| 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 | 37.7 | Very low | 52.4 | Low | 241 Ų | 241 | 103.1 Ų | 103.1 | 100% | 1.187 | 52% | 0.517 | S | S | * | . | 0 | 106.6 | 0 | -66.2 | -177 | -171.5 | 0 | 0 | 106.6 | T3 | M1-T3 PolarHBondContact O-N 3.28Š| |||
| 2 | L | 38 | Very low | 53 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 68% | 0.681 | 48% | 0.484 | S | S | * | . | trans | -69.8 | 127 | 174.6 | -71 | 149.1 | 0 | 0 | 0 | 106.8 | Q6 | L2-Q6 HydrophobicContact CB-CB 4.21Å; L2-Q6 HydrophobicContact CD2-CB 4.24Å; L2-Q6 HydrophobicContact CD2-CG 4.35Å | ||
| 3 | T | 51.1 | Low | 53.3 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | trans | -62.1 | 150 | 177.5 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | M1 S5 Q6 | M1-T3 PolarHBondContact O-N 3.28Å; T3-S5 PolarHBondContact O-N 3.44Å; T3-Q6 VanDerWaalsContact N-OE1 3.11Å; T3-Q6 WeakPolarHBondContact O-CB 3.43Å; T3-Q6 PolarHBondContact O-N 3.44Å | ||
| 4 | D | 54.4 | Low | 53.8 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 60% | 0.599 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -52.9 | -27 | 179.1 | -77.7 | -42.9 | 0 | 0 | 0 | 114.1 | Q6 H7 L8 | D4-Q6 PolarHBondContact O-N 3.2Å; D4-H7 PolarHBondContact O-N 3.2Å; D4-H7 VanDerWaalsContact O-N 3.08Å; D4-L8 PolarHBondContact O-N 3.46Å; D4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | S | 54.7 | Low | 54 | Low | 42 Ų | 42 | 94.7 Ų | 94.7 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.4 | -33.4 | 171.1 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | T3 V9 A141 | T3-S5 PolarHBondContact O-N 3.44Å; S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.44Å; S5-V9 PolarHBondContact O-N 3.36Å; S5-A141 WeakPolarHBondContact OG-CB 3.37Å |
| 6 | Q | 54.1 | Low | 54.2 | Low | 82 Ų | 82 | 90.6 Ų | 90.6 | 38% | 0.383 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.1 | -31.3 | 177.2 | -70.8 | 171.5 | -43.3 | 0 | 0 | 111.4 | L2 T3 D4 V9 L10 | L2-Q6 HydrophobicContact CB-CB 4.21Å; L2-Q6 HydrophobicContact CD2-CB 4.24Å; L2-Q6 HydrophobicContact CD2-CG 4.35Å; T3-Q6 VanDerWaalsContact N-OE1 3.11Å; T3-Q6 WeakPolarHBondContact O-CB 3.43Å; T3-Q6 PolarHBondContact O-N 3.44Å; D4-Q6 PolarHBondContact O-N 3.2Å; Q6-V9 PolarHBondContact O-N 3.33Å; Q6-L10 WeakPolarHBondContact O-CB 3.44Å; Q6-L10 WeakPolarHBondContact O-CG 3.37Å; Q6-L10 PolarHBondContact O-N 3.12Å |
| 7 | H | 57.8 | Low | 54.6 | Low | 137 Ų | 137 | 90.7 Ų | 90.7 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.6 | -39.5 | 177.1 | -141.2 | -89.9 | 0 | 0 | 0 | 111.6 | D4 L10 W11 | D4-H7 PolarHBondContact O-N 3.2Å; D4-H7 VanDerWaalsContact O-N 3.08Å; H7-L10 PolarHBondContact O-N 3.27Å; H7-W11 PolarHBondContact O-N 3.06Å |
| 8 | L | 55.2 | Low | 54.8 | Low | 33 Ų | 33 | 86.9 Ų | 86.9 | 17% | 0.173 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.8 | -167 | 83 | 0 | 0 | 0 | 112 | D4 L10 W11 L12 V65 L145 | D4-L8 PolarHBondContact O-N 3.46Å; D4-L8 VanDerWaalsContact O-N 3.15Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-W11 PolarHBondContact O-N 2.86Å; L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L8-V65 HydrophobicContact CD2-CG2 4.01Å; L8-L145 HydrophobicContact CD1-CD2 3.35Å; L8-L145 HydrophobicContact CD2-CD2 4.06Å; L8-L145 HydrophobicContact CG-CD2 4.31Å |
| 9 | V | 56 | Low | 55 | Low | 28 Ų | 28 | 82.4 Ų | 82.4 | 17% | 0.17 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 177 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | S5 Q6 N13 F23 | S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.44Å; S5-V9 PolarHBondContact O-N 3.36Å; Q6-V9 PolarHBondContact O-N 3.33Å; V9-N13 WeakPolarHBondContact CG1-ND2 3.33Å; V9-N13 WeakPolarHBondContact O-CB 3.17Å; V9-N13 PolarHBondContact O-N 3.29Å; V9-N13 PolarHBondContact O-ND2 3.38Å; V9-N13 PolarHBondContact O-OD1 3.28Å; V9-F23 HydrophobicContact CG1-CD1 4.33Å; V9-F23 HydrophobicContact CG1-CD2 4.38Å; V9-F23 HydrophobicContact CG1-CG 4.22Å; V9-F23 HydrophobicContact CG2-CE1 4.25Å; V9-F23 HydrophobicContact CG2-CZ 4.27Å |
| 10 | L | 57.9 | Low | 55.2 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.2 | -74.9 | 168.2 | 0 | 0 | 0 | 112 | Q6 H7 L8 L12 N13 E14 | Q6-L10 WeakPolarHBondContact O-CB 3.44Å; Q6-L10 WeakPolarHBondContact O-CG 3.37Å; Q6-L10 PolarHBondContact O-N 3.12Å; H7-L10 PolarHBondContact O-N 3.27Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.48Å; L10-N13 WeakPolarHBondContact O-CB 3.29Å; L10-N13 PolarHBondContact O-N 3.36Å; L10-N13 VanDerWaalsContact O-N 3.09Å; L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.09Å |
| 11 | W | 59 | Low | 55.5 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 61% | 0.606 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 178.3 | -171.7 | 79.3 | 0 | 0 | 0 | 112.3 | H7 L8 N13 | H7-W11 PolarHBondContact O-N 3.06Å; L8-W11 PolarHBondContact O-N 2.86Å; W11-N13 VanDerWaalsContact C-N 3.34Å |
| 12 | L | 59.5 | Low | 56.6 | Low | 22 Ų | 22 | 75.1 Ų | 75.1 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.6 | -29.2 | 175 | -69.6 | 167.1 | 0 | 0 | 0 | 113.1 | L8 L10 N16 A68 | L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.48Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-A68 HydrophobicContact CD1-CB 3.04Å; L12-A68 HydrophobicContact CG-CB 4.5Å |
| 13 | N | 57.9 | Low | 57.7 | Low | 23 Ų | 23 | 70.4 Ų | 70.4 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.2 | -34.4 | 176.8 | -78.6 | -24.8 | 0 | 0 | 0 | 113 | V9 L10 W11 G15 N16 V19 R20 | V9-N13 WeakPolarHBondContact CG1-ND2 3.33Å; V9-N13 WeakPolarHBondContact O-CB 3.17Å; V9-N13 PolarHBondContact O-N 3.29Å; V9-N13 PolarHBondContact O-ND2 3.38Å; V9-N13 PolarHBondContact O-OD1 3.28Å; L10-N13 WeakPolarHBondContact O-CB 3.29Å; L10-N13 PolarHBondContact O-N 3.36Å; L10-N13 VanDerWaalsContact O-N 3.09Å; W11-N13 VanDerWaalsContact C-N 3.34Å; N13-G15 PolarHBondContact O-N 3.2Å; N13-N16 PolarHBondContact O-N 3.36Å; N13-V19 VanDerWaalsContact OD1-CG1 3.26Å; N13-V19 WeakPolarHBondContact OD1-CG1 3.44Å; N13-R20 HydrophobicContact CB-CB 4.18Å; N13-R20 HydrophobicContact CB-CG 4.42Å; N13-R20 WeakPolarHBondContact OD1-CA 3.42Å; N13-R20 PolarHBondContact OD1-N 3.24Å; N13-R20 VanDerWaalsContact OD1-N 3.11Å |
| 14 | E | 59.6 | Low | 58.1 | Low | 169 Ų | 169 | 73 Ų | 73 | 79% | 0.79 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.3 | -28.4 | -178.4 | -77.1 | 179.6 | 174.6 | 0 | 0 | 112.3 | L10 | L10-E14 WeakPolarHBondContact O-CG 3.48Å; L10-E14 PolarHBondContact O-N 3.09Å |
| 15 | G | 56.5 | Low | 58.1 | Low | 72 Ų | 72 | 68 Ų | 68 | 74% | 0.742 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -94.8 | -10.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N13 | N13-G15 PolarHBondContact O-N 3.2Å |
| 16 | N | 57.9 | Low | 58.3 | Low | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | trans | -146.2 | 102.2 | -173.2 | -167.8 | -24.2 | 0 | 0 | 0 | 113.2 | L12 N13 G18 V19 R20 F71 | L12-N16 PolarHBondContact O-N 3.43Å; N13-N16 PolarHBondContact O-N 3.36Å; N16-G18 PolarHBondContact O-N 2.89Å; N16-G18 VanDerWaalsContact O-N 3.13Å; N16-G18 PolarHBondContact OD1-N 3.01Å; N16-V19 HydrophobicContact CB-CB 4.27Å; N16-V19 HydrophobicContact CB-CG2 3.66Å; N16-V19 WeakPolarHBondContact O-CB 3.44Å; N16-V19 PolarHBondContact O-N 3Å; N16-R20 PolarHBondContact O-N 3.41Å; N16-F71 PolarHBondContact ND2-O 3.06Å | ||
| 17 | P | 61 | Low | 58.2 | Low | 92 Ų | 92 | 73.4 Ų | 73.4 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.5 | -25 | -179 | 22.4 | -31.2 | 0 | 0 | 0 | 113.5 | R21 | P17-R21 WeakPolarHBondContact O-CG 3.39Å; P17-R21 PolarHBondContact O-N 3.07Å |
| 18 | G | 57.9 | Low | 57.9 | Low | 22 Ų | 22 | 70.1 Ų | 70.1 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N16 F22 | N16-G18 PolarHBondContact O-N 2.89Å; N16-G18 VanDerWaalsContact O-N 3.13Å; N16-G18 PolarHBondContact OD1-N 3.01Å; G18-F22 WeakPolarHBondContact O-CB 3.36Å; G18-F22 PolarHBondContact O-N 3.09Å |
| 19 | V | 59.3 | Low | 57.8 | Low | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 176.9 | -174 | 0 | 0 | 0 | 0 | 110.2 | N13 N16 R21 F22 F23 F71 | N13-V19 VanDerWaalsContact OD1-CG1 3.26Å; N13-V19 WeakPolarHBondContact OD1-CG1 3.44Å; N16-V19 HydrophobicContact CB-CB 4.27Å; N16-V19 HydrophobicContact CB-CG2 3.66Å; N16-V19 WeakPolarHBondContact O-CB 3.44Å; N16-V19 PolarHBondContact O-N 3Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 2.99Å; V19-F22 PolarHBondContact O-N 3.49Å; V19-F23 HydrophobicContact CG1-CD2 3.57Å; V19-F23 HydrophobicContact CG1-CE2 3.67Å; V19-F23 WeakPolarHBondContact O-CD2 3.25Å; V19-F23 PolarHBondContact O-N 3.22Å; V19-F71 HydrophobicContact CB-CB 4.49Å; V19-F71 HydrophobicContact CG2-CB 3.26Å; V19-F71 HydrophobicContact CG2-CG 4.04Å |
| 20 | R | 59.4 | Low | 57.7 | Low | 142 Ų | 142 | 74.8 Ų | 74.8 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | -179.8 | -169.5 | 179.6 | -174.9 | -166.2 | 2.1 | 111.9 | N13 N16 K24 | N13-R20 HydrophobicContact CB-CB 4.18Å; N13-R20 HydrophobicContact CB-CG 4.42Å; N13-R20 WeakPolarHBondContact OD1-CA 3.42Å; N13-R20 PolarHBondContact OD1-N 3.24Å; N13-R20 VanDerWaalsContact OD1-N 3.11Å; N16-R20 PolarHBondContact O-N 3.41Å; R20-K24 WeakPolarHBondContact O-CB 3.25Å; R20-K24 WeakPolarHBondContact O-CG 3.42Å; R20-K24 PolarHBondContact O-N 3.27Å; R20-K24 VanDerWaalsContact O-N 3.16Å |
| 21 | R | 59.9 | Low | 57.6 | Low | 106 Ų | 106 | 75.7 Ų | 75.7 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.8 | -40.6 | 178.7 | -69.8 | 179.9 | 173.2 | 160.6 | -4 | 112.3 | P17 V19 K24 S25 E41 F42 | P17-R21 WeakPolarHBondContact O-CG 3.39Å; P17-R21 PolarHBondContact O-N 3.07Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 2.99Å; R21-K24 PolarHBondContact O-N 3.09Å; R21-S25 PolarHBondContact O-N 3.12Å; R21-E41 IonicContact CZ-OE1 3.19Å; R21-E41 IonicContact NE-OE1 2.82Å; R21-E41 PolarHBondContact NE-OE1 3.04Å; R21-E41 VanDerWaalsContact NH1-CG 3.29Å; R21-E41 PolarHBondContact NH1-O 3.21Å; R21-E41 VanDerWaalsContact NH1-O 3.12Å; R21-E41 IonicContact NH1-OE1 3.99Å; R21-E41 IonicContact NH2-OE1 2.74Å; R21-E41 PolarHBondContact NH2-OE1 3.34Å; R21-F42 HydrophobicContact CB-CE1 3.59Å; R21-F42 HydrophobicContact CB-CE2 4.27Å; R21-F42 HydrophobicContact CB-CZ 3.29Å; R21-F42 HydrophobicContact CG-CZ 4.38Å |
| 22 | F | 61.5 | Low | 57.4 | Low | 5 Ų | 5 | 71.8 Ų | 71.8 | 2% | 0.022 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 175.8 | 178.4 | -107.2 | 0 | 0 | 0 | 111.5 | G18 V19 K24 S25 V26 F34 F48 F71 | G18-F22 WeakPolarHBondContact O-CB 3.36Å; G18-F22 PolarHBondContact O-N 3.09Å; V19-F22 PolarHBondContact O-N 3.49Å; F22-K24 VanDerWaalsContact C-N 3.34Å; F22-K24 PolarHBondContact O-N 3.01Å; F22-S25 PolarHBondContact O-N 3.32Å; F22-V26 HydrophobicContact CD1-CG2 4.29Å; F22-V26 HydrophobicContact CD2-CG2 3.97Å; F22-V26 HydrophobicContact CE1-CG2 3.97Å; F22-V26 HydrophobicContact CE2-CG2 3.61Å; F22-V26 HydrophobicContact CG-CG2 4.32Å; F22-V26 HydrophobicContact CZ-CG2 3.63Å; F22-V26 WeakPolarHBondContact O-CB 3.48Å; F22-V26 VanDerWaalsContact O-CG2 3.25Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.03Å; F22-F34 HydrophobicContact CD2-CE2 4.11Å; F22-F34 AromaticContact CD2-CZ 3.71Å; F22-F34 HydrophobicContact CD2-CZ 3.71Å; F22-F34 HydrophobicContact CE2-CE2 4.35Å; F22-F34 AromaticContact CE2-CZ 3.79Å; F22-F34 HydrophobicContact CE2-CZ 3.79Å; F22-F48 HydrophobicContact CD2-CB 4.29Å; F22-F48 AromaticContact CD2-CD1 3.49Å; F22-F48 HydrophobicContact CD2-CD1 3.49Å; F22-F48 VanDerWaalsContact CD2-CD1 3.49Å; F22-F48 HydrophobicContact CD2-CE1 4.26Å; F22-F48 HydrophobicContact CD2-CG 4.28Å; F22-F48 HydrophobicContact CE2-CB 3.91Å; F22-F48 AromaticContact CE2-CD1 3.91Å; F22-F48 HydrophobicContact CE2-CD1 3.91Å; F22-F48 HydrophobicContact CE2-CG 4.38Å; F22-F48 HydrophobicContact CG-CD1 4.37Å; F22-F71 HydrophobicContact CB-CZ 4.35Å; F22-F71 HydrophobicContact CD1-CD2 4.28Å; F22-F71 AromaticContact CD1-CE2 3.5Å; F22-F71 HydrophobicContact CD1-CE2 3.5Å; F22-F71 VanDerWaalsContact CD1-CE2 3.5Å; F22-F71 AromaticContact CD1-CZ 3.93Å; F22-F71 HydrophobicContact CD1-CZ 3.93Å; F22-F71 HydrophobicContact CD2-CE2 4.41Å; F22-F71 HydrophobicContact CD2-CZ 4.04Å; F22-F71 AromaticContact CE1-CE2 3.66Å; F22-F71 HydrophobicContact CE1-CE2 3.66Å; F22-F71 HydrophobicContact CE1-CZ 4.2Å; F22-F71 HydrophobicContact CE2-CZ 4.32Å; F22-F71 AromaticContact CG-CE2 3.89Å; F22-F71 HydrophobicContact CG-CE2 3.89Å; F22-F71 AromaticContact CG-CZ 3.83Å; F22-F71 HydrophobicContact CG-CZ 3.83Å; F22-F71 HydrophobicContact CZ-CE2 4.19Å; F22-F71 HydrophobicContact CZ-CZ 4.37Å |
| 23 | F | 62.1 | Low | 57.2 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 179.5 | -86.1 | -82.3 | 0 | 0 | 0 | 112.8 | V9 V19 Q27 Q67 | V9-F23 HydrophobicContact CG1-CD1 4.33Å; V9-F23 HydrophobicContact CG1-CD2 4.38Å; V9-F23 HydrophobicContact CG1-CG 4.22Å; V9-F23 HydrophobicContact CG2-CE1 4.25Å; V9-F23 HydrophobicContact CG2-CZ 4.27Å; V19-F23 HydrophobicContact CG1-CD2 3.57Å; V19-F23 HydrophobicContact CG1-CE2 3.67Å; V19-F23 WeakPolarHBondContact O-CD2 3.25Å; V19-F23 PolarHBondContact O-N 3.22Å; F23-Q27 WeakPolarHBondContact O-CB 3.47Å; F23-Q27 VanDerWaalsContact O-CG 3.32Å; F23-Q27 WeakPolarHBondContact O-CG 3.39Å; F23-Q27 PolarHBondContact O-N 3.07Å; F23-Q67 HydrophobicContact CZ-CB 3.99Å |
| 24 | K | 59.5 | Low | 57 | Low | 141 Ų | 141 | 74.7 Ų | 74.7 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 174.7 | -83.8 | -173 | 179.3 | -167 | 0 | 112.8 | R20 R21 F22 | R20-K24 WeakPolarHBondContact O-CB 3.25Å; R20-K24 WeakPolarHBondContact O-CG 3.42Å; R20-K24 PolarHBondContact O-N 3.27Å; R20-K24 VanDerWaalsContact O-N 3.16Å; R21-K24 PolarHBondContact O-N 3.09Å; F22-K24 VanDerWaalsContact C-N 3.34Å; F22-K24 PolarHBondContact O-N 3.01Å |
| 25 | S | 52.8 | Low | 57 | Low | 8 Ų | 8 | 71.3 Ų | 71.3 | 6% | 0.056 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -79.4 | -31.7 | -175.5 | -170.5 | 0 | 0 | 0 | 0 | 112 | R21 F22 Q27 Q29 F34 E37 | R21-S25 PolarHBondContact O-N 3.12Å; F22-S25 PolarHBondContact O-N 3.32Å; S25-Q27 VanDerWaalsContact C-N 3.33Å; S25-Q27 PolarHBondContact O-N 3.36Å; S25-Q29 PolarHBondContact OG-OE1 3.36Å; S25-F34 WeakPolarHBondContact OG-CD2 3.36Å; S25-E37 PolarHBondContact OG-OE2 3.38Å |
| 26 | V | 59 | Low | 57.1 | Low | 78 Ų | 78 | 75.5 Ų | 75.5 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -29.2 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 112.9 | F22 G28 F34 | F22-V26 HydrophobicContact CD1-CG2 4.29Å; F22-V26 HydrophobicContact CD2-CG2 3.97Å; F22-V26 HydrophobicContact CE1-CG2 3.97Å; F22-V26 HydrophobicContact CE2-CG2 3.61Å; F22-V26 HydrophobicContact CG-CG2 4.32Å; F22-V26 HydrophobicContact CZ-CG2 3.63Å; F22-V26 WeakPolarHBondContact O-CB 3.48Å; F22-V26 VanDerWaalsContact O-CG2 3.25Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.03Å; V26-G28 PolarHBondContact O-N 3.5Å; V26-G28 VanDerWaalsContact O-N 3.1Å; V26-F34 HydrophobicContact CG2-CE2 4.19Å |
| 27 | Q | 53.6 | Low | 57.1 | Low | 159 Ų | 159 | 77.1 Ų | 77.1 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 3.6 | -175.7 | -82.1 | -172.9 | -31.1 | 0 | 0 | 115.6 | F23 S25 | F23-Q27 WeakPolarHBondContact O-CB 3.47Å; F23-Q27 VanDerWaalsContact O-CG 3.32Å; F23-Q27 WeakPolarHBondContact O-CG 3.39Å; F23-Q27 PolarHBondContact O-N 3.07Å; S25-Q27 VanDerWaalsContact C-N 3.33Å; S25-Q27 PolarHBondContact O-N 3.36Å |
| 28 | G | 50.8 | Low | 56.9 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -165.8 | 13.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 119 | V26 | V26-G28 PolarHBondContact O-N 3.5Å; V26-G28 VanDerWaalsContact O-N 3.1Å |
| 29 | Q | 52.8 | Low | 56.9 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 36% | 0.36 | 39% | 0.391 | S | S | . | . | trans | -134.1 | 145.9 | -168.3 | -61.1 | -174.2 | -0.8 | 0 | 0 | 115.1 | S25 H33 E37 | S25-Q29 PolarHBondContact OG-OE1 3.36Å; Q29-H33 HydrophobicContact CB-CB 4.4Å; Q29-H33 PolarHBondContact NE2-ND1 3.33Å; Q29-H33 PolarHBondContact OE1-ND1 3.1Å; Q29-E37 PolarHBondContact NE2-OE1 3.09Å; Q29-E37 PolarHBondContact OE1-OE1 3.01Å; Q29-E37 PolarHBondContact OE1-OE2 3.19Å | ||
| 30 | S | 53.4 | Low | 56.9 | Low | 82 Ų | 82 | 85.5 Ų | 85.5 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | trans | -66 | 146.7 | 170.6 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | S32 H33 F34 | S30-S32 PolarHBondContact O-N 2.76Å; S30-H33 PolarHBondContact O-N 2.76Å; S30-F34 PolarHBondContact O-N 2.99Å | ||
| 31 | N | 56 | Low | 56.8 | Low | 102 Ų | 102 | 83.4 Ų | 83.4 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -48.6 | -34.7 | -178.1 | -66.9 | -33.6 | 0 | 0 | 0 | 113.6 | E35 | N31-E35 PolarHBondContact O-N 2.73Å; N31-E35 VanDerWaalsContact O-N 3.16Å |
| 32 | S | 54.1 | Low | 56.7 | Low | 77 Ų | 77 | 79.1 Ų | 79.1 | 54% | 0.538 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.9 | -28.3 | -178.4 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | S30 | S30-S32 PolarHBondContact O-N 2.76Å |
| 33 | H | 55.4 | Low | 56.8 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.9 | -40.7 | 176.2 | -165.7 | -88.2 | 0 | 0 | 0 | 110.4 | Q29 S30 E35 K36 E37 | Q29-H33 HydrophobicContact CB-CB 4.4Å; Q29-H33 PolarHBondContact NE2-ND1 3.33Å; Q29-H33 PolarHBondContact OE1-ND1 3.1Å; S30-H33 PolarHBondContact O-N 2.76Å; H33-E35 PolarHBondContact O-N 3.36Å; H33-K36 PolarHBondContact O-N 3.2Å; H33-K36 VanDerWaalsContact O-N 3.1Å; H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.34Å; H33-E37 IonicContact ND1-OE1 3.22Å; H33-E37 PolarHBondContact ND1-OE1 3.34Å; H33-E37 PolarHBondContact O-N 2.95Å; H33-E37 VanDerWaalsContact O-N 3.17Å |
| 34 | F | 55.1 | Low | 56.8 | Low | 12 Ų | 12 | 86.6 Ų | 86.6 | 5% | 0.053 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.3 | -175.7 | -92.8 | 0 | 0 | 0 | 112.3 | F22 S25 V26 S30 K36 E37 T38 F48 V114 | F22-F34 HydrophobicContact CD2-CE2 4.11Å; F22-F34 AromaticContact CD2-CZ 3.71Å; F22-F34 HydrophobicContact CD2-CZ 3.71Å; F22-F34 HydrophobicContact CE2-CE2 4.35Å; F22-F34 AromaticContact CE2-CZ 3.79Å; F22-F34 HydrophobicContact CE2-CZ 3.79Å; S25-F34 WeakPolarHBondContact OG-CD2 3.36Å; V26-F34 HydrophobicContact CG2-CE2 4.19Å; S30-F34 PolarHBondContact O-N 2.99Å; F34-K36 PolarHBondContact O-N 3.02Å; F34-E37 PolarHBondContact O-N 2.64Å; F34-T38 HydrophobicContact CD1-CG2 3.62Å; F34-T38 HydrophobicContact CD2-CG2 4.27Å; F34-T38 HydrophobicContact CE1-CG2 3.3Å; F34-T38 HydrophobicContact CE2-CG2 3.94Å; F34-T38 HydrophobicContact CG-CG2 4.09Å; F34-T38 HydrophobicContact CZ-CG2 3.43Å; F34-T38 VanDerWaalsContact CZ-CG2 3.43Å; F34-T38 WeakPolarHBondContact O-CB 3.24Å; F34-T38 WeakPolarHBondContact O-CG2 3.47Å; F34-T38 PolarHBondContact O-N 3.15Å; F34-T38 PolarHBondContact O-OG1 3.4Å; F34-F48 HydrophobicContact CE1-CB 3.47Å; F34-F48 VanDerWaalsContact CE1-CB 3.47Å; F34-F48 HydrophobicContact CE1-CD2 4.42Å; F34-F48 HydrophobicContact CE1-CG 4.01Å; F34-F48 HydrophobicContact CZ-CB 3.68Å; F34-F48 HydrophobicContact CZ-CD1 4.25Å; F34-F48 AromaticContact CZ-CG 3.93Å; F34-F48 HydrophobicContact CZ-CG 3.93Å; F34-V114 HydrophobicContact CD1-CB 4.19Å; F34-V114 HydrophobicContact CD1-CG1 3.45Å; F34-V114 VanDerWaalsContact CD1-CG1 3.45Å; F34-V114 HydrophobicContact CD1-CG2 3.63Å; F34-V114 HydrophobicContact CE1-CB 4.36Å; F34-V114 HydrophobicContact CE1-CG1 3.79Å; F34-V114 HydrophobicContact CE1-CG2 3.67Å |
| 35 | E | 58.5 | Low | 57.3 | Low | 99 Ų | 99 | 84.1 Ų | 84.1 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59 | -33.2 | 175.2 | -79.5 | -178.4 | 172.9 | 0 | 0 | 113.3 | N31 H33 T38 V114 | N31-E35 PolarHBondContact O-N 2.73Å; N31-E35 VanDerWaalsContact O-N 3.16Å; H33-E35 PolarHBondContact O-N 3.36Å; E35-T38 WeakPolarHBondContact CA-OG1 3.13Å; E35-T38 PolarHBondContact O-OG1 3.18Å; E35-V114 HydrophobicContact CG-CB 3.76Å; E35-V114 HydrophobicContact CG-CG1 4.3Å; E35-V114 HydrophobicContact CG-CG2 3.62Å |
| 36 | K | 59.7 | Low | 58.5 | Low | 160 Ų | 160 | 84.7 Ų | 84.7 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75.1 | -47.6 | 178 | -68.7 | -177.4 | -180 | -178.5 | 0 | 111.8 | H33 F34 T38 N39 | H33-K36 PolarHBondContact O-N 3.2Å; H33-K36 VanDerWaalsContact O-N 3.1Å; F34-K36 PolarHBondContact O-N 3.02Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 3.5Å; K36-N39 PolarHBondContact O-N 3.03Å |
| 37 | E | 57.8 | Low | 59.7 | Low | 63 Ų | 63 | 82.8 Ų | 82.8 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.6 | -67.6 | -175.5 | 171.7 | 0 | 0 | 111.8 | S25 Q29 H33 F34 N39 E40 E41 | S25-E37 PolarHBondContact OG-OE2 3.38Å; Q29-E37 PolarHBondContact NE2-OE1 3.09Å; Q29-E37 PolarHBondContact OE1-OE1 3.01Å; Q29-E37 PolarHBondContact OE1-OE2 3.19Å; H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.34Å; H33-E37 IonicContact ND1-OE1 3.22Å; H33-E37 PolarHBondContact ND1-OE1 3.34Å; H33-E37 PolarHBondContact O-N 2.95Å; H33-E37 VanDerWaalsContact O-N 3.17Å; F34-E37 PolarHBondContact O-N 2.64Å; E37-N39 VanDerWaalsContact C-N 3.27Å; E37-N39 PolarHBondContact O-N 3.36Å; E37-E40 PolarHBondContact O-N 2.86Å; E37-E41 PolarHBondContact O-N 3.42Å |
| 38 | T | 56.5 | Low | 61.2 | Low | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -21.9 | -178.2 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | F34 E35 K36 F42 F48 R113 | F34-T38 HydrophobicContact CD1-CG2 3.62Å; F34-T38 HydrophobicContact CD2-CG2 4.27Å; F34-T38 HydrophobicContact CE1-CG2 3.3Å; F34-T38 HydrophobicContact CE2-CG2 3.94Å; F34-T38 HydrophobicContact CG-CG2 4.09Å; F34-T38 HydrophobicContact CZ-CG2 3.43Å; F34-T38 VanDerWaalsContact CZ-CG2 3.43Å; F34-T38 WeakPolarHBondContact O-CB 3.24Å; F34-T38 WeakPolarHBondContact O-CG2 3.47Å; F34-T38 PolarHBondContact O-N 3.15Å; F34-T38 PolarHBondContact O-OG1 3.4Å; E35-T38 WeakPolarHBondContact CA-OG1 3.13Å; E35-T38 PolarHBondContact O-OG1 3.18Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 3.5Å; T38-F42 HydrophobicContact CG2-CD2 4.3Å; T38-F42 HydrophobicContact CG2-CE2 4.3Å; T38-F48 HydrophobicContact CG2-CD2 4.01Å; T38-F48 HydrophobicContact CG2-CE2 4.24Å; T38-F48 HydrophobicContact CG2-CG 4.5Å; T38-R113 PolarHBondContact O-NH2 3.34Å; T38-R113 VanDerWaalsContact O-NH2 3.09Å |
| 39 | N | 57.5 | Low | 63.1 | Low | 105 Ų | 105 | 72.7 Ų | 72.7 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -82.3 | -26.6 | -178 | -139.8 | 3.5 | 0 | 0 | 0 | 112.4 | K36 E37 R113 | K36-N39 PolarHBondContact O-N 3.03Å; E37-N39 VanDerWaalsContact C-N 3.27Å; E37-N39 PolarHBondContact O-N 3.36Å; N39-R113 PolarHBondContact OD1-NH1 2.82Å |
| 40 | E | 58.5 | Low | 64.8 | Low | 185 Ų | 185 | 70.3 Ų | 70.3 | 86% | 0.864 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -92.8 | -29.6 | 179.4 | -64.5 | -165.5 | 161.3 | 0 | 0 | 113 | E37 | E37-E40 PolarHBondContact O-N 2.86Å |
| 41 | E | 58.8 | Low | 66.6 | Low | 98 Ų | 98 | 67.4 Ų | 67.4 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -114.3 | -4.7 | -165.9 | -164.7 | 159.8 | -167.6 | 0 | 0 | 115.5 | R21 E37 | R21-E41 IonicContact CZ-OE1 3.19Å; R21-E41 IonicContact NE-OE1 2.82Å; R21-E41 PolarHBondContact NE-OE1 3.04Å; R21-E41 VanDerWaalsContact NH1-CG 3.29Å; R21-E41 PolarHBondContact NH1-O 3.21Å; R21-E41 VanDerWaalsContact NH1-O 3.12Å; R21-E41 IonicContact NH1-OE1 3.99Å; R21-E41 IonicContact NH2-OE1 2.74Å; R21-E41 PolarHBondContact NH2-OE1 3.34Å; E37-E41 PolarHBondContact O-N 3.42Å |
| 42 | F | 57.1 | Low | 68.3 | Low | 17 Ų | 17 | 65.3 Ų | 65.3 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -129.4 | 145.7 | -175.1 | -63.3 | -99.8 | 0 | 0 | 0 | 113.7 | R21 T38 N44 F48 | R21-F42 HydrophobicContact CB-CE1 3.59Å; R21-F42 HydrophobicContact CB-CE2 4.27Å; R21-F42 HydrophobicContact CB-CZ 3.29Å; R21-F42 HydrophobicContact CG-CZ 4.38Å; T38-F42 HydrophobicContact CG2-CD2 4.3Å; T38-F42 HydrophobicContact CG2-CE2 4.3Å; F42-N44 PolarHBondContact O-N 3.38Å; F42-F48 HydrophobicContact CB-CE2 3.98Å; F42-F48 HydrophobicContact CB-CZ 3.68Å; F42-F48 AromaticContact CD1-CE1 3.89Å; F42-F48 HydrophobicContact CD1-CE1 3.89Å; F42-F48 HydrophobicContact CD1-CE2 4.45Å; F42-F48 AromaticContact CD1-CZ 3.48Å; F42-F48 HydrophobicContact CD1-CZ 3.48Å; F42-F48 VanDerWaalsContact CD1-CZ 3.48Å; F42-F48 HydrophobicContact CE1-CE1 4.1Å; F42-F48 HydrophobicContact CE1-CZ 4.12Å; F42-F48 HydrophobicContact CG-CE1 4.44Å; F42-F48 HydrophobicContact CG-CE2 4.22Å; F42-F48 AromaticContact CG-CZ 3.66Å; F42-F48 HydrophobicContact CG-CZ 3.66Å |
| 43 | P | 64.1 | Low | 69.8 | Low | 67 Ų | 67 | 65.7 Ų | 65.7 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | trans | -55.7 | 133.9 | 176.2 | 12.6 | -18.5 | 0 | 0 | 0 | 111.4 | S45 D46 | P43-S45 PolarHBondContact O-N 3.01Å; P43-D46 PolarHBondContact O-N 3.46Å | ||
| 44 | N | 62.2 | Low | 70.9 | Confident | 125 Ų | 125 | 62.3 Ų | 62.3 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -12.2 | -172.7 | -71.3 | -30.8 | 0 | 0 | 0 | 115.1 | F42 | F42-N44 PolarHBondContact O-N 3.38Š|
| 45 | S | 69.2 | Low | 71.1 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -15.6 | -176.4 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | P43 | P43-S45 PolarHBondContact O-N 3.01Š|
| 46 | D | 77.6 | Confident | 71.1 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | trans | -85.3 | 137.9 | -177.3 | -80 | -45.8 | 0 | 0 | 0 | 111.6 | P43 F48 R76 | P43-D46 PolarHBondContact O-N 3.46Å; D46-F48 HydrophobicContact CB-CE1 4.42Å; D46-F48 HydrophobicContact CB-CE2 4.28Å; D46-F48 HydrophobicContact CB-CZ 3.91Å; D46-R76 IonicContact OD1-CZ 2.66Å; D46-R76 IonicContact OD1-NH1 2.72Å; D46-R76 PolarHBondContact OD1-NH1 2.85Å; D46-R76 IonicContact OD1-NH2 3.7Å; D46-R76 PolarHBondContact OD1-NH2 2.84Å | ||
| 47 | H | 84.8 | Confident | 71.4 | Confident | 37 Ų | 37 | 63 Ų | 63 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | trans | -101.5 | 131.5 | 176.3 | -65.7 | 79.4 | 0 | 0 | 0 | 109.5 | F49 I107 S108 Q110 K112 | H47-F49 HydrophobicContact CB-CD2 3.96Å; H47-F49 HydrophobicContact CB-CE2 3.97Å; H47-I107 HydrophobicContact CB-CG2 4.31Å; H47-I107 WeakPolarHBondContact CB-O 3.48Å; H47-S108 PolarHBondContact CE1-O 3.4Å; H47-Q110 PolarHBondContact CD2-O 2.9Å; H47-Q110 PolarHBondContact NE2-O 2.85Å; H47-K112 PolarHBondContact CD2-O 3.21Å | ||
| 48 | F | 86.3 | Confident | 72.5 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 88.8 | -173.2 | -62.4 | -70.7 | 0 | 0 | 0 | 110.3 | F22 F34 T38 F42 D46 F71 R113 V114 G115 | F22-F48 HydrophobicContact CD2-CB 4.29Å; F22-F48 AromaticContact CD2-CD1 3.49Å; F22-F48 HydrophobicContact CD2-CD1 3.49Å; F22-F48 VanDerWaalsContact CD2-CD1 3.49Å; F22-F48 HydrophobicContact CD2-CE1 4.26Å; F22-F48 HydrophobicContact CD2-CG 4.28Å; F22-F48 HydrophobicContact CE2-CB 3.91Å; F22-F48 AromaticContact CE2-CD1 3.91Å; F22-F48 HydrophobicContact CE2-CD1 3.91Å; F22-F48 HydrophobicContact CE2-CG 4.38Å; F22-F48 HydrophobicContact CG-CD1 4.37Å; F34-F48 HydrophobicContact CE1-CB 3.47Å; F34-F48 VanDerWaalsContact CE1-CB 3.47Å; F34-F48 HydrophobicContact CE1-CD2 4.42Å; F34-F48 HydrophobicContact CE1-CG 4.01Å; F34-F48 HydrophobicContact CZ-CB 3.68Å; F34-F48 HydrophobicContact CZ-CD1 4.25Å; F34-F48 AromaticContact CZ-CG 3.93Å; F34-F48 HydrophobicContact CZ-CG 3.93Å; T38-F48 HydrophobicContact CG2-CD2 4.01Å; T38-F48 HydrophobicContact CG2-CE2 4.24Å; T38-F48 HydrophobicContact CG2-CG 4.5Å; F42-F48 HydrophobicContact CB-CE2 3.98Å; F42-F48 HydrophobicContact CB-CZ 3.68Å; F42-F48 AromaticContact CD1-CE1 3.89Å; F42-F48 HydrophobicContact CD1-CE1 3.89Å; F42-F48 HydrophobicContact CD1-CE2 4.45Å; F42-F48 AromaticContact CD1-CZ 3.48Å; F42-F48 HydrophobicContact CD1-CZ 3.48Å; F42-F48 VanDerWaalsContact CD1-CZ 3.48Å; F42-F48 HydrophobicContact CE1-CE1 4.1Å; F42-F48 HydrophobicContact CE1-CZ 4.12Å; F42-F48 HydrophobicContact CG-CE1 4.44Å; F42-F48 HydrophobicContact CG-CE2 4.22Å; F42-F48 AromaticContact CG-CZ 3.66Å; F42-F48 HydrophobicContact CG-CZ 3.66Å; D46-F48 HydrophobicContact CB-CE1 4.42Å; D46-F48 HydrophobicContact CB-CE2 4.28Å; D46-F48 HydrophobicContact CB-CZ 3.91Å; F48-F71 HydrophobicContact CD1-CE1 4.15Å; F48-F71 AromaticContact CD1-CZ 3.94Å; F48-F71 HydrophobicContact CD1-CZ 3.94Å; F48-F71 AromaticContact CE1-CE1 3.99Å; F48-F71 HydrophobicContact CE1-CE1 3.99Å; F48-F71 HydrophobicContact CE1-CZ 4.23Å; F48-R113 PolarHBondContact N-O 3.44Å; F48-V114 HydrophobicContact CB-CG2 4.45Å; F48-V114 WeakPolarHBondContact O-CA 3.49Å; F48-G115 PolarHBondContact O-N 2.93Å |
| 49 | F | 90.4 | Very high | 74.1 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.9 | -177.2 | -79.1 | -103 | 0 | 0 | 0 | 111.2 | H47 Q67 I107 Q110 K112 G115 I117 | H47-F49 HydrophobicContact CB-CD2 3.96Å; H47-F49 HydrophobicContact CB-CE2 3.97Å; F49-Q67 PolarHBondContact O-NE2 3.2Å; F49-I107 HydrophobicContact CB-CG1 4.44Å; F49-I107 HydrophobicContact CB-CG2 4.06Å; F49-I107 HydrophobicContact CD2-CG2 4.09Å; F49-I107 HydrophobicContact CG-CG2 4.33Å; F49-Q110 HydrophobicContact CD1-CG 4.27Å; F49-Q110 HydrophobicContact CD2-CB 4.5Å; F49-Q110 HydrophobicContact CD2-CG 4.34Å; F49-Q110 HydrophobicContact CE1-CB 4.05Å; F49-Q110 HydrophobicContact CE1-CG 3.63Å; F49-Q110 HydrophobicContact CE2-CB 3.52Å; F49-Q110 HydrophobicContact CE2-CG 3.74Å; F49-Q110 HydrophobicContact CZ-CB 3.25Å; F49-Q110 HydrophobicContact CZ-CG 3.36Å; F49-K112 WeakPolarHBondContact CE2-O 3.24Å; F49-K112 HydrophobicContact CZ-CB 4.36Å; F49-K112 VanDerWaalsContact CZ-O 3.22Å; F49-K112 WeakPolarHBondContact CZ-O 3.29Å; F49-G115 CarbonylContact C-O 3.56Å; F49-G115 VanDerWaalsContact CA-O 3.31Å; F49-G115 WeakPolarHBondContact CA-O 3.46Å; F49-G115 VanDerWaalsContact CD1-C 3.49Å; F49-I117 HydrophobicContact CB-CD1 4.06Å; F49-I117 HydrophobicContact CD1-CD1 3.54Å; F49-I117 HydrophobicContact CD1-CG1 3.72Å; F49-I117 HydrophobicContact CE1-CD1 4.23Å; F49-I117 HydrophobicContact CE1-CG1 4.41Å; F49-I117 HydrophobicContact CG-CD1 3.87Å; F49-I117 HydrophobicContact CG-CG1 4.43Å |
| 50 | G | 88.7 | Confident | 75.6 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 147 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G115 T116 I117 | G50-G115 PolarHBondContact N-O 2.96Å; G50-T116 CarbonylContact O-C 3.49Å; G50-T116 WeakPolarHBondContact O-CA 3.32Å; G50-I117 PolarHBondContact O-N 3.11Å |
| 51 | L | 91.4 | Very high | 77.1 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.9 | 171.4 | -65.2 | 174.3 | 0 | 0 | 0 | 109.1 | N63 I66 Q67 L103 I117 P119 | L51-N63 HydrophobicContact CB-CB 4.03Å; L51-N63 HydrophobicContact CD1-CB 4.45Å; L51-N63 PolarHBondContact O-ND2 2.91Å; L51-I66 HydrophobicContact CD1-CB 3.8Å; L51-I66 HydrophobicContact CD1-CD1 4.36Å; L51-I66 HydrophobicContact CD1-CG2 3.51Å; L51-Q67 HydrophobicContact CD1-CG 4.39Å; L51-L103 HydrophobicContact CD2-CD1 4.12Å; L51-I117 WeakPolarHBondContact CA-O 3.48Å; L51-I117 HydrophobicContact CD2-CB 4.34Å; L51-I117 HydrophobicContact CD2-CG2 4.44Å; L51-P119 HydrophobicContact CB-CG 4.48Å; L51-P119 HydrophobicContact CD2-CB 4.45Å; L51-P119 HydrophobicContact CD2-CG 4.43Å |
| 52 | V | 89.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 145.7 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | V54 N63 T116 I117 A118 P119 | V52-V54 PolarHBondContact O-N 3.07Å; V52-N63 PolarHBondContact O-ND2 3.41Å; V52-T116 HydrophobicContact CG1-CG2 4.49Å; V52-I117 PolarHBondContact N-O 3.18Å; V52-A118 HydrophobicContact CG2-CB 3.32Å; V52-P119 WeakPolarHBondContact O-CD 3.09Å |
| 53 | N | 86.2 | Confident | 80.4 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 131.4 | 171 | -67.6 | -34.7 | 0 | 0 | 0 | 109.2 | T59 N63 | N53-T59 WeakPolarHBondContact CA-OG1 3.4Å; N53-T59 PolarHBondContact OD1-OG1 3.37Å; N53-N63 PolarHBondContact OD1-ND2 3.44Å |
| 54 | V | 79.2 | Confident | 81.7 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -75 | 151.8 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | V52 F56 G57 T59 P119 K120 V123 | V52-V54 PolarHBondContact O-N 3.07Å; V54-F56 PolarHBondContact O-N 3.28Å; V54-G57 PolarHBondContact O-N 3Å; V54-T59 PolarHBondContact N-OG1 3.1Å; V54-P119 HydrophobicContact CG2-CG 4.02Å; V54-K120 HydrophobicContact CG1-CG 4.23Å; V54-K120 HydrophobicContact CG2-CG 4.33Å; V54-V123 HydrophobicContact CB-CB 4.43Å; V54-V123 HydrophobicContact CB-CG1 4.27Å; V54-V123 HydrophobicContact CB-CG2 4.41Å; V54-V123 HydrophobicContact CG1-CG1 4.42Å; V54-V123 HydrophobicContact CG2-CB 4.11Å; V54-V123 HydrophobicContact CG2-CG1 4.48Å; V54-V123 HydrophobicContact CG2-CG2 3.8Å |
| 55 | S | 59.3 | Low | 83.2 | Confident | 94 Ų | 94 | 40.1 Ų | 40.1 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 130.6 | -173 | -61 | 0 | 0 | 0 | 0 | 112.5 | ||
| 56 | F | 59.2 | Low | 84.5 | Confident | 155 Ų | 155 | 35.9 Ų | 35.9 | 68% | 0.68 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 4.2 | -171.5 | -58.3 | -80.1 | 0 | 0 | 0 | 118.6 | V54 Y136 | V54-F56 PolarHBondContact O-N 3.28Å; F56-Y136 HydrophobicContact CB-CD1 3.26Å; F56-Y136 HydrophobicContact CB-CE1 3.17Å; F56-Y136 HydrophobicContact CB-CG 4.44Å; F56-Y136 HydrophobicContact CD1-CD1 4.37Å; F56-Y136 AromaticContact CD1-CE1 3.83Å; F56-Y136 HydrophobicContact CD1-CE1 3.83Å; F56-Y136 AromaticContact CD2-CE1 3.59Å; F56-Y136 HydrophobicContact CD2-CE1 3.59Å; F56-Y136 HydrophobicContact CE2-CE1 4.4Å; F56-Y136 AromaticContact CG-CD1 3.87Å; F56-Y136 HydrophobicContact CG-CD1 3.87Å; F56-Y136 AromaticContact CG-CE1 3.26Å; F56-Y136 HydrophobicContact CG-CE1 3.26Å; F56-Y136 AromaticContact CG-CZ 3.99Å |
| 57 | G | 65.2 | Low | 85.1 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 72.4 | 177.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V54 T59 | V54-G57 PolarHBondContact O-N 3Å; G57-T59 VanDerWaalsContact C-N 3.29Å; G57-T59 PolarHBondContact O-N 3.4Å |
| 58 | N | 81.7 | Confident | 85.5 | Confident | 60 Ų | 60 | 34 Ų | 34 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | trans | 65.5 | 13.5 | 178.4 | -59 | -26.6 | 0 | 0 | 0 | 117.5 | C60 Y61 Y136 Q138 | N58-C60 VanDerWaalsContact C-N 3.25Å; N58-C60 PolarHBondContact O-N 2.78Å; N58-Y61 WeakPolarHBondContact O-CD1 3.38Å; N58-Y61 WeakPolarHBondContact O-CE1 3.33Å; N58-Y136 PolarHBondContact ND2-O 2.91Å; N58-Q138 HydrophobicContact CB-CG 3.96Å | ||
| 59 | T | 88.3 | Confident | 85.8 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 14.7 | 170.5 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | N53 V54 G57 Y61 C62 N63 V123 | N53-T59 WeakPolarHBondContact CA-OG1 3.4Å; N53-T59 PolarHBondContact OD1-OG1 3.37Å; V54-T59 PolarHBondContact N-OG1 3.1Å; G57-T59 VanDerWaalsContact C-N 3.29Å; G57-T59 PolarHBondContact O-N 3.4Å; T59-Y61 VanDerWaalsContact C-N 3.33Å; T59-Y61 PolarHBondContact O-N 3.17Å; T59-C62 WeakPolarHBondContact O-CB 3.46Å; T59-C62 PolarHBondContact O-N 2.66Å; T59-N63 PolarHBondContact O-N 3.45Å; T59-V123 HydrophobicContact CG2-CG1 4.21Å |
| 60 | C | 90.6 | Very high | 86 | Confident | 57 Ų | 57 | 33.8 Ų | 33.8 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -34.6 | -177 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | N58 C62 N63 S64 | N58-C60 VanDerWaalsContact C-N 3.25Å; N58-C60 PolarHBondContact O-N 2.78Å; C60-C62 VanDerWaalsContact C-N 3.25Å; C60-C62 PolarHBondContact O-N 3.31Å; C60-N63 PolarHBondContact O-N 3.36Å; C60-S64 WeakPolarHBondContact O-CB 3.27Å; C60-S64 PolarHBondContact O-N 3.27Å; C60-S64 PolarHBondContact O-OG 3.14Å |
| 61 | Y | 90 | Very high | 86.1 | Confident | 17 Ų | 17 | 33 Ų | 33 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 173.4 | 72.6 | -90.3 | 0 | 0 | 0 | 111.6 | N58 T59 S64 V65 F133 Q139 F144 | N58-Y61 WeakPolarHBondContact O-CD1 3.38Å; N58-Y61 WeakPolarHBondContact O-CE1 3.33Å; T59-Y61 VanDerWaalsContact C-N 3.33Å; T59-Y61 PolarHBondContact O-N 3.17Å; Y61-S64 PolarHBondContact O-OG 3.25Å; Y61-V65 VanDerWaalsContact O-CG2 3.32Å; Y61-V65 WeakPolarHBondContact O-CG2 3.47Å; Y61-V65 PolarHBondContact O-N 3.08Å; Y61-F133 HydrophobicContact CE2-CD1 4.05Å; Y61-F133 HydrophobicContact CE2-CE1 4.22Å; Y61-Q139 WeakPolarHBondContact CB-O 3.23Å; Y61-Q139 HydrophobicContact CD1-CB 3.73Å; Y61-Q139 HydrophobicContact CD1-CG 4.28Å; Y61-Q139 HydrophobicContact CD2-CB 3.9Å; Y61-Q139 HydrophobicContact CE1-CB 3.58Å; Y61-Q139 HydrophobicContact CE1-CG 3.67Å; Y61-Q139 HydrophobicContact CE2-CB 3.79Å; Y61-Q139 HydrophobicContact CE2-CG 4.33Å; Y61-Q139 HydrophobicContact CG-CB 3.89Å; Y61-F144 HydrophobicContact CD2-CB 3.64Å; Y61-F144 HydrophobicContact CD2-CD1 4.13Å; Y61-F144 AromaticContact CD2-CG 3.87Å; Y61-F144 HydrophobicContact CD2-CG 3.87Å; Y61-F144 HydrophobicContact CE2-CB 3.76Å; Y61-F144 HydrophobicContact CE2-CD1 4.33Å; Y61-F144 HydrophobicContact CE2-CD2 4.09Å; Y61-F144 AromaticContact CE2-CG 3.78Å; Y61-F144 HydrophobicContact CE2-CG 3.78Å |
| 62 | C | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.9 | -46.6 | 179.2 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | T59 C60 S64 V65 I66 F144 | T59-C62 WeakPolarHBondContact O-CB 3.46Å; T59-C62 PolarHBondContact O-N 2.66Å; C60-C62 VanDerWaalsContact C-N 3.25Å; C60-C62 PolarHBondContact O-N 3.31Å; C62-S64 PolarHBondContact O-N 3.1Å; C62-V65 PolarHBondContact O-N 3.05Å; C62-I66 WeakPolarHBondContact O-CB 3.49Å; C62-I66 VanDerWaalsContact O-CG1 3.23Å; C62-I66 WeakPolarHBondContact O-CG1 3.24Å; C62-I66 PolarHBondContact O-N 2.95Å; C62-I66 VanDerWaalsContact SG-CD1 3.53Å; C62-F144 HydrophobicContact CB-CD1 4.36Å; C62-F144 HydrophobicContact CB-CE1 4.06Å; C62-F144 HydrophobicContact CB-CZ 4.25Å; C62-F144 VanDerWaalsContact SG-CZ 3.55Å |
| 63 | N | 92.3 | Very high | 86.1 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 178.5 | -72.6 | -12.4 | 0 | 0 | 0 | 112.3 | L51 V52 N53 T59 C60 I66 Q67 | L51-N63 HydrophobicContact CB-CB 4.03Å; L51-N63 HydrophobicContact CD1-CB 4.45Å; L51-N63 PolarHBondContact O-ND2 2.91Å; V52-N63 PolarHBondContact O-ND2 3.41Å; N53-N63 PolarHBondContact OD1-ND2 3.44Å; T59-N63 PolarHBondContact O-N 3.45Å; C60-N63 PolarHBondContact O-N 3.36Å; N63-I66 PolarHBondContact O-N 3.4Å; N63-Q67 WeakPolarHBondContact O-CG 3.47Å; N63-Q67 PolarHBondContact O-N 2.72Å |
| 64 | S | 91.8 | Very high | 86.4 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 22% | 0.217 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 179.5 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | C60 Y61 C62 Q67 A68 | C60-S64 WeakPolarHBondContact O-CB 3.27Å; C60-S64 PolarHBondContact O-N 3.27Å; C60-S64 PolarHBondContact O-OG 3.14Å; Y61-S64 PolarHBondContact O-OG 3.25Å; C62-S64 PolarHBondContact O-N 3.1Å; S64-Q67 PolarHBondContact O-N 3.04Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 3.46Å |
| 65 | V | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 112 | L8 Y61 C62 Q67 A68 L69 A141 F144 L145 | L8-V65 HydrophobicContact CD2-CG2 4.01Å; Y61-V65 VanDerWaalsContact O-CG2 3.32Å; Y61-V65 WeakPolarHBondContact O-CG2 3.47Å; Y61-V65 PolarHBondContact O-N 3.08Å; C62-V65 PolarHBondContact O-N 3.05Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.41Å; V65-A68 VanDerWaalsContact O-CB 3.23Å; V65-A68 WeakPolarHBondContact O-CB 3.41Å; V65-A68 PolarHBondContact O-N 3.11Å; V65-L69 HydrophobicContact CG1-CD1 3.98Å; V65-L69 HydrophobicContact CG1-CG 4.4Å; V65-L69 WeakPolarHBondContact O-CG 3.41Å; V65-L69 PolarHBondContact O-N 3.04Å; V65-A141 HydrophobicContact CG2-CB 3.89Å; V65-A141 WeakPolarHBondContact CG2-O 3.38Å; V65-F144 HydrophobicContact CB-CD1 3.62Å; V65-F144 HydrophobicContact CB-CE1 3.67Å; V65-F144 HydrophobicContact CG1-CD1 3.68Å; V65-F144 HydrophobicContact CG1-CE1 3.59Å; V65-F144 HydrophobicContact CG2-CD1 3.9Å; V65-F144 HydrophobicContact CG2-CE1 4.46Å; V65-L145 HydrophobicContact CG1-CB 4.03Å; V65-L145 HydrophobicContact CG1-CD1 3.84Å; V65-L145 HydrophobicContact CG2-CB 4.41Å |
| 66 | I | 95.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.1 | -69.4 | 170.3 | 0 | 0 | 0 | 110.9 | L51 C62 N63 L69 Y70 L103 F104 F122 F144 | L51-I66 HydrophobicContact CD1-CB 3.8Å; L51-I66 HydrophobicContact CD1-CD1 4.36Å; L51-I66 HydrophobicContact CD1-CG2 3.51Å; C62-I66 WeakPolarHBondContact O-CB 3.49Å; C62-I66 VanDerWaalsContact O-CG1 3.23Å; C62-I66 WeakPolarHBondContact O-CG1 3.24Å; C62-I66 PolarHBondContact O-N 2.95Å; C62-I66 VanDerWaalsContact SG-CD1 3.53Å; N63-I66 PolarHBondContact O-N 3.4Å; I66-L69 PolarHBondContact O-N 3.35Å; I66-Y70 WeakPolarHBondContact O-CB 3.31Å; I66-Y70 PolarHBondContact O-N 3.33Å; I66-L103 HydrophobicContact CD1-CD2 4.1Å; I66-L103 HydrophobicContact CG2-CD2 3.86Å; I66-F104 HydrophobicContact CG2-CE1 4.03Å; I66-F122 HydrophobicContact CD1-CD1 3.73Å; I66-F122 HydrophobicContact CD1-CE1 3.67Å; I66-F122 HydrophobicContact CD1-CG 4.46Å; I66-F122 HydrophobicContact CD1-CZ 4.33Å; I66-F122 HydrophobicContact CG1-CE1 4.41Å; I66-F144 HydrophobicContact CG1-CE1 4.44Å |
| 67 | Q | 91.5 | Very high | 90.6 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.1 | -71.3 | -69.8 | -9.4 | 0 | 0 | 110.9 | F23 F49 L51 N63 S64 V65 L69 Y70 F71 | F23-Q67 HydrophobicContact CZ-CB 3.99Å; F49-Q67 PolarHBondContact O-NE2 3.2Å; L51-Q67 HydrophobicContact CD1-CG 4.39Å; N63-Q67 WeakPolarHBondContact O-CG 3.47Å; N63-Q67 PolarHBondContact O-N 2.72Å; S64-Q67 PolarHBondContact O-N 3.04Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.41Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 2.92Å; Q67-Y70 PolarHBondContact O-N 3Å; Q67-F71 VanDerWaalsContact O-CD2 3.28Å; Q67-F71 WeakPolarHBondContact O-CD2 3.4Å; Q67-F71 PolarHBondContact O-N 2.87Å; Q67-F71 VanDerWaalsContact O-N 3.14Å |
| 68 | A | 92 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -49.4 | -51.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 S64 V65 C72 | L12-A68 HydrophobicContact CD1-CB 3.04Å; L12-A68 HydrophobicContact CG-CB 4.5Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 3.46Å; V65-A68 VanDerWaalsContact O-CB 3.23Å; V65-A68 WeakPolarHBondContact O-CB 3.41Å; V65-A68 PolarHBondContact O-N 3.11Å; A68-C72 PolarHBondContact O-N 3.19Å |
| 69 | L | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -36.9 | 178.6 | -71 | 174.1 | 0 | 0 | 0 | 113 | V65 I66 Q67 F71 C72 F75 F104 L145 L148 L149 F217 | V65-L69 HydrophobicContact CG1-CD1 3.98Å; V65-L69 HydrophobicContact CG1-CG 4.4Å; V65-L69 WeakPolarHBondContact O-CG 3.41Å; V65-L69 PolarHBondContact O-N 3.04Å; I66-L69 PolarHBondContact O-N 3.35Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 2.92Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.97Å; L69-C72 WeakPolarHBondContact O-CB 3.45Å; L69-C72 PolarHBondContact O-N 3.19Å; L69-C72 VanDerWaalsContact O-N 3.16Å; L69-F75 HydrophobicContact CB-CD1 3.91Å; L69-F75 HydrophobicContact CB-CE1 3.87Å; L69-F75 HydrophobicContact CD1-CE1 4.21Å; L69-F75 HydrophobicContact CD2-CD1 4.2Å; L69-F75 HydrophobicContact CD2-CE1 4.22Å; L69-F75 HydrophobicContact CG-CE1 4.34Å; L69-F104 HydrophobicContact CB-CZ 4.26Å; L69-L145 HydrophobicContact CD1-CD1 4.13Å; L69-L145 HydrophobicContact CD2-CD1 4.04Å; L69-L145 HydrophobicContact CG-CD1 4.28Å; L69-L148 HydrophobicContact CD1-CD2 3.54Å; L69-L149 HydrophobicContact CD2-CD2 4.29Å; L69-F217 HydrophobicContact CD2-CE1 4.49Å; L69-F217 HydrophobicContact CD2-CE2 4.24Å; L69-F217 HydrophobicContact CD2-CZ 3.68Å |
| 70 | Y | 94.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 179.3 | -178.6 | -104.2 | 0 | 0 | 0 | 111.8 | I66 Q67 R76 F104 I107 | I66-Y70 WeakPolarHBondContact O-CB 3.31Å; I66-Y70 PolarHBondContact O-N 3.33Å; Q67-Y70 PolarHBondContact O-N 3Å; Y70-R76 HydrophobicContact CD2-CG 4.27Å; Y70-R76 HydrophobicContact CE2-CG 4.16Å; Y70-R76 WeakPolarHBondContact O-CB 3.36Å; Y70-R76 WeakPolarHBondContact O-CD 3.43Å; Y70-F104 VanDerWaalsContact CA-CZ 3.48Å; Y70-F104 HydrophobicContact CD2-CB 4.29Å; Y70-F104 AromaticContact CD2-CD1 3.7Å; Y70-F104 HydrophobicContact CD2-CD1 3.7Å; Y70-F104 AromaticContact CD2-CD2 3.92Å; Y70-F104 HydrophobicContact CD2-CD2 3.92Å; Y70-F104 AromaticContact CD2-CE1 3.88Å; Y70-F104 HydrophobicContact CD2-CE1 3.88Å; Y70-F104 HydrophobicContact CD2-CE2 4.12Å; Y70-F104 AromaticContact CD2-CG 3.71Å; Y70-F104 HydrophobicContact CD2-CG 3.71Å; Y70-F104 HydrophobicContact CD2-CZ 4.11Å; Y70-F104 HydrophobicContact CE2-CB 4.32Å; Y70-F104 HydrophobicContact CE2-CD1 4.48Å; Y70-F104 HydrophobicContact CE2-CG 4.23Å; Y70-F104 HydrophobicContact CG-CE1 4.38Å; Y70-F104 HydrophobicContact CG-CZ 4.5Å; Y70-I107 HydrophobicContact CD2-CD1 4.24Å; Y70-I107 HydrophobicContact CE1-CG2 3.82Å; Y70-I107 HydrophobicContact CE2-CB 4.06Å; Y70-I107 HydrophobicContact CE2-CD1 4.32Å; Y70-I107 HydrophobicContact CE2-CG2 4.01Å; Y70-I107 VanDerWaalsContact CZ-CG2 3.46Å; Y70-I107 WeakPolarHBondContact OH-CG2 3.08Å |
| 71 | F | 89.5 | Confident | 93.5 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -88 | -3.4 | 177 | -68.9 | -80.9 | 0 | 0 | 0 | 114.2 | N16 V19 F22 F48 Q67 L69 R73 | N16-F71 PolarHBondContact ND2-O 3.06Å; V19-F71 HydrophobicContact CB-CB 4.49Å; V19-F71 HydrophobicContact CG2-CB 3.26Å; V19-F71 HydrophobicContact CG2-CG 4.04Å; F22-F71 HydrophobicContact CB-CZ 4.35Å; F22-F71 HydrophobicContact CD1-CD2 4.28Å; F22-F71 AromaticContact CD1-CE2 3.5Å; F22-F71 HydrophobicContact CD1-CE2 3.5Å; F22-F71 VanDerWaalsContact CD1-CE2 3.5Å; F22-F71 AromaticContact CD1-CZ 3.93Å; F22-F71 HydrophobicContact CD1-CZ 3.93Å; F22-F71 HydrophobicContact CD2-CE2 4.41Å; F22-F71 HydrophobicContact CD2-CZ 4.04Å; F22-F71 AromaticContact CE1-CE2 3.66Å; F22-F71 HydrophobicContact CE1-CE2 3.66Å; F22-F71 HydrophobicContact CE1-CZ 4.2Å; F22-F71 HydrophobicContact CE2-CZ 4.32Å; F22-F71 AromaticContact CG-CE2 3.89Å; F22-F71 HydrophobicContact CG-CE2 3.89Å; F22-F71 AromaticContact CG-CZ 3.83Å; F22-F71 HydrophobicContact CG-CZ 3.83Å; F22-F71 HydrophobicContact CZ-CE2 4.19Å; F22-F71 HydrophobicContact CZ-CZ 4.37Å; F48-F71 HydrophobicContact CD1-CE1 4.15Å; F48-F71 AromaticContact CD1-CZ 3.94Å; F48-F71 HydrophobicContact CD1-CZ 3.94Å; F48-F71 AromaticContact CE1-CE1 3.99Å; F48-F71 HydrophobicContact CE1-CE1 3.99Å; F48-F71 HydrophobicContact CE1-CZ 4.23Å; Q67-F71 VanDerWaalsContact O-CD2 3.28Å; Q67-F71 WeakPolarHBondContact O-CD2 3.4Å; Q67-F71 PolarHBondContact O-N 2.87Å; Q67-F71 VanDerWaalsContact O-N 3.14Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.97Å; F71-R73 PolarHBondContact O-N 3.37Å |
| 72 | C | 90.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 32 Ų | 32 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | trans | -71.2 | 94 | 162.9 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | A68 L69 F75 R76 | A68-C72 PolarHBondContact O-N 3.19Å; L69-C72 WeakPolarHBondContact O-CB 3.45Å; L69-C72 PolarHBondContact O-N 3.19Å; L69-C72 VanDerWaalsContact O-N 3.16Å; C72-F75 HydrophobicContact CB-CB 4Å; C72-F75 WeakPolarHBondContact O-CB 3.43Å; C72-F75 PolarHBondContact O-N 3.21Å; C72-R76 PolarHBondContact O-N 3.39Å | ||
| 73 | R | 90.8 | Very high | 93.8 | Very high | 120 Ų | 120 | 33.6 Ų | 33.6 | 45% | 0.453 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -51.8 | -48.6 | -172.7 | -69.2 | -174.6 | 174.6 | -177.7 | -2.2 | 113.9 | F71 F75 R76 E77 | F71-R73 PolarHBondContact O-N 3.37Å; R73-F75 VanDerWaalsContact C-N 3.28Å; R73-F75 PolarHBondContact O-N 2.72Å; R73-R76 PolarHBondContact O-N 2.79Å; R73-E77 WeakPolarHBondContact O-CB 3.17Å; R73-E77 VanDerWaalsContact O-CG 3.32Å; R73-E77 WeakPolarHBondContact O-CG 3.37Å; R73-E77 PolarHBondContact O-N 3.03Å |
| 74 | P | 92.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 178.7 | -24 | 34.9 | 0 | 0 | 0 | 112.5 | R78 V216 | P74-R78 WeakPolarHBondContact O-CG 3.39Å; P74-R78 PolarHBondContact O-N 3.26Å; P74-V216 HydrophobicContact CB-CG1 4.33Å; P74-V216 HydrophobicContact CB-CG2 4.02Å |
| 75 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -49.1 | 177.3 | -174.6 | -102.5 | 0 | 0 | 0 | 111.8 | L69 C72 R73 E77 R78 V79 L100 F104 L149 W212 V216 F217 | L69-F75 HydrophobicContact CB-CD1 3.91Å; L69-F75 HydrophobicContact CB-CE1 3.87Å; L69-F75 HydrophobicContact CD1-CE1 4.21Å; L69-F75 HydrophobicContact CD2-CD1 4.2Å; L69-F75 HydrophobicContact CD2-CE1 4.22Å; L69-F75 HydrophobicContact CG-CE1 4.34Å; C72-F75 HydrophobicContact CB-CB 4Å; C72-F75 WeakPolarHBondContact O-CB 3.43Å; C72-F75 PolarHBondContact O-N 3.21Å; R73-F75 VanDerWaalsContact C-N 3.28Å; R73-F75 PolarHBondContact O-N 2.72Å; F75-E77 VanDerWaalsContact C-N 3.33Å; F75-E77 PolarHBondContact O-N 2.82Å; F75-R78 PolarHBondContact O-N 3.24Å; F75-V79 HydrophobicContact CD1-CG2 4.08Å; F75-V79 HydrophobicContact CE1-CG2 3.69Å; F75-V79 HydrophobicContact CE2-CG2 4.21Å; F75-V79 HydrophobicContact CG-CG2 4.49Å; F75-V79 HydrophobicContact CZ-CG2 3.77Å; F75-V79 WeakPolarHBondContact O-CG2 3.34Å; F75-V79 PolarHBondContact O-N 3.28Å; F75-L100 HydrophobicContact CE1-CD2 4.07Å; F75-L100 HydrophobicContact CZ-CD2 3.95Å; F75-F104 AromaticContact CD1-CE2 3.93Å; F75-F104 HydrophobicContact CD1-CE2 3.93Å; F75-F104 HydrophobicContact CD1-CZ 4.3Å; F75-F104 AromaticContact CE1-CE2 3.95Å; F75-F104 HydrophobicContact CE1-CE2 3.95Å; F75-F104 HydrophobicContact CE1-CZ 4.09Å; F75-L149 HydrophobicContact CE2-CD2 4.13Å; F75-L149 HydrophobicContact CZ-CD2 4.49Å; F75-W212 HydrophobicContact CD2-CH2 4.25Å; F75-W212 AromaticContact CD2-CZ3 3.61Å; F75-W212 HydrophobicContact CD2-CZ3 3.61Å; F75-W212 AromaticContact CE2-CH2 3.9Å; F75-W212 HydrophobicContact CE2-CH2 3.9Å; F75-W212 AromaticContact CE2-CZ3 3.65Å; F75-W212 HydrophobicContact CE2-CZ3 3.65Å; F75-V216 HydrophobicContact CB-CG1 4.37Å; F75-F217 HydrophobicContact CB-CE2 4.29Å; F75-F217 HydrophobicContact CB-CZ 4.2Å; F75-F217 HydrophobicContact CD2-CD2 4.49Å; F75-F217 AromaticContact CD2-CE2 3.47Å; F75-F217 HydrophobicContact CD2-CE2 3.47Å; F75-F217 VanDerWaalsContact CD2-CE2 3.47Å; F75-F217 HydrophobicContact CD2-CZ 4.11Å; F75-F217 HydrophobicContact CE2-CE2 4Å; F75-F217 HydrophobicContact CG-CE2 4.04Å; F75-F217 HydrophobicContact CG-CZ 4.22Å |
| 76 | R | 95.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 41 Ų | 41 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.1 | -47.9 | 178.1 | 179.3 | 177.8 | 62.2 | 177.9 | 10.6 | 111.9 | D46 Y70 C72 R73 R78 V79 L80 F104 | D46-R76 IonicContact OD1-CZ 2.66Å; D46-R76 IonicContact OD1-NH1 2.72Å; D46-R76 PolarHBondContact OD1-NH1 2.85Å; D46-R76 IonicContact OD1-NH2 3.7Å; D46-R76 PolarHBondContact OD1-NH2 2.84Å; Y70-R76 HydrophobicContact CD2-CG 4.27Å; Y70-R76 HydrophobicContact CE2-CG 4.16Å; Y70-R76 WeakPolarHBondContact O-CB 3.36Å; Y70-R76 WeakPolarHBondContact O-CD 3.43Å; C72-R76 PolarHBondContact O-N 3.39Å; R73-R76 PolarHBondContact O-N 2.79Å; R76-R78 PolarHBondContact O-N 3.36Å; R76-V79 PolarHBondContact O-N 3.04Å; R76-L80 HydrophobicContact CG-CD1 3.93Å; R76-L80 HydrophobicContact CG-CG 4.44Å; R76-L80 WeakPolarHBondContact O-CB 3.49Å; R76-L80 WeakPolarHBondContact O-CG 3.46Å; R76-L80 PolarHBondContact O-N 3.31Å; R76-F104 HydrophobicContact CB-CE2 4.41Å; R76-F104 HydrophobicContact CG-CD2 4.3Å |
| 77 | E | 95.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 49.8 Ų | 49.8 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -41.5 | -179.1 | -72.8 | 169.4 | -166.7 | 0 | 0 | 112 | R73 F75 S81 | R73-E77 WeakPolarHBondContact O-CB 3.17Å; R73-E77 VanDerWaalsContact O-CG 3.32Å; R73-E77 WeakPolarHBondContact O-CG 3.37Å; R73-E77 PolarHBondContact O-N 3.03Å; F75-E77 VanDerWaalsContact C-N 3.33Å; F75-E77 PolarHBondContact O-N 2.82Å; E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.03Å |
| 78 | R | 96.9 | Very high | 92.9 | Very high | 133 Ų | 133 | 57.9 Ų | 57.9 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.6 | -67.3 | -69.2 | -176.2 | 177.3 | 2.3 | 112.2 | P74 F75 R76 S81 Y82 W212 | P74-R78 WeakPolarHBondContact O-CG 3.39Å; P74-R78 PolarHBondContact O-N 3.26Å; F75-R78 PolarHBondContact O-N 3.24Å; R76-R78 PolarHBondContact O-N 3.36Å; R78-S81 PolarHBondContact O-N 3.32Å; R78-Y82 WeakPolarHBondContact O-CB 3.23Å; R78-Y82 PolarHBondContact O-N 3.37Å; R78-W212 HydrophobicContact CB-CD2 3.65Å; R78-W212 HydrophobicContact CB-CE3 3.43Å; R78-W212 VanDerWaalsContact CB-CE3 3.43Å; R78-W212 HydrophobicContact CB-CG 4.33Å; R78-W212 HydrophobicContact CB-CH2 4.05Å; R78-W212 HydrophobicContact CB-CZ2 4.21Å; R78-W212 HydrophobicContact CB-CZ3 3.65Å; R78-W212 HydrophobicContact CG-CB 4.39Å; R78-W212 HydrophobicContact CG-CD2 3.97Å; R78-W212 HydrophobicContact CG-CE3 3.75Å; R78-W212 HydrophobicContact CG-CG 4.25Å; R78-W212 HydrophobicContact CG-CZ3 4.39Å |
| 79 | V | 97 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | F75 R76 Y82 K83 L100 A101 F104 W212 | F75-V79 HydrophobicContact CD1-CG2 4.08Å; F75-V79 HydrophobicContact CE1-CG2 3.69Å; F75-V79 HydrophobicContact CE2-CG2 4.21Å; F75-V79 HydrophobicContact CG-CG2 4.49Å; F75-V79 HydrophobicContact CZ-CG2 3.77Å; F75-V79 WeakPolarHBondContact O-CG2 3.34Å; F75-V79 PolarHBondContact O-N 3.28Å; R76-V79 PolarHBondContact O-N 3.04Å; V79-Y82 WeakPolarHBondContact O-CB 3.26Å; V79-Y82 PolarHBondContact O-N 2.84Å; V79-K83 PolarHBondContact O-N 2.91Å; V79-K83 VanDerWaalsContact O-N 3.11Å; V79-L100 HydrophobicContact CG1-CG 4.45Å; V79-L100 HydrophobicContact CG2-CD2 4.5Å; V79-A101 HydrophobicContact CG1-CB 3.85Å; V79-F104 HydrophobicContact CB-CD2 3.83Å; V79-F104 HydrophobicContact CB-CE2 4.22Å; V79-F104 HydrophobicContact CG1-CB 4.15Å; V79-F104 HydrophobicContact CG1-CD2 3.56Å; V79-F104 HydrophobicContact CG1-CE2 4.2Å; V79-F104 HydrophobicContact CG1-CG 4.01Å; V79-F104 HydrophobicContact CG2-CD2 4.42Å; V79-F104 HydrophobicContact CG2-CE2 4.33Å; V79-W212 HydrophobicContact CG2-CH2 3.83Å |
| 80 | L | 96.1 | Very high | 91.8 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 20% | 0.199 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 175.5 | -70.5 | 174.7 | 0 | 0 | 0 | 112.4 | R76 K83 S84 F104 H105 | R76-L80 HydrophobicContact CG-CD1 3.93Å; R76-L80 HydrophobicContact CG-CG 4.44Å; R76-L80 WeakPolarHBondContact O-CB 3.49Å; R76-L80 WeakPolarHBondContact O-CG 3.46Å; R76-L80 PolarHBondContact O-N 3.31Å; L80-K83 PolarHBondContact O-N 3.27Å; L80-S84 PolarHBondContact O-N 2.99Å; L80-S84 PolarHBondContact O-OG 3.23Å; L80-S84 VanDerWaalsContact O-OG 3.1Å; L80-F104 HydrophobicContact CD2-CB 4.02Å; L80-H105 HydrophobicContact CD2-CB 4.19Å |
| 81 | S | 95.6 | Very high | 90.8 | Very high | 53 Ų | 53 | 69.2 Ų | 69.2 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 172.5 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | E77 R78 K83 S84 Q85 | E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.03Å; R78-S81 PolarHBondContact O-N 3.32Å; S81-K83 PolarHBondContact O-N 3.3Å; S81-S84 WeakPolarHBondContact O-CB 3.26Å; S81-S84 PolarHBondContact O-N 3.5Å; S81-S84 VanDerWaalsContact O-N 3.1Å; S81-Q85 WeakPolarHBondContact O-CG 3.33Å; S81-Q85 PolarHBondContact O-N 3.49Å; S81-Q85 PolarHBondContact OG-NE2 3.33Å |
| 82 | Y | 94.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.9 | 179.2 | -101.8 | 0 | 0 | 0 | 112 | R78 V79 S84 Q85 L86 L97 A101 L156 E159 | R78-Y82 WeakPolarHBondContact O-CB 3.23Å; R78-Y82 PolarHBondContact O-N 3.37Å; V79-Y82 WeakPolarHBondContact O-CB 3.26Å; V79-Y82 PolarHBondContact O-N 2.84Å; Y82-S84 VanDerWaalsContact C-N 3.26Å; Y82-S84 PolarHBondContact O-N 3.16Å; Y82-Q85 WeakPolarHBondContact O-CB 3.4Å; Y82-Q85 PolarHBondContact O-N 2.98Å; Y82-Q85 VanDerWaalsContact O-N 3.1Å; Y82-L86 HydrophobicContact CD1-CD1 4.03Å; Y82-L86 HydrophobicContact CD1-CG 4.38Å; Y82-L86 HydrophobicContact CE1-CD1 3.38Å; Y82-L86 HydrophobicContact CE1-CD2 4.46Å; Y82-L86 HydrophobicContact CE1-CG 3.94Å; Y82-L86 HydrophobicContact CE2-CD2 4.35Å; Y82-L86 HydrophobicContact CE2-CG 4.39Å; Y82-L86 PolarHBondContact O-N 3.47Å; Y82-L97 HydrophobicContact CD1-CD1 4.3Å; Y82-L97 HydrophobicContact CD1-CD2 3.91Å; Y82-L97 HydrophobicContact CD1-CG 3.76Å; Y82-L97 HydrophobicContact CD2-CD2 4.19Å; Y82-L97 HydrophobicContact CE1-CB 4.36Å; Y82-L97 HydrophobicContact CE1-CD1 4.48Å; Y82-L97 HydrophobicContact CE1-CD2 3.59Å; Y82-L97 HydrophobicContact CE1-CG 3.48Å; Y82-L97 VanDerWaalsContact CE1-CG 3.48Å; Y82-L97 HydrophobicContact CE2-CD2 3.89Å; Y82-L97 HydrophobicContact CG-CD2 4.19Å; Y82-L97 HydrophobicContact CG-CG 4.46Å; Y82-A101 HydrophobicContact CD1-CB 4.1Å; Y82-L156 HydrophobicContact CD2-CD2 4.3Å; Y82-L156 HydrophobicContact CE2-CD2 4.29Å; Y82-E159 WeakPolarHBondContact CE2-OE2 3.43Å; Y82-E159 PolarHBondContact OH-OE1 2.91Å |
| 83 | K | 93.5 | Very high | 89.1 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 174 | -171.8 | 65.8 | 173.6 | -169.7 | 0 | 112.3 | V79 L80 S81 Q85 L86 K87 A101 D102 H105 | V79-K83 PolarHBondContact O-N 2.91Å; V79-K83 VanDerWaalsContact O-N 3.11Å; L80-K83 PolarHBondContact O-N 3.27Å; S81-K83 PolarHBondContact O-N 3.3Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-L86 PolarHBondContact O-N 2.85Å; K83-K87 PolarHBondContact O-N 2.71Å; K83-A101 HydrophobicContact CB-CB 4.06Å; K83-A101 HydrophobicContact CD-CB 4.22Å; K83-D102 IonicContact NZ-OD1 2.88Å; K83-D102 PolarHBondContact NZ-OD1 3.26Å; K83-H105 HydrophobicContact CG-CB 4.24Å |
| 84 | S | 92.4 | Very high | 88.9 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.3 | -35.4 | -180 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | L80 S81 Y82 K88 | L80-S84 PolarHBondContact O-N 2.99Å; L80-S84 PolarHBondContact O-OG 3.23Å; L80-S84 VanDerWaalsContact O-OG 3.1Å; S81-S84 WeakPolarHBondContact O-CB 3.26Å; S81-S84 PolarHBondContact O-N 3.5Å; S81-S84 VanDerWaalsContact O-N 3.1Å; Y82-S84 VanDerWaalsContact C-N 3.26Å; Y82-S84 PolarHBondContact O-N 3.16Å; S84-K88 WeakPolarHBondContact O-CG 3.5Å; S84-K88 PolarHBondContact O-N 2.93Å |
| 85 | Q | 90.9 | Very high | 88.9 | Confident | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 176.2 | -68.3 | 171 | 42.9 | 0 | 0 | 111.8 | S81 Y82 K83 K87 K88 A89 | S81-Q85 WeakPolarHBondContact O-CG 3.33Å; S81-Q85 PolarHBondContact O-N 3.49Å; S81-Q85 PolarHBondContact OG-NE2 3.33Å; Y82-Q85 WeakPolarHBondContact O-CB 3.4Å; Y82-Q85 PolarHBondContact O-N 2.98Å; Y82-Q85 VanDerWaalsContact O-N 3.1Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 3.49Å; Q85-K88 WeakPolarHBondContact O-CB 3.37Å; Q85-K88 PolarHBondContact O-N 3.2Å; Q85-A89 PolarHBondContact O-N 3.47Å |
| 86 | L | 89 | Confident | 88.9 | Confident | 20 Ų | 20 | 77 Ų | 77 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 176.8 | -69.7 | -175.1 | 0 | 0 | 0 | 112.8 | Y82 K83 K88 A89 N90 A91 F98 | Y82-L86 HydrophobicContact CD1-CD1 4.03Å; Y82-L86 HydrophobicContact CD1-CG 4.38Å; Y82-L86 HydrophobicContact CE1-CD1 3.38Å; Y82-L86 HydrophobicContact CE1-CD2 4.46Å; Y82-L86 HydrophobicContact CE1-CG 3.94Å; Y82-L86 HydrophobicContact CE2-CD2 4.35Å; Y82-L86 HydrophobicContact CE2-CG 4.39Å; Y82-L86 PolarHBondContact O-N 3.47Å; K83-L86 PolarHBondContact O-N 2.85Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.03Å; L86-A89 PolarHBondContact O-N 3.43Å; L86-N90 PolarHBondContact O-N 3.36Å; L86-N90 VanDerWaalsContact O-N 3.15Å; L86-A91 HydrophobicContact CD2-CB 4.18Å; L86-A91 PolarHBondContact O-N 2.93Å; L86-F98 HydrophobicContact CD1-CD2 3.55Å; L86-F98 HydrophobicContact CD1-CE2 4.25Å |
| 87 | K | 87 | Confident | 88.9 | Confident | 185 Ų | 185 | 75.6 Ų | 75.6 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.2 | -38.1 | 175 | -170.5 | 179.2 | -179.7 | -179.4 | 0 | 112 | K83 Q85 | K83-K87 PolarHBondContact O-N 2.71Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 3.49Å |
| 88 | K | 86.8 | Confident | 88.9 | Confident | 185 Ų | 185 | 70.9 Ų | 70.9 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.7 | -38.9 | 178 | -70 | 176.6 | -178.4 | -177.7 | 0 | 112.4 | S84 Q85 L86 N90 | S84-K88 WeakPolarHBondContact O-CG 3.5Å; S84-K88 PolarHBondContact O-N 2.93Å; Q85-K88 WeakPolarHBondContact O-CB 3.37Å; Q85-K88 PolarHBondContact O-N 3.2Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.03Å; K88-N90 PolarHBondContact O-N 3.01Å |
| 89 | A | 83.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -77.1 | -8.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q85 L86 A91 | Q85-A89 PolarHBondContact O-N 3.47Å; L86-A89 PolarHBondContact O-N 3.43Å; A89-A91 HydrophobicContact CB-CB 3.97Å; A89-A91 PolarHBondContact O-N 3.26Å; A89-A91 VanDerWaalsContact O-N 3.1Å |
| 90 | N | 79.8 | Confident | 88.9 | Confident | 139 Ų | 139 | 65.1 Ų | 65.1 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 30.8 | -168 | -159.8 | 25.8 | 0 | 0 | 0 | 112.7 | L86 K88 | L86-N90 PolarHBondContact O-N 3.36Å; L86-N90 VanDerWaalsContact O-N 3.15Å; K88-N90 PolarHBondContact O-N 3.01Å |
| 91 | A | 74.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | trans | -93.1 | 114.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L86 A89 | L86-A91 HydrophobicContact CD2-CB 4.18Å; L86-A91 PolarHBondContact O-N 2.93Å; A89-A91 HydrophobicContact CB-CB 3.97Å; A89-A91 PolarHBondContact O-N 3.26Å; A89-A91 VanDerWaalsContact O-N 3.1Å | ||
| 92 | Q | 68.6 | Low | 88.9 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | trans | -111.3 | 55.7 | -179.4 | -66.2 | -108.2 | -41.5 | 0 | 0 | 110.1 | E94 | Q92-E94 PolarHBondContact O-N 2.89Š| ||
| 93 | K | 75.8 | Confident | 89 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | trans | -81.3 | 97.2 | 167.4 | -164.8 | 177.2 | 179.9 | -170.9 | 0 | 107.3 | N95 E158 | K93-N95 PolarHBondContact O-N 2.84Å; K93-E158 IonicContact NZ-OE2 3.62Å | ||
| 94 | E | 85.7 | Confident | 89.2 | Confident | 117 Ų | 117 | 60.3 Ų | 60.3 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | trans | -65.7 | 108.2 | 170.4 | -62.2 | -167.7 | 149.7 | 0 | 0 | 107.7 | Q92 F98 R125 | Q92-E94 PolarHBondContact O-N 2.89Å; E94-F98 HydrophobicContact CG-CD1 4.33Å; E94-F98 HydrophobicContact CG-CE1 4.26Å; E94-R125 PolarHBondContact O-NH1 3.44Å; E94-R125 PolarHBondContact O-NH2 2.72Å | ||
| 95 | N | 92.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | trans | -135.7 | 174.9 | 172.4 | 61.2 | 30.9 | 0 | 0 | 0 | 108.8 | K93 L97 F98 C99 I155 | K93-N95 PolarHBondContact O-N 2.84Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.44Å; N95-L97 PolarHBondContact OD1-N 3.11Å; N95-F98 WeakPolarHBondContact O-CB 3.22Å; N95-F98 PolarHBondContact O-N 3.03Å; N95-F98 VanDerWaalsContact O-N 3.14Å; N95-F98 WeakPolarHBondContact OD1-CB 3.4Å; N95-F98 PolarHBondContact OD1-N 3.03Å; N95-C99 PolarHBondContact O-N 3.4Å; N95-C99 VanDerWaalsContact O-N 3.08Å; N95-I155 HydrophobicContact CB-CD1 4.01Å; N95-I155 WeakPolarHBondContact ND2-CG2 3.2Å | ||
| 96 | L | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -39.8 | -178.4 | -165.8 | 63.6 | 0 | 0 | 0 | 113.2 | C99 L100 F122 R125 L126 E129 Y147 L148 T151 | L96-C99 PolarHBondContact O-N 3.1Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 PolarHBondContact O-N 3.21Å; L96-F122 HydrophobicContact CD1-CD2 4.04Å; L96-F122 HydrophobicContact CD1-CE2 3.57Å; L96-F122 HydrophobicContact CD1-CZ 3.85Å; L96-F122 HydrophobicContact CG-CE2 3.89Å; L96-F122 HydrophobicContact CG-CZ 4.27Å; L96-R125 HydrophobicContact CD1-CB 4.4Å; L96-R125 HydrophobicContact CD1-CG 4.3Å; L96-L126 HydrophobicContact CD1-CB 4.07Å; L96-L126 HydrophobicContact CD1-CD1 4.47Å; L96-L126 HydrophobicContact CD2-CD1 4.37Å; L96-E129 WeakPolarHBondContact CB-OE2 3.2Å; L96-E129 PolarHBondContact N-OE1 3.32Å; L96-Y147 HydrophobicContact CD2-CE1 3.79Å; L96-L148 HydrophobicContact CD2-CD1 3.66Å; L96-L148 HydrophobicContact CG-CD1 4.07Å; L96-T151 HydrophobicContact CB-CG2 4.27Å; L96-T151 HydrophobicContact CD2-CG2 3.96Å |
| 97 | L | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.6 | 178.5 | 56 | 0 | 0 | 0 | 112 | Y82 N95 C99 L100 A101 V152 I155 L156 | Y82-L97 HydrophobicContact CD1-CD1 4.3Å; Y82-L97 HydrophobicContact CD1-CD2 3.91Å; Y82-L97 HydrophobicContact CD1-CG 3.76Å; Y82-L97 HydrophobicContact CD2-CD2 4.19Å; Y82-L97 HydrophobicContact CE1-CB 4.36Å; Y82-L97 HydrophobicContact CE1-CD1 4.48Å; Y82-L97 HydrophobicContact CE1-CD2 3.59Å; Y82-L97 HydrophobicContact CE1-CG 3.48Å; Y82-L97 VanDerWaalsContact CE1-CG 3.48Å; Y82-L97 HydrophobicContact CE2-CD2 3.89Å; Y82-L97 HydrophobicContact CG-CD2 4.19Å; Y82-L97 HydrophobicContact CG-CG 4.46Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.44Å; N95-L97 PolarHBondContact OD1-N 3.11Å; L97-C99 PolarHBondContact O-N 2.98Å; L97-L100 PolarHBondContact O-N 3.34Å; L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.13Å; L97-A101 PolarHBondContact O-N 2.94Å; L97-V152 HydrophobicContact CB-CG2 4.38Å; L97-V152 HydrophobicContact CD1-CG1 3.75Å; L97-V152 HydrophobicContact CD1-CG2 4.11Å; L97-V152 HydrophobicContact CD2-CG1 4.09Å; L97-V152 HydrophobicContact CG-CG1 4.37Å; L97-I155 HydrophobicContact CB-CD1 3.87Å; L97-I155 HydrophobicContact CB-CG2 4.29Å; L97-I155 HydrophobicContact CD2-CG2 3.98Å; L97-L156 HydrophobicContact CD2-CD2 3.89Å; L97-L156 HydrophobicContact CD2-CG 4.09Å |
| 98 | F | 95.1 | Very high | 90 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.6 | 175.2 | -97.4 | 0 | 0 | 0 | 111.3 | L86 E94 N95 L100 A101 D102 | L86-F98 HydrophobicContact CD1-CD2 3.55Å; L86-F98 HydrophobicContact CD1-CE2 4.25Å; E94-F98 HydrophobicContact CG-CD1 4.33Å; E94-F98 HydrophobicContact CG-CE1 4.26Å; N95-F98 WeakPolarHBondContact O-CB 3.22Å; N95-F98 PolarHBondContact O-N 3.03Å; N95-F98 VanDerWaalsContact O-N 3.14Å; N95-F98 WeakPolarHBondContact OD1-CB 3.4Å; N95-F98 PolarHBondContact OD1-N 3.03Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-A101 PolarHBondContact O-N 3.46Å; F98-D102 WeakPolarHBondContact O-CB 3.48Å; F98-D102 PolarHBondContact O-N 3.35Å |
| 99 | C | 96.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 177.9 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | N95 L96 L97 D102 L103 F122 R125 | N95-C99 PolarHBondContact O-N 3.4Å; N95-C99 VanDerWaalsContact O-N 3.08Å; L96-C99 PolarHBondContact O-N 3.1Å; L97-C99 PolarHBondContact O-N 2.98Å; C99-D102 PolarHBondContact O-N 3.32Å; C99-L103 WeakPolarHBondContact O-CB 3.39Å; C99-L103 PolarHBondContact O-N 2.9Å; C99-F122 HydrophobicContact CB-CB 4.26Å; C99-F122 HydrophobicContact CB-CD2 4.05Å; C99-R125 HydrophobicContact CB-CB 4.41Å |
| 100 | L | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 174.6 | -174.7 | 63.4 | 0 | 0 | 0 | 111.1 | F75 V79 L96 L97 F98 L103 F104 F122 L148 | F75-L100 HydrophobicContact CE1-CD2 4.07Å; F75-L100 HydrophobicContact CZ-CD2 3.95Å; V79-L100 HydrophobicContact CG1-CG 4.45Å; V79-L100 HydrophobicContact CG2-CD2 4.5Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 PolarHBondContact O-N 3.21Å; L97-L100 PolarHBondContact O-N 3.34Å; F98-L100 VanDerWaalsContact C-N 3.34Å; L100-L103 WeakPolarHBondContact O-CB 3.23Å; L100-L103 PolarHBondContact O-N 3.11Å; L100-F104 HydrophobicContact CD1-CD1 4.16Å; L100-F104 HydrophobicContact CD1-CE1 3.72Å; L100-F104 HydrophobicContact CD1-CZ 4.16Å; L100-F104 HydrophobicContact CG-CE1 4.38Å; L100-F104 PolarHBondContact O-N 3.38Å; L100-F122 HydrophobicContact CB-CD2 4.1Å; L100-F122 HydrophobicContact CB-CE2 3.89Å; L100-F122 HydrophobicContact CD1-CD2 4.38Å; L100-F122 HydrophobicContact CD1-CE2 3.99Å; L100-F122 HydrophobicContact CG-CE2 4.47Å; L100-L148 HydrophobicContact CD2-CD1 4.48Å |
| 101 | A | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V79 Y82 K83 L97 F98 H105 | V79-A101 HydrophobicContact CG1-CB 3.85Å; Y82-A101 HydrophobicContact CD1-CB 4.1Å; K83-A101 HydrophobicContact CB-CB 4.06Å; K83-A101 HydrophobicContact CD-CB 4.22Å; L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.13Å; L97-A101 PolarHBondContact O-N 2.94Å; F98-A101 PolarHBondContact O-N 3.46Å; A101-H105 VanDerWaalsContact O-CB 3.22Å; A101-H105 WeakPolarHBondContact O-CB 3.24Å; A101-H105 PolarHBondContact O-N 2.9Å |
| 102 | D | 95.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 170.6 | -158.6 | 57 | 0 | 0 | 0 | 111.1 | K83 F98 C99 H105 N106 K121 | K83-D102 IonicContact NZ-OD1 2.88Å; K83-D102 PolarHBondContact NZ-OD1 3.26Å; F98-D102 WeakPolarHBondContact O-CB 3.48Å; F98-D102 PolarHBondContact O-N 3.35Å; C99-D102 PolarHBondContact O-N 3.32Å; D102-H105 PolarHBondContact O-N 3.1Å; D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.42Å; D102-N106 PolarHBondContact O-N 2.98Å; D102-N106 PolarHBondContact O-ND2 2.87Å; D102-N106 VanDerWaalsContact O-ND2 3.11Å; D102-N106 PolarHBondContact OD2-ND2 2.96Å; D102-K121 IonicContact OD2-NZ 3.12Å |
| 103 | L | 96.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 178.1 | -179.2 | 60.2 | 0 | 0 | 0 | 112.1 | L51 I66 C99 L100 H105 N106 I107 I117 P119 | L51-L103 HydrophobicContact CD2-CD1 4.12Å; I66-L103 HydrophobicContact CD1-CD2 4.1Å; I66-L103 HydrophobicContact CG2-CD2 3.86Å; C99-L103 WeakPolarHBondContact O-CB 3.39Å; C99-L103 PolarHBondContact O-N 2.9Å; L100-L103 WeakPolarHBondContact O-CB 3.23Å; L100-L103 PolarHBondContact O-N 3.11Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; L103-N106 PolarHBondContact O-N 2.86Å; L103-I107 HydrophobicContact CD1-CD1 4.38Å; L103-I107 HydrophobicContact CG-CD1 4.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.24Å; L103-I117 HydrophobicContact CD1-CG2 3.89Å; L103-P119 HydrophobicContact CD1-CB 4.19Å; L103-P119 HydrophobicContact CD2-CB 3.86Å |
| 104 | F | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 178.9 | -81.4 | 20.9 | 0 | 0 | 0 | 111.4 | I66 L69 Y70 F75 R76 V79 L80 L100 N106 I107 S108 | I66-F104 HydrophobicContact CG2-CE1 4.03Å; L69-F104 HydrophobicContact CB-CZ 4.26Å; Y70-F104 VanDerWaalsContact CA-CZ 3.48Å; Y70-F104 HydrophobicContact CD2-CB 4.29Å; Y70-F104 AromaticContact CD2-CD1 3.7Å; Y70-F104 HydrophobicContact CD2-CD1 3.7Å; Y70-F104 AromaticContact CD2-CD2 3.92Å; Y70-F104 HydrophobicContact CD2-CD2 3.92Å; Y70-F104 AromaticContact CD2-CE1 3.88Å; Y70-F104 HydrophobicContact CD2-CE1 3.88Å; Y70-F104 HydrophobicContact CD2-CE2 4.12Å; Y70-F104 AromaticContact CD2-CG 3.71Å; Y70-F104 HydrophobicContact CD2-CG 3.71Å; Y70-F104 HydrophobicContact CD2-CZ 4.11Å; Y70-F104 HydrophobicContact CE2-CB 4.32Å; Y70-F104 HydrophobicContact CE2-CD1 4.48Å; Y70-F104 HydrophobicContact CE2-CG 4.23Å; Y70-F104 HydrophobicContact CG-CE1 4.38Å; Y70-F104 HydrophobicContact CG-CZ 4.5Å; F75-F104 AromaticContact CD1-CE2 3.93Å; F75-F104 HydrophobicContact CD1-CE2 3.93Å; F75-F104 HydrophobicContact CD1-CZ 4.3Å; F75-F104 AromaticContact CE1-CE2 3.95Å; F75-F104 HydrophobicContact CE1-CE2 3.95Å; F75-F104 HydrophobicContact CE1-CZ 4.09Å; R76-F104 HydrophobicContact CB-CE2 4.41Å; R76-F104 HydrophobicContact CG-CD2 4.3Å; V79-F104 HydrophobicContact CB-CD2 3.83Å; V79-F104 HydrophobicContact CB-CE2 4.22Å; V79-F104 HydrophobicContact CG1-CB 4.15Å; V79-F104 HydrophobicContact CG1-CD2 3.56Å; V79-F104 HydrophobicContact CG1-CE2 4.2Å; V79-F104 HydrophobicContact CG1-CG 4.01Å; V79-F104 HydrophobicContact CG2-CD2 4.42Å; V79-F104 HydrophobicContact CG2-CE2 4.33Å; L80-F104 HydrophobicContact CD2-CB 4.02Å; L100-F104 HydrophobicContact CD1-CD1 4.16Å; L100-F104 HydrophobicContact CD1-CE1 3.72Å; L100-F104 HydrophobicContact CD1-CZ 4.16Å; L100-F104 HydrophobicContact CG-CE1 4.38Å; L100-F104 PolarHBondContact O-N 3.38Å; F104-N106 VanDerWaalsContact C-N 3.34Å; F104-N106 PolarHBondContact O-N 3.24Å; F104-I107 PolarHBondContact O-N 2.91Å; F104-S108 WeakPolarHBondContact O-CB 3.35Å; F104-S108 PolarHBondContact O-N 2.83Å; F104-S108 PolarHBondContact O-OG 3.3Å |
| 105 | H | 95.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.3 | -42 | 175.1 | -174.5 | 70.5 | 0 | 0 | 0 | 111.8 | L80 K83 A101 D102 L103 I107 S108 T109 | L80-H105 HydrophobicContact CD2-CB 4.19Å; K83-H105 HydrophobicContact CG-CB 4.24Å; A101-H105 VanDerWaalsContact O-CB 3.22Å; A101-H105 WeakPolarHBondContact O-CB 3.24Å; A101-H105 PolarHBondContact O-N 2.9Å; D102-H105 PolarHBondContact O-N 3.1Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 3.19Å; H105-S108 WeakPolarHBondContact CA-OG 3.48Å; H105-S108 PolarHBondContact O-N 3.3Å; H105-S108 PolarHBondContact O-OG 3.38Å; H105-S108 VanDerWaalsContact O-OG 3.12Å; H105-T109 VanDerWaalsContact CE1-CG2 3.42Å; H105-T109 WeakPolarHBondContact CE1-CG2 3.45Å; H105-T109 WeakPolarHBondContact O-CB 3.34Å; H105-T109 WeakPolarHBondContact O-CG2 3.41Å; H105-T109 PolarHBondContact O-N 3.29Å; H105-T109 PolarHBondContact O-OG1 3.21Å |
| 106 | N | 95.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.4 | -23.7 | 177.2 | -72.4 | -21.6 | 0 | 0 | 0 | 113.2 | D102 L103 F104 Q110 | D102-N106 VanDerWaalsContact O-CB 3.24Å; D102-N106 WeakPolarHBondContact O-CB 3.42Å; D102-N106 PolarHBondContact O-N 2.98Å; D102-N106 PolarHBondContact O-ND2 2.87Å; D102-N106 VanDerWaalsContact O-ND2 3.11Å; D102-N106 PolarHBondContact OD2-ND2 2.96Å; L103-N106 PolarHBondContact O-N 2.86Å; F104-N106 VanDerWaalsContact C-N 3.34Å; F104-N106 PolarHBondContact O-N 3.24Å; N106-Q110 WeakPolarHBondContact O-CG 3.22Å; N106-Q110 PolarHBondContact O-NE2 3.5Å |
| 107 | I | 94.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -80.6 | -47.1 | 171.5 | -63.7 | 161 | 0 | 0 | 0 | 109.7 | H47 F49 Y70 L103 F104 H105 T109 Q110 I117 | H47-I107 HydrophobicContact CB-CG2 4.31Å; H47-I107 WeakPolarHBondContact CB-O 3.48Å; F49-I107 HydrophobicContact CB-CG1 4.44Å; F49-I107 HydrophobicContact CB-CG2 4.06Å; F49-I107 HydrophobicContact CD2-CG2 4.09Å; F49-I107 HydrophobicContact CG-CG2 4.33Å; Y70-I107 HydrophobicContact CD2-CD1 4.24Å; Y70-I107 HydrophobicContact CE1-CG2 3.82Å; Y70-I107 HydrophobicContact CE2-CB 4.06Å; Y70-I107 HydrophobicContact CE2-CD1 4.32Å; Y70-I107 HydrophobicContact CE2-CG2 4.01Å; Y70-I107 VanDerWaalsContact CZ-CG2 3.46Å; Y70-I107 WeakPolarHBondContact OH-CG2 3.08Å; L103-I107 HydrophobicContact CD1-CD1 4.38Å; L103-I107 HydrophobicContact CG-CD1 4.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.24Å; F104-I107 PolarHBondContact O-N 2.91Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 3.19Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3.02Å; I107-Q110 PolarHBondContact O-N 3.11Å; I107-I117 HydrophobicContact CB-CD1 4.4Å; I107-I117 HydrophobicContact CG1-CD1 3.71Å |
| 108 | S | 92.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.1 | -18.2 | -173.2 | 68.3 | 0 | 0 | 0 | 0 | 114.8 | H47 F104 H105 | H47-S108 PolarHBondContact CE1-O 3.4Å; F104-S108 WeakPolarHBondContact O-CB 3.35Å; F104-S108 PolarHBondContact O-N 2.83Å; F104-S108 PolarHBondContact O-OG 3.3Å; H105-S108 WeakPolarHBondContact CA-OG 3.48Å; H105-S108 PolarHBondContact O-N 3.3Å; H105-S108 PolarHBondContact O-OG 3.38Å; H105-S108 VanDerWaalsContact O-OG 3.12Å |
| 109 | T | 92.6 | Very high | 93 | Very high | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.4 | -176.9 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | H105 I107 | H105-T109 VanDerWaalsContact CE1-CG2 3.42Å; H105-T109 WeakPolarHBondContact CE1-CG2 3.45Å; H105-T109 WeakPolarHBondContact O-CB 3.34Å; H105-T109 WeakPolarHBondContact O-CG2 3.41Å; H105-T109 PolarHBondContact O-N 3.29Å; H105-T109 PolarHBondContact O-OG1 3.21Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3.02Å |
| 110 | Q | 91.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | trans | -63.7 | 149.2 | 178.9 | -69.4 | -66.2 | -11.4 | 0 | 0 | 111.6 | H47 F49 N106 I107 I117 | H47-Q110 PolarHBondContact CD2-O 2.9Å; H47-Q110 PolarHBondContact NE2-O 2.85Å; F49-Q110 HydrophobicContact CD1-CG 4.27Å; F49-Q110 HydrophobicContact CD2-CB 4.5Å; F49-Q110 HydrophobicContact CD2-CG 4.34Å; F49-Q110 HydrophobicContact CE1-CB 4.05Å; F49-Q110 HydrophobicContact CE1-CG 3.63Å; F49-Q110 HydrophobicContact CE2-CB 3.52Å; F49-Q110 HydrophobicContact CE2-CG 3.74Å; F49-Q110 HydrophobicContact CZ-CB 3.25Å; F49-Q110 HydrophobicContact CZ-CG 3.36Å; N106-Q110 WeakPolarHBondContact O-CG 3.22Å; N106-Q110 PolarHBondContact O-NE2 3.5Å; I107-Q110 PolarHBondContact O-N 3.11Å; Q110-I117 HydrophobicContact CG-CD1 4.23Å | ||
| 111 | K | 89.7 | Confident | 92.7 | Very high | 210 Ų | 210 | 58.9 Ų | 58.9 | 91% | 0.913 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.7 | -33.1 | 175.5 | -64.4 | -175.7 | 179.6 | -178.1 | 0 | 112.5 | ||
| 112 | K | 88.6 | Confident | 92.6 | Very high | 151 Ų | 151 | 59 Ų | 59 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -87.2 | 143.1 | 179.4 | -62.9 | -174.5 | 178.5 | -174 | 0 | 109 | H47 F49 V114 | H47-K112 PolarHBondContact CD2-O 3.21Å; F49-K112 WeakPolarHBondContact CE2-O 3.24Å; F49-K112 HydrophobicContact CZ-CB 4.36Å; F49-K112 VanDerWaalsContact CZ-O 3.22Å; F49-K112 WeakPolarHBondContact CZ-O 3.29Å; K112-V114 VanDerWaalsContact C-N 3.28Å; K112-V114 WeakPolarHBondContact CB-O 3.46Å |
| 113 | R | 85 | Confident | 92.5 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -69.6 | -29.4 | 173.5 | -68.2 | -171.5 | 66.4 | -162 | -2.4 | 112.5 | T38 N39 F48 | T38-R113 PolarHBondContact O-NH2 3.34Å; T38-R113 VanDerWaalsContact O-NH2 3.09Å; N39-R113 PolarHBondContact OD1-NH1 2.82Å; F48-R113 PolarHBondContact N-O 3.44Å |
| 114 | V | 87.2 | Confident | 92.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.5 | -174.6 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | F34 E35 F48 K112 | F34-V114 HydrophobicContact CD1-CB 4.19Å; F34-V114 HydrophobicContact CD1-CG1 3.45Å; F34-V114 VanDerWaalsContact CD1-CG1 3.45Å; F34-V114 HydrophobicContact CD1-CG2 3.63Å; F34-V114 HydrophobicContact CE1-CB 4.36Å; F34-V114 HydrophobicContact CE1-CG1 3.79Å; F34-V114 HydrophobicContact CE1-CG2 3.67Å; E35-V114 HydrophobicContact CG-CB 3.76Å; E35-V114 HydrophobicContact CG-CG1 4.3Å; E35-V114 HydrophobicContact CG-CG2 3.62Å; F48-V114 HydrophobicContact CB-CG2 4.45Å; F48-V114 WeakPolarHBondContact O-CA 3.49Å; K112-V114 VanDerWaalsContact C-N 3.28Å; K112-V114 WeakPolarHBondContact CB-O 3.46Å |
| 115 | G | 89.8 | Confident | 92.1 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -162.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | F48 F49 G50 | F48-G115 PolarHBondContact O-N 2.93Å; F49-G115 CarbonylContact C-O 3.56Å; F49-G115 VanDerWaalsContact CA-O 3.31Å; F49-G115 WeakPolarHBondContact CA-O 3.46Å; F49-G115 VanDerWaalsContact CD1-C 3.49Å; G50-G115 PolarHBondContact N-O 2.96Å |
| 116 | T | 91.9 | Very high | 92 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 53% | 0.534 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | 175.3 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | G50 V52 | G50-T116 CarbonylContact O-C 3.49Å; G50-T116 WeakPolarHBondContact O-CA 3.32Å; V52-T116 HydrophobicContact CG1-CG2 4.49Å |
| 117 | I | 93.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.8 | 179.1 | -72.4 | 163.3 | 0 | 0 | 0 | 109.2 | F49 G50 L51 V52 L103 I107 Q110 P119 | F49-I117 HydrophobicContact CB-CD1 4.06Å; F49-I117 HydrophobicContact CD1-CD1 3.54Å; F49-I117 HydrophobicContact CD1-CG1 3.72Å; F49-I117 HydrophobicContact CE1-CD1 4.23Å; F49-I117 HydrophobicContact CE1-CG1 4.41Å; F49-I117 HydrophobicContact CG-CD1 3.87Å; F49-I117 HydrophobicContact CG-CG1 4.43Å; G50-I117 PolarHBondContact O-N 3.11Å; L51-I117 WeakPolarHBondContact CA-O 3.48Å; L51-I117 HydrophobicContact CD2-CB 4.34Å; L51-I117 HydrophobicContact CD2-CG2 4.44Å; V52-I117 PolarHBondContact N-O 3.18Å; L103-I117 HydrophobicContact CD1-CG2 3.89Å; I107-I117 HydrophobicContact CB-CD1 4.4Å; I107-I117 HydrophobicContact CG1-CD1 3.71Å; Q110-I117 HydrophobicContact CG-CD1 4.23Å; I117-P119 WeakPolarHBondContact O-CD 3.32Å |
| 118 | A | 93.1 | Very high | 91.7 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | trans | -93.1 | 115.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V52 K120 | V52-A118 HydrophobicContact CG2-CB 3.32Å; A118-K120 HydrophobicContact CB-CD 4.42Å; A118-K120 HydrophobicContact CB-CG 3.89Å; A118-K120 PolarHBondContact O-N 3Å | ||
| 119 | P | 93.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | trans | -78.1 | 43.4 | -179.1 | 33.6 | -35.5 | 0 | 0 | 0 | 112.5 | L51 V52 V54 L103 I117 K121 F122 V123 | L51-P119 HydrophobicContact CB-CG 4.48Å; L51-P119 HydrophobicContact CD2-CB 4.45Å; L51-P119 HydrophobicContact CD2-CG 4.43Å; V52-P119 WeakPolarHBondContact O-CD 3.09Å; V54-P119 HydrophobicContact CG2-CG 4.02Å; L103-P119 HydrophobicContact CD1-CB 4.19Å; L103-P119 HydrophobicContact CD2-CB 3.86Å; I117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-K121 PolarHBondContact O-N 2.91Å; P119-F122 HydrophobicContact CB-CB 4.44Å; P119-F122 PolarHBondContact O-N 2.95Å; P119-V123 HydrophobicContact CB-CG2 4.46Å; P119-V123 HydrophobicContact CG-CG2 4.13Å; P119-V123 WeakPolarHBondContact O-CG2 3.43Å; P119-V123 PolarHBondContact O-N 3.27Å | ||
| 120 | K | 93.3 | Very high | 91.5 | Very high | 136 Ų | 136 | 64.8 Ų | 64.8 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56.5 | -45.1 | -171.8 | -64.5 | -175 | 178.8 | -177.6 | 0 | 113 | V54 A118 G124 | V54-K120 HydrophobicContact CG1-CG 4.23Å; V54-K120 HydrophobicContact CG2-CG 4.33Å; A118-K120 HydrophobicContact CB-CD 4.42Å; A118-K120 HydrophobicContact CB-CG 3.89Å; A118-K120 PolarHBondContact O-N 3Å; K120-G124 PolarHBondContact O-N 3.47Å |
| 121 | K | 93.5 | Very high | 91.3 | Very high | 147 Ų | 147 | 67.5 Ų | 67.5 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 179.6 | -68.1 | -172.5 | -178.5 | 179.5 | 0 | 111.8 | D102 P119 R125 | D102-K121 IonicContact OD2-NZ 3.12Å; P119-K121 PolarHBondContact O-N 2.91Å; K121-R125 WeakPolarHBondContact O-CB 3.35Å; K121-R125 PolarHBondContact O-N 2.96Å |
| 122 | F | 94.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 178.9 | -179.9 | -89.2 | 0 | 0 | 0 | 111.3 | I66 L96 C99 L100 P119 G124 R125 L126 F144 L148 | I66-F122 HydrophobicContact CD1-CD1 3.73Å; I66-F122 HydrophobicContact CD1-CE1 3.67Å; I66-F122 HydrophobicContact CD1-CG 4.46Å; I66-F122 HydrophobicContact CD1-CZ 4.33Å; I66-F122 HydrophobicContact CG1-CE1 4.41Å; L96-F122 HydrophobicContact CD1-CD2 4.04Å; L96-F122 HydrophobicContact CD1-CE2 3.57Å; L96-F122 HydrophobicContact CD1-CZ 3.85Å; L96-F122 HydrophobicContact CG-CE2 3.89Å; L96-F122 HydrophobicContact CG-CZ 4.27Å; C99-F122 HydrophobicContact CB-CB 4.26Å; C99-F122 HydrophobicContact CB-CD2 4.05Å; L100-F122 HydrophobicContact CB-CD2 4.1Å; L100-F122 HydrophobicContact CB-CE2 3.89Å; L100-F122 HydrophobicContact CD1-CD2 4.38Å; L100-F122 HydrophobicContact CD1-CE2 3.99Å; L100-F122 HydrophobicContact CG-CE2 4.47Å; P119-F122 HydrophobicContact CB-CB 4.44Å; P119-F122 PolarHBondContact O-N 2.95Å; F122-G124 PolarHBondContact O-N 3.35Å; F122-R125 PolarHBondContact O-N 3.32Å; F122-R125 VanDerWaalsContact O-N 3.16Å; F122-L126 HydrophobicContact CE1-CD2 4.37Å; F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 3.26Å; F122-F144 HydrophobicContact CE1-CE2 4.22Å; F122-F144 AromaticContact CE1-CZ 3.8Å; F122-F144 HydrophobicContact CE1-CZ 3.8Å; F122-F144 HydrophobicContact CZ-CE2 4.33Å; F122-F144 AromaticContact CZ-CZ 3.94Å; F122-F144 HydrophobicContact CZ-CZ 3.94Å; F122-L148 HydrophobicContact CE2-CD1 4.2Å; F122-L148 HydrophobicContact CZ-CD1 3.94Å; F122-L148 HydrophobicContact CZ-CD2 4.38Å |
| 123 | V | 92.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | V54 T59 P119 R125 L126 K127 | V54-V123 HydrophobicContact CB-CB 4.43Å; V54-V123 HydrophobicContact CB-CG1 4.27Å; V54-V123 HydrophobicContact CB-CG2 4.41Å; V54-V123 HydrophobicContact CG1-CG1 4.42Å; V54-V123 HydrophobicContact CG2-CB 4.11Å; V54-V123 HydrophobicContact CG2-CG1 4.48Å; V54-V123 HydrophobicContact CG2-CG2 3.8Å; T59-V123 HydrophobicContact CG2-CG1 4.21Å; P119-V123 HydrophobicContact CB-CG2 4.46Å; P119-V123 HydrophobicContact CG-CG2 4.13Å; P119-V123 WeakPolarHBondContact O-CG2 3.43Å; P119-V123 PolarHBondContact O-N 3.27Å; V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.88Å; V123-L126 PolarHBondContact O-N 3.2Å; V123-K127 HydrophobicContact CG1-CD 4.31Å; V123-K127 WeakPolarHBondContact O-CG 3.35Å; V123-K127 PolarHBondContact O-N 3.28Å |
| 124 | G | 92.4 | Very high | 91 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K120 F122 K128 | K120-G124 PolarHBondContact O-N 3.47Å; F122-G124 PolarHBondContact O-N 3.35Å; G124-K128 WeakPolarHBondContact O-CB 3.32Å; G124-K128 PolarHBondContact O-N 3.3Å |
| 125 | R | 93.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 59 Ų | 59 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.5 | -43.7 | 175.6 | -170.2 | 66.8 | -169.7 | -148.2 | -1.8 | 112.7 | E94 L96 C99 K121 F122 V123 K127 K128 E129 | E94-R125 PolarHBondContact O-NH1 3.44Å; E94-R125 PolarHBondContact O-NH2 2.72Å; L96-R125 HydrophobicContact CD1-CB 4.4Å; L96-R125 HydrophobicContact CD1-CG 4.3Å; C99-R125 HydrophobicContact CB-CB 4.41Å; K121-R125 WeakPolarHBondContact O-CB 3.35Å; K121-R125 PolarHBondContact O-N 2.96Å; F122-R125 PolarHBondContact O-N 3.32Å; F122-R125 VanDerWaalsContact O-N 3.16Å; V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.88Å; R125-K127 VanDerWaalsContact C-N 3.33Å; R125-K127 PolarHBondContact O-N 3.06Å; R125-K128 PolarHBondContact O-N 3.4Å; R125-E129 HydrophobicContact CG-CG 4.45Å; R125-E129 IonicContact CZ-OE1 3.01Å; R125-E129 IonicContact NE-OE1 2.73Å; R125-E129 PolarHBondContact NE-OE1 3.37Å; R125-E129 IonicContact NH2-OE1 3.49Å; R125-E129 PolarHBondContact NH2-OE1 3.22Å; R125-E129 PolarHBondContact O-N 2.94Å |
| 126 | L | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55 | -49.7 | 176.7 | 175.8 | 63.4 | 0 | 0 | 0 | 111.1 | L96 F122 V123 K128 E129 N130 F133 F144 Y147 | L96-L126 HydrophobicContact CD1-CB 4.07Å; L96-L126 HydrophobicContact CD1-CD1 4.47Å; L96-L126 HydrophobicContact CD2-CD1 4.37Å; F122-L126 HydrophobicContact CE1-CD2 4.37Å; F122-L126 WeakPolarHBondContact O-CB 3.48Å; F122-L126 PolarHBondContact O-N 3.26Å; V123-L126 PolarHBondContact O-N 3.2Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.39Å; L126-E129 PolarHBondContact O-N 3.19Å; L126-N130 PolarHBondContact O-N 3.32Å; L126-N130 VanDerWaalsContact O-N 3.1Å; L126-F133 HydrophobicContact CD1-CD2 3.66Å; L126-F133 HydrophobicContact CD1-CE2 4.18Å; L126-F133 HydrophobicContact CD1-CG 4.24Å; L126-F133 HydrophobicContact CD2-CB 4.31Å; L126-F133 HydrophobicContact CD2-CG 4.36Å; L126-F133 HydrophobicContact CG-CB 4.05Å; L126-F133 HydrophobicContact CG-CD2 4.11Å; L126-F133 HydrophobicContact CG-CG 4.22Å; L126-F144 HydrophobicContact CD1-CD2 4.27Å; L126-F144 HydrophobicContact CD1-CE2 3.88Å; L126-F144 HydrophobicContact CD2-CD2 3.98Å; L126-F144 HydrophobicContact CD2-CE2 3.53Å; L126-F144 HydrophobicContact CD2-CZ 4.38Å; L126-F144 HydrophobicContact CG-CE2 4.35Å; L126-Y147 HydrophobicContact CD1-CD1 3.94Å; L126-Y147 HydrophobicContact CD1-CE1 3.49Å; L126-Y147 VanDerWaalsContact CD1-CE1 3.49Å |
| 127 | K | 91.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 178.1 | -71.1 | -173 | 163.6 | -145.6 | 0 | 112.7 | V123 R125 D134 N135 | V123-K127 HydrophobicContact CG1-CD 4.31Å; V123-K127 WeakPolarHBondContact O-CG 3.35Å; V123-K127 PolarHBondContact O-N 3.28Å; R125-K127 VanDerWaalsContact C-N 3.33Å; R125-K127 PolarHBondContact O-N 3.06Å; K127-D134 HydrophobicContact CB-CB 4.06Å; K127-D134 HydrophobicContact CG-CB 4.42Å; K127-N135 PolarHBondContact NZ-O 2.89Å |
| 128 | K | 91.7 | Very high | 89.6 | Confident | 164 Ų | 164 | 72.1 Ų | 72.1 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72.4 | -31.2 | 178.7 | -173.6 | 176.9 | 179.6 | -179.9 | 0 | 113.5 | G124 R125 L126 | G124-K128 WeakPolarHBondContact O-CB 3.32Å; G124-K128 PolarHBondContact O-N 3.3Å; R125-K128 PolarHBondContact O-N 3.4Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.39Å |
| 129 | E | 91.5 | Very high | 89.3 | Confident | 63 Ų | 63 | 72 Ų | 72 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -89.4 | -19.8 | -177.2 | -71.9 | -171 | -176.5 | 0 | 0 | 113.4 | L96 R125 L126 | L96-E129 WeakPolarHBondContact CB-OE2 3.2Å; L96-E129 PolarHBondContact N-OE1 3.32Å; R125-E129 HydrophobicContact CG-CG 4.45Å; R125-E129 IonicContact CZ-OE1 3.01Å; R125-E129 IonicContact NE-OE1 2.73Å; R125-E129 PolarHBondContact NE-OE1 3.37Å; R125-E129 IonicContact NH2-OE1 3.49Å; R125-E129 PolarHBondContact NH2-OE1 3.22Å; R125-E129 PolarHBondContact O-N 2.94Å; L126-E129 PolarHBondContact O-N 3.19Å |
| 130 | N | 88.5 | Confident | 89.2 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -148.1 | 111.8 | 179.5 | -178 | -9.6 | 0 | 0 | 0 | 112 | L126 L132 F133 Y147 | L126-N130 PolarHBondContact O-N 3.32Å; L126-N130 VanDerWaalsContact O-N 3.1Å; N130-L132 PolarHBondContact O-N 3.2Å; N130-L132 VanDerWaalsContact OD1-CB 3.24Å; N130-L132 WeakPolarHBondContact OD1-CB 3.36Å; N130-L132 WeakPolarHBondContact OD1-CG 3.13Å; N130-L132 PolarHBondContact OD1-N 3.46Å; N130-F133 HydrophobicContact CB-CD2 3.91Å; N130-F133 HydrophobicContact CB-CE2 4.4Å; N130-F133 VanDerWaalsContact ND2-CE2 3.29Å; N130-F133 WeakPolarHBondContact ND2-CE2 3.48Å; N130-F133 PolarHBondContact O-N 3.04Å; N130-F133 VanDerWaalsContact O-N 3.07Å; N130-Y147 HydrophobicContact CB-CE1 4.3Å; N130-Y147 HydrophobicContact CB-CE2 3.82Å; N130-Y147 WeakPolarHBondContact CB-OH 3.47Å; N130-Y147 WeakPolarHBondContact ND2-CD2 3.47Å; N130-Y147 WeakPolarHBondContact ND2-CE2 3.36Å | ||
| 131 | D | 87.7 | Confident | 89 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -60 | -25.6 | -178.4 | -59.9 | -22 | 0 | 0 | 0 | 113.3 | F133 D134 | D131-F133 PolarHBondContact O-N 2.97Å; D131-D134 PolarHBondContact O-N 3.31Å |
| 132 | L | 86 | Confident | 88.8 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -59.6 | -32.6 | 176.3 | -66.8 | 170 | 0 | 0 | 0 | 111.7 | N130 N135 Q139 | N130-L132 PolarHBondContact O-N 3.2Å; N130-L132 VanDerWaalsContact OD1-CB 3.24Å; N130-L132 WeakPolarHBondContact OD1-CB 3.36Å; N130-L132 WeakPolarHBondContact OD1-CG 3.13Å; N130-L132 PolarHBondContact OD1-N 3.46Å; L132-N135 PolarHBondContact O-ND2 3.44Å; L132-Q139 PolarHBondContact O-NE2 3.41Å |
| 133 | F | 84.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -93.4 | -8.3 | 177.9 | -57.4 | -62.7 | 0 | 0 | 0 | 113 | Y61 L126 N130 D131 N135 Q139 F144 Y147 | Y61-F133 HydrophobicContact CE2-CD1 4.05Å; Y61-F133 HydrophobicContact CE2-CE1 4.22Å; L126-F133 HydrophobicContact CD1-CD2 3.66Å; L126-F133 HydrophobicContact CD1-CE2 4.18Å; L126-F133 HydrophobicContact CD1-CG 4.24Å; L126-F133 HydrophobicContact CD2-CB 4.31Å; L126-F133 HydrophobicContact CD2-CG 4.36Å; L126-F133 HydrophobicContact CG-CB 4.05Å; L126-F133 HydrophobicContact CG-CD2 4.11Å; L126-F133 HydrophobicContact CG-CG 4.22Å; N130-F133 HydrophobicContact CB-CD2 3.91Å; N130-F133 HydrophobicContact CB-CE2 4.4Å; N130-F133 VanDerWaalsContact ND2-CE2 3.29Å; N130-F133 WeakPolarHBondContact ND2-CE2 3.48Å; N130-F133 PolarHBondContact O-N 3.04Å; N130-F133 VanDerWaalsContact O-N 3.07Å; D131-F133 PolarHBondContact O-N 2.97Å; F133-N135 PolarHBondContact O-N 3.44Å; F133-Q139 HydrophobicContact CD1-CB 4.31Å; F133-Q139 HydrophobicContact CD1-CG 4.03Å; F133-Q139 HydrophobicContact CE1-CB 4.36Å; F133-F144 HydrophobicContact CE1-CB 4.07Å; F133-F144 HydrophobicContact CE1-CD2 4.41Å; F133-F144 HydrophobicContact CZ-CB 4.21Å; F133-F144 HydrophobicContact CZ-CD2 4.28Å; F133-Y147 HydrophobicContact CD2-CD1 4.26Å; F133-Y147 HydrophobicContact CD2-CE1 4.4Å; F133-Y147 AromaticContact CE2-CD1 3.5Å; F133-Y147 HydrophobicContact CE2-CD1 3.5Å; F133-Y147 HydrophobicContact CE2-CD2 4.26Å; F133-Y147 HydrophobicContact CE2-CE1 4.05Å; F133-Y147 AromaticContact CE2-CG 3.63Å; F133-Y147 HydrophobicContact CE2-CG 3.63Å; F133-Y147 HydrophobicContact CZ-CD1 4.31Å; F133-Y147 HydrophobicContact CZ-CG 4.27Å |
| 134 | D | 85.7 | Confident | 88.8 | Confident | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -84.8 | 54 | 178.4 | -163.4 | 23 | 0 | 0 | 0 | 112.9 | K127 D131 | K127-D134 HydrophobicContact CB-CB 4.06Å; K127-D134 HydrophobicContact CG-CB 4.42Å; D131-D134 PolarHBondContact O-N 3.31Å |
| 135 | N | 84.3 | Confident | 88.9 | Confident | 57 Ų | 57 | 69 Ų | 69 | 31% | 0.305 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -143.7 | -176.2 | 171.7 | 58.7 | 55.9 | 0 | 0 | 0 | 110.1 | K127 L132 F133 M137 Q139 | K127-N135 PolarHBondContact NZ-O 2.89Å; L132-N135 PolarHBondContact O-ND2 3.44Å; F133-N135 PolarHBondContact O-N 3.44Å; N135-M137 WeakPolarHBondContact OD1-CB 3.41Å; N135-M137 PolarHBondContact OD1-N 3.38Å; N135-Q139 PolarHBondContact ND2-NE2 3.02Å; N135-Q139 PolarHBondContact OD1-NE2 3.33Å |
| 136 | Y | 81.2 | Confident | 88.9 | Confident | 132 Ų | 132 | 69.4 Ų | 69.4 | 52% | 0.518 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102 | 9.7 | 179.7 | -56.2 | -66 | 0 | 0 | 0 | 112.4 | F56 N58 | F56-Y136 HydrophobicContact CB-CD1 3.26Å; F56-Y136 HydrophobicContact CB-CE1 3.17Å; F56-Y136 HydrophobicContact CB-CG 4.44Å; F56-Y136 HydrophobicContact CD1-CD1 4.37Å; F56-Y136 AromaticContact CD1-CE1 3.83Å; F56-Y136 HydrophobicContact CD1-CE1 3.83Å; F56-Y136 AromaticContact CD2-CE1 3.59Å; F56-Y136 HydrophobicContact CD2-CE1 3.59Å; F56-Y136 HydrophobicContact CE2-CE1 4.4Å; F56-Y136 AromaticContact CG-CD1 3.87Å; F56-Y136 HydrophobicContact CG-CD1 3.87Å; F56-Y136 AromaticContact CG-CE1 3.26Å; F56-Y136 HydrophobicContact CG-CE1 3.26Å; F56-Y136 AromaticContact CG-CZ 3.99Å; N58-Y136 PolarHBondContact ND2-O 2.91Å |
| 137 | M | 84.8 | Confident | 89 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -82.2 | 153.4 | -178.2 | -61 | -59.4 | -72.7 | 0 | 0 | 110.8 | N135 | N135-M137 WeakPolarHBondContact OD1-CB 3.41Å; N135-M137 PolarHBondContact OD1-N 3.38Å |
| 138 | Q | 83.7 | Confident | 89.3 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | trans | -66.6 | 136.7 | 165 | -69.6 | -171.3 | 2.6 | 0 | 0 | 108.9 | N58 | N58-Q138 HydrophobicContact CB-CG 3.96Š| ||
| 139 | Q | 87.2 | Confident | 89.5 | Confident | 38 Ų | 38 | 63 Ų | 63 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -113.8 | 157.3 | -177.9 | -59.2 | -66 | -20.4 | 0 | 0 | 109.7 | Y61 L132 F133 N135 A141 | Y61-Q139 WeakPolarHBondContact CB-O 3.23Å; Y61-Q139 HydrophobicContact CD1-CB 3.73Å; Y61-Q139 HydrophobicContact CD1-CG 4.28Å; Y61-Q139 HydrophobicContact CD2-CB 3.9Å; Y61-Q139 HydrophobicContact CE1-CB 3.58Å; Y61-Q139 HydrophobicContact CE1-CG 3.67Å; Y61-Q139 HydrophobicContact CE2-CB 3.79Å; Y61-Q139 HydrophobicContact CE2-CG 4.33Å; Y61-Q139 HydrophobicContact CG-CB 3.89Å; L132-Q139 PolarHBondContact O-NE2 3.41Å; F133-Q139 HydrophobicContact CD1-CB 4.31Å; F133-Q139 HydrophobicContact CD1-CG 4.03Å; F133-Q139 HydrophobicContact CE1-CB 4.36Å; N135-Q139 PolarHBondContact ND2-NE2 3.02Å; N135-Q139 PolarHBondContact OD1-NE2 3.33Å; Q139-A141 PolarHBondContact O-N 3.39Å | ||
| 140 | D | 89.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -71.3 | 124 | 174.1 | -169.2 | -21.4 | 0 | 0 | 0 | 110 | H142 E143 F144 | D140-H142 PolarHBondContact O-N 3.22Å; D140-H142 WeakPolarHBondContact OD1-CB 3.32Å; D140-H142 PolarHBondContact OD1-N 2.91Å; D140-E143 HydrophobicContact CB-CB 3.93Å; D140-E143 PolarHBondContact O-N 3.46Å; D140-F144 PolarHBondContact O-N 3.01Å | ||
| 141 | A | 90.6 | Very high | 90 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S5 V65 Q139 L145 | S5-A141 WeakPolarHBondContact OG-CB 3.37Å; V65-A141 HydrophobicContact CG2-CB 3.89Å; V65-A141 WeakPolarHBondContact CG2-O 3.38Å; Q139-A141 PolarHBondContact O-N 3.39Å; A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 2.96Å |
| 142 | H | 88.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.468 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.3 | 177.6 | -112.2 | 0 | 0 | 0 | 111.3 | D140 L145 N146 | D140-H142 PolarHBondContact O-N 3.22Å; D140-H142 WeakPolarHBondContact OD1-CB 3.32Å; D140-H142 PolarHBondContact OD1-N 2.91Å; H142-L145 PolarHBondContact O-N 3.31Å; H142-N146 PolarHBondContact CE1-ND2 2.95Å; H142-N146 PolarHBondContact ND1-ND2 3.29Å; H142-N146 PolarHBondContact NE2-ND2 3.06Å; H142-N146 PolarHBondContact O-N 3.45Å; H142-N146 PolarHBondContact O-ND2 3.35Å; H142-N146 VanDerWaalsContact O-ND2 3.11Å |
| 143 | E | 92.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.2 | -175.2 | 173.7 | -161.9 | 0 | 0 | 111.1 | D140 L145 N146 Y147 | D140-E143 HydrophobicContact CB-CB 3.93Å; D140-E143 PolarHBondContact O-N 3.46Å; E143-L145 PolarHBondContact O-N 3.23Å; E143-N146 PolarHBondContact O-N 3.44Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 3.29Å |
| 144 | F | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.7 | 172 | -115.3 | 0 | 0 | 0 | 112.7 | Y61 C62 V65 I66 F122 L126 F133 D140 Y147 L148 | Y61-F144 HydrophobicContact CD2-CB 3.64Å; Y61-F144 HydrophobicContact CD2-CD1 4.13Å; Y61-F144 AromaticContact CD2-CG 3.87Å; Y61-F144 HydrophobicContact CD2-CG 3.87Å; Y61-F144 HydrophobicContact CE2-CB 3.76Å; Y61-F144 HydrophobicContact CE2-CD1 4.33Å; Y61-F144 HydrophobicContact CE2-CD2 4.09Å; Y61-F144 AromaticContact CE2-CG 3.78Å; Y61-F144 HydrophobicContact CE2-CG 3.78Å; C62-F144 HydrophobicContact CB-CD1 4.36Å; C62-F144 HydrophobicContact CB-CE1 4.06Å; C62-F144 HydrophobicContact CB-CZ 4.25Å; C62-F144 VanDerWaalsContact SG-CZ 3.55Å; V65-F144 HydrophobicContact CB-CD1 3.62Å; V65-F144 HydrophobicContact CB-CE1 3.67Å; V65-F144 HydrophobicContact CG1-CD1 3.68Å; V65-F144 HydrophobicContact CG1-CE1 3.59Å; V65-F144 HydrophobicContact CG2-CD1 3.9Å; V65-F144 HydrophobicContact CG2-CE1 4.46Å; I66-F144 HydrophobicContact CG1-CE1 4.44Å; F122-F144 HydrophobicContact CE1-CE2 4.22Å; F122-F144 AromaticContact CE1-CZ 3.8Å; F122-F144 HydrophobicContact CE1-CZ 3.8Å; F122-F144 HydrophobicContact CZ-CE2 4.33Å; F122-F144 AromaticContact CZ-CZ 3.94Å; F122-F144 HydrophobicContact CZ-CZ 3.94Å; L126-F144 HydrophobicContact CD1-CD2 4.27Å; L126-F144 HydrophobicContact CD1-CE2 3.88Å; L126-F144 HydrophobicContact CD2-CD2 3.98Å; L126-F144 HydrophobicContact CD2-CE2 3.53Å; L126-F144 HydrophobicContact CD2-CZ 4.38Å; L126-F144 HydrophobicContact CG-CE2 4.35Å; F133-F144 HydrophobicContact CE1-CB 4.07Å; F133-F144 HydrophobicContact CE1-CD2 4.41Å; F133-F144 HydrophobicContact CZ-CB 4.21Å; F133-F144 HydrophobicContact CZ-CD2 4.28Å; D140-F144 PolarHBondContact O-N 3.01Å; F144-Y147 PolarHBondContact O-N 3.36Å; F144-L148 HydrophobicContact CE1-CD2 4.24Å; F144-L148 HydrophobicContact CE2-CB 4.36Å; F144-L148 HydrophobicContact CZ-CB 4.46Å; F144-L148 HydrophobicContact CZ-CD2 3.87Å; F144-L148 VanDerWaalsContact O-CB 3.26Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 PolarHBondContact O-N 2.69Å |
| 145 | L | 94.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 177.7 | 174.3 | 65.7 | 0 | 0 | 0 | 111.6 | L8 V65 L69 A141 H142 E143 L148 L149 | L8-L145 HydrophobicContact CD1-CD2 3.35Å; L8-L145 HydrophobicContact CD2-CD2 4.06Å; L8-L145 HydrophobicContact CG-CD2 4.31Å; V65-L145 HydrophobicContact CG1-CB 4.03Å; V65-L145 HydrophobicContact CG1-CD1 3.84Å; V65-L145 HydrophobicContact CG2-CB 4.41Å; L69-L145 HydrophobicContact CD1-CD1 4.13Å; L69-L145 HydrophobicContact CD2-CD1 4.04Å; L69-L145 HydrophobicContact CG-CD1 4.28Å; A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 2.96Å; H142-L145 PolarHBondContact O-N 3.31Å; E143-L145 PolarHBondContact O-N 3.23Å; L145-L148 PolarHBondContact O-N 3.03Å; L145-L149 HydrophobicContact CD1-CD1 3.82Å; L145-L149 HydrophobicContact CD1-CG 3.91Å; L145-L149 HydrophobicContact CG-CD1 4.12Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.9Å |
| 146 | N | 94 | Very high | 92.2 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | -180 | -76.5 | -43.1 | 0 | 0 | 0 | 111.3 | H142 E143 L148 L149 N150 | H142-N146 PolarHBondContact CE1-ND2 2.95Å; H142-N146 PolarHBondContact ND1-ND2 3.29Å; H142-N146 PolarHBondContact NE2-ND2 3.06Å; H142-N146 PolarHBondContact O-N 3.45Å; H142-N146 PolarHBondContact O-ND2 3.35Å; H142-N146 VanDerWaalsContact O-ND2 3.11Å; E143-N146 PolarHBondContact O-N 3.44Å; N146-L148 VanDerWaalsContact C-N 3.33Å; N146-L148 PolarHBondContact O-N 2.83Å; N146-L149 PolarHBondContact O-N 3.35Å; N146-N150 WeakPolarHBondContact O-CB 3.41Å; N146-N150 VanDerWaalsContact O-CG 3.26Å; N146-N150 PolarHBondContact O-N 3.12Å; N146-N150 PolarHBondContact O-ND2 3.31Å |
| 147 | Y | 95.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.1 | -48.6 | 174.4 | 171.1 | -98.7 | 0 | 0 | 0 | 111.5 | L96 L126 N130 F133 E143 F144 T151 | L96-Y147 HydrophobicContact CD2-CE1 3.79Å; L126-Y147 HydrophobicContact CD1-CD1 3.94Å; L126-Y147 HydrophobicContact CD1-CE1 3.49Å; L126-Y147 VanDerWaalsContact CD1-CE1 3.49Å; N130-Y147 HydrophobicContact CB-CE1 4.3Å; N130-Y147 HydrophobicContact CB-CE2 3.82Å; N130-Y147 WeakPolarHBondContact CB-OH 3.47Å; N130-Y147 WeakPolarHBondContact ND2-CD2 3.47Å; N130-Y147 WeakPolarHBondContact ND2-CE2 3.36Å; F133-Y147 HydrophobicContact CD2-CD1 4.26Å; F133-Y147 HydrophobicContact CD2-CE1 4.4Å; F133-Y147 AromaticContact CE2-CD1 3.5Å; F133-Y147 HydrophobicContact CE2-CD1 3.5Å; F133-Y147 HydrophobicContact CE2-CD2 4.26Å; F133-Y147 HydrophobicContact CE2-CE1 4.05Å; F133-Y147 AromaticContact CE2-CG 3.63Å; F133-Y147 HydrophobicContact CE2-CG 3.63Å; F133-Y147 HydrophobicContact CZ-CD1 4.31Å; F133-Y147 HydrophobicContact CZ-CG 4.27Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 3.29Å; F144-Y147 PolarHBondContact O-N 3.36Å; Y147-T151 WeakPolarHBondContact CE2-OG1 3.28Å; Y147-T151 VanDerWaalsContact O-CB 3.27Å; Y147-T151 WeakPolarHBondContact O-CB 3.34Å; Y147-T151 PolarHBondContact O-N 3.15Å; Y147-T151 PolarHBondContact O-OG1 3.16Å |
| 148 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | -177.7 | 179.2 | 60.1 | 0 | 0 | 0 | 111.8 | L69 L96 L100 F122 F144 L145 N146 T151 V152 | L69-L148 HydrophobicContact CD1-CD2 3.54Å; L96-L148 HydrophobicContact CD2-CD1 3.66Å; L96-L148 HydrophobicContact CG-CD1 4.07Å; L100-L148 HydrophobicContact CD2-CD1 4.48Å; F122-L148 HydrophobicContact CE2-CD1 4.2Å; F122-L148 HydrophobicContact CZ-CD1 3.94Å; F122-L148 HydrophobicContact CZ-CD2 4.38Å; F144-L148 HydrophobicContact CE1-CD2 4.24Å; F144-L148 HydrophobicContact CE2-CB 4.36Å; F144-L148 HydrophobicContact CZ-CB 4.46Å; F144-L148 HydrophobicContact CZ-CD2 3.87Å; F144-L148 VanDerWaalsContact O-CB 3.26Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 PolarHBondContact O-N 2.69Å; L145-L148 PolarHBondContact O-N 3.03Å; N146-L148 VanDerWaalsContact C-N 3.33Å; N146-L148 PolarHBondContact O-N 2.83Å; L148-T151 PolarHBondContact O-N 3.35Å; L148-V152 HydrophobicContact CD1-CG2 4.15Å; L148-V152 VanDerWaalsContact O-CG2 3.23Å; L148-V152 WeakPolarHBondContact O-CG2 3.2Å; L148-V152 PolarHBondContact O-N 3.28Å |
| 149 | L | 96.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | -178.6 | -69.3 | -178.4 | 0 | 0 | 0 | 112 | L69 F75 L145 N146 V152 A153 V213 F217 | L69-L149 HydrophobicContact CD2-CD2 4.29Å; F75-L149 HydrophobicContact CE2-CD2 4.13Å; F75-L149 HydrophobicContact CZ-CD2 4.49Å; L145-L149 HydrophobicContact CD1-CD1 3.82Å; L145-L149 HydrophobicContact CD1-CG 3.91Å; L145-L149 HydrophobicContact CG-CD1 4.12Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.9Å; N146-L149 PolarHBondContact O-N 3.35Å; L149-V152 PolarHBondContact O-N 3.4Å; L149-A153 WeakPolarHBondContact O-CB 3.21Å; L149-A153 PolarHBondContact O-N 3.08Å; L149-V213 HydrophobicContact CD2-CG1 4.29Å; L149-F217 HydrophobicContact CD1-CB 4.47Å; L149-F217 HydrophobicContact CD1-CD2 3.99Å; L149-F217 HydrophobicContact CD1-CE2 4.31Å; L149-F217 HydrophobicContact CD1-CG 4.11Å; L149-F217 HydrophobicContact CD2-CD2 3.78Å; L149-F217 HydrophobicContact CD2-CE2 3.59Å; L149-F217 HydrophobicContact CD2-CZ 4.39Å |
| 150 | N | 94.9 | Very high | 93.5 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.2 | -70.7 | -24.2 | 0 | 0 | 0 | 111.2 | N146 V152 A153 D154 | N146-N150 WeakPolarHBondContact O-CB 3.41Å; N146-N150 VanDerWaalsContact O-CG 3.26Å; N146-N150 PolarHBondContact O-N 3.12Å; N146-N150 PolarHBondContact O-ND2 3.31Å; N150-V152 VanDerWaalsContact C-N 3.33Å; N150-V152 PolarHBondContact O-N 3.14Å; N150-A153 WeakPolarHBondContact O-CB 3.31Å; N150-A153 PolarHBondContact O-N 3.27Å; N150-A153 VanDerWaalsContact O-N 3.11Å; N150-D154 PolarHBondContact O-N 3.17Å |
| 151 | T | 96 | Very high | 93.3 | Very high | 21 Ų | 21 | 47 Ų | 47 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | L96 Y147 L148 D154 I155 | L96-T151 HydrophobicContact CB-CG2 4.27Å; L96-T151 HydrophobicContact CD2-CG2 3.96Å; Y147-T151 WeakPolarHBondContact CE2-OG1 3.28Å; Y147-T151 VanDerWaalsContact O-CB 3.27Å; Y147-T151 WeakPolarHBondContact O-CB 3.34Å; Y147-T151 PolarHBondContact O-N 3.15Å; Y147-T151 PolarHBondContact O-OG1 3.16Å; L148-T151 PolarHBondContact O-N 3.35Å; T151-D154 PolarHBondContact O-N 3.04Å; T151-I155 HydrophobicContact CG2-CD1 3.97Å; T151-I155 WeakPolarHBondContact O-CD1 3.16Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.37Å |
| 152 | V | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L97 L148 L149 N150 L156 W212 V213 | L97-V152 HydrophobicContact CB-CG2 4.38Å; L97-V152 HydrophobicContact CD1-CG1 3.75Å; L97-V152 HydrophobicContact CD1-CG2 4.11Å; L97-V152 HydrophobicContact CD2-CG1 4.09Å; L97-V152 HydrophobicContact CG-CG1 4.37Å; L148-V152 HydrophobicContact CD1-CG2 4.15Å; L148-V152 VanDerWaalsContact O-CG2 3.23Å; L148-V152 WeakPolarHBondContact O-CG2 3.2Å; L148-V152 PolarHBondContact O-N 3.28Å; L149-V152 PolarHBondContact O-N 3.4Å; N150-V152 VanDerWaalsContact C-N 3.33Å; N150-V152 PolarHBondContact O-N 3.14Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 WeakPolarHBondContact O-CD1 3.45Å; V152-L156 VanDerWaalsContact O-CG 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.33Å; V152-L156 PolarHBondContact O-N 2.93Å; V152-W212 HydrophobicContact CG1-CH2 4.04Å; V152-W212 HydrophobicContact CG1-CZ2 4.26Å; V152-V213 HydrophobicContact CB-CG2 4.34Å; V152-V213 HydrophobicContact CG1-CG2 3.58Å |
| 153 | A | 95.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 N150 L156 L157 V213 | L149-A153 WeakPolarHBondContact O-CB 3.21Å; L149-A153 PolarHBondContact O-N 3.08Å; N150-A153 WeakPolarHBondContact O-CB 3.31Å; N150-A153 PolarHBondContact O-N 3.27Å; N150-A153 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 2.84Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 2.95Å; A153-V213 HydrophobicContact CB-CB 4.44Å; A153-V213 HydrophobicContact CB-CG1 4.46Å |
| 154 | D | 95 | Very high | 92.1 | Very high | 93 Ų | 93 | 54 Ų | 54 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.8 | -71.7 | -24.3 | 0 | 0 | 0 | 112 | N150 T151 L156 L157 E158 | N150-D154 PolarHBondContact O-N 3.17Å; T151-D154 PolarHBondContact O-N 3.04Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.01Å; D154-L157 WeakPolarHBondContact O-CB 3.27Å; D154-L157 PolarHBondContact O-N 2.85Å; D154-L157 VanDerWaalsContact O-N 3.09Å; D154-E158 WeakPolarHBondContact O-CG 3.16Å; D154-E158 PolarHBondContact O-N 3.49Å |
| 155 | I | 94.5 | Very high | 91.4 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -47.1 | 175.5 | -72.1 | 164.9 | 0 | 0 | 0 | 110.9 | N95 L97 T151 L157 E158 E159 | N95-I155 HydrophobicContact CB-CD1 4.01Å; N95-I155 WeakPolarHBondContact ND2-CG2 3.2Å; L97-I155 HydrophobicContact CB-CD1 3.87Å; L97-I155 HydrophobicContact CB-CG2 4.29Å; L97-I155 HydrophobicContact CD2-CG2 3.98Å; T151-I155 HydrophobicContact CG2-CD1 3.97Å; T151-I155 WeakPolarHBondContact O-CD1 3.16Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.22Å; T151-I155 PolarHBondContact O-N 3.37Å; I155-L157 VanDerWaalsContact C-N 3.29Å; I155-L157 PolarHBondContact O-N 2.77Å; I155-E158 PolarHBondContact O-N 2.77Å; I155-E159 WeakPolarHBondContact O-CG 3.18Å; I155-E159 PolarHBondContact O-N 3.36Å; I155-E159 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 94.1 | Very high | 90.3 | Very high | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -32.5 | -180 | -67.1 | 166.4 | 0 | 0 | 0 | 112.2 | Y82 L97 V152 A153 D154 K160 T211 W212 V213 | Y82-L156 HydrophobicContact CD2-CD2 4.3Å; Y82-L156 HydrophobicContact CE2-CD2 4.29Å; L97-L156 HydrophobicContact CD2-CD2 3.89Å; L97-L156 HydrophobicContact CD2-CG 4.09Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 WeakPolarHBondContact O-CD1 3.45Å; V152-L156 VanDerWaalsContact O-CG 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.33Å; V152-L156 PolarHBondContact O-N 2.93Å; A153-L156 PolarHBondContact O-N 2.84Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-L156 PolarHBondContact O-N 3.01Å; L156-K160 WeakPolarHBondContact O-CB 3.36Å; L156-K160 PolarHBondContact O-N 3.3Å; L156-K160 VanDerWaalsContact O-N 3.07Å; L156-T211 HydrophobicContact CB-CG2 3.88Å; L156-W212 HydrophobicContact CD1-CD2 4.09Å; L156-W212 HydrophobicContact CD1-CG 4.44Å; L156-W212 HydrophobicContact CD1-CH2 4.38Å; L156-W212 HydrophobicContact CD1-CZ2 3.55Å; L156-W212 VanDerWaalsContact CD1-NE1 3.3Å; L156-W212 HydrophobicContact CD2-CZ2 4.27Å; L156-W212 HydrophobicContact CG-CZ2 4.46Å; L156-V213 HydrophobicContact CD1-CG2 3.65Å |
| 157 | L | 92.8 | Very high | 89.2 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70 | -42.4 | 175.6 | -76.8 | 170 | 0 | 0 | 0 | 112.4 | A153 D154 I155 E159 K160 R161 D209 T211 | A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 2.95Å; D154-L157 WeakPolarHBondContact O-CB 3.27Å; D154-L157 PolarHBondContact O-N 2.85Å; D154-L157 VanDerWaalsContact O-N 3.09Å; I155-L157 VanDerWaalsContact C-N 3.29Å; I155-L157 PolarHBondContact O-N 2.77Å; L157-E159 VanDerWaalsContact C-N 3.34Å; L157-K160 PolarHBondContact O-N 2.86Å; L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 VanDerWaalsContact O-CG 3.29Å; L157-R161 WeakPolarHBondContact O-CG 3.42Å; L157-R161 PolarHBondContact O-N 3.46Å; L157-D209 HydrophobicContact CD1-CB 4.12Å; L157-D209 VanDerWaalsContact CD2-CA 3.42Å; L157-D209 HydrophobicContact CD2-CB 3.82Å; L157-D209 VanDerWaalsContact CD2-O 3.25Å; L157-D209 WeakPolarHBondContact CD2-O 3.32Å; L157-T211 HydrophobicContact CD1-CG2 4.4Å; L157-T211 HydrophobicContact CD2-CG2 3.73Å; L157-T211 HydrophobicContact CG-CG2 3.58Å |
| 158 | E | 91.4 | Very high | 87.6 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.3 | -72.9 | -175.8 | 174.9 | 0 | 0 | 111.5 | K93 D154 I155 R161 H162 | K93-E158 IonicContact NZ-OE2 3.62Å; D154-E158 WeakPolarHBondContact O-CG 3.16Å; D154-E158 PolarHBondContact O-N 3.49Å; I155-E158 PolarHBondContact O-N 2.77Å; E158-R161 PolarHBondContact O-N 3.04Å; E158-H162 PolarHBondContact O-N 2.88Å |
| 159 | E | 89.5 | Confident | 85.7 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 177.5 | -72.1 | 177.5 | 176.8 | 0 | 0 | 111.8 | Y82 I155 L157 R161 H162 D163 | Y82-E159 WeakPolarHBondContact CE2-OE2 3.43Å; Y82-E159 PolarHBondContact OH-OE1 2.91Å; I155-E159 WeakPolarHBondContact O-CG 3.18Å; I155-E159 PolarHBondContact O-N 3.36Å; I155-E159 VanDerWaalsContact O-N 3.09Å; L157-E159 VanDerWaalsContact C-N 3.34Å; E159-R161 PolarHBondContact O-N 3.49Å; E159-H162 WeakPolarHBondContact O-CB 3.26Å; E159-H162 PolarHBondContact O-N 3.49Å; E159-D163 PolarHBondContact O-N 2.87Å |
| 160 | K | 89.3 | Confident | 83.8 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 176.6 | -172.1 | -175.9 | -173.2 | -173.1 | 0 | 112.4 | L156 L157 K164 A208 R210 | L156-K160 WeakPolarHBondContact O-CB 3.36Å; L156-K160 PolarHBondContact O-N 3.3Å; L156-K160 VanDerWaalsContact O-N 3.07Å; L157-K160 PolarHBondContact O-N 2.86Å; K160-K164 WeakPolarHBondContact O-CG 3.47Å; K160-K164 PolarHBondContact O-N 3.25Å; K160-A208 PolarHBondContact NZ-O 3.1Å; K160-R210 PolarHBondContact NZ-O 3.42Å |
| 161 | R | 87.3 | Confident | 81.9 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.7 | -36.2 | 175.7 | -74.7 | 174.5 | 173.5 | -177 | 2.4 | 111.7 | L157 E158 E159 R165 D209 | L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 VanDerWaalsContact O-CG 3.29Å; L157-R161 WeakPolarHBondContact O-CG 3.42Å; L157-R161 PolarHBondContact O-N 3.46Å; E158-R161 PolarHBondContact O-N 3.04Å; E159-R161 PolarHBondContact O-N 3.49Å; R161-R165 WeakPolarHBondContact O-CG 3.39Å; R161-R165 PolarHBondContact O-N 2.9Å; R161-D209 IonicContact CZ-OD1 3.86Å; R161-D209 IonicContact NE-OD1 3.92Å; R161-D209 IonicContact NH2-OD1 3.59Å; R161-D209 PolarHBondContact NH2-OD1 3.4Å; R161-D209 IonicContact NH2-OD2 2.79Å; R161-D209 PolarHBondContact NH2-OD2 3.05Å |
| 162 | H | 83.7 | Confident | 79.9 | Confident | 108 Ų | 108 | 88.9 Ų | 88.9 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.6 | -157.3 | -75.7 | 0 | 0 | 0 | 111.7 | E158 E159 K164 R165 N166 | E158-H162 PolarHBondContact O-N 2.88Å; E159-H162 WeakPolarHBondContact O-CB 3.26Å; E159-H162 PolarHBondContact O-N 3.49Å; H162-K164 PolarHBondContact O-N 3.26Å; H162-R165 PolarHBondContact O-N 2.96Å; H162-N166 PolarHBondContact ND1-ND2 3.2Å; H162-N166 PolarHBondContact O-N 3.03Å; H162-N166 VanDerWaalsContact O-N 3.12Å |
| 163 | D | 81.4 | Confident | 77.7 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 177.6 | -70.9 | -20.3 | 0 | 0 | 0 | 112.5 | E159 R165 N166 V167 | E159-D163 PolarHBondContact O-N 2.87Å; D163-R165 VanDerWaalsContact C-N 3.31Å; D163-R165 PolarHBondContact O-N 3.09Å; D163-N166 PolarHBondContact O-N 3.02Å; D163-V167 WeakPolarHBondContact O-CG2 3.43Å; D163-V167 PolarHBondContact O-N 3.13Å; D163-V167 VanDerWaalsContact O-N 3.09Å |
| 164 | K | 81.1 | Confident | 75.4 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.8 | -73.4 | 179.8 | 178.3 | -174.7 | 0 | 112.9 | K160 H162 S168 | K160-K164 WeakPolarHBondContact O-CG 3.47Å; K160-K164 PolarHBondContact O-N 3.25Å; H162-K164 PolarHBondContact O-N 3.26Å; K164-S168 PolarHBondContact O-N 3.32Å; K164-S168 PolarHBondContact O-OG 3.39Å |
| 165 | R | 78.9 | Confident | 73.3 | Confident | 177 Ų | 177 | 99.5 Ų | 99.5 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69 | -41 | 177.2 | -70.3 | 177 | -168.3 | 170.9 | 3.8 | 111.3 | R161 H162 D163 V167 S168 G169 | R161-R165 WeakPolarHBondContact O-CG 3.39Å; R161-R165 PolarHBondContact O-N 2.9Å; H162-R165 PolarHBondContact O-N 2.96Å; D163-R165 VanDerWaalsContact C-N 3.31Å; D163-R165 PolarHBondContact O-N 3.09Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.41Å; R165-S168 PolarHBondContact O-N 3.38Å; R165-S168 PolarHBondContact O-OG 3.41Å; R165-G169 PolarHBondContact O-N 3.48Å |
| 166 | N | 72.5 | Confident | 71 | Confident | 98 Ų | 98 | 107.9 Ų | 107.9 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.5 | -37.3 | 177.8 | -72.2 | -11.8 | 0 | 0 | 0 | 112.4 | H162 D163 | H162-N166 PolarHBondContact ND1-ND2 3.2Å; H162-N166 PolarHBondContact O-N 3.03Å; H162-N166 VanDerWaalsContact O-N 3.12Å; D163-N166 PolarHBondContact O-N 3.02Å |
| 167 | V | 69.7 | Low | 68.9 | Low | 97 Ų | 97 | 116 Ų | 116 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -40.8 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | D163 R165 G169 M170 | D163-V167 WeakPolarHBondContact O-CG2 3.43Å; D163-V167 PolarHBondContact O-N 3.13Å; D163-V167 VanDerWaalsContact O-N 3.09Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.41Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.25Å; V167-M170 PolarHBondContact O-N 3.37Å |
| 168 | S | 64 | Low | 66.4 | Low | 72 Ų | 72 | 122 Ų | 122 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.9 | -21.8 | -178.6 | 50.8 | 0 | 0 | 0 | 0 | 114 | K164 R165 M170 | K164-S168 PolarHBondContact O-N 3.32Å; K164-S168 PolarHBondContact O-OG 3.39Å; R165-S168 PolarHBondContact O-N 3.38Å; R165-S168 PolarHBondContact O-OG 3.41Å; S168-M170 VanDerWaalsContact C-N 3.32Å |
| 169 | G | 56.7 | Low | 64.2 | Low | 57 Ų | 57 | 121.4 Ų | 121.4 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -24.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R165 V167 | R165-G169 PolarHBondContact O-N 3.48Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.25Å |
| 170 | M | 54.5 | Low | 62.1 | Low | 153 Ų | 153 | 126.2 Ų | 126.2 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -84.3 | -18.1 | -174 | -156.3 | 77.4 | 83.1 | 0 | 0 | 113.9 | V167 S168 | V167-M170 PolarHBondContact O-N 3.37Å; S168-M170 VanDerWaalsContact C-N 3.32Å |
| 171 | Q | 55 | Low | 60.2 | Low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -95.8 | -2.6 | -172.9 | -68.4 | -175.3 | -5.6 | 0 | 0 | 115.1 | ||
| 172 | K | 54.3 | Low | 58.2 | Low | 196 Ų | 196 | 125.8 Ų | 125.8 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -92.8 | 1.1 | -177.5 | -80.2 | -173.6 | 176.1 | -178.7 | 0 | 115.6 | ||
| 173 | S | 49.5 | Very low | 56.4 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -102 | 7.3 | -176.8 | 36.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 174 | S | 49.3 | Very low | 54.5 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.8 | 49.6 | 179.5 | -148.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 175 | A | 49.1 | Very low | 52.4 | Low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -138.8 | 68.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 176 | K | 47.2 | Very low | 50.5 | Low | 193 Ų | 193 | 122 Ų | 122 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -147.4 | 125.8 | 168.7 | -165.4 | 165.9 | -177.2 | 177.5 | 0 | 107.3 | ||||
| 177 | Q | 50.4 | Low | 48.9 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 100 | -167.2 | -52.4 | 167.6 | 44 | 0 | 0 | 110.5 | ||||
| 178 | T | 40.4 | Very low | 47.5 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | -145.7 | 138.8 | 74.9 | 39.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 179 | A | 45.4 | Very low | 46.3 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -86.7 | 135.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 180 | D | 43.6 | Very low | 46 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -166.6 | 148.6 | 130.5 | -156.9 | 5.1 | 0 | 0 | 0 | 110.8 | ||||
| 181 | S | 51.4 | Low | 45.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -80.6 | 152.3 | -172.5 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 182 | G | 44.6 | Very low | 44.7 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 166.6 | 81.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 183 | N | 44.6 | Very low | 44.2 | Very low | 147 Ų | 147 | 129 Ų | 129 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | 68.2 | 102.7 | 132 | -156 | 51.8 | 0 | 0 | 0 | 121.5 | ||||
| 184 | T | 41.4 | Very low | 43.8 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | 54.6 | 121 | 117.8 | -35.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 185 | G | 38.1 | Very low | 43.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 115.2 | 114.2 | 134.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 186 | G | 38.1 | Very low | 43.7 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | 148.9 | 73.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 187 | T | 40.3 | Very low | 43.4 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -63.8 | 135.6 | 163.3 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | T | 39.8 | Very low | 43.4 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -162.2 | 119.3 | 140.7 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | F | 39.5 | Very low | 43.7 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -60.7 | 159.1 | 166.9 | -85.5 | -113.6 | 0 | 0 | 0 | 111.5 | ||||
| 190 | V | 50.1 | Low | 43.9 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | 169.5 | 125.5 | 124.9 | 160.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 191 | S | 44.4 | Very low | 44.4 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 55.2 | 100.7 | 148.6 | -66.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 192 | G | 36.6 | Very low | 44.5 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | 42.3 | 96.3 | 96.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 193 | K | 45.3 | Very low | 45.1 | Very low | 199 Ų | 199 | 124.7 Ų | 124.7 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | -132.3 | 110.5 | 147.2 | -75.8 | -174.3 | 178.5 | 174.4 | 0 | 109.3 | V195 | K193-V195 PolarHBondContact O-N 2.96Š| ||
| 194 | N | 40 | Very low | 45.7 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -60.1 | 109.9 | 170.7 | -167.2 | -0.4 | 0 | 0 | 0 | 108.9 | ||||
| 195 | V | 49.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | -103 | 114.6 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | K193 P197 | K193-V195 PolarHBondContact O-N 2.96Å; V195-P197 WeakPolarHBondContact O-CD 3.49Å | ||
| 196 | Q | 47 | Very low | 48 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -57.9 | 120.7 | 175.8 | -64.6 | 179.5 | 12.1 | 0 | 0 | 110.5 | G198 | Q196-G198 PolarHBondContact O-N 3.26Š| ||
| 197 | P | 41.2 | Very low | 49.6 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -94.2 | 92.1 | 175.8 | 33.2 | -24.8 | 0 | 0 | 0 | 108.6 | V195 | V195-P197 WeakPolarHBondContact O-CD 3.49Š| ||
| 198 | G | 49.8 | Very low | 51.3 | Low | 51 Ų | 51 | 128.3 Ų | 128.3 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -144.4 | -46.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q196 | Q196-G198 PolarHBondContact O-N 3.26Š|
| 199 | Q | 46.4 | Very low | 53.3 | Low | 177 Ų | 177 | 123.5 Ų | 123.5 | 83% | 0.827 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -102.7 | -21.9 | -170.5 | -66.6 | 175.3 | -13.2 | 0 | 0 | 113.7 | ||
| 200 | N | 50.9 | Low | 55.6 | Low | 117 Ų | 117 | 120.7 Ų | 120.7 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.1 | -22.9 | -180 | -89.3 | -23.7 | 0 | 0 | 0 | 114.5 | Q204 | N200-Q204 WeakPolarHBondContact O-CB 3.33Å; N200-Q204 WeakPolarHBondContact O-CG 3.32Å; N200-Q204 PolarHBondContact O-N 3.41Å |
| 201 | A | 54.2 | Low | 57.7 | Low | 70 Ų | 70 | 115 Ų | 115 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.7 | -37.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K205 | A201-K205 WeakPolarHBondContact O-CB 3.5Å; A201-K205 PolarHBondContact O-N 2.77Å |
| 202 | Q | 52.3 | Low | 60.1 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 66% | 0.659 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -46.6 | -176.2 | -148.1 | 157 | -13.8 | 0 | 0 | 110.9 | Q204 K205 E206 | Q202-Q204 VanDerWaalsContact C-N 3.28Å; Q202-Q204 PolarHBondContact O-N 3.16Å; Q202-K205 PolarHBondContact O-N 2.94Å; Q202-E206 WeakPolarHBondContact O-CG 3.25Å; Q202-E206 PolarHBondContact O-N 3.21Å |
| 203 | S | 57.3 | Low | 62.8 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -29.8 | 175.6 | -46.3 | 0 | 0 | 0 | 0 | 113.3 | R207 | S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 3.31Å |
| 204 | Q | 57.9 | Low | 65 | Low | 130 Ų | 130 | 101.2 Ų | 101.2 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.5 | -39.6 | 174.7 | -76.7 | -179.4 | 6.4 | 0 | 0 | 112.5 | N200 Q202 R207 A208 | N200-Q204 WeakPolarHBondContact O-CB 3.33Å; N200-Q204 WeakPolarHBondContact O-CG 3.32Å; N200-Q204 PolarHBondContact O-N 3.41Å; Q202-Q204 VanDerWaalsContact C-N 3.28Å; Q202-Q204 PolarHBondContact O-N 3.16Å; Q204-R207 PolarHBondContact O-N 2.94Å; Q204-A208 PolarHBondContact O-N 3.18Å; Q204-A208 VanDerWaalsContact O-N 3.12Å |
| 205 | K | 63.1 | Low | 67.4 | Low | 143 Ų | 143 | 97.9 Ų | 97.9 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 176.7 | -169.8 | 179.5 | 178 | -172.5 | 0 | 111.4 | A201 Q202 R207 A208 D209 | A201-K205 WeakPolarHBondContact O-CB 3.5Å; A201-K205 PolarHBondContact O-N 2.77Å; Q202-K205 PolarHBondContact O-N 2.94Å; K205-R207 VanDerWaalsContact C-N 3.31Å; K205-R207 PolarHBondContact O-N 3.11Å; K205-A208 PolarHBondContact O-N 3.34Å; K205-A208 VanDerWaalsContact O-N 3.09Å; K205-D209 PolarHBondContact O-N 3.43Å; K205-D209 VanDerWaalsContact O-N 3.07Å |
| 206 | E | 65.3 | Low | 69.4 | Low | 118 Ų | 118 | 94.3 Ų | 94.3 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.8 | -39 | 176.6 | -74.6 | 175.2 | 173.9 | 0 | 0 | 112.6 | Q202 R210 | Q202-E206 WeakPolarHBondContact O-CG 3.25Å; Q202-E206 PolarHBondContact O-N 3.21Å; E206-R210 PolarHBondContact O-N 3.01Å |
| 207 | R | 70.8 | Confident | 71.5 | Confident | 203 Ų | 203 | 88.5 Ų | 88.5 | 77% | 0.766 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.3 | -36.1 | 174.9 | -74.6 | -178.5 | -179.1 | -173.4 | 1.7 | 112.8 | S203 Q204 K205 | S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 3.31Å; Q204-R207 PolarHBondContact O-N 2.94Å; K205-R207 VanDerWaalsContact C-N 3.31Å; K205-R207 PolarHBondContact O-N 3.11Å |
| 208 | A | 75 | Confident | 73.7 | Confident | 47 Ų | 47 | 87.2 Ų | 87.2 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K160 Q204 K205 R210 | K160-A208 PolarHBondContact NZ-O 3.1Å; Q204-A208 PolarHBondContact O-N 3.18Å; Q204-A208 VanDerWaalsContact O-N 3.12Å; K205-A208 PolarHBondContact O-N 3.34Å; K205-A208 VanDerWaalsContact O-N 3.09Å; A208-R210 VanDerWaalsContact C-N 3.32Å; A208-R210 PolarHBondContact O-N 3.16Å |
| 209 | D | 82.9 | Confident | 75.4 | Confident | 40 Ų | 40 | 87.7 Ų | 87.7 | 21% | 0.214 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 18.7 | -177.5 | -65.8 | -32.6 | 0 | 0 | 0 | 113.1 | L157 R161 K205 H214 | L157-D209 HydrophobicContact CD1-CB 4.12Å; L157-D209 VanDerWaalsContact CD2-CA 3.42Å; L157-D209 HydrophobicContact CD2-CB 3.82Å; L157-D209 VanDerWaalsContact CD2-O 3.25Å; L157-D209 WeakPolarHBondContact CD2-O 3.32Å; R161-D209 IonicContact CZ-OD1 3.86Å; R161-D209 IonicContact NE-OD1 3.92Å; R161-D209 IonicContact NH2-OD1 3.59Å; R161-D209 PolarHBondContact NH2-OD1 3.4Å; R161-D209 IonicContact NH2-OD2 2.79Å; R161-D209 PolarHBondContact NH2-OD2 3.05Å; K205-D209 PolarHBondContact O-N 3.43Å; K205-D209 VanDerWaalsContact O-N 3.07Å; D209-H214 PolarHBondContact O-CE1 2.74Å |
| 210 | R | 88.2 | Confident | 77.2 | Confident | 131 Ų | 131 | 85.9 Ų | 85.9 | 49% | 0.494 | 45% | 0.447 | S | S | . | . | trans | -78.1 | 134.1 | 174 | -163.6 | 169.5 | 172 | 158.1 | 0.7 | 112 | K160 E206 A208 H214 D215 | K160-R210 PolarHBondContact NZ-O 3.42Å; E206-R210 PolarHBondContact O-N 3.01Å; A208-R210 VanDerWaalsContact C-N 3.32Å; A208-R210 PolarHBondContact O-N 3.16Å; R210-H214 HydrophobicContact CG-CB 4.02Å; R210-D215 IonicContact CZ-OD1 2.71Å; R210-D215 IonicContact NE-OD1 3.56Å; R210-D215 PolarHBondContact NE-OD1 3.12Å; R210-D215 IonicContact NH2-OD1 3.55Å; R210-D215 PolarHBondContact NH2-OD1 2.95Å | ||
| 211 | T | 93.3 | Very high | 78.6 | Confident | 11 Ų | 11 | 86.9 Ų | 86.9 | 7% | 0.067 | 45% | 0.452 | C | S | . | . | trans | -125.2 | 169.3 | 176.7 | 71 | 0 | 0 | 0 | 0 | 110.6 | L156 L157 V213 H214 D215 | L156-T211 HydrophobicContact CB-CG2 3.88Å; L157-T211 HydrophobicContact CD1-CG2 4.4Å; L157-T211 HydrophobicContact CD2-CG2 3.73Å; L157-T211 HydrophobicContact CG-CG2 3.58Å; T211-V213 PolarHBondContact O-N 3.02Å; T211-V213 PolarHBondContact OG1-N 3.37Å; T211-H214 PolarHBondContact N-ND1 3.38Å; T211-H214 VanDerWaalsContact N-ND1 3.18Å; T211-H214 VanDerWaalsContact O-CB 3.31Å; T211-H214 WeakPolarHBondContact O-CB 3.42Å; T211-H214 PolarHBondContact O-N 2.79Å; T211-H214 PolarHBondContact OG1-ND1 2.88Å; T211-D215 PolarHBondContact O-N 2.91Å | ||
| 212 | W | 94.1 | Very high | 80.2 | Confident | 39 Ų | 39 | 89 Ų | 89 | 15% | 0.148 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.7 | -19.5 | 176.8 | 60.4 | -103.1 | 0 | 0 | 0 | 113.1 | F75 R78 V79 V152 L156 D215 V216 | F75-W212 HydrophobicContact CD2-CH2 4.25Å; F75-W212 AromaticContact CD2-CZ3 3.61Å; F75-W212 HydrophobicContact CD2-CZ3 3.61Å; F75-W212 AromaticContact CE2-CH2 3.9Å; F75-W212 HydrophobicContact CE2-CH2 3.9Å; F75-W212 AromaticContact CE2-CZ3 3.65Å; F75-W212 HydrophobicContact CE2-CZ3 3.65Å; R78-W212 HydrophobicContact CB-CD2 3.65Å; R78-W212 HydrophobicContact CB-CE3 3.43Å; R78-W212 VanDerWaalsContact CB-CE3 3.43Å; R78-W212 HydrophobicContact CB-CG 4.33Å; R78-W212 HydrophobicContact CB-CH2 4.05Å; R78-W212 HydrophobicContact CB-CZ2 4.21Å; R78-W212 HydrophobicContact CB-CZ3 3.65Å; R78-W212 HydrophobicContact CG-CB 4.39Å; R78-W212 HydrophobicContact CG-CD2 3.97Å; R78-W212 HydrophobicContact CG-CE3 3.75Å; R78-W212 HydrophobicContact CG-CG 4.25Å; R78-W212 HydrophobicContact CG-CZ3 4.39Å; V79-W212 HydrophobicContact CG2-CH2 3.83Å; V152-W212 HydrophobicContact CG1-CH2 4.04Å; V152-W212 HydrophobicContact CG1-CZ2 4.26Å; L156-W212 HydrophobicContact CD1-CD2 4.09Å; L156-W212 HydrophobicContact CD1-CG 4.44Å; L156-W212 HydrophobicContact CD1-CH2 4.38Å; L156-W212 HydrophobicContact CD1-CZ2 3.55Å; L156-W212 VanDerWaalsContact CD1-NE1 3.3Å; L156-W212 HydrophobicContact CD2-CZ2 4.27Å; L156-W212 HydrophobicContact CG-CZ2 4.46Å; W212-D215 PolarHBondContact O-N 3.26Å; W212-V216 WeakPolarHBondContact O-CG2 3.39Å; W212-V216 PolarHBondContact O-N 2.91Å |
| 213 | V | 93.7 | Very high | 81.8 | Confident | 7 Ų | 7 | 88.3 Ų | 88.3 | 4% | 0.042 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 172 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | L149 V152 A153 L156 T211 D215 V216 F217 | L149-V213 HydrophobicContact CD2-CG1 4.29Å; V152-V213 HydrophobicContact CB-CG2 4.34Å; V152-V213 HydrophobicContact CG1-CG2 3.58Å; A153-V213 HydrophobicContact CB-CB 4.44Å; A153-V213 HydrophobicContact CB-CG1 4.46Å; L156-V213 HydrophobicContact CD1-CG2 3.65Å; T211-V213 PolarHBondContact O-N 3.02Å; T211-V213 PolarHBondContact OG1-N 3.37Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 3.41Å; V213-V216 PolarHBondContact O-N 3.09Å; V213-V216 VanDerWaalsContact O-N 3.11Å; V213-F217 HydrophobicContact CG1-CD2 4.22Å; V213-F217 PolarHBondContact O-N 2.99Å |
| 214 | H | 92.2 | Very high | 83.3 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 22% | 0.218 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.5 | -63.3 | 98.6 | 0 | 0 | 0 | 111.5 | D209 R210 T211 V216 Q218 | D209-H214 PolarHBondContact O-CE1 2.74Å; R210-H214 HydrophobicContact CG-CB 4.02Å; T211-H214 PolarHBondContact N-ND1 3.38Å; T211-H214 VanDerWaalsContact N-ND1 3.18Å; T211-H214 VanDerWaalsContact O-CB 3.31Å; T211-H214 WeakPolarHBondContact O-CB 3.42Å; T211-H214 PolarHBondContact O-N 2.79Å; T211-H214 PolarHBondContact OG1-ND1 2.88Å; H214-V216 PolarHBondContact O-N 3.35Å; H214-Q218 HydrophobicContact CB-CB 4.01Å; H214-Q218 VanDerWaalsContact CB-OE1 3.24Å; H214-Q218 PolarHBondContact CD2-OE1 3.31Å; H214-Q218 WeakPolarHBondContact O-CA 3.19Å; H214-Q218 WeakPolarHBondContact O-CB 3.48Å; H214-Q218 PolarHBondContact O-N 3.17Å |
| 215 | D | 91 | Very high | 84.8 | Confident | 91 Ų | 91 | 92.4 Ų | 92.4 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -27.2 | 175.5 | -63.9 | -30.3 | 0 | 0 | 0 | 113.5 | R210 T211 W212 V213 | R210-D215 IonicContact CZ-OD1 2.71Å; R210-D215 IonicContact NE-OD1 3.56Å; R210-D215 PolarHBondContact NE-OD1 3.12Å; R210-D215 IonicContact NH2-OD1 3.55Å; R210-D215 PolarHBondContact NH2-OD1 2.95Å; T211-D215 PolarHBondContact O-N 2.91Å; W212-D215 PolarHBondContact O-N 3.26Å; V213-D215 VanDerWaalsContact C-N 3.29Å; V213-D215 PolarHBondContact O-N 3.41Å |
| 216 | V | 90.6 | Very high | 86 | Confident | 43 Ų | 43 | 92.9 Ų | 92.9 | 26% | 0.261 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -89.3 | -39.4 | -179.2 | 176.8 | 0 | 0 | 0 | 0 | 112 | P74 F75 W212 V213 H214 | P74-V216 HydrophobicContact CB-CG1 4.33Å; P74-V216 HydrophobicContact CB-CG2 4.02Å; F75-V216 HydrophobicContact CB-CG1 4.37Å; W212-V216 WeakPolarHBondContact O-CG2 3.39Å; W212-V216 PolarHBondContact O-N 2.91Å; V213-V216 PolarHBondContact O-N 3.09Å; V213-V216 VanDerWaalsContact O-N 3.11Å; H214-V216 PolarHBondContact O-N 3.35Å |
| 217 | F | 91.8 | Very high | 87.2 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 25% | 0.246 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -122 | -15.8 | -168.6 | -63.9 | -67.9 | 0 | 0 | 0 | 115.8 | L69 F75 L149 V213 G219 | L69-F217 HydrophobicContact CD2-CE1 4.49Å; L69-F217 HydrophobicContact CD2-CE2 4.24Å; L69-F217 HydrophobicContact CD2-CZ 3.68Å; F75-F217 HydrophobicContact CB-CE2 4.29Å; F75-F217 HydrophobicContact CB-CZ 4.2Å; F75-F217 HydrophobicContact CD2-CD2 4.49Å; F75-F217 AromaticContact CD2-CE2 3.47Å; F75-F217 HydrophobicContact CD2-CE2 3.47Å; F75-F217 VanDerWaalsContact CD2-CE2 3.47Å; F75-F217 HydrophobicContact CD2-CZ 4.11Å; F75-F217 HydrophobicContact CE2-CE2 4Å; F75-F217 HydrophobicContact CG-CE2 4.04Å; F75-F217 HydrophobicContact CG-CZ 4.22Å; L149-F217 HydrophobicContact CD1-CB 4.47Å; L149-F217 HydrophobicContact CD1-CD2 3.99Å; L149-F217 HydrophobicContact CD1-CE2 4.31Å; L149-F217 HydrophobicContact CD1-CG 4.11Å; L149-F217 HydrophobicContact CD2-CD2 3.78Å; L149-F217 HydrophobicContact CD2-CE2 3.59Å; L149-F217 HydrophobicContact CD2-CZ 4.39Å; V213-F217 HydrophobicContact CG1-CD2 4.22Å; V213-F217 PolarHBondContact O-N 2.99Å; F217-G219 PolarHBondContact O-N 3.32Å |
| 218 | Q | 87.1 | Confident | 88.2 | Confident | 107 Ų | 107 | 88.5 Ų | 88.5 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | trans | -76.1 | 118.3 | -174.9 | -170.2 | -179.8 | -10.6 | 0 | 0 | 110.7 | H214 | H214-Q218 HydrophobicContact CB-CB 4.01Å; H214-Q218 VanDerWaalsContact CB-OE1 3.24Å; H214-Q218 PolarHBondContact CD2-OE1 3.31Å; H214-Q218 WeakPolarHBondContact O-CA 3.19Å; H214-Q218 WeakPolarHBondContact O-CB 3.48Å; H214-Q218 PolarHBondContact O-N 3.17Å | ||
| 219 | G | 85.5 | Confident | 89 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | trans | -103.1 | -177.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112 | F217 | F217-G219 PolarHBondContact O-N 3.32Š| ||
| 220 | T | 84.1 | Confident | 89.4 | Confident | 139 Ų | 139 | 95.6 Ų | 95.6 | 85% | 0.853 | 51% | 0.511 | S | S | * | . | trans | -127.8 | 130.9 | 170.5 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 221 | L | 81.6 | Confident | 89.2 | Confident | 138 Ų | 138 | 95.5 Ų | 95.5 | 72% | 0.723 | 52% | 0.516 | S | S | * | . | trans | -118 | 133.3 | 175.6 | 179.6 | 67.3 | 0 | 0 | 0 | 108.7 | N223 | L221-N223 VanDerWaalsContact CD2-OD1 3.22Å; L221-N223 WeakPolarHBondContact CD2-OD1 3.06Å; L221-N223 WeakPolarHBondContact CG-OD1 3.16Å | ||
| 222 | T | 86.5 | Confident | 88.6 | Confident | 113 Ų | 113 | 98.7 Ų | 98.7 | 69% | 0.693 | 54% | 0.536 | S | S | * | . | trans | -102.9 | 112.2 | 171.5 | -55 | 0 | 0 | 0 | 0 | 108 | E224 | T222-E224 HydrophobicContact CG2-CG 4.35Š| ||
| 223 | N | 87 | Confident | 87.4 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 68% | 0.684 | 57% | 0.571 | S | S | * | * | trans | -97.9 | 118.3 | 173 | -71.7 | -19.6 | 0 | 0 | 0 | 109 | L221 | L221-N223 VanDerWaalsContact CD2-OD1 3.22Å; L221-N223 WeakPolarHBondContact CD2-OD1 3.06Å; L221-N223 WeakPolarHBondContact CG-OD1 3.16Å | ||
| 224 | E | 87.8 | Confident | 87 | Confident | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 60% | 0.597 | S | S | * | * | trans | -99 | 132.4 | 174.8 | -62.3 | -179.2 | 171 | 0 | 0 | 109 | T222 | T222-E224 HydrophobicContact CG2-CG 4.35Š| ||
| 225 | T | 89.1 | Confident | 86.8 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | trans | -129.4 | 97.8 | -177.4 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | P233 | T225-P233 CarbonylContact O-C 3.57Š| ||
| 226 | R | 89.5 | Confident | 86.5 | Confident | 153 Ų | 153 | 112.5 Ų | 112.5 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | trans | -84.2 | 123 | 176.3 | -166.7 | 177 | -179.8 | -153 | -0.3 | 111.5 | L228 E231 T232 | R226-L228 PolarHBondContact O-N 3.32Å; R226-E231 IonicContact CZ-OE2 2.93Å; R226-E231 PolarHBondContact NE-O 3.37Å; R226-E231 IonicContact NH2-OE1 2.89Å; R226-E231 IonicContact NH2-OE2 3.2Å; R226-E231 PolarHBondContact NH2-OE2 3.17Å; R226-T232 CarbonylContact C-O 3.2Å; R226-T232 WeakPolarHBondContact CA-O 3.4Å | ||
| 227 | C | 90.6 | Very high | 86.3 | Confident | 53 Ų | 53 | 116.6 Ų | 116.6 | 36% | 0.358 | 65% | 0.646 | S | S | . | * | trans | -65.1 | 125 | 170 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | N229 C230 E231 T232 | C227-N229 PolarHBondContact O-N 2.89Å; C227-N229 PolarHBondContact SG-N 3.22Å; C227-C230 PolarHBondContact SG-SG 2.96Å; C227-E231 WeakPolarHBondContact O-CA 3.34Å; C227-E231 PolarHBondContact O-N 2.7Å; C227-T232 PolarHBondContact N-O 3.28Å | ||
| 228 | L | 91.8 | Very high | 86 | Confident | 176 Ų | 176 | 120.4 Ų | 120.4 | 92% | 0.921 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -9.8 | 179.5 | -65 | 177.2 | 0 | 0 | 0 | 114.2 | R226 | R226-L228 PolarHBondContact O-N 3.32Š|
| 229 | N | 90.5 | Very high | 85.9 | Confident | 158 Ų | 158 | 121.3 Ų | 121.3 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -36.1 | -175 | -157.2 | 76 | 0 | 0 | 0 | 114 | C227 | C227-N229 PolarHBondContact O-N 2.89Å; C227-N229 PolarHBondContact SG-N 3.22Å |
| 230 | C | 92.3 | Very high | 85.9 | Confident | 79 Ų | 79 | 125.6 Ų | 125.6 | 53% | 0.534 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.6 | 6.2 | 178 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | C227 T232 | C227-C230 PolarHBondContact SG-SG 2.96Å; C230-T232 PolarHBondContact O-N 3.1Å; C230-T232 PolarHBondContact O-OG1 3.44Å; C230-T232 PolarHBondContact SG-OG1 2.74Å |
| 231 | E | 83.5 | Confident | 86 | Confident | 128 Ų | 128 | 124.5 Ų | 124.5 | 60% | 0.598 | 67% | 0.673 | S | S | * | * | trans | 55.5 | 11.2 | 178.9 | -60.5 | -165.5 | 170.6 | 0 | 0 | 116 | R226 C227 | R226-E231 IonicContact CZ-OE2 2.93Å; R226-E231 PolarHBondContact NE-O 3.37Å; R226-E231 IonicContact NH2-OE1 2.89Å; R226-E231 IonicContact NH2-OE2 3.2Å; R226-E231 PolarHBondContact NH2-OE2 3.17Å; C227-E231 WeakPolarHBondContact O-CA 3.34Å; C227-E231 PolarHBondContact O-N 2.7Å | ||
| 232 | T | 80.7 | Confident | 86.4 | Confident | 78 Ų | 78 | 123.4 Ų | 123.4 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | trans | -70.2 | 129.4 | 179 | -48.9 | 0 | 0 | 0 | 0 | 109.7 | R226 C227 C230 | R226-T232 CarbonylContact C-O 3.2Å; R226-T232 WeakPolarHBondContact CA-O 3.4Å; C227-T232 PolarHBondContact N-O 3.28Å; C230-T232 PolarHBondContact O-N 3.1Å; C230-T232 PolarHBondContact O-OG1 3.44Å; C230-T232 PolarHBondContact SG-OG1 2.74Å | ||
| 233 | P | 67.9 | Low | 86.4 | Confident | 137 Ų | 137 | 124.4 Ų | 124.4 | 89% | 0.89 | 67% | 0.667 | S | S | * | * | trans | -70.8 | 0 | 175.6 | 30.4 | -34.6 | 0 | 0 | 0 | 113.7 | T225 | T225-P233 CarbonylContact O-C 3.57Š|
Retrieved 233 of 233 residues in 156.3 ms
(Link to these results)