContact CD1-CG 3.96Å; L292-K298 HydrophobicContact CD2-CB 4.36Å; L292-Q301 VanDerWaalsContact CD2-CD 3.45Å; L292-Q301 HydrophobicContact CD2-CG 4.37Å |
| 293 | Y | 86.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | trans | -88.7 | -20.8 | -172.4 | -61.9 | -65.9 | 0 | 0 | 0 | 114.3 | Y216 W217 F220 R221 P291 | Y216-Y293 AromaticContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE1 3.9Å; Y216-Y293 HydrophobicContact CD1-CE2 4.25Å; Y216-Y293 AromaticContact CD1-CZ 3.66Å; Y216-Y293 HydrophobicContact CE1-CD2 4.28Å; Y216-Y293 HydrophobicContact CE1-CE1 4.1Å; Y216-Y293 AromaticContact CE1-CE2 3.61Å; Y216-Y293 HydrophobicContact CE1-CE2 3.61Å; Y216-Y293 AromaticContact CE1-CZ 3.48Å; Y216-Y293 VanDerWaalsContact CE1-CZ 3.48Å; W217-Y293 HydrophobicContact CB-CD1 3.93Å; W217-Y293 HydrophobicContact CB-CE1 4.21Å; W217-Y293 AromaticContact CD1-CD1 3.52Å; W217-Y293 AromaticContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CD1 3.75Å; W217-Y293 HydrophobicContact CG-CE1 4.46Å; W217-Y293 PolarHBondContact NE1-O 3.2Å; F220-Y293 VanDerWaalsContact CD1-CB 3.43Å; F220-Y293 HydrophobicContact CD1-CD2 4.48Å; F220-Y293 HydrophobicContact CD1-CG 4.18Å; F220-Y293 HydrophobicContact CD2-CD2 4.45Å; F220-Y293 HydrophobicContact CG-CD2 4.38Å; F220-Y293 HydrophobicContact CG-CG 4.32Å; R221-Y293 WeakPolarHBondContact CD-O 3.37Å; P291-Y293 HydrophobicContact CB-CE1 3.88Å; P291-Y293 HydrophobicContact CB-CE2 4.16Å; P291-Y293 HydrophobicContact CG-CE1 4.06Å; P291-Y293 HydrophobicContact CG-CE2 3.75Å; P291-Y293 WeakPolarHBondContact CG-OH 3.42Å | ||
| 294 | S | 89.8 | Confident | 83 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -153.7 | 168.8 | -179.6 | 76.9 | 0 | 0 | 0 | 0 | 110.9 | E224 C282 L296 N297 K298 | E224-S294 WeakPolarHBondContact OE1-CB 3.5Å; E224-S294 PolarHBondContact OE1-OG 3.25Å; E224-S294 WeakPolarHBondContact OE2-CB 3.4Å; E224-S294 PolarHBondContact OE2-OG 2.68Å; C282-S294 VanDerWaalsContact SG-CA 3.51Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact OG-N 3.42Å; S294-N297 WeakPolarHBondContact OG-CB 3.3Å; S294-N297 PolarHBondContact OG-N 3.23Å; S294-K298 WeakPolarHBondContact O-CB 3.43Å; S294-K298 PolarHBondContact O-N 3.16Å |
| 295 | R | 87.5 | Confident | 82.5 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 173 | -68.9 | -70.2 | -61.3 | -148.1 | 3.9 | 111.7 | R277 I278 C282 K298 W299 | R277-R295 PolarHBondContact O-NE 2.83Å; R277-R295 VanDerWaalsContact O-NE 3.15Å; R277-R295 PolarHBondContact O-NH2 3.16Å; I278-R295 WeakPolarHBondContact O-CB 3.33Å; C282-R295 HydrophobicContact CB-CG 4.13Å; R295-K298 PolarHBondContact O-N 2.84Å; R295-W299 WeakPolarHBondContact O-CB 3.26Å; R295-W299 PolarHBondContact O-N 2.89Å |
| 296 | L | 90.9 | Very high | 81.9 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.5 | -44 | 176.2 | 178.8 | 63.6 | 0 | 0 | 0 | 111.2 | E224 F228 I278 S294 K298 W299 A300 | E224-L296 HydrophobicContact CG-CD2 4.11Å; F228-L296 HydrophobicContact CD2-CD2 3.83Å; F228-L296 HydrophobicContact CE2-CD2 4.22Å; I278-L296 HydrophobicContact CB-CB 4.49Å; I278-L296 HydrophobicContact CB-CD1 4.45Å; I278-L296 HydrophobicContact CD1-CD1 4.41Å; I278-L296 HydrophobicContact CG2-CB 4.42Å; I278-L296 HydrophobicContact CG2-CD1 3.82Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact OG-N 3.42Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3Å; L296-W299 HydrophobicContact CD1-CE3 3.98Å; L296-W299 HydrophobicContact CD1-CZ3 4.45Å; L296-W299 PolarHBondContact O-N 3.18Å; L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.22Å |
| 297 | N | 90 | Very high | 81 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 172.4 | -178.2 | -69.7 | 0 | 0 | 0 | 111 | F220 S294 A300 Q301 | F220-N297 HydrophobicContact CE1-CB 4.25Å; F220-N297 HydrophobicContact CZ-CB 4.18Å; F220-N297 WeakPolarHBondContact CZ-ND2 2.94Å; S294-N297 WeakPolarHBondContact OG-CB 3.3Å; S294-N297 PolarHBondContact OG-N 3.23Å; N297-A300 PolarHBondContact O-N 3.06Å; N297-Q301 WeakPolarHBondContact O-CG 3.38Å; N297-Q301 PolarHBondContact O-N 3.31Å; N297-Q301 PolarHBondContact OD1-NE2 3.44Å |
| 298 | K | 87.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -53.2 | 172.7 | -176.1 | 176.2 | -174.5 | 178.8 | 0 | 111 | L292 S294 R295 L296 A300 Q301 Y302 E314 | L292-K298 HydrophobicContact CD1-CB 4.31Å; L292-K298 HydrophobicContact CD1-CD 4.13Å; L292-K298 HydrophobicContact CD1-CG 3.96Å; L292-K298 HydrophobicContact CD2-CB 4.36Å; S294-K298 WeakPolarHBondContact O-CB 3.43Å; S294-K298 PolarHBondContact O-N 3.16Å; R295-K298 PolarHBondContact O-N 2.84Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3Å; K298-A300 VanDerWaalsContact C-N 3.3Å; K298-A300 PolarHBondContact O-N 3.48Å; K298-Q301 PolarHBondContact O-N 2.9Å; K298-Y302 HydrophobicContact CD-CE2 4.41Å; K298-Y302 HydrophobicContact CG-CD2 3.93Å; K298-Y302 HydrophobicContact CG-CE2 3.84Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.24Å; K298-Y302 PolarHBondContact O-N 3.41Å; K298-E314 WeakPolarHBondContact CE-OE2 3.45Å; K298-E314 IonicContact NZ-OE2 3.47Å; K298-E314 PolarHBondContact NZ-OE2 2.84Å |
| 299 | W | 88.1 | Confident | 79.6 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 30% | 0.295 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55 | -46.1 | 179.1 | 171.8 | 87.6 | 0 | 0 | 0 | 111.9 | E274 I278 R295 L296 Q301 Y302 S303 | E274-W299 VanDerWaalsContact OE2-CE2 3.23Å; E274-W299 WeakPolarHBondContact OE2-CZ2 3.44Å; E274-W299 PolarHBondContact OE2-NE1 2.81Å; I278-W299 HydrophobicContact CG2-CB 3.95Å; I278-W299 HydrophobicContact CG2-CD2 4.41Å; I278-W299 HydrophobicContact CG2-CG 4.02Å; R295-W299 WeakPolarHBondContact O-CB 3.26Å; R295-W299 PolarHBondContact O-N 2.89Å; L296-W299 HydrophobicContact CD1-CE3 3.98Å; L296-W299 HydrophobicContact CD1-CZ3 4.45Å; L296-W299 PolarHBondContact O-N 3.18Å; W299-Q301 PolarHBondContact O-N 2.92Å; W299-Y302 PolarHBondContact O-N 3.17Å; W299-S303 WeakPolarHBondContact O-CB 3.07Å; W299-S303 PolarHBondContact O-N 3.3Å; W299-S303 PolarHBondContact O-OG 3.2Å |
| 300 | A | 88.3 | Confident | 78.7 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L296 N297 K298 Y302 S303 V304 | L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.22Å; N297-A300 PolarHBondContact O-N 3.06Å; K298-A300 VanDerWaalsContact C-N 3.3Å; K298-A300 PolarHBondContact O-N 3.48Å; A300-Y302 PolarHBondContact O-N 3.17Å; A300-S303 WeakPolarHBondContact CA-OG 3.45Å; A300-S303 PolarHBondContact O-OG 2.82Å; A300-S303 VanDerWaalsContact O-OG 3.09Å; A300-V304 WeakPolarHBondContact O-CB 2.85Å; A300-V304 WeakPolarHBondContact O-CG2 3.35Å; A300-V304 PolarHBondContact O-N 3.35Å |
| 301 | Q | 83.6 | Confident | 77.7 | Confident | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 177.9 | -72.8 | -169.8 | 18.8 | 0 | 0 | 113.2 | L292 N297 K298 W299 | L292-Q301 VanDerWaalsContact CD2-CD 3.45Å; L292-Q301 HydrophobicContact CD2-CG 4.37Å; N297-Q301 WeakPolarHBondContact O-CG 3.38Å; N297-Q301 PolarHBondContact O-N 3.31Å; N297-Q301 PolarHBondContact OD1-NE2 3.44Å; K298-Q301 PolarHBondContact O-N 2.9Å; W299-Q301 PolarHBondContact O-N 2.92Å |
| 302 | Y | 78.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.6 | -31.5 | 179.2 | -78 | -104.2 | 0 | 0 | 0 | 112.6 | K287 K298 W299 A300 E305 N307 M311 E314 | K287-Y302 HydrophobicContact CD-CD2 4.48Å; K287-Y302 HydrophobicContact CD-CE2 3.73Å; K298-Y302 HydrophobicContact CD-CE2 4.41Å; K298-Y302 HydrophobicContact CG-CD2 3.93Å; K298-Y302 HydrophobicContact CG-CE2 3.84Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.24Å; K298-Y302 PolarHBondContact O-N 3.41Å; W299-Y302 PolarHBondContact O-N 3.17Å; A300-Y302 PolarHBondContact O-N 3.17Å; Y302-E305 PolarHBondContact O-N 3.36Å; Y302-N307 PolarHBondContact O-N 3.38Å; Y302-N307 VanDerWaalsContact O-N 3.16Å; Y302-M311 HydrophobicContact CD1-CB 3.75Å; Y302-M311 HydrophobicContact CD1-CG 4.4Å; Y302-M311 HydrophobicContact CG-CB 3.97Å; Y302-M311 HydrophobicContact CG-CG 4.25Å; Y302-E314 PolarHBondContact OH-OE1 3.1Å; Y302-E314 PolarHBondContact OH-OE2 3.32Å |
| 303 | S | 77.2 | Confident | 75.3 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 176.3 | 64 | 0 | 0 | 0 | 0 | 111.9 | W299 A300 E305 N306 | W299-S303 WeakPolarHBondContact O-CB 3.07Å; W299-S303 PolarHBondContact O-N 3.3Å; W299-S303 PolarHBondContact O-OG 3.2Å; A300-S303 WeakPolarHBondContact CA-OG 3.45Å; A300-S303 PolarHBondContact O-OG 2.82Å; A300-S303 VanDerWaalsContact O-OG 3.09Å; S303-E305 PolarHBondContact O-N 2.91Å; S303-N306 PolarHBondContact O-N 3.38Å; S303-N306 VanDerWaalsContact O-N 3.14Å |
| 304 | V | 71.8 | Confident | 74 | Confident | 124 Ų | 124 | 60.3 Ų | 60.3 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64 | -29.6 | 176.9 | 172 | 0 | 0 | 0 | 0 | 112.4 | A300 N306 | A300-V304 WeakPolarHBondContact O-CB 2.85Å; A300-V304 WeakPolarHBondContact O-CG2 3.35Å; A300-V304 PolarHBondContact O-N 3.35Å; V304-N306 VanDerWaalsContact C-N 3.31Å; V304-N306 PolarHBondContact O-N 3.39Å |
| 305 | E | 67.5 | Low | 72.2 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.4 | 177.6 | -72.8 | 178.7 | -157.6 | 0 | 0 | 114 | K287 Y302 S303 N307 | K287-E305 IonicContact NZ-OE1 2.94Å; K287-E305 PolarHBondContact NZ-OE1 2.93Å; K287-E305 IonicContact NZ-OE2 2.66Å; K287-E305 PolarHBondContact NZ-OE2 3.27Å; Y302-E305 PolarHBondContact O-N 3.36Å; S303-E305 PolarHBondContact O-N 2.91Å; E305-N307 HydrophobicContact CB-CB 4.13Å; E305-N307 PolarHBondContact O-N 2.81Å; E305-N307 VanDerWaalsContact O-N 3.09Å |
| 306 | N | 63.9 | Low | 70.1 | Confident | 146 Ų | 146 | 66 Ų | 66 | 78% | 0.781 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 27.4 | -171.6 | -78.1 | -22.7 | 0 | 0 | 0 | 113.7 | S303 V304 I308 | S303-N306 PolarHBondContact O-N 3.38Å; S303-N306 VanDerWaalsContact O-N 3.14Å; V304-N306 VanDerWaalsContact C-N 3.31Å; V304-N306 PolarHBondContact O-N 3.39Å; N306-I308 PolarHBondContact O-N 2.8Å |
| 307 | N | 64 | Low | 67.5 | Low | 65 Ų | 65 | 68.3 Ų | 68.3 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | trans | -105.1 | 45.7 | -172.3 | -105.5 | -29.9 | 0 | 0 | 0 | 111.1 | Y302 E305 D309 A310 M311 | Y302-N307 PolarHBondContact O-N 3.38Å; Y302-N307 VanDerWaalsContact O-N 3.16Å; E305-N307 HydrophobicContact CB-CB 4.13Å; E305-N307 PolarHBondContact O-N 2.81Å; E305-N307 VanDerWaalsContact O-N 3.09Å; N307-D309 VanDerWaalsContact C-N 3.3Å; N307-D309 PolarHBondContact O-N 3.5Å; N307-A310 HydrophobicContact CB-CB 4Å; N307-A310 PolarHBondContact O-N 3.24Å; N307-A310 VanDerWaalsContact O-N 3.14Å; N307-M311 PolarHBondContact O-N 3.25Å | ||
| 308 | I | 63.7 | Low | 65.4 | Low | 77 Ų | 77 | 71.1 Ų | 71.1 | 40% | 0.395 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | -178.4 | -63.2 | 173.5 | 0 | 0 | 0 | 110.4 | N306 A310 M311 E312 | N306-I308 PolarHBondContact O-N 2.8Å; I308-A310 VanDerWaalsContact C-N 3.3Å; I308-A310 PolarHBondContact O-N 2.91Å; I308-M311 WeakPolarHBondContact O-CB 3.16Å; I308-M311 PolarHBondContact O-N 3Å; I308-E312 WeakPolarHBondContact O-CB 3.35Å; I308-E312 PolarHBondContact O-N 2.91Å |
| 309 | D | 59.4 | Low | 62.9 | Low | 119 Ų | 119 | 78.7 Ų | 78.7 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -30.9 | 175.9 | -67.6 | -12.8 | 0 | 0 | 0 | 112.8 | N307 K313 | N307-D309 VanDerWaalsContact C-N 3.3Å; N307-D309 PolarHBondContact O-N 3.5Å; D309-K313 VanDerWaalsContact O-CB 3.24Å; D309-K313 WeakPolarHBondContact O-CB 3.43Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 3.13Å |
| 310 | A | 61.2 | Low | 61.7 | Low | 32 Ų | 32 | 78.8 Ų | 78.8 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.8 | -34 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N307 I308 E314 | N307-A310 HydrophobicContact CB-CB 4Å; N307-A310 PolarHBondContact O-N 3.24Å; N307-A310 VanDerWaalsContact O-N 3.14Å; I308-A310 VanDerWaalsContact C-N 3.3Å; I308-A310 PolarHBondContact O-N 2.91Å; A310-E314 WeakPolarHBondContact O-CB 3.32Å; A310-E314 PolarHBondContact O-N 2.93Å |
| 311 | M | 61.3 | Low | 60.3 | Low | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.039 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 171.1 | -171.9 | -179.3 | 65.7 | 0 | 0 | 111.2 | R277 Y302 N307 I308 M315 | R277-M311 HydrophobicContact CG-CE 4.47Å; Y302-M311 HydrophobicContact CD1-CB 3.75Å; Y302-M311 HydrophobicContact CD1-CG 4.4Å; Y302-M311 HydrophobicContact CG-CB 3.97Å; Y302-M311 HydrophobicContact CG-CG 4.25Å; N307-M311 PolarHBondContact O-N 3.25Å; I308-M311 WeakPolarHBondContact O-CB 3.16Å; I308-M311 PolarHBondContact O-N 3Å; M311-M315 HydrophobicContact CG-SD 4.29Å; M311-M315 VanDerWaalsContact O-CB 3.24Å; M311-M315 WeakPolarHBondContact O-CB 3.33Å; M311-M315 WeakPolarHBondContact O-CG 3.37Å; M311-M315 PolarHBondContact O-N 2.78Å |
| 312 | E | 61.3 | Low | 59 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 179.2 | -153 | 147.6 | -120.3 | 0 | 0 | 111.3 | R277 I308 M315 D316 | R277-E312 IonicContact CZ-OE1 3.25Å; R277-E312 IonicContact NH2-OE1 3.83Å; R277-E312 PolarHBondContact NH2-OE1 3.4Å; R277-E312 IonicContact NH2-OE2 3.89Å; I308-E312 WeakPolarHBondContact O-CB 3.35Å; I308-E312 PolarHBondContact O-N 2.91Å; E312-M315 CarbonylContact O-C 3.55Å; E312-M315 WeakPolarHBondContact O-CA 3.39Å; E312-M315 VanDerWaalsContact O-CB 3.28Å; E312-M315 WeakPolarHBondContact O-CB 3.1Å; E312-M315 PolarHBondContact O-N 3.46Å; E312-D316 WeakPolarHBondContact O-CB 3.35Å; E312-D316 PolarHBondContact O-N 3.09Å |
| 313 | K | 58.6 | Low | 57.8 | Low | 140 Ų | 140 | 87.1 Ų | 87.1 | 61% | 0.609 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63 | -48.2 | 168.5 | -80.1 | 176.8 | 178.5 | 173.3 | 0 | 112.4 | D309 M315 D316 T317 | D309-K313 VanDerWaalsContact O-CB 3.24Å; D309-K313 WeakPolarHBondContact O-CB 3.43Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 3.13Å; K313-M315 PolarHBondContact O-N 2.9Å; K313-M315 VanDerWaalsContact O-N 3.09Å; K313-D316 PolarHBondContact O-N 3.01Å; K313-T317 HydrophobicContact CB-CG2 4.21Å; K313-T317 HydrophobicContact CG-CG2 4.38Å; K313-T317 WeakPolarHBondContact O-CB 3.42Å; K313-T317 PolarHBondContact O-N 3.24Å; K313-T317 PolarHBondContact O-OG1 3.21Å |
| 314 | E | 59.8 | Low | 56.6 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 30% | 0.304 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -20.5 | 169.7 | -85.8 | -169.9 | -158.4 | 0 | 0 | 113 | K298 Y302 A310 | K298-E314 WeakPolarHBondContact CE-OE2 3.45Å; K298-E314 IonicContact NZ-OE2 3.47Å; K298-E314 PolarHBondContact NZ-OE2 2.84Å; Y302-E314 PolarHBondContact OH-OE1 3.1Å; Y302-E314 PolarHBondContact OH-OE2 3.32Å; A310-E314 WeakPolarHBondContact O-CB 3.32Å; A310-E314 PolarHBondContact O-N 2.93Å |
| 315 | M | 52.7 | Low | 55.6 | Low | 31 Ų | 31 | 88.1 Ų | 88.1 | 15% | 0.153 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -85.2 | -17.3 | 170.9 | -77.8 | 177.5 | 42 | 0 | 0 | 114 | K93 R277 M311 E312 K313 | K93-M315 WeakPolarHBondContact CE-O 3.36Å; K93-M315 PolarHBondContact NZ-O 3.48Å; R277-M315 HydrophobicContact CG-CE 4.26Å; R277-M315 HydrophobicContact CG-SD 4.42Å; M311-M315 HydrophobicContact CG-SD 4.29Å; M311-M315 VanDerWaalsContact O-CB 3.24Å; M311-M315 WeakPolarHBondContact O-CB 3.33Å; M311-M315 WeakPolarHBondContact O-CG 3.37Å; M311-M315 PolarHBondContact O-N 2.78Å; E312-M315 CarbonylContact O-C 3.55Å; E312-M315 WeakPolarHBondContact O-CA 3.39Å; E312-M315 VanDerWaalsContact O-CB 3.28Å; E312-M315 WeakPolarHBondContact O-CB 3.1Å; E312-M315 PolarHBondContact O-N 3.46Å; K313-M315 PolarHBondContact O-N 2.9Å; K313-M315 VanDerWaalsContact O-N 3.09Å |
| 316 | D | 42.8 | Very low | 54.7 | Low | 125 Ų | 125 | 89 Ų | 89 | 67% | 0.668 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -116.4 | -28.1 | -176.1 | -73 | -20.1 | 0 | 0 | 0 | 113.4 | E312 K313 L318 | E312-D316 WeakPolarHBondContact O-CB 3.35Å; E312-D316 PolarHBondContact O-N 3.09Å; K313-D316 PolarHBondContact O-N 3.01Å; D316-L318 PolarHBondContact O-N 3.3Å |
| 317 | T | 37.2 | Very low | 54 | Low | 93 Ų | 93 | 84.6 Ų | 84.6 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -96 | 23.4 | -169.2 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | K313 | K313-T317 HydrophobicContact CB-CG2 4.21Å; K313-T317 HydrophobicContact CG-CG2 4.38Å; K313-T317 WeakPolarHBondContact O-CB 3.42Å; K313-T317 PolarHBondContact O-N 3.24Å; K313-T317 PolarHBondContact O-OG1 3.21Å |
| 318 | L | 45.5 | Very low | 53.2 | Low | 88 Ų | 88 | 86.3 Ų | 86.3 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | trans | -125.2 | 61.2 | 179.8 | -70.5 | 169.7 | 0 | 0 | 0 | 111.1 | D316 | D316-L318 PolarHBondContact O-N 3.3Š| ||
| 319 | S | 34.7 | Very low | 52.2 | Low | 184 Ų | 184 | 87.1 Ų | 87.1 | 100% | 1.287 | 49% | 0.485 | S | S | * | . | trans | -73.2 | 0 | 149.8 | 60.4 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 319 of 319 residues in 2152.5 ms
(Link to these results)