| 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 | 67.3 | Low | 84.1 | Confident | 209 Ų | 209 | 84.8 Ų | 84.8 | 100% | 1.03 | 46% | 0.463 | S | S | * | . | 0 | -51.9 | 0 | -169.1 | 161.1 | 55 | 0 | 0 | 111.2 | A3 A4 L5 | M1-A3 PolarHBondContact O-N 3.42Å; M1-A4 PolarHBondContact O-N 3.22Å; M1-L5 PolarHBondContact O-N 3.28Å; M1-L5 VanDerWaalsContact O-N 3.08Å | |||
| 2 | E | 78.6 | Confident | 84.6 | Confident | 144 Ų | 144 | 80.4 Ų | 80.4 | 67% | 0.673 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.3 | -45.5 | -179.9 | -67.2 | -179.5 | 167.9 | 0 | 0 | 114.6 | A4 L5 L6 M166 | E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 3.04Å; E2-L5 PolarHBondContact O-N 3.31Å; E2-L6 WeakPolarHBondContact O-CB 3.23Å; E2-L6 PolarHBondContact O-N 3.14Å; E2-M166 HydrophobicContact CB-CE 3.54Å; E2-M166 HydrophobicContact CG-CE 3.8Å |
| 3 | A | 81.8 | Confident | 84.9 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 69% | 0.686 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.5 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 G7 | M1-A3 PolarHBondContact O-N 3.42Å; A3-G7 PolarHBondContact O-N 2.8Å |
| 4 | A | 84.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 60% | 0.595 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.6 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 E2 G7 L8 | M1-A4 PolarHBondContact O-N 3.22Å; E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 3.04Å; A4-G7 PolarHBondContact O-N 3.26Å; A4-L8 WeakPolarHBondContact O-CB 3.45Å; A4-L8 PolarHBondContact O-N 3.13Å |
| 5 | L | 85.9 | Confident | 85.3 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.5 | -179 | 64.8 | 0 | 0 | 0 | 111.3 | M1 E2 L8 C9 I162 M166 | M1-L5 PolarHBondContact O-N 3.28Å; M1-L5 VanDerWaalsContact O-N 3.08Å; E2-L5 PolarHBondContact O-N 3.31Å; L5-L8 PolarHBondContact O-N 3.45Å; L5-C9 PolarHBondContact O-N 2.85Å; L5-C9 PolarHBondContact O-SG 3.41Å; L5-C9 VanDerWaalsContact O-SG 3.36Å; L5-I162 HydrophobicContact CD2-CG2 4.32Å; L5-M166 HydrophobicContact CD2-SD 4.4Å |
| 6 | L | 87.4 | Confident | 85.3 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.8 | -174 | 147.1 | 0 | 0 | 0 | 112.1 | E2 N10 M166 T167 | E2-L6 WeakPolarHBondContact O-CB 3.23Å; E2-L6 PolarHBondContact O-N 3.14Å; L6-N10 WeakPolarHBondContact CD2-ND2 3.18Å; L6-N10 PolarHBondContact O-N 3.15Å; L6-N10 VanDerWaalsContact O-N 3.1Å; L6-N10 PolarHBondContact O-ND2 2.96Å; L6-M166 HydrophobicContact CD1-CB 3.97Å; L6-T167 HydrophobicContact CD1-CG2 3.57Å; L6-T167 HydrophobicContact CG-CG2 4.5Å |
| 7 | G | 84.7 | Confident | 85.3 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.1 | -51.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A3 A4 C9 N10 W11 | A3-G7 PolarHBondContact O-N 2.8Å; A4-G7 PolarHBondContact O-N 3.26Å; G7-C9 PolarHBondContact O-N 3.49Å; G7-N10 PolarHBondContact O-N 3.12Å; G7-W11 WeakPolarHBondContact O-CB 3.34Å; G7-W11 PolarHBondContact O-N 3.38Å |
| 8 | L | 88.3 | Confident | 85.3 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.1 | -47.4 | 179.8 | -176.4 | 142.6 | 0 | 0 | 0 | 112 | A4 L5 S12 | A4-L8 WeakPolarHBondContact O-CB 3.45Å; A4-L8 PolarHBondContact O-N 3.13Å; L5-L8 PolarHBondContact O-N 3.45Å; L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 3.39Å |
| 9 | C | 88.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.034 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 178.9 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | L5 G7 S12 T13 T159 T163 | L5-C9 PolarHBondContact O-N 2.85Å; L5-C9 PolarHBondContact O-SG 3.41Å; L5-C9 VanDerWaalsContact O-SG 3.36Å; G7-C9 PolarHBondContact O-N 3.49Å; C9-S12 PolarHBondContact O-OG 3.33Å; C9-T13 VanDerWaalsContact O-CB 3.26Å; C9-T13 WeakPolarHBondContact O-CB 3.28Å; C9-T13 PolarHBondContact O-N 3.07Å; C9-T13 VanDerWaalsContact O-N 3.15Å; C9-T13 PolarHBondContact O-OG1 3.4Å; C9-T159 HydrophobicContact CB-CG2 4.38Å; C9-T163 HydrophobicContact CB-CG2 3.59Å |
| 10 | N | 89.8 | Confident | 84.9 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.027 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.4 | -46.9 | -179.4 | -74.5 | -45.6 | 0 | 0 | 0 | 111.6 | L6 G7 T13 L14 L64 R160 | L6-N10 WeakPolarHBondContact CD2-ND2 3.18Å; L6-N10 PolarHBondContact O-N 3.15Å; L6-N10 VanDerWaalsContact O-N 3.1Å; L6-N10 PolarHBondContact O-ND2 2.96Å; G7-N10 PolarHBondContact O-N 3.12Å; N10-T13 PolarHBondContact O-N 3.48Å; N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.32Å; N10-L14 PolarHBondContact O-N 2.97Å; N10-L64 PolarHBondContact OD1-O 3.28Å; N10-L64 VanDerWaalsContact OD1-O 3.07Å; N10-R160 PolarHBondContact OD1-NH1 3.29Å |
| 11 | W | 89.1 | Confident | 84.7 | Confident | 162 Ų | 162 | 60.2 Ų | 60.2 | 61% | 0.614 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.6 | -39.1 | -178.7 | -70.9 | 117.2 | 0 | 0 | 0 | 112.7 | G7 L14 G15 | G7-W11 WeakPolarHBondContact O-CB 3.34Å; G7-W11 PolarHBondContact O-N 3.38Å; W11-L14 HydrophobicContact CE3-CD2 3.83Å; W11-L14 HydrophobicContact CZ3-CD2 3.75Å; W11-L14 PolarHBondContact O-N 2.94Å; W11-G15 PolarHBondContact O-N 3.34Å |
| 12 | S | 90.2 | Very high | 85.6 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.7 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | L8 C9 G15 V16 Y155 | L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 3.39Å; C9-S12 PolarHBondContact O-OG 3.33Å; S12-G15 PolarHBondContact O-N 3.16Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.4Å; S12-Y155 PolarHBondContact OG-OH 3.39Å |
| 13 | T | 87.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | C9 N10 G15 V16 C17 T156 T159 | C9-T13 VanDerWaalsContact O-CB 3.26Å; C9-T13 WeakPolarHBondContact O-CB 3.28Å; C9-T13 PolarHBondContact O-N 3.07Å; C9-T13 VanDerWaalsContact O-N 3.15Å; C9-T13 PolarHBondContact O-OG1 3.4Å; N10-T13 PolarHBondContact O-N 3.48Å; T13-G15 PolarHBondContact O-N 3.46Å; T13-V16 PolarHBondContact O-N 2.91Å; T13-C17 WeakPolarHBondContact O-CB 3.2Å; T13-C17 PolarHBondContact O-N 3.28Å; T13-C17 PolarHBondContact O-SG 3Å; T13-C17 VanDerWaalsContact O-SG 3.37Å; T13-T156 HydrophobicContact CG2-CG2 3.82Å; T13-T159 PolarHBondContact OG1-OG1 2.89Å |
| 14 | L | 89.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 177.5 | -169.6 | 70.8 | 0 | 0 | 0 | 111.7 | N10 W11 C17 A18 L67 E68 I71 | N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.32Å; N10-L14 PolarHBondContact O-N 2.97Å; W11-L14 HydrophobicContact CE3-CD2 3.83Å; W11-L14 HydrophobicContact CZ3-CD2 3.75Å; W11-L14 PolarHBondContact O-N 2.94Å; L14-C17 PolarHBondContact O-N 3.39Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.09Å; L14-A18 PolarHBondContact O-N 3.3Å; L14-L67 HydrophobicContact CD1-CB 4.16Å; L14-L67 HydrophobicContact CD1-CD2 4.37Å; L14-L67 HydrophobicContact CD1-CG 4.28Å; L14-L67 HydrophobicContact CD2-CD2 4.21Å; L14-E68 HydrophobicContact CD1-CB 3.91Å; L14-I71 HydrophobicContact CD1-CD1 3.61Å; L14-I71 HydrophobicContact CG-CD1 4.35Å |
| 15 | G | 87.1 | Confident | 85.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W11 S12 T13 A18 A19 | W11-G15 PolarHBondContact O-N 3.34Å; S12-G15 PolarHBondContact O-N 3.16Å; T13-G15 PolarHBondContact O-N 3.46Å; G15-A18 PolarHBondContact O-N 3.45Å; G15-A19 PolarHBondContact O-N 3.26Å |
| 16 | V | 85.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | S12 T13 A18 A19 L20 L152 | S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.4Å; T13-V16 PolarHBondContact O-N 2.91Å; V16-A18 VanDerWaalsContact C-N 3.34Å; V16-A18 PolarHBondContact O-N 3.08Å; V16-A19 PolarHBondContact O-N 3.09Å; V16-L20 WeakPolarHBondContact O-CB 3.35Å; V16-L20 PolarHBondContact O-N 3.07Å; V16-L20 VanDerWaalsContact O-N 3.12Å; V16-L152 HydrophobicContact CG1-CD2 3.99Å |
| 17 | C | 84.5 | Confident | 85.8 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.054 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 179.9 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | T13 L14 A19 L20 E68 L72 | T13-C17 WeakPolarHBondContact O-CB 3.2Å; T13-C17 PolarHBondContact O-N 3.28Å; T13-C17 PolarHBondContact O-SG 3Å; T13-C17 VanDerWaalsContact O-SG 3.37Å; L14-C17 PolarHBondContact O-N 3.39Å; C17-A19 VanDerWaalsContact C-N 3.29Å; C17-A19 PolarHBondContact O-N 2.93Å; C17-L20 PolarHBondContact O-N 2.93Å; C17-E68 HydrophobicContact CB-CB 3.81Å; C17-E68 HydrophobicContact CB-CG 4.26Å; C17-L72 HydrophobicContact CB-CD1 4.17Å; C17-L72 HydrophobicContact CB-CD2 4.06Å; C17-L72 HydrophobicContact CB-CG 4.15Å |
| 18 | A | 85.9 | Confident | 85.9 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -32.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L14 G15 V16 I71 Q75 | L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.09Å; L14-A18 PolarHBondContact O-N 3.3Å; G15-A18 PolarHBondContact O-N 3.45Å; V16-A18 VanDerWaalsContact C-N 3.34Å; V16-A18 PolarHBondContact O-N 3.08Å; A18-I71 HydrophobicContact CB-CG2 4.23Å; A18-Q75 PolarHBondContact O-NE2 3.33Å |
| 19 | A | 82.9 | Confident | 85.9 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -86.3 | -17.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G15 V16 C17 K21 L22 P23 | G15-A19 PolarHBondContact O-N 3.26Å; V16-A19 PolarHBondContact O-N 3.09Å; C17-A19 VanDerWaalsContact C-N 3.29Å; C17-A19 PolarHBondContact O-N 2.93Å; A19-K21 PolarHBondContact O-N 3.15Å; A19-L22 PolarHBondContact O-N 3.02Å; A19-P23 VanDerWaalsContact O-CD 3.3Å; A19-P23 WeakPolarHBondContact O-CD 3.48Å |
| 20 | L | 78.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | -161.9 | -164.3 | 146.4 | 0 | 0 | 0 | 114.2 | V16 C17 | V16-L20 WeakPolarHBondContact O-CB 3.35Å; V16-L20 PolarHBondContact O-N 3.07Å; V16-L20 VanDerWaalsContact O-N 3.12Å; C17-L20 PolarHBondContact O-N 2.93Å |
| 21 | K | 82.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.4 | -177.9 | -60.9 | -77 | 179.6 | 130.2 | 0 | 113.6 | A19 Q24 I25 E45 Q75 D76 L79 | A19-K21 PolarHBondContact O-N 3.15Å; K21-Q24 WeakPolarHBondContact O-CB 3.07Å; K21-Q24 PolarHBondContact O-N 2.88Å; K21-Q24 VanDerWaalsContact O-N 3.11Å; K21-I25 HydrophobicContact CB-CD1 4.42Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.32Å; K21-E45 VanDerWaalsContact CE-OE1 3.23Å; K21-E45 WeakPolarHBondContact CE-OE1 3.23Å; K21-E45 IonicContact NZ-OE1 2.74Å; K21-E45 PolarHBondContact NZ-OE1 3.44Å; K21-E45 IonicContact NZ-OE2 3.67Å; K21-E45 PolarHBondContact NZ-OE2 3.43Å; K21-Q75 HydrophobicContact CB-CB 3.93Å; K21-Q75 HydrophobicContact CB-CG 4.48Å; K21-Q75 VanDerWaalsContact CB-OE1 3.31Å; K21-Q75 HydrophobicContact CG-CB 4.2Å; K21-D76 WeakPolarHBondContact CE-OD1 3.38Å; K21-D76 IonicContact NZ-OD1 2.66Å; K21-D76 PolarHBondContact NZ-OD1 3.35Å; K21-D76 IonicContact NZ-OD2 2.76Å; K21-L79 HydrophobicContact CD-CD1 4.05Å |
| 22 | L | 84.2 | Confident | 85.6 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | -178.3 | -61.1 | 179.6 | 0 | 0 | 0 | 113 | A19 Q24 I25 S26 | A19-L22 PolarHBondContact O-N 3.02Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.29Å; L22-I25 PolarHBondContact O-N 3.28Å; L22-S26 PolarHBondContact O-N 3.01Å; L22-S26 PolarHBondContact O-OG 3.32Å |
| 23 | P | 83.8 | Confident | 85.2 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.7 | -36.4 | 176.5 | -22.9 | 34.4 | 0 | 0 | 0 | 112.6 | A19 S26 A27 | A19-P23 VanDerWaalsContact O-CD 3.3Å; A19-P23 WeakPolarHBondContact O-CD 3.48Å; P23-S26 WeakPolarHBondContact CA-OG 3.43Å; P23-S26 PolarHBondContact O-OG 3.15Å; P23-A27 VanDerWaalsContact O-CB 3.3Å; P23-A27 WeakPolarHBondContact O-CB 3.44Å; P23-A27 PolarHBondContact O-N 2.95Å |
| 24 | Q | 83.4 | Confident | 84.9 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 178.6 | -170.2 | 176.2 | -0.3 | 0 | 0 | 110.9 | K21 L22 A27 V28 L37 L79 | K21-Q24 WeakPolarHBondContact O-CB 3.07Å; K21-Q24 PolarHBondContact O-N 2.88Å; K21-Q24 VanDerWaalsContact O-N 3.11Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.29Å; Q24-A27 PolarHBondContact O-N 3.25Å; Q24-V28 VanDerWaalsContact O-CG2 3.23Å; Q24-V28 WeakPolarHBondContact O-CG2 3.19Å; Q24-V28 PolarHBondContact O-N 3.46Å; Q24-V28 VanDerWaalsContact O-N 3.15Å; Q24-L37 HydrophobicContact CG-CD2 4.15Å; Q24-L79 HydrophobicContact CG-CD1 4.21Å; Q24-L79 HydrophobicContact CG-CD2 4.2Å |
| 25 | I | 86 | Confident | 84 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.2 | -66.5 | 166.3 | 0 | 0 | 0 | 110.3 | K21 L22 A27 V28 L29 Q75 I78 L79 | K21-I25 HydrophobicContact CB-CD1 4.42Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.32Å; L22-I25 PolarHBondContact O-N 3.28Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 3.43Å; I25-V28 PolarHBondContact O-N 3.34Å; I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CG 3.27Å; I25-L29 PolarHBondContact O-N 3.4Å; I25-Q75 HydrophobicContact CD1-CB 4.27Å; I25-Q75 HydrophobicContact CD1-CG 4.47Å; I25-I78 HydrophobicContact CD1-CG2 4.3Å; I25-I78 HydrophobicContact CG2-CG2 4.32Å; I25-L79 HydrophobicContact CB-CD2 4.3Å; I25-L79 HydrophobicContact CD1-CG 4.49Å; I25-L79 HydrophobicContact CG1-CD1 4.36Å; I25-L79 HydrophobicContact CG1-CD2 3.54Å; I25-L79 HydrophobicContact CG1-CG 3.69Å |
| 26 | S | 85.1 | Confident | 83.2 | Confident | 66 Ų | 66 | 69 Ų | 69 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 179.1 | 60 | 0 | 0 | 0 | 0 | 112.5 | L22 P23 L29 A30 | L22-S26 PolarHBondContact O-N 3.01Å; L22-S26 PolarHBondContact O-OG 3.32Å; P23-S26 WeakPolarHBondContact CA-OG 3.43Å; P23-S26 PolarHBondContact O-OG 3.15Å; S26-L29 PolarHBondContact O-N 3.07Å; S26-A30 VanDerWaalsContact O-CB 3.24Å; S26-A30 WeakPolarHBondContact O-CB 3.27Å; S26-A30 PolarHBondContact O-N 3.46Å |
| 27 | A | 85.1 | Confident | 83 | Confident | 55 Ų | 55 | 69 Ų | 69 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P23 Q24 I25 A30 A31 | P23-A27 VanDerWaalsContact O-CB 3.3Å; P23-A27 WeakPolarHBondContact O-CB 3.44Å; P23-A27 PolarHBondContact O-N 2.95Å; Q24-A27 PolarHBondContact O-N 3.25Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 3.43Å; A27-A30 PolarHBondContact O-N 2.9Å; A27-A31 VanDerWaalsContact O-CB 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.08Å |
| 28 | V | 87 | Confident | 82.9 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | Q24 I25 R32 S33 L37 L79 C82 F86 | Q24-V28 VanDerWaalsContact O-CG2 3.23Å; Q24-V28 WeakPolarHBondContact O-CG2 3.19Å; Q24-V28 PolarHBondContact O-N 3.46Å; Q24-V28 VanDerWaalsContact O-N 3.15Å; I25-V28 PolarHBondContact O-N 3.34Å; V28-R32 PolarHBondContact O-N 3.13Å; V28-S33 PolarHBondContact O-N 2.88Å; V28-L37 HydrophobicContact CG2-CD1 3.54Å; V28-L37 HydrophobicContact CG2-CG 4.18Å; V28-L79 HydrophobicContact CG2-CD2 4.31Å; V28-C82 HydrophobicContact CG1-CB 3.88Å; V28-F86 HydrophobicContact CG1-CD2 3.9Å; V28-F86 HydrophobicContact CG1-CE2 3.83Å |
| 29 | L | 87.6 | Confident | 82.8 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177 | -69.8 | 173.2 | 0 | 0 | 0 | 111.8 | I25 S26 R32 F86 | I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CG 3.27Å; I25-L29 PolarHBondContact O-N 3.4Å; S26-L29 PolarHBondContact O-N 3.07Å; L29-R32 WeakPolarHBondContact O-CG 3.24Å; L29-R32 PolarHBondContact O-N 2.85Å; L29-F86 HydrophobicContact CD2-CE2 4.48Å; L29-F86 HydrophobicContact CD2-CZ 4.41Å |
| 30 | A | 88.4 | Confident | 83 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 72% | 0.719 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S26 A27 R32 | S26-A30 VanDerWaalsContact O-CB 3.24Å; S26-A30 WeakPolarHBondContact O-CB 3.27Å; S26-A30 PolarHBondContact O-N 3.46Å; A27-A30 PolarHBondContact O-N 2.9Å; A30-R32 PolarHBondContact O-N 3.48Å |
| 31 | A | 87.1 | Confident | 83.2 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.3 | -14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A27 S33 | A27-A31 VanDerWaalsContact O-CB 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.08Å; A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.07Å |
| 32 | R | 85.9 | Confident | 83.5 | Confident | 203 Ų | 203 | 73.5 Ų | 73.5 | 77% | 0.766 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 35.5 | -169.6 | -65.1 | -173.1 | 171.1 | -167.4 | -1.4 | 112.5 | V28 L29 A30 F86 | V28-R32 PolarHBondContact O-N 3.13Å; L29-R32 WeakPolarHBondContact O-CG 3.24Å; L29-R32 PolarHBondContact O-N 2.85Å; A30-R32 PolarHBondContact O-N 3.48Å; R32-F86 VanDerWaalsContact C-CD1 3.4Å; R32-F86 HydrophobicContact CB-CD1 4.38Å; R32-F86 HydrophobicContact CB-CE1 3.88Å; R32-F86 HydrophobicContact CG-CE1 4.35Å; R32-F86 WeakPolarHBondContact O-CD1 3.44Å |
| 33 | S | 82 | Confident | 83.7 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 27% | 0.266 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -154.3 | 140.3 | -173.2 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | V28 A31 R35 | V28-S33 PolarHBondContact O-N 2.88Å; A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.07Å; S33-R35 VanDerWaalsContact C-N 3.3Å; S33-R35 WeakPolarHBondContact OG-CG 3.3Å; S33-R35 PolarHBondContact OG-N 2.66Å |
| 34 | A | 80.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | trans | -90.2 | 8.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G36 L37 I83 F86 | A34-G36 PolarHBondContact O-N 3.5Å; A34-G36 VanDerWaalsContact O-N 3.15Å; A34-L37 PolarHBondContact O-N 2.94Å; A34-I83 HydrophobicContact CB-CB 4.19Å; A34-I83 HydrophobicContact CB-CG1 3.98Å; A34-I83 HydrophobicContact CB-CG2 4.27Å; A34-F86 HydrophobicContact CB-CB 4.41Å | ||
| 35 | R | 72 | Confident | 84.2 | Confident | 237 Ų | 237 | 71.1 Ų | 71.1 | 89% | 0.894 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 118.1 | 177 | -79.5 | -179.2 | -178.4 | 178.1 | 1.5 | 109.8 | S33 | S33-R35 VanDerWaalsContact C-N 3.3Å; S33-R35 WeakPolarHBondContact OG-CG 3.3Å; S33-R35 PolarHBondContact OG-N 2.66Å |
| 36 | G | 70.1 | Confident | 84.4 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 87% | 0.866 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.2 | -9.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A34 | A34-G36 PolarHBondContact O-N 3.5Å; A34-G36 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 79.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | trans | -90.5 | 131.1 | 170.9 | -65.2 | -177.5 | 0 | 0 | 0 | 111.5 | Q24 V28 A34 L79 I83 | Q24-L37 HydrophobicContact CG-CD2 4.15Å; V28-L37 HydrophobicContact CG2-CD1 3.54Å; V28-L37 HydrophobicContact CG2-CG 4.18Å; A34-L37 PolarHBondContact O-N 2.94Å; L37-L79 HydrophobicContact CD1-CD2 4.44Å; L37-I83 HydrophobicContact CB-CD1 3.99Å; L37-I83 HydrophobicContact CB-CG1 4.19Å; L37-I83 HydrophobicContact CD1-CD1 3.93Å; L37-I83 HydrophobicContact CD1-CG1 3.64Å | ||
| 38 | S | 82.9 | Confident | 85.1 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | trans | -89.8 | 107.3 | 171.8 | 172.3 | 0 | 0 | 0 | 0 | 110 | S41 L42 | S38-S41 WeakPolarHBondContact CB-OG 3.46Å; S38-S41 PolarHBondContact O-N 3.39Å; S38-S41 WeakPolarHBondContact OG-CB 3.43Å; S38-S41 PolarHBondContact OG-N 3.18Å; S38-S41 PolarHBondContact OG-OG 2.94Å; S38-L42 PolarHBondContact O-N 3.33Å | ||
| 39 | L | 85 | Confident | 85.3 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.2 | -46.7 | 174.5 | 175.2 | 67.7 | 0 | 0 | 0 | 112.3 | S41 L42 L43 L80 I83 F84 | L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.06Å; L39-L42 PolarHBondContact O-N 3.24Å; L39-L43 HydrophobicContact CD1-CD1 4.12Å; L39-L43 HydrophobicContact CD1-CG 4.13Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 HydrophobicContact CG-CG 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.78Å; L39-L80 HydrophobicContact CD1-CD1 3.32Å; L39-I83 HydrophobicContact CD1-CD1 4.49Å; L39-F84 HydrophobicContact CD1-CE2 4.19Å; L39-F84 HydrophobicContact CD1-CZ 4.06Å; L39-F84 HydrophobicContact CD2-CE1 4.41Å; L39-F84 HydrophobicContact CD2-CZ 3.96Å |
| 40 | P | 85.4 | Confident | 85.6 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | 176.9 | -25 | 34.9 | 0 | 0 | 0 | 113.3 | L43 L44 | P40-L43 PolarHBondContact O-N 3.29Å; P40-L44 WeakPolarHBondContact O-CB 3.42Å; P40-L44 PolarHBondContact O-N 2.86Å |
| 41 | S | 83.5 | Confident | 85.9 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111.7 | S38 L39 L44 E45 | S38-S41 WeakPolarHBondContact CB-OG 3.46Å; S38-S41 PolarHBondContact O-N 3.39Å; S38-S41 WeakPolarHBondContact OG-CB 3.43Å; S38-S41 PolarHBondContact OG-N 3.18Å; S38-S41 PolarHBondContact OG-OG 2.94Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.06Å; S41-L44 PolarHBondContact O-N 3.23Å; S41-E45 PolarHBondContact O-N 3.02Å |
| 42 | L | 88.3 | Confident | 86.2 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.7 | -175.3 | 67.4 | 0 | 0 | 0 | 111.9 | S38 L39 E45 L46 D76 L79 L80 I83 | S38-L42 PolarHBondContact O-N 3.33Å; L39-L42 PolarHBondContact O-N 3.24Å; L42-E45 PolarHBondContact O-N 3.33Å; L42-L46 HydrophobicContact CG-CD1 4.37Å; L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 PolarHBondContact O-N 3.44Å; L42-D76 HydrophobicContact CD1-CB 3.77Å; L42-L79 HydrophobicContact CD1-CB 4.29Å; L42-L79 HydrophobicContact CD1-CD1 4.36Å; L42-L79 HydrophobicContact CD2-CB 4Å; L42-L80 HydrophobicContact CD2-CB 3.88Å; L42-L80 HydrophobicContact CD2-CD1 4.03Å; L42-I83 HydrophobicContact CD2-CD1 3.65Å |
| 43 | L | 89.7 | Confident | 86.6 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.1 | -69.1 | 172.9 | 0 | 0 | 0 | 112.2 | L39 P40 E45 A47 L80 Y96 | L39-L43 HydrophobicContact CD1-CD1 4.12Å; L39-L43 HydrophobicContact CD1-CG 4.13Å; L39-L43 HydrophobicContact CG-CD1 4.02Å; L39-L43 HydrophobicContact CG-CG 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.78Å; P40-L43 PolarHBondContact O-N 3.29Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.44Å; L43-L80 HydrophobicContact CD2-CD1 4Å; L43-L80 HydrophobicContact CD2-CD2 4.39Å; L43-Y96 HydrophobicContact CD1-CD1 3.64Å; L43-Y96 HydrophobicContact CD1-CE1 3.42Å; L43-Y96 VanDerWaalsContact CD1-CE1 3.42Å; L43-Y96 HydrophobicContact CD2-CD1 3.63Å; L43-Y96 HydrophobicContact CD2-CE1 4.3Å; L43-Y96 HydrophobicContact CD2-CG 4.21Å; L43-Y96 HydrophobicContact CG-CD1 4.3Å |
| 44 | L | 87.8 | Confident | 87.2 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.1 | -160 | 97.9 | 0 | 0 | 0 | 111.4 | P40 S41 G48 I124 | P40-L44 WeakPolarHBondContact O-CB 3.42Å; P40-L44 PolarHBondContact O-N 2.86Å; S41-L44 PolarHBondContact O-N 3.23Å; L44-G48 PolarHBondContact O-N 2.93Å; L44-I124 HydrophobicContact CD1-CG2 4.16Å; L44-I124 HydrophobicContact CD2-CG2 4.06Å; L44-I124 HydrophobicContact CG-CG2 4.43Å |
| 45 | E | 88.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.1 | -50 | 176.2 | -170.7 | 174.8 | -178 | 0 | 0 | 111.3 | K21 S41 L42 L43 A47 G48 F49 D76 | K21-E45 VanDerWaalsContact CE-OE1 3.23Å; K21-E45 WeakPolarHBondContact CE-OE1 3.23Å; K21-E45 IonicContact NZ-OE1 2.74Å; K21-E45 PolarHBondContact NZ-OE1 3.44Å; K21-E45 IonicContact NZ-OE2 3.67Å; K21-E45 PolarHBondContact NZ-OE2 3.43Å; S41-E45 PolarHBondContact O-N 3.02Å; L42-E45 PolarHBondContact O-N 3.33Å; L43-E45 VanDerWaalsContact C-N 3.32Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.28Å; E45-G48 PolarHBondContact O-N 3.23Å; E45-G48 VanDerWaalsContact O-N 3.09Å; E45-F49 HydrophobicContact CG-CD2 4Å; E45-F49 HydrophobicContact CG-CE1 4.34Å; E45-F49 HydrophobicContact CG-CE2 3.36Å; E45-F49 HydrophobicContact CG-CZ 3.56Å; E45-F49 WeakPolarHBondContact O-CG 3.33Å; E45-F49 PolarHBondContact O-N 3.34Å; E45-F49 WeakPolarHBondContact OE1-CE2 3.35Å; E45-F49 WeakPolarHBondContact OE1-CZ 3.19Å; E45-D76 WeakPolarHBondContact CG-OD2 3.35Å |
| 46 | L | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | 173.8 | -84.7 | 165.6 | 0 | 0 | 0 | 112.4 | L42 G48 F49 L50 I73 D76 V77 L80 L100 | L42-L46 HydrophobicContact CG-CD1 4.37Å; L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 PolarHBondContact O-N 3.44Å; L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 3.4Å; L46-F49 PolarHBondContact O-N 3.27Å; L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.01Å; L46-I73 HydrophobicContact CD2-CG2 4.06Å; L46-D76 HydrophobicContact CD1-CB 4.18Å; L46-D76 HydrophobicContact CD2-CB 3.53Å; L46-D76 HydrophobicContact CG-CB 3.65Å; L46-V77 HydrophobicContact CD2-CG2 3.99Å; L46-L80 HydrophobicContact CD1-CD2 4.25Å; L46-L100 HydrophobicContact CB-CD2 4.19Å; L46-L100 HydrophobicContact CD1-CD1 4.3Å |
| 47 | A | 91.7 | Very high | 89.8 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L43 E45 L50 V51 | L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.44Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.28Å; A47-L50 PolarHBondContact O-N 2.94Å; A47-V51 WeakPolarHBondContact O-CB 3.39Å; A47-V51 VanDerWaalsContact O-CG2 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.35Å; A47-V51 PolarHBondContact O-N 2.74Å |
| 48 | G | 91.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L44 E45 L46 F52 C121 | L44-G48 PolarHBondContact O-N 2.93Å; E45-G48 PolarHBondContact O-N 3.23Å; E45-G48 VanDerWaalsContact O-N 3.09Å; L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 3.4Å; G48-F52 WeakPolarHBondContact O-CB 3.46Å; G48-F52 PolarHBondContact O-N 2.91Å; G48-F52 VanDerWaalsContact O-N 3.11Å; G48-C121 WeakPolarHBondContact CA-SG 3.18Å |
| 49 | F | 92.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 175 | -64.7 | -25.1 | 0 | 0 | 0 | 112.1 | E45 L46 F52 L53 Y69 L72 I73 | E45-F49 HydrophobicContact CG-CD2 4Å; E45-F49 HydrophobicContact CG-CE1 4.34Å; E45-F49 HydrophobicContact CG-CE2 3.36Å; E45-F49 HydrophobicContact CG-CZ 3.56Å; E45-F49 WeakPolarHBondContact O-CG 3.33Å; E45-F49 PolarHBondContact O-N 3.34Å; E45-F49 WeakPolarHBondContact OE1-CE2 3.35Å; E45-F49 WeakPolarHBondContact OE1-CZ 3.19Å; L46-F49 PolarHBondContact O-N 3.27Å; F49-F52 PolarHBondContact O-N 3.11Å; F49-L53 VanDerWaalsContact O-CB 3.24Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 PolarHBondContact O-N 3.38Å; F49-Y69 HydrophobicContact CB-CD1 4.12Å; F49-Y69 AromaticContact CD1-CD1 3.66Å; F49-Y69 HydrophobicContact CD1-CD1 3.66Å; F49-Y69 AromaticContact CD1-CE1 3.74Å; F49-Y69 HydrophobicContact CD1-CE1 3.74Å; F49-Y69 HydrophobicContact CE1-CD1 4.4Å; F49-Y69 HydrophobicContact CE1-CE1 4.21Å; F49-Y69 HydrophobicContact CG-CD1 4.1Å; F49-L72 HydrophobicContact CD2-CB 3.9Å; F49-L72 HydrophobicContact CE1-CD1 4.29Å; F49-L72 HydrophobicContact CE2-CB 3.76Å; F49-L72 HydrophobicContact CE2-CD1 4.22Å; F49-L72 HydrophobicContact CE2-CG 4.45Å; F49-L72 HydrophobicContact CZ-CB 4.4Å; F49-L72 HydrophobicContact CZ-CD1 4.01Å; F49-I73 HydrophobicContact CB-CD1 4Å; F49-I73 HydrophobicContact CB-CG1 3.58Å; F49-I73 HydrophobicContact CD2-CG1 4.48Å |
| 50 | L | 94.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 178.1 | -173.1 | 71.6 | 0 | 0 | 0 | 111.6 | L46 A47 L53 R54 L100 W104 | L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.01Å; A47-L50 PolarHBondContact O-N 2.94Å; L50-L53 PolarHBondContact O-N 2.9Å; L50-R54 VanDerWaalsContact O-CB 3.27Å; L50-R54 WeakPolarHBondContact O-CB 3.45Å; L50-R54 PolarHBondContact O-N 3.33Å; L50-L100 HydrophobicContact CD2-CD2 4.06Å; L50-L100 WeakPolarHBondContact CD2-O 3.45Å; L50-W104 HydrophobicContact CD1-CE3 3.62Å; L50-W104 HydrophobicContact CD1-CZ3 4.21Å; L50-W104 HydrophobicContact CG-CE3 4.46Å |
| 51 | V | 94.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 177.1 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | A47 R54 Y55 L107 A117 M118 C121 | A47-V51 WeakPolarHBondContact O-CB 3.39Å; A47-V51 VanDerWaalsContact O-CG2 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.35Å; A47-V51 PolarHBondContact O-N 2.74Å; V51-R54 PolarHBondContact O-N 3.35Å; V51-Y55 VanDerWaalsContact O-CB 3.31Å; V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.42Å; V51-L107 HydrophobicContact CG2-CD1 3.92Å; V51-L107 HydrophobicContact CG2-CD2 4.37Å; V51-A117 HydrophobicContact CG1-CB 3.87Å; V51-A117 HydrophobicContact CG2-CB 4.25Å; V51-M118 HydrophobicContact CG1-CB 4.41Å; V51-C121 HydrophobicContact CG1-CB 4.16Å |
| 52 | F | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | -179.7 | -172.2 | -91.3 | 0 | 0 | 0 | 112 | G48 F49 R54 Y55 Q56 Y69 M118 I173 F177 | G48-F52 WeakPolarHBondContact O-CB 3.46Å; G48-F52 PolarHBondContact O-N 2.91Å; G48-F52 VanDerWaalsContact O-N 3.11Å; F49-F52 PolarHBondContact O-N 3.11Å; F52-R54 VanDerWaalsContact C-N 3.34Å; F52-R54 PolarHBondContact O-N 3.09Å; F52-Y55 PolarHBondContact O-N 3.16Å; F52-Q56 HydrophobicContact CD1-CG 4.16Å; F52-Q56 HydrophobicContact CE1-CG 3.85Å; F52-Q56 HydrophobicContact CZ-CG 4.31Å; F52-Q56 VanDerWaalsContact O-CG 3.24Å; F52-Q56 WeakPolarHBondContact O-CG 3.39Å; F52-Q56 PolarHBondContact O-N 3.31Å; F52-Q56 VanDerWaalsContact O-N 3.09Å; F52-Y69 HydrophobicContact CB-CE1 4.31Å; F52-Y69 AromaticContact CD1-CD1 3.89Å; F52-Y69 HydrophobicContact CD1-CD1 3.89Å; F52-Y69 AromaticContact CD1-CD2 3.67Å; F52-Y69 HydrophobicContact CD1-CD2 3.67Å; F52-Y69 AromaticContact CD1-CE1 3.55Å; F52-Y69 HydrophobicContact CD1-CE1 3.55Å; F52-Y69 AromaticContact CD1-CE2 3.32Å; F52-Y69 HydrophobicContact CD1-CE2 3.32Å; F52-Y69 AromaticContact CD1-CG 3.94Å; F52-Y69 HydrophobicContact CD1-CG 3.94Å; F52-Y69 AromaticContact CD1-CZ 3.24Å; F52-Y69 AromaticContact CE1-CD2 3.79Å; F52-Y69 HydrophobicContact CE1-CD2 3.79Å; F52-Y69 HydrophobicContact CE1-CE1 4.13Å; F52-Y69 AromaticContact CE1-CE2 3.12Å; F52-Y69 HydrophobicContact CE1-CE2 3.12Å; F52-Y69 AromaticContact CE1-CZ 3.32Å; F52-Y69 WeakPolarHBondContact CE1-OH 3.34Å; F52-Y69 HydrophobicContact CG-CE1 4.04Å; F52-Y69 HydrophobicContact CG-CE2 4.46Å; F52-Y69 HydrophobicContact CZ-CE2 4.15Å; F52-M118 HydrophobicContact CD2-CE 3.57Å; F52-M118 HydrophobicContact CD2-SD 3.94Å; F52-M118 HydrophobicContact CE2-CE 3.68Å; F52-I173 HydrophobicContact CE2-CG2 4.22Å; F52-I173 HydrophobicContact CZ-CG2 4.19Å; F52-F177 HydrophobicContact CE1-CZ 4.33Å; F52-F177 AromaticContact CE2-CE2 4Å; F52-F177 HydrophobicContact CE2-CE2 4Å; F52-F177 AromaticContact CE2-CZ 3.87Å; F52-F177 HydrophobicContact CE2-CZ 3.87Å; F52-F177 AromaticContact CZ-CE2 3.66Å; F52-F177 HydrophobicContact CZ-CE2 3.66Å; F52-F177 AromaticContact CZ-CZ 3.47Å; F52-F177 HydrophobicContact CZ-CZ 3.47Å; F52-F177 VanDerWaalsContact CZ-CZ 3.47Å |
| 53 | L | 94.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.7 | 176.2 | 59.1 | 0 | 0 | 0 | 110.9 | F49 L50 Y55 Q56 C57 Y66 P70 I73 W104 | F49-L53 VanDerWaalsContact O-CB 3.24Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 PolarHBondContact O-N 3.38Å; L50-L53 PolarHBondContact O-N 2.9Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-Y55 PolarHBondContact O-N 2.92Å; L53-Q56 PolarHBondContact O-N 2.96Å; L53-C57 PolarHBondContact O-N 3.38Å; L53-C57 PolarHBondContact O-SG 2.88Å; L53-C57 VanDerWaalsContact O-SG 3.35Å; L53-Y66 HydrophobicContact CD1-CD2 3.29Å; L53-Y66 HydrophobicContact CD1-CE2 3.73Å; L53-Y66 HydrophobicContact CD1-CG 4.24Å; L53-P70 HydrophobicContact CD1-CG 3.89Å; L53-P70 HydrophobicContact CD2-CG 3.93Å; L53-I73 HydrophobicContact CB-CD1 4.34Å; L53-I73 HydrophobicContact CD2-CD1 3.66Å; L53-W104 HydrophobicContact CB-CZ3 4.48Å; L53-W104 HydrophobicContact CD2-CH2 4.15Å; L53-W104 HydrophobicContact CD2-CZ3 3.88Å; L53-W104 HydrophobicContact CG-CH2 4.04Å; L53-W104 HydrophobicContact CG-CZ3 3.86Å |
| 54 | R | 94.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | -178.2 | -172 | 63.6 | -171.3 | 153.6 | 3.3 | 111.8 | L50 V51 F52 Q56 C57 Y58 W104 L107 I114 | L50-R54 VanDerWaalsContact O-CB 3.27Å; L50-R54 WeakPolarHBondContact O-CB 3.45Å; L50-R54 PolarHBondContact O-N 3.33Å; V51-R54 PolarHBondContact O-N 3.35Å; F52-R54 VanDerWaalsContact C-N 3.34Å; F52-R54 PolarHBondContact O-N 3.09Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.21Å; R54-C57 PolarHBondContact O-N 2.93Å; R54-Y58 VanDerWaalsContact O-CB 3.26Å; R54-Y58 WeakPolarHBondContact O-CB 3.23Å; R54-Y58 PolarHBondContact O-N 2.95Å; R54-W104 HydrophobicContact CB-CE3 4.11Å; R54-W104 HydrophobicContact CB-CZ3 3.95Å; R54-W104 HydrophobicContact CG-CE3 4.37Å; R54-W104 HydrophobicContact CG-CZ3 4.47Å; R54-W104 PolarHBondContact NE-O 2.95Å; R54-L107 HydrophobicContact CB-CD1 4.28Å; R54-L107 HydrophobicContact CG-CB 3.85Å; R54-L107 HydrophobicContact CG-CD1 4.43Å; R54-I114 HydrophobicContact CB-CD1 4.05Å; R54-I114 HydrophobicContact CG-CD1 3.91Å |
| 55 | Y | 93.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 174.8 | -174.3 | -82.9 | 0 | 0 | 0 | 110.3 | V51 F52 L53 C57 Y58 Y59 Y61 I114 D115 M118 D170 T172 I173 | V51-Y55 VanDerWaalsContact O-CB 3.31Å; V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.42Å; F52-Y55 PolarHBondContact O-N 3.16Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-Y55 PolarHBondContact O-N 2.92Å; Y55-C57 PolarHBondContact O-N 3.39Å; Y55-Y58 PolarHBondContact O-N 3.47Å; Y55-Y59 HydrophobicContact CD1-CD2 4Å; Y55-Y59 HydrophobicContact CD1-CE2 4.42Å; Y55-Y59 HydrophobicContact CD2-CD2 4.33Å; Y55-Y59 HydrophobicContact CD2-CE2 4.03Å; Y55-Y59 AromaticContact CE1-CD2 3.71Å; Y55-Y59 HydrophobicContact CE1-CD2 3.71Å; Y55-Y59 AromaticContact CE1-CE2 3.94Å; Y55-Y59 HydrophobicContact CE1-CE2 3.94Å; Y55-Y59 HydrophobicContact CE2-CD2 4.04Å; Y55-Y59 AromaticContact CE2-CE2 3.48Å; Y55-Y59 HydrophobicContact CE2-CE2 3.48Å; Y55-Y59 VanDerWaalsContact CE2-CE2 3.48Å; Y55-Y59 HydrophobicContact CG-CD2 4.29Å; Y55-Y59 HydrophobicContact CG-CE2 4.45Å; Y55-Y59 AromaticContact CZ-CD2 3.71Å; Y55-Y59 AromaticContact CZ-CE2 3.41Å; Y55-Y59 VanDerWaalsContact CZ-CE2 3.41Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.41Å; Y55-Y59 PolarHBondContact O-N 3.34Å; Y55-Y59 VanDerWaalsContact O-N 3.15Å; Y55-Y61 HydrophobicContact CE1-CE2 4.17Å; Y55-I114 HydrophobicContact CD2-CG1 3.86Å; Y55-I114 HydrophobicContact CG-CG1 4.37Å; Y55-D115 WeakPolarHBondContact CE2-OD1 3.28Å; Y55-M118 HydrophobicContact CD2-CB 3.48Å; Y55-M118 VanDerWaalsContact CD2-CB 3.48Å; Y55-M118 HydrophobicContact CD2-CG 3.65Å; Y55-M118 HydrophobicContact CE2-CB 3.85Å; Y55-M118 HydrophobicContact CE2-CG 3.85Å; Y55-M118 HydrophobicContact CG-CB 4.23Å; Y55-M118 HydrophobicContact CG-CG 4.06Å; Y55-M118 HydrophobicContact CG-SD 4.41Å; Y55-D170 VanDerWaalsContact CE1-OD2 3.29Å; Y55-D170 WeakPolarHBondContact CE1-OD2 3.3Å; Y55-D170 PolarHBondContact OH-OD2 3.32Å; Y55-T172 HydrophobicContact CE2-CG2 4.39Å; Y55-I173 HydrophobicContact CD1-CD1 4.08Å; Y55-I173 HydrophobicContact CD1-CG1 4.16Å; Y55-I173 HydrophobicContact CE1-CD1 3.83Å; Y55-I173 HydrophobicContact CE1-CG1 3.82Å |
| 56 | Q | 92.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 179.9 | -63.7 | -88.6 | -1.8 | 0 | 0 | 112.9 | F52 L53 R54 G60 Y61 T65 Y66 | F52-Q56 HydrophobicContact CD1-CG 4.16Å; F52-Q56 HydrophobicContact CE1-CG 3.85Å; F52-Q56 HydrophobicContact CZ-CG 4.31Å; F52-Q56 VanDerWaalsContact O-CG 3.24Å; F52-Q56 WeakPolarHBondContact O-CG 3.39Å; F52-Q56 PolarHBondContact O-N 3.31Å; F52-Q56 VanDerWaalsContact O-N 3.09Å; L53-Q56 PolarHBondContact O-N 2.96Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.21Å; Q56-G60 PolarHBondContact O-N 3.35Å; Q56-Y61 HydrophobicContact CB-CD2 4.45Å; Q56-Y61 PolarHBondContact O-N 3.13Å; Q56-Y61 VanDerWaalsContact O-N 3.11Å; Q56-Y61 VanDerWaalsContact OE1-CB 3.31Å; Q56-T65 PolarHBondContact OE1-OG1 2.95Å; Q56-Y66 HydrophobicContact CB-CD1 3.42Å; Q56-Y66 VanDerWaalsContact CB-CD1 3.42Å; Q56-Y66 HydrophobicContact CB-CD2 4.47Å; Q56-Y66 HydrophobicContact CB-CE1 3.83Å; Q56-Y66 HydrophobicContact CB-CG 3.76Å; Q56-Y66 HydrophobicContact CG-CD1 4Å; Q56-Y66 HydrophobicContact CG-CG 4.17Å |
| 57 | C | 91.8 | Very high | 91.1 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.2 | -37.7 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | L53 R54 Y55 G60 | L53-C57 PolarHBondContact O-N 3.38Å; L53-C57 PolarHBondContact O-SG 2.88Å; L53-C57 VanDerWaalsContact O-SG 3.35Å; R54-C57 PolarHBondContact O-N 2.93Å; Y55-C57 PolarHBondContact O-N 3.39Å; C57-G60 PolarHBondContact O-N 3.44Å |
| 58 | Y | 92.6 | Very high | 91 | Very high | 84 Ų | 84 | 37 Ų | 37 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | -178.8 | -177.7 | -87.3 | 0 | 0 | 0 | 111.8 | R54 Y55 G60 K111 I114 | R54-Y58 VanDerWaalsContact O-CB 3.26Å; R54-Y58 WeakPolarHBondContact O-CB 3.23Å; R54-Y58 PolarHBondContact O-N 2.95Å; Y55-Y58 PolarHBondContact O-N 3.47Å; Y58-G60 VanDerWaalsContact C-N 3.29Å; Y58-G60 PolarHBondContact O-N 3.27Å; Y58-K111 HydrophobicContact CE1-CB 4.46Å; Y58-K111 HydrophobicContact CE1-CG 4.3Å; Y58-I114 HydrophobicContact CD1-CG2 3.93Å; Y58-I114 HydrophobicContact CD2-CG2 4.47Å; Y58-I114 HydrophobicContact CE1-CG2 4.07Å; Y58-I114 HydrophobicContact CG-CG2 4.16Å |
| 59 | Y | 91.4 | Very high | 91 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.5 | 177.8 | -75.7 | -78.3 | 0 | 0 | 0 | 114 | Y55 Y61 K111 I114 D115 | Y55-Y59 HydrophobicContact CD1-CD2 4Å; Y55-Y59 HydrophobicContact CD1-CE2 4.42Å; Y55-Y59 HydrophobicContact CD2-CD2 4.33Å; Y55-Y59 HydrophobicContact CD2-CE2 4.03Å; Y55-Y59 AromaticContact CE1-CD2 3.71Å; Y55-Y59 HydrophobicContact CE1-CD2 3.71Å; Y55-Y59 AromaticContact CE1-CE2 3.94Å; Y55-Y59 HydrophobicContact CE1-CE2 3.94Å; Y55-Y59 HydrophobicContact CE2-CD2 4.04Å; Y55-Y59 AromaticContact CE2-CE2 3.48Å; Y55-Y59 HydrophobicContact CE2-CE2 3.48Å; Y55-Y59 VanDerWaalsContact CE2-CE2 3.48Å; Y55-Y59 HydrophobicContact CG-CD2 4.29Å; Y55-Y59 HydrophobicContact CG-CE2 4.45Å; Y55-Y59 AromaticContact CZ-CD2 3.71Å; Y55-Y59 AromaticContact CZ-CE2 3.41Å; Y55-Y59 VanDerWaalsContact CZ-CE2 3.41Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.41Å; Y55-Y59 PolarHBondContact O-N 3.34Å; Y55-Y59 VanDerWaalsContact O-N 3.15Å; Y59-Y61 VanDerWaalsContact C-N 3.34Å; Y59-Y61 HydrophobicContact CD2-CE2 4.44Å; Y59-Y61 HydrophobicContact CG-CE2 4.09Å; Y59-Y61 PolarHBondContact O-N 3.09Å; Y59-K111 WeakPolarHBondContact OH-CE 3.37Å; Y59-I114 HydrophobicContact CE2-CG2 4.5Å; Y59-D115 WeakPolarHBondContact CE2-OD1 2.82Å; Y59-D115 VanDerWaalsContact OH-CG 3.26Å; Y59-D115 PolarHBondContact OH-OD1 3.33Å; Y59-D115 PolarHBondContact OH-OD2 3.01Å |
| 60 | G | 89.4 | Confident | 91 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 66% | 0.66 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 30.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q56 C57 Y58 | Q56-G60 PolarHBondContact O-N 3.35Å; C57-G60 PolarHBondContact O-N 3.44Å; Y58-G60 VanDerWaalsContact C-N 3.29Å; Y58-G60 PolarHBondContact O-N 3.27Å |
| 61 | Y | 89.6 | Confident | 90.9 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | trans | -68.9 | 157.8 | -179.3 | -66 | -45.2 | 0 | 0 | 0 | 112.7 | Y55 Q56 Y59 Y66 T168 D170 I173 | Y55-Y61 HydrophobicContact CE1-CE2 4.17Å; Q56-Y61 HydrophobicContact CB-CD2 4.45Å; Q56-Y61 PolarHBondContact O-N 3.13Å; Q56-Y61 VanDerWaalsContact O-N 3.11Å; Q56-Y61 VanDerWaalsContact OE1-CB 3.31Å; Y59-Y61 VanDerWaalsContact C-N 3.34Å; Y59-Y61 HydrophobicContact CD2-CE2 4.44Å; Y59-Y61 HydrophobicContact CG-CE2 4.09Å; Y59-Y61 PolarHBondContact O-N 3.09Å; Y61-Y66 WeakPolarHBondContact O-CE1 3.41Å; Y61-T168 HydrophobicContact CD1-CG2 3.18Å; Y61-T168 HydrophobicContact CD2-CG2 4.17Å; Y61-T168 HydrophobicContact CE1-CG2 3.75Å; Y61-T168 HydrophobicContact CG-CG2 3.45Å; Y61-T168 VanDerWaalsContact CG-CG2 3.45Å; Y61-D170 HydrophobicContact CE2-CB 4.47Å; Y61-D170 PolarHBondContact OH-OD2 3.35Å; Y61-I173 HydrophobicContact CD2-CD1 3.84Å; Y61-I173 HydrophobicContact CE2-CD1 3.5Å | ||
| 62 | P | 88.7 | Confident | 90.8 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 38% | 0.377 | 22% | 0.219 | S | C | . | . | trans | -60.6 | 131.2 | -177.3 | -23.8 | 34.3 | 0 | 0 | 0 | 112 | L64 T65 | P62-L64 PolarHBondContact O-N 3.02Å; P62-T65 HydrophobicContact CB-CG2 4.34Å; P62-T65 PolarHBondContact O-N 3.04Å; P62-T65 PolarHBondContact O-OG1 2.76Å | ||
| 63 | P | 87.4 | Confident | 90.8 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -54.2 | -34.1 | -173.5 | -29.7 | 35.4 | 0 | 0 | 0 | 115.5 | T65 Y66 L67 | P63-T65 PolarHBondContact O-N 3.35Å; P63-T65 VanDerWaalsContact O-N 3.13Å; P63-Y66 PolarHBondContact O-N 2.93Å; P63-Y66 VanDerWaalsContact O-N 3.13Å; P63-L67 WeakPolarHBondContact O-CB 3.33Å; P63-L67 PolarHBondContact O-N 2.84Å |
| 64 | L | 86.5 | Confident | 90.7 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -59.9 | -21.9 | 179 | -78.9 | 150.2 | 0 | 0 | 0 | 113.7 | N10 P62 Y66 | N10-L64 PolarHBondContact OD1-O 3.28Å; N10-L64 VanDerWaalsContact OD1-O 3.07Å; P62-L64 PolarHBondContact O-N 3.02Å; L64-Y66 VanDerWaalsContact C-N 3.3Å; L64-Y66 PolarHBondContact O-N 3.2Å |
| 65 | T | 85.3 | Confident | 90.6 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -78.3 | -14.1 | 179.7 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | Q56 P62 P63 R160 T167 | Q56-T65 PolarHBondContact OE1-OG1 2.95Å; P62-T65 HydrophobicContact CB-CG2 4.34Å; P62-T65 PolarHBondContact O-N 3.04Å; P62-T65 PolarHBondContact O-OG1 2.76Å; P63-T65 PolarHBondContact O-N 3.35Å; P63-T65 VanDerWaalsContact O-N 3.13Å; T65-R160 PolarHBondContact O-NE 3.29Å; T65-R160 PolarHBondContact O-NH1 3.37Å; T65-R160 PolarHBondContact O-NH2 2.87Å; T65-T167 HydrophobicContact CG2-CG2 4.09Å; T65-T167 WeakPolarHBondContact CG2-OG1 3.4Å |
| 66 | Y | 88.4 | Confident | 90.5 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 8.8 | -177 | 61.7 | -96.5 | 0 | 0 | 0 | 114.9 | L53 Q56 Y61 P63 L64 E68 Y69 P70 | L53-Y66 HydrophobicContact CD1-CD2 3.29Å; L53-Y66 HydrophobicContact CD1-CE2 3.73Å; L53-Y66 HydrophobicContact CD1-CG 4.24Å; Q56-Y66 HydrophobicContact CB-CD1 3.42Å; Q56-Y66 VanDerWaalsContact CB-CD1 3.42Å; Q56-Y66 HydrophobicContact CB-CD2 4.47Å; Q56-Y66 HydrophobicContact CB-CE1 3.83Å; Q56-Y66 HydrophobicContact CB-CG 3.76Å; Q56-Y66 HydrophobicContact CG-CD1 4Å; Q56-Y66 HydrophobicContact CG-CG 4.17Å; Y61-Y66 WeakPolarHBondContact O-CE1 3.41Å; P63-Y66 PolarHBondContact O-N 2.93Å; P63-Y66 VanDerWaalsContact O-N 3.13Å; L64-Y66 VanDerWaalsContact C-N 3.3Å; L64-Y66 PolarHBondContact O-N 3.2Å; Y66-E68 WeakPolarHBondContact CA-OE2 3.3Å; Y66-E68 PolarHBondContact O-N 2.97Å; Y66-E68 VanDerWaalsContact O-N 3.11Å; Y66-Y69 PolarHBondContact O-N 2.73Å; Y66-P70 WeakPolarHBondContact O-CD 3.36Å |
| 67 | L | 89.8 | Confident | 90.5 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.2 | -175.8 | -164.6 | 68.4 | 0 | 0 | 0 | 113.7 | L14 P63 P70 | L14-L67 HydrophobicContact CD1-CB 4.16Å; L14-L67 HydrophobicContact CD1-CD2 4.37Å; L14-L67 HydrophobicContact CD1-CG 4.28Å; L14-L67 HydrophobicContact CD2-CD2 4.21Å; P63-L67 WeakPolarHBondContact O-CB 3.33Å; P63-L67 PolarHBondContact O-N 2.84Å; L67-P70 WeakPolarHBondContact O-CD 3.46Å |
| 68 | E | 90.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.4 | -28.5 | 174.4 | 76.2 | -81.6 | -152.6 | 0 | 0 | 113.2 | L14 C17 Y66 I71 L72 R160 | L14-E68 HydrophobicContact CD1-CB 3.91Å; C17-E68 HydrophobicContact CB-CB 3.81Å; C17-E68 HydrophobicContact CB-CG 4.26Å; Y66-E68 WeakPolarHBondContact CA-OE2 3.3Å; Y66-E68 PolarHBondContact O-N 2.97Å; Y66-E68 VanDerWaalsContact O-N 3.11Å; E68-I71 WeakPolarHBondContact O-CB 3.15Å; E68-I71 PolarHBondContact O-N 3.49Å; E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.43Å; E68-R160 IonicContact OE1-CZ 2.84Å; E68-R160 IonicContact OE1-NE 2.69Å; E68-R160 PolarHBondContact OE1-NE 3.29Å; E68-R160 IonicContact OE1-NH2 3.06Å; E68-R160 PolarHBondContact OE1-NH2 3.21Å; E68-R160 IonicContact OE2-CZ 2.73Å; E68-R160 IonicContact OE2-NH2 3.64Å; E68-R160 PolarHBondContact OE2-NH2 3.21Å |
| 69 | Y | 91.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | -176.1 | -70.4 | -88.6 | 0 | 0 | 0 | 112.8 | F49 F52 Y66 I71 L72 I73 | F49-Y69 HydrophobicContact CB-CD1 4.12Å; F49-Y69 AromaticContact CD1-CD1 3.66Å; F49-Y69 HydrophobicContact CD1-CD1 3.66Å; F49-Y69 AromaticContact CD1-CE1 3.74Å; F49-Y69 HydrophobicContact CD1-CE1 3.74Å; F49-Y69 HydrophobicContact CE1-CD1 4.4Å; F49-Y69 HydrophobicContact CE1-CE1 4.21Å; F49-Y69 HydrophobicContact CG-CD1 4.1Å; F52-Y69 HydrophobicContact CB-CE1 4.31Å; F52-Y69 AromaticContact CD1-CD1 3.89Å; F52-Y69 HydrophobicContact CD1-CD1 3.89Å; F52-Y69 AromaticContact CD1-CD2 3.67Å; F52-Y69 HydrophobicContact CD1-CD2 3.67Å; F52-Y69 AromaticContact CD1-CE1 3.55Å; F52-Y69 HydrophobicContact CD1-CE1 3.55Å; F52-Y69 AromaticContact CD1-CE2 3.32Å; F52-Y69 HydrophobicContact CD1-CE2 3.32Å; F52-Y69 AromaticContact CD1-CG 3.94Å; F52-Y69 HydrophobicContact CD1-CG 3.94Å; F52-Y69 AromaticContact CD1-CZ 3.24Å; F52-Y69 AromaticContact CE1-CD2 3.79Å; F52-Y69 HydrophobicContact CE1-CD2 3.79Å; F52-Y69 HydrophobicContact CE1-CE1 4.13Å; F52-Y69 AromaticContact CE1-CE2 3.12Å; F52-Y69 HydrophobicContact CE1-CE2 3.12Å; F52-Y69 AromaticContact CE1-CZ 3.32Å; F52-Y69 WeakPolarHBondContact CE1-OH 3.34Å; F52-Y69 HydrophobicContact CG-CE1 4.04Å; F52-Y69 HydrophobicContact CG-CE2 4.46Å; F52-Y69 HydrophobicContact CZ-CE2 4.15Å; Y66-Y69 PolarHBondContact O-N 2.73Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 2.86Å; Y69-L72 PolarHBondContact O-N 2.86Å; Y69-I73 WeakPolarHBondContact O-CB 3.46Å; Y69-I73 VanDerWaalsContact O-CG1 3.23Å; Y69-I73 WeakPolarHBondContact O-CG1 3.26Å; Y69-I73 PolarHBondContact O-N 3.39Å |
| 70 | P | 92.4 | Very high | 90.3 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 34% | 0.344 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.2 | -39.9 | 169.8 | -27.4 | 34 | 0 | 0 | 0 | 113.4 | L53 Y66 L67 A74 | L53-P70 HydrophobicContact CD1-CG 3.89Å; L53-P70 HydrophobicContact CD2-CG 3.93Å; Y66-P70 WeakPolarHBondContact O-CD 3.36Å; L67-P70 WeakPolarHBondContact O-CD 3.46Å; P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 2.91Å |
| 71 | I | 92.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 29% | 0.292 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -46.3 | 178.7 | -61.8 | 169.4 | 0 | 0 | 0 | 110.2 | L14 A18 E68 Y69 A74 Q75 | L14-I71 HydrophobicContact CD1-CD1 3.61Å; L14-I71 HydrophobicContact CG-CD1 4.35Å; A18-I71 HydrophobicContact CB-CG2 4.23Å; E68-I71 WeakPolarHBondContact O-CB 3.15Å; E68-I71 PolarHBondContact O-N 3.49Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 2.86Å; I71-A74 PolarHBondContact O-N 3.09Å; I71-Q75 WeakPolarHBondContact O-CG 3.26Å; I71-Q75 PolarHBondContact O-N 3.32Å |
| 72 | L | 91.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 177.2 | -70.3 | 169.5 | 0 | 0 | 0 | 112 | C17 F49 E68 Y69 A74 Q75 D76 | C17-L72 HydrophobicContact CB-CD1 4.17Å; C17-L72 HydrophobicContact CB-CD2 4.06Å; C17-L72 HydrophobicContact CB-CG 4.15Å; F49-L72 HydrophobicContact CD2-CB 3.9Å; F49-L72 HydrophobicContact CE1-CD1 4.29Å; F49-L72 HydrophobicContact CE2-CB 3.76Å; F49-L72 HydrophobicContact CE2-CD1 4.22Å; F49-L72 HydrophobicContact CE2-CG 4.45Å; F49-L72 HydrophobicContact CZ-CB 4.4Å; F49-L72 HydrophobicContact CZ-CD1 4.01Å; E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.43Å; Y69-L72 PolarHBondContact O-N 2.86Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.39Å; L72-Q75 PolarHBondContact O-N 3.3Å; L72-D76 PolarHBondContact O-N 3.01Å |
| 73 | I | 93.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 14% | 0.138 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.8 | -69.5 | 165.2 | 0 | 0 | 0 | 110.3 | L46 F49 L53 Y69 Q75 D76 V77 | L46-I73 HydrophobicContact CD2-CG2 4.06Å; F49-I73 HydrophobicContact CB-CD1 4Å; F49-I73 HydrophobicContact CB-CG1 3.58Å; F49-I73 HydrophobicContact CD2-CG1 4.48Å; L53-I73 HydrophobicContact CB-CD1 4.34Å; L53-I73 HydrophobicContact CD2-CD1 3.66Å; Y69-I73 WeakPolarHBondContact O-CB 3.46Å; Y69-I73 VanDerWaalsContact O-CG1 3.23Å; Y69-I73 WeakPolarHBondContact O-CG1 3.26Å; Y69-I73 PolarHBondContact O-N 3.39Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 3.09Å; I73-D76 PolarHBondContact O-N 3.11Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CB 3.43Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.48Å; I73-V77 PolarHBondContact O-N 3.01Å |
| 74 | A | 92.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 31 Ų | 31 | 43% | 0.43 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P70 I71 L72 V77 I78 | P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 2.91Å; I71-A74 PolarHBondContact O-N 3.09Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.39Å; A74-V77 PolarHBondContact O-N 3.41Å; A74-I78 VanDerWaalsContact O-CG1 3.3Å; A74-I78 WeakPolarHBondContact O-CG1 3.24Å; A74-I78 PolarHBondContact O-N 3.28Å |
| 75 | Q | 92.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.2 | -69.7 | 175.1 | 2.1 | 0 | 0 | 112.5 | A18 K21 I25 I71 L72 I73 I78 L79 | A18-Q75 PolarHBondContact O-NE2 3.33Å; K21-Q75 HydrophobicContact CB-CB 3.93Å; K21-Q75 HydrophobicContact CB-CG 4.48Å; K21-Q75 VanDerWaalsContact CB-OE1 3.31Å; K21-Q75 HydrophobicContact CG-CB 4.2Å; I25-Q75 HydrophobicContact CD1-CB 4.27Å; I25-Q75 HydrophobicContact CD1-CG 4.47Å; I71-Q75 WeakPolarHBondContact O-CG 3.26Å; I71-Q75 PolarHBondContact O-N 3.32Å; L72-Q75 PolarHBondContact O-N 3.3Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 3.09Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.88Å; Q75-L79 PolarHBondContact O-N 3.44Å |
| 76 | D | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -34 | 178.3 | -80.6 | -2.9 | 0 | 0 | 0 | 112.5 | K21 L42 E45 L46 L72 I73 I78 L79 L80 | K21-D76 WeakPolarHBondContact CE-OD1 3.38Å; K21-D76 IonicContact NZ-OD1 2.66Å; K21-D76 PolarHBondContact NZ-OD1 3.35Å; K21-D76 IonicContact NZ-OD2 2.76Å; L42-D76 HydrophobicContact CD1-CB 3.77Å; E45-D76 WeakPolarHBondContact CG-OD2 3.35Å; L46-D76 HydrophobicContact CD1-CB 4.18Å; L46-D76 HydrophobicContact CD2-CB 3.53Å; L46-D76 HydrophobicContact CG-CB 3.65Å; L72-D76 PolarHBondContact O-N 3.01Å; I73-D76 PolarHBondContact O-N 3.11Å; D76-I78 VanDerWaalsContact C-N 3.34Å; D76-L79 PolarHBondContact O-N 3.13Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 PolarHBondContact O-N 2.93Å |
| 77 | V | 91.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 171.2 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L46 I73 A74 L80 L81 L100 | L46-V77 HydrophobicContact CD2-CG2 3.99Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CB 3.43Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.48Å; I73-V77 PolarHBondContact O-N 3.01Å; A74-V77 PolarHBondContact O-N 3.41Å; V77-L80 WeakPolarHBondContact O-CB 3.33Å; V77-L80 PolarHBondContact O-N 3.17Å; V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 2.86Å; V77-L100 HydrophobicContact CG2-CD1 4.46Å |
| 78 | I | 91.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 173.8 | -68.7 | 163.7 | 0 | 0 | 0 | 110.3 | I25 A74 Q75 D76 L80 L81 C82 | I25-I78 HydrophobicContact CD1-CG2 4.3Å; I25-I78 HydrophobicContact CG2-CG2 4.32Å; A74-I78 VanDerWaalsContact O-CG1 3.3Å; A74-I78 WeakPolarHBondContact O-CG1 3.24Å; A74-I78 PolarHBondContact O-N 3.28Å; Q75-I78 WeakPolarHBondContact O-CB 3.3Å; Q75-I78 PolarHBondContact O-N 2.88Å; D76-I78 VanDerWaalsContact C-N 3.34Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 2.91Å; I78-L81 PolarHBondContact O-N 3.37Å; I78-C82 PolarHBondContact O-N 2.92Å; I78-C82 PolarHBondContact O-SG 3.41Å; I78-C82 VanDerWaalsContact O-SG 3.34Å |
| 79 | L | 90.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 175.4 | -75.9 | 173.2 | 0 | 0 | 0 | 112 | K21 Q24 I25 V28 L37 L42 Q75 D76 L81 C82 I83 | K21-L79 HydrophobicContact CD-CD1 4.05Å; Q24-L79 HydrophobicContact CG-CD1 4.21Å; Q24-L79 HydrophobicContact CG-CD2 4.2Å; I25-L79 HydrophobicContact CB-CD2 4.3Å; I25-L79 HydrophobicContact CD1-CG 4.49Å; I25-L79 HydrophobicContact CG1-CD1 4.36Å; I25-L79 HydrophobicContact CG1-CD2 3.54Å; I25-L79 HydrophobicContact CG1-CG 3.69Å; V28-L79 HydrophobicContact CG2-CD2 4.31Å; L37-L79 HydrophobicContact CD1-CD2 4.44Å; L42-L79 HydrophobicContact CD1-CB 4.29Å; L42-L79 HydrophobicContact CD1-CD1 4.36Å; L42-L79 HydrophobicContact CD2-CB 4Å; Q75-L79 PolarHBondContact O-N 3.44Å; D76-L79 PolarHBondContact O-N 3.13Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.09Å; L79-C82 WeakPolarHBondContact O-CB 3.27Å; L79-C82 PolarHBondContact O-N 3.22Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 3.49Å |
| 80 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.8 | -173.1 | 68.7 | 0 | 0 | 0 | 111 | L39 L42 L43 L46 D76 V77 I78 I83 F84 | L39-L80 HydrophobicContact CD1-CD1 3.32Å; L42-L80 HydrophobicContact CD2-CB 3.88Å; L42-L80 HydrophobicContact CD2-CD1 4.03Å; L43-L80 HydrophobicContact CD2-CD1 4Å; L43-L80 HydrophobicContact CD2-CD2 4.39Å; L46-L80 HydrophobicContact CD1-CD2 4.25Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 PolarHBondContact O-N 2.93Å; V77-L80 WeakPolarHBondContact O-CB 3.33Å; V77-L80 PolarHBondContact O-N 3.17Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 2.91Å; L80-I83 WeakPolarHBondContact O-CB 3.4Å; L80-I83 PolarHBondContact O-N 3.34Å; L80-F84 HydrophobicContact CD1-CD2 4.27Å; L80-F84 HydrophobicContact CD1-CE2 3.62Å; L80-F84 HydrophobicContact CG-CD2 4.13Å; L80-F84 HydrophobicContact CG-CE2 3.85Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 3.39Å; L80-F84 VanDerWaalsContact O-N 3.16Å |
| 81 | L | 89.7 | Confident | 87.9 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 42% | 0.419 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176 | -69.8 | 174.1 | 0 | 0 | 0 | 111.8 | V77 I78 L79 I83 F84 H85 A93 I97 | V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 2.86Å; I78-L81 PolarHBondContact O-N 3.37Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.09Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 3.35Å; L81-F84 PolarHBondContact O-N 3.25Å; L81-H85 VanDerWaalsContact O-CB 3.23Å; L81-H85 WeakPolarHBondContact O-CB 3.36Å; L81-H85 PolarHBondContact O-N 3.3Å; L81-A93 HydrophobicContact CD2-CB 4.11Å; L81-I97 HydrophobicContact CD2-CD1 4.22Å |
| 82 | C | 88.5 | Confident | 87.4 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.8 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | V28 I78 L79 F84 H85 F86 | V28-C82 HydrophobicContact CG1-CB 3.88Å; I78-C82 PolarHBondContact O-N 2.92Å; I78-C82 PolarHBondContact O-SG 3.41Å; I78-C82 VanDerWaalsContact O-SG 3.34Å; L79-C82 WeakPolarHBondContact O-CB 3.27Å; L79-C82 PolarHBondContact O-N 3.22Å; C82-F84 PolarHBondContact O-N 2.9Å; C82-H85 PolarHBondContact O-N 3.47Å; C82-F86 HydrophobicContact CB-CD2 4.29Å; C82-F86 HydrophobicContact CB-CE2 4.2Å; C82-F86 WeakPolarHBondContact O-CD2 3.43Å; C82-F86 PolarHBondContact O-N 2.94Å |
| 83 | I | 88.3 | Confident | 87 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -51.7 | 177.1 | -67.5 | 168.2 | 0 | 0 | 0 | 110.8 | A34 L37 L39 L42 L79 L80 L81 N87 | A34-I83 HydrophobicContact CB-CB 4.19Å; A34-I83 HydrophobicContact CB-CG1 3.98Å; A34-I83 HydrophobicContact CB-CG2 4.27Å; L37-I83 HydrophobicContact CB-CD1 3.99Å; L37-I83 HydrophobicContact CB-CG1 4.19Å; L37-I83 HydrophobicContact CD1-CD1 3.93Å; L37-I83 HydrophobicContact CD1-CG1 3.64Å; L39-I83 HydrophobicContact CD1-CD1 4.49Å; L42-I83 HydrophobicContact CD2-CD1 3.65Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 3.49Å; L80-I83 WeakPolarHBondContact O-CB 3.4Å; L80-I83 PolarHBondContact O-N 3.34Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 3.35Å; I83-N87 VanDerWaalsContact O-CB 3.27Å; I83-N87 WeakPolarHBondContact O-CB 3.39Å; I83-N87 VanDerWaalsContact O-CG 3.23Å; I83-N87 PolarHBondContact O-N 3.12Å; I83-N87 PolarHBondContact O-ND2 3.11Å |
| 84 | F | 88.7 | Confident | 86.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.5 | -32.4 | -178.6 | -72.2 | -65.1 | 0 | 0 | 0 | 113.4 | L39 L80 L81 C82 G88 N89 V90 Q92 A93 Y96 | L39-F84 HydrophobicContact CD1-CE2 4.19Å; L39-F84 HydrophobicContact CD1-CZ 4.06Å; L39-F84 HydrophobicContact CD2-CE1 4.41Å; L39-F84 HydrophobicContact CD2-CZ 3.96Å; L80-F84 HydrophobicContact CD1-CD2 4.27Å; L80-F84 HydrophobicContact CD1-CE2 3.62Å; L80-F84 HydrophobicContact CG-CD2 4.13Å; L80-F84 HydrophobicContact CG-CE2 3.85Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 3.39Å; L80-F84 VanDerWaalsContact O-N 3.16Å; L81-F84 PolarHBondContact O-N 3.25Å; C82-F84 PolarHBondContact O-N 2.9Å; F84-G88 PolarHBondContact O-N 3.45Å; F84-N89 CarbonylContact O-C 3.36Å; F84-N89 PolarHBondContact O-N 3.47Å; F84-N89 VanDerWaalsContact O-N 3.13Å; F84-V90 PolarHBondContact O-N 3.21Å; F84-Q92 HydrophobicContact CD1-CB 3.54Å; F84-Q92 HydrophobicContact CE1-CB 3.55Å; F84-Q92 HydrophobicContact CG-CB 4.48Å; F84-Q92 HydrophobicContact CZ-CB 4.48Å; F84-A93 HydrophobicContact CB-CB 4.16Å; F84-A93 HydrophobicContact CD2-CB 3.45Å; F84-A93 VanDerWaalsContact CD2-CB 3.45Å; F84-A93 HydrophobicContact CE2-CB 4.07Å; F84-A93 HydrophobicContact CG-CB 3.93Å; F84-Y96 HydrophobicContact CE1-CE2 4.03Å; F84-Y96 AromaticContact CE2-CD2 3.76Å; F84-Y96 HydrophobicContact CE2-CD2 3.76Å; F84-Y96 AromaticContact CE2-CE2 4Å; F84-Y96 HydrophobicContact CE2-CE2 4Å; F84-Y96 AromaticContact CZ-CD2 3.53Å; F84-Y96 HydrophobicContact CZ-CD2 3.53Å; F84-Y96 AromaticContact CZ-CE2 3.26Å; F84-Y96 HydrophobicContact CZ-CE2 3.26Å |
| 85 | H | 88.3 | Confident | 86.6 | Confident | 119 Ų | 119 | 55.9 Ų | 55.9 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.8 | -51.2 | 174.6 | -176.5 | 76.4 | 0 | 0 | 0 | 111.4 | L81 C82 N87 G88 V90 | L81-H85 VanDerWaalsContact O-CB 3.23Å; L81-H85 WeakPolarHBondContact O-CB 3.36Å; L81-H85 PolarHBondContact O-N 3.3Å; C82-H85 PolarHBondContact O-N 3.47Å; H85-N87 VanDerWaalsContact C-N 3.35Å; H85-N87 PolarHBondContact O-N 3.27Å; H85-G88 PolarHBondContact O-N 3.35Å; H85-G88 VanDerWaalsContact O-N 3.15Å; H85-V90 HydrophobicContact CB-CG1 3.99Å |
| 86 | F | 86.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.7 | -20.7 | -179.3 | -66.1 | -59.9 | 0 | 0 | 0 | 113.8 | V28 L29 R32 A34 C82 G88 | V28-F86 HydrophobicContact CG1-CD2 3.9Å; V28-F86 HydrophobicContact CG1-CE2 3.83Å; L29-F86 HydrophobicContact CD2-CE2 4.48Å; L29-F86 HydrophobicContact CD2-CZ 4.41Å; R32-F86 VanDerWaalsContact C-CD1 3.4Å; R32-F86 HydrophobicContact CB-CD1 4.38Å; R32-F86 HydrophobicContact CB-CE1 3.88Å; R32-F86 HydrophobicContact CG-CE1 4.35Å; R32-F86 WeakPolarHBondContact O-CD1 3.44Å; A34-F86 HydrophobicContact CB-CB 4.41Å; C82-F86 HydrophobicContact CB-CD2 4.29Å; C82-F86 HydrophobicContact CB-CE2 4.2Å; C82-F86 WeakPolarHBondContact O-CD2 3.43Å; C82-F86 PolarHBondContact O-N 2.94Å; F86-G88 PolarHBondContact O-N 2.99Å |
| 87 | N | 82.4 | Confident | 86.2 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0.6 | 169.4 | -74.5 | -14.9 | 0 | 0 | 0 | 113.3 | I83 H85 N89 | I83-N87 VanDerWaalsContact O-CB 3.27Å; I83-N87 WeakPolarHBondContact O-CB 3.39Å; I83-N87 VanDerWaalsContact O-CG 3.23Å; I83-N87 PolarHBondContact O-N 3.12Å; I83-N87 PolarHBondContact O-ND2 3.11Å; H85-N87 VanDerWaalsContact C-N 3.35Å; H85-N87 PolarHBondContact O-N 3.27Å; N87-N89 VanDerWaalsContact C-N 3.35Å; N87-N89 PolarHBondContact O-N 3.36Å |
| 88 | G | 78.6 | Confident | 86.1 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 74% | 0.742 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F84 H85 F86 | F84-G88 PolarHBondContact O-N 3.45Å; H85-G88 PolarHBondContact O-N 3.35Å; H85-G88 VanDerWaalsContact O-N 3.15Å; F86-G88 PolarHBondContact O-N 2.99Å |
| 89 | N | 78.8 | Confident | 86.2 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | trans | -143.8 | 79.3 | 179.2 | -164 | -10.8 | 0 | 0 | 0 | 112.9 | F84 N87 K91 Q92 | F84-N89 CarbonylContact O-C 3.36Å; F84-N89 PolarHBondContact O-N 3.47Å; F84-N89 VanDerWaalsContact O-N 3.13Å; N87-N89 VanDerWaalsContact C-N 3.35Å; N87-N89 PolarHBondContact O-N 3.36Å; N89-K91 PolarHBondContact O-N 2.84Å; N89-K91 VanDerWaalsContact O-N 3.14Å; N89-K91 WeakPolarHBondContact OD1-CB 3.48Å; N89-K91 PolarHBondContact OD1-N 2.98Å; N89-Q92 HydrophobicContact CB-CG 4.14Å; N89-Q92 PolarHBondContact ND2-NE2 3.44Å; N89-Q92 WeakPolarHBondContact O-CB 3.23Å; N89-Q92 PolarHBondContact O-N 3.24Å; N89-Q92 VanDerWaalsContact O-N 3.12Å | ||
| 90 | V | 77.8 | Confident | 86.1 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.1 | 175.6 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | F84 H85 Q92 A93 | F84-V90 PolarHBondContact O-N 3.21Å; H85-V90 HydrophobicContact CB-CG1 3.99Å; V90-Q92 PolarHBondContact O-N 3.24Å; V90-A93 VanDerWaalsContact O-CB 3.26Å; V90-A93 WeakPolarHBondContact O-CB 3.28Å; V90-A93 PolarHBondContact O-N 3.47Å |
| 91 | K | 80.1 | Confident | 86.1 | Confident | 165 Ų | 165 | 68.3 Ų | 68.3 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66.2 | -24.7 | -179.9 | -63.4 | -176.6 | 178.5 | -178.7 | 0 | 112.1 | N89 A93 T94 | N89-K91 PolarHBondContact O-N 2.84Å; N89-K91 VanDerWaalsContact O-N 3.14Å; N89-K91 WeakPolarHBondContact OD1-CB 3.48Å; N89-K91 PolarHBondContact OD1-N 2.98Å; K91-A93 PolarHBondContact O-N 3.09Å; K91-T94 WeakPolarHBondContact O-CB 3.24Å; K91-T94 PolarHBondContact O-N 3.15Å; K91-T94 PolarHBondContact O-OG1 2.89Å |
| 92 | Q | 83.4 | Confident | 86.1 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -66.2 | -17.9 | 174.1 | -70.6 | 177.8 | -7.3 | 0 | 0 | 113 | F84 N89 V90 T94 P95 Y96 | F84-Q92 HydrophobicContact CD1-CB 3.54Å; F84-Q92 HydrophobicContact CE1-CB 3.55Å; F84-Q92 HydrophobicContact CG-CB 4.48Å; F84-Q92 HydrophobicContact CZ-CB 4.48Å; N89-Q92 HydrophobicContact CB-CG 4.14Å; N89-Q92 PolarHBondContact ND2-NE2 3.44Å; N89-Q92 WeakPolarHBondContact O-CB 3.23Å; N89-Q92 PolarHBondContact O-N 3.24Å; N89-Q92 VanDerWaalsContact O-N 3.12Å; V90-Q92 PolarHBondContact O-N 3.24Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; Q92-P95 VanDerWaalsContact O-CD 3.28Å; Q92-P95 WeakPolarHBondContact O-CD 3.46Å; Q92-P95 WeakPolarHBondContact O-CG 3.46Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.48Å; Q92-Y96 WeakPolarHBondContact O-CE2 3.41Å |
| 93 | A | 82.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -29.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L81 F84 V90 K91 Y96 I97 | L81-A93 HydrophobicContact CD2-CB 4.11Å; F84-A93 HydrophobicContact CB-CB 4.16Å; F84-A93 HydrophobicContact CD2-CB 3.45Å; F84-A93 VanDerWaalsContact CD2-CB 3.45Å; F84-A93 HydrophobicContact CE2-CB 4.07Å; F84-A93 HydrophobicContact CG-CB 3.93Å; V90-A93 VanDerWaalsContact O-CB 3.26Å; V90-A93 WeakPolarHBondContact O-CB 3.28Å; V90-A93 PolarHBondContact O-N 3.47Å; K91-A93 PolarHBondContact O-N 3.09Å; A93-Y96 PolarHBondContact O-N 3.36Å; A93-Y96 VanDerWaalsContact O-N 3.09Å; A93-I97 PolarHBondContact O-N 2.81Å; A93-I97 VanDerWaalsContact O-N 3.08Å |
| 94 | T | 86 | Confident | 86.4 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -51.8 | -52.2 | -174.9 | -42.3 | 0 | 0 | 0 | 0 | 114.1 | K91 Q92 Y96 I97 A98 | K91-T94 WeakPolarHBondContact O-CB 3.24Å; K91-T94 PolarHBondContact O-N 3.15Å; K91-T94 PolarHBondContact O-OG1 2.89Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; T94-Y96 VanDerWaalsContact C-N 3.28Å; T94-Y96 PolarHBondContact O-N 3.47Å; T94-I97 PolarHBondContact O-N 3.1Å; T94-A98 WeakPolarHBondContact O-CB 3.49Å; T94-A98 PolarHBondContact O-N 3.34Å |
| 95 | P | 90 | Very high | 86.5 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 178.6 | 23 | -35.5 | 0 | 0 | 0 | 112.8 | Q92 A98 V99 | Q92-P95 VanDerWaalsContact O-CD 3.28Å; Q92-P95 WeakPolarHBondContact O-CD 3.46Å; Q92-P95 WeakPolarHBondContact O-CG 3.46Å; P95-A98 PolarHBondContact O-N 3.32Å; P95-V99 VanDerWaalsContact O-CG2 3.27Å; P95-V99 WeakPolarHBondContact O-CG2 3.43Å; P95-V99 PolarHBondContact O-N 3.37Å |
| 96 | Y | 88.4 | Confident | 86.6 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 179 | -60.2 | -81.2 | 0 | 0 | 0 | 111.9 | L43 F84 Q92 A93 T94 A98 V99 L100 | L43-Y96 HydrophobicContact CD1-CD1 3.64Å; L43-Y96 HydrophobicContact CD1-CE1 3.42Å; L43-Y96 VanDerWaalsContact CD1-CE1 3.42Å; L43-Y96 HydrophobicContact CD2-CD1 3.63Å; L43-Y96 HydrophobicContact CD2-CE1 4.3Å; L43-Y96 HydrophobicContact CD2-CG 4.21Å; L43-Y96 HydrophobicContact CG-CD1 4.3Å; F84-Y96 HydrophobicContact CE1-CE2 4.03Å; F84-Y96 AromaticContact CE2-CD2 3.76Å; F84-Y96 HydrophobicContact CE2-CD2 3.76Å; F84-Y96 AromaticContact CE2-CE2 4Å; F84-Y96 HydrophobicContact CE2-CE2 4Å; F84-Y96 AromaticContact CZ-CD2 3.53Å; F84-Y96 HydrophobicContact CZ-CD2 3.53Å; F84-Y96 AromaticContact CZ-CE2 3.26Å; F84-Y96 HydrophobicContact CZ-CE2 3.26Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.48Å; Q92-Y96 WeakPolarHBondContact O-CE2 3.41Å; A93-Y96 PolarHBondContact O-N 3.36Å; A93-Y96 VanDerWaalsContact O-N 3.09Å; T94-Y96 VanDerWaalsContact C-N 3.28Å; T94-Y96 PolarHBondContact O-N 3.47Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-V99 PolarHBondContact O-N 3.22Å; Y96-L100 WeakPolarHBondContact O-CG 3.23Å; Y96-L100 PolarHBondContact O-N 2.97Å |
| 97 | I | 87.3 | Confident | 86.7 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.6 | -63.6 | 176.9 | 0 | 0 | 0 | 110.2 | L81 A93 T94 V99 L100 V101 | L81-I97 HydrophobicContact CD2-CD1 4.22Å; A93-I97 PolarHBondContact O-N 2.81Å; A93-I97 VanDerWaalsContact O-N 3.08Å; T94-I97 PolarHBondContact O-N 3.1Å; I97-V99 VanDerWaalsContact C-N 3.31Å; I97-V99 PolarHBondContact O-N 3.29Å; I97-L100 PolarHBondContact O-N 3.39Å; I97-V101 HydrophobicContact CG2-CG2 4.33Å; I97-V101 WeakPolarHBondContact O-CG2 3.07Å; I97-V101 PolarHBondContact O-N 3.45Å |
| 98 | A | 90.3 | Very high | 87 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T94 P95 Y96 V101 S102 | T94-A98 WeakPolarHBondContact O-CB 3.49Å; T94-A98 PolarHBondContact O-N 3.34Å; P95-A98 PolarHBondContact O-N 3.32Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; A98-V101 PolarHBondContact O-N 3.42Å; A98-S102 WeakPolarHBondContact O-CB 3.35Å; A98-S102 PolarHBondContact O-N 3.24Å; A98-S102 PolarHBondContact O-OG 3.4Å; A98-S102 VanDerWaalsContact O-OG 3.13Å |
| 99 | V | 92.3 | Very high | 87.3 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | P95 Y96 I97 S102 S103 | P95-V99 VanDerWaalsContact O-CG2 3.27Å; P95-V99 WeakPolarHBondContact O-CG2 3.43Å; P95-V99 PolarHBondContact O-N 3.37Å; Y96-V99 PolarHBondContact O-N 3.22Å; I97-V99 VanDerWaalsContact C-N 3.31Å; I97-V99 PolarHBondContact O-N 3.29Å; V99-S102 WeakPolarHBondContact CA-OG 3.46Å; V99-S102 PolarHBondContact O-OG 3.34Å; V99-S102 VanDerWaalsContact O-OG 3.08Å; V99-S103 WeakPolarHBondContact O-CB 3.34Å; V99-S103 PolarHBondContact O-N 3.47Å; V99-S103 PolarHBondContact O-OG 3.45Å |
| 100 | L | 89.2 | Confident | 87.7 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.9 | -75.7 | 167.3 | 0 | 0 | 0 | 111.4 | L46 L50 V77 Y96 I97 S103 W104 | L46-L100 HydrophobicContact CB-CD2 4.19Å; L46-L100 HydrophobicContact CD1-CD1 4.3Å; L50-L100 HydrophobicContact CD2-CD2 4.06Å; L50-L100 WeakPolarHBondContact CD2-O 3.45Å; V77-L100 HydrophobicContact CG2-CD1 4.46Å; Y96-L100 WeakPolarHBondContact O-CG 3.23Å; Y96-L100 PolarHBondContact O-N 2.97Å; I97-L100 PolarHBondContact O-N 3.39Å; L100-S103 PolarHBondContact O-N 2.98Å; L100-W104 PolarHBondContact O-N 3.28Å |
| 101 | V | 90.4 | Very high | 88.2 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | I97 A98 S103 W104 F105 | I97-V101 HydrophobicContact CG2-CG2 4.33Å; I97-V101 WeakPolarHBondContact O-CG2 3.07Å; I97-V101 PolarHBondContact O-N 3.45Å; A98-V101 PolarHBondContact O-N 3.42Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.08Å; V101-W104 WeakPolarHBondContact O-CB 3.39Å; V101-W104 PolarHBondContact O-N 3.22Å; V101-F105 HydrophobicContact CG1-CD2 4.44Å; V101-F105 HydrophobicContact CG1-CE2 3.91Å; V101-F105 WeakPolarHBondContact O-CD2 3.24Å |
| 102 | S | 91.2 | Very high | 88.8 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.5 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | A98 V99 W104 F105 V106 | A98-S102 WeakPolarHBondContact O-CB 3.35Å; A98-S102 PolarHBondContact O-N 3.24Å; A98-S102 PolarHBondContact O-OG 3.4Å; A98-S102 VanDerWaalsContact O-OG 3.13Å; V99-S102 WeakPolarHBondContact CA-OG 3.46Å; V99-S102 PolarHBondContact O-OG 3.34Å; V99-S102 VanDerWaalsContact O-OG 3.08Å; S102-W104 VanDerWaalsContact C-N 3.27Å; S102-W104 PolarHBondContact O-N 2.8Å; S102-F105 PolarHBondContact O-N 3.07Å; S102-F105 VanDerWaalsContact O-N 3.16Å; S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 2.91Å |
| 103 | S | 90.4 | Very high | 89.1 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | V99 L100 V101 F105 V106 L107 | V99-S103 WeakPolarHBondContact O-CB 3.34Å; V99-S103 PolarHBondContact O-N 3.47Å; V99-S103 PolarHBondContact O-OG 3.45Å; L100-S103 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.08Å; S103-F105 VanDerWaalsContact C-N 3.3Å; S103-F105 PolarHBondContact O-N 3.47Å; S103-V106 PolarHBondContact O-N 3.21Å; S103-L107 VanDerWaalsContact O-CB 3.26Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 WeakPolarHBondContact O-CD1 3.41Å; S103-L107 WeakPolarHBondContact O-CG 3.26Å; S103-L107 PolarHBondContact O-N 2.88Å |
| 104 | W | 91.3 | Very high | 89.6 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 176.9 | -179.8 | -101.2 | 0 | 0 | 0 | 112.8 | L50 L53 R54 L100 V101 S102 | L50-W104 HydrophobicContact CD1-CE3 3.62Å; L50-W104 HydrophobicContact CD1-CZ3 4.21Å; L50-W104 HydrophobicContact CG-CE3 4.46Å; L53-W104 HydrophobicContact CB-CZ3 4.48Å; L53-W104 HydrophobicContact CD2-CH2 4.15Å; L53-W104 HydrophobicContact CD2-CZ3 3.88Å; L53-W104 HydrophobicContact CG-CH2 4.04Å; L53-W104 HydrophobicContact CG-CZ3 3.86Å; R54-W104 HydrophobicContact CB-CE3 4.11Å; R54-W104 HydrophobicContact CB-CZ3 3.95Å; R54-W104 HydrophobicContact CG-CE3 4.37Å; R54-W104 HydrophobicContact CG-CZ3 4.47Å; R54-W104 PolarHBondContact NE-O 2.95Å; L100-W104 PolarHBondContact O-N 3.28Å; V101-W104 WeakPolarHBondContact O-CB 3.39Å; V101-W104 PolarHBondContact O-N 3.22Å; S102-W104 VanDerWaalsContact C-N 3.27Å; S102-W104 PolarHBondContact O-N 2.8Å |
| 105 | F | 91.4 | Very high | 89.9 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -76.5 | -44 | 178.3 | -64.3 | -75.6 | 0 | 0 | 0 | 111.8 | V101 S102 S103 L107 A108 | V101-F105 HydrophobicContact CG1-CD2 4.44Å; V101-F105 HydrophobicContact CG1-CE2 3.91Å; V101-F105 WeakPolarHBondContact O-CD2 3.24Å; S102-F105 PolarHBondContact O-N 3.07Å; S102-F105 VanDerWaalsContact O-N 3.16Å; S103-F105 VanDerWaalsContact C-N 3.3Å; S103-F105 PolarHBondContact O-N 3.47Å; F105-L107 PolarHBondContact O-N 2.85Å; F105-A108 VanDerWaalsContact O-CB 3.27Å; F105-A108 WeakPolarHBondContact O-CB 3.31Å; F105-A108 PolarHBondContact O-N 3.49Å; F105-A108 VanDerWaalsContact O-N 3.09Å |
| 106 | V | 90.3 | Very high | 90 | Very high | 74 Ų | 74 | 70.7 Ų | 70.7 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | -177.6 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | S102 S103 A108 L109 | S102-V106 WeakPolarHBondContact O-CG2 3.38Å; S102-V106 PolarHBondContact O-N 2.91Å; S103-V106 PolarHBondContact O-N 3.21Å; V106-A108 PolarHBondContact O-N 3.06Å; V106-A108 VanDerWaalsContact O-N 3.13Å; V106-L109 HydrophobicContact CB-CD1 4.42Å; V106-L109 HydrophobicContact CG1-CD1 4.41Å; V106-L109 HydrophobicContact CG2-CD1 4.45Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 2.86Å; V106-L109 VanDerWaalsContact O-N 3.09Å |
| 107 | L | 89 | Confident | 90.2 | Very high | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.2 | 178.2 | -74.6 | 172.3 | 0 | 0 | 0 | 112.5 | V51 R54 S103 F105 I113 I114 A117 | V51-L107 HydrophobicContact CG2-CD1 3.92Å; V51-L107 HydrophobicContact CG2-CD2 4.37Å; R54-L107 HydrophobicContact CB-CD1 4.28Å; R54-L107 HydrophobicContact CG-CB 3.85Å; R54-L107 HydrophobicContact CG-CD1 4.43Å; S103-L107 VanDerWaalsContact O-CB 3.26Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 WeakPolarHBondContact O-CD1 3.41Å; S103-L107 WeakPolarHBondContact O-CG 3.26Å; S103-L107 PolarHBondContact O-N 2.88Å; F105-L107 PolarHBondContact O-N 2.85Å; L107-I113 HydrophobicContact CD2-CG2 4.35Å; L107-I114 HydrophobicContact CB-CD1 3.97Å; L107-I114 HydrophobicContact CD2-CD1 4.32Å; L107-I114 WeakPolarHBondContact O-CB 3.49Å; L107-A117 HydrophobicContact CD2-CB 3.54Å |
| 108 | A | 87.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | F105 V106 Q110 | F105-A108 VanDerWaalsContact O-CB 3.27Å; F105-A108 WeakPolarHBondContact O-CB 3.31Å; F105-A108 PolarHBondContact O-N 3.49Å; F105-A108 VanDerWaalsContact O-N 3.09Å; V106-A108 PolarHBondContact O-N 3.06Å; V106-A108 VanDerWaalsContact O-N 3.13Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 2.88Å |
| 109 | L | 85.8 | Confident | 90.6 | Very high | 115 Ų | 115 | 66 Ų | 66 | 60% | 0.602 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.2 | -37.9 | -164.4 | -76.4 | 168.5 | 0 | 0 | 0 | 112.3 | V106 I113 | V106-L109 HydrophobicContact CB-CD1 4.42Å; V106-L109 HydrophobicContact CG1-CD1 4.41Å; V106-L109 HydrophobicContact CG2-CD1 4.45Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 2.86Å; V106-L109 VanDerWaalsContact O-N 3.09Å; L109-I113 HydrophobicContact CB-CD1 4.45Å |
| 110 | Q | 87.3 | Confident | 90.6 | Very high | 110 Ų | 110 | 66.1 Ų | 66.1 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | trans | -146.4 | 141.1 | -174.1 | -64.3 | -67.8 | -53.6 | 0 | 0 | 110.6 | A108 W112 I113 I114 | A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 2.88Å; Q110-W112 VanDerWaalsContact C-N 3.31Å; Q110-W112 PolarHBondContact O-N 3.17Å; Q110-I113 HydrophobicContact CB-CD1 3.82Å; Q110-I113 HydrophobicContact CB-CG1 3.96Å; Q110-I113 HydrophobicContact CG-CD1 4.16Å; Q110-I113 WeakPolarHBondContact O-CB 3.14Å; Q110-I113 PolarHBondContact O-N 3.4Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; Q110-I114 PolarHBondContact O-N 3.36Å | ||
| 111 | K | 88.5 | Confident | 90.6 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.1 | -43.8 | 179.6 | -172.1 | -177.6 | 177 | -174.5 | 0 | 113.1 | Y58 Y59 I113 I114 D115 | Y58-K111 HydrophobicContact CE1-CB 4.46Å; Y58-K111 HydrophobicContact CE1-CG 4.3Å; Y59-K111 WeakPolarHBondContact OH-CE 3.37Å; K111-I113 PolarHBondContact O-N 3.35Å; K111-I114 WeakPolarHBondContact O-CG2 3.24Å; K111-I114 PolarHBondContact O-N 2.98Å; K111-D115 PolarHBondContact O-N 3.22Å; K111-D115 VanDerWaalsContact O-N 3.08Å |
| 112 | W | 91.6 | Very high | 90.6 | Very high | 163 Ų | 163 | 62.1 Ų | 62.1 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.9 | -29.6 | -178.4 | 73.6 | -94.7 | 0 | 0 | 0 | 112.6 | Q110 L116 | Q110-W112 VanDerWaalsContact C-N 3.31Å; Q110-W112 PolarHBondContact O-N 3.17Å; W112-L116 HydrophobicContact CE3-CD2 4.26Å; W112-L116 HydrophobicContact CZ3-CD2 3.96Å; W112-L116 WeakPolarHBondContact O-CB 3.17Å; W112-L116 PolarHBondContact O-N 2.94Å |
| 113 | I | 91 | Very high | 90.6 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.3 | -47.9 | 178.7 | -62.6 | 174.5 | 0 | 0 | 0 | 109.6 | L107 L109 Q110 K111 A117 | L107-I113 HydrophobicContact CD2-CG2 4.35Å; L109-I113 HydrophobicContact CB-CD1 4.45Å; Q110-I113 HydrophobicContact CB-CD1 3.82Å; Q110-I113 HydrophobicContact CB-CG1 3.96Å; Q110-I113 HydrophobicContact CG-CD1 4.16Å; Q110-I113 WeakPolarHBondContact O-CB 3.14Å; Q110-I113 PolarHBondContact O-N 3.4Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; K111-I113 PolarHBondContact O-N 3.35Å; I113-A117 VanDerWaalsContact O-CB 3.23Å; I113-A117 WeakPolarHBondContact O-CB 3.46Å; I113-A117 PolarHBondContact O-N 2.96Å |
| 114 | I | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | -178.1 | -167.7 | 65.2 | 0 | 0 | 0 | 111.9 | R54 Y55 Y58 Y59 L107 Q110 K111 A117 M118 | R54-I114 HydrophobicContact CB-CD1 4.05Å; R54-I114 HydrophobicContact CG-CD1 3.91Å; Y55-I114 HydrophobicContact CD2-CG1 3.86Å; Y55-I114 HydrophobicContact CG-CG1 4.37Å; Y58-I114 HydrophobicContact CD1-CG2 3.93Å; Y58-I114 HydrophobicContact CD2-CG2 4.47Å; Y58-I114 HydrophobicContact CE1-CG2 4.07Å; Y58-I114 HydrophobicContact CG-CG2 4.16Å; Y59-I114 HydrophobicContact CE2-CG2 4.5Å; L107-I114 HydrophobicContact CB-CD1 3.97Å; L107-I114 HydrophobicContact CD2-CD1 4.32Å; L107-I114 WeakPolarHBondContact O-CB 3.49Å; Q110-I114 PolarHBondContact O-N 3.36Å; K111-I114 WeakPolarHBondContact O-CG2 3.24Å; K111-I114 PolarHBondContact O-N 2.98Å; I114-A117 PolarHBondContact O-N 3.36Å; I114-M118 WeakPolarHBondContact O-CB 3.1Å; I114-M118 PolarHBondContact O-N 3.33Å |
| 115 | D | 91.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.2 | -69.3 | -17.5 | 0 | 0 | 0 | 111.3 | Y55 Y59 K111 M118 N119 | Y55-D115 WeakPolarHBondContact CE2-OD1 3.28Å; Y59-D115 WeakPolarHBondContact CE2-OD1 2.82Å; Y59-D115 VanDerWaalsContact OH-CG 3.26Å; Y59-D115 PolarHBondContact OH-OD1 3.33Å; Y59-D115 PolarHBondContact OH-OD2 3.01Å; K111-D115 PolarHBondContact O-N 3.22Å; K111-D115 VanDerWaalsContact O-N 3.08Å; D115-M118 PolarHBondContact O-N 3.35Å; D115-N119 PolarHBondContact O-N 2.96Å; D115-N119 VanDerWaalsContact O-N 3.07Å; D115-N119 PolarHBondContact O-ND2 3.19Å |
| 116 | L | 92.2 | Very high | 90.3 | Very high | 84 Ų | 84 | 60.6 Ų | 60.6 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.6 | -179.2 | 62.8 | 0 | 0 | 0 | 111.1 | W112 M118 N119 L120 | W112-L116 HydrophobicContact CE3-CD2 4.26Å; W112-L116 HydrophobicContact CZ3-CD2 3.96Å; W112-L116 WeakPolarHBondContact O-CB 3.17Å; W112-L116 PolarHBondContact O-N 2.94Å; L116-M118 VanDerWaalsContact C-N 3.31Å; L116-M118 PolarHBondContact O-N 3.01Å; L116-N119 PolarHBondContact O-N 3.49Å; L116-L120 HydrophobicContact CD1-CD1 4.07Å; L116-L120 HydrophobicContact CD1-CG 4.08Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 HydrophobicContact CG-CD1 3.85Å; L116-L120 HydrophobicContact CG-CG 4.28Å; L116-L120 WeakPolarHBondContact O-CB 3.48Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.32Å |
| 117 | A | 92.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V51 L107 I113 I114 L120 C121 | V51-A117 HydrophobicContact CG1-CB 3.87Å; V51-A117 HydrophobicContact CG2-CB 4.25Å; L107-A117 HydrophobicContact CD2-CB 3.54Å; I113-A117 VanDerWaalsContact O-CB 3.23Å; I113-A117 WeakPolarHBondContact O-CB 3.46Å; I113-A117 PolarHBondContact O-N 2.96Å; I114-A117 PolarHBondContact O-N 3.36Å; A117-L120 PolarHBondContact O-N 3.42Å; A117-C121 WeakPolarHBondContact O-CB 3.44Å; A117-C121 PolarHBondContact O-N 2.89Å |
| 118 | M | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.8 | 179.8 | 58 | 169.2 | 0 | 0 | 112.5 | V51 F52 Y55 I114 D115 L116 T122 T172 I173 R176 | V51-M118 HydrophobicContact CG1-CB 4.41Å; F52-M118 HydrophobicContact CD2-CE 3.57Å; F52-M118 HydrophobicContact CD2-SD 3.94Å; F52-M118 HydrophobicContact CE2-CE 3.68Å; Y55-M118 HydrophobicContact CD2-CB 3.48Å; Y55-M118 VanDerWaalsContact CD2-CB 3.48Å; Y55-M118 HydrophobicContact CD2-CG 3.65Å; Y55-M118 HydrophobicContact CE2-CB 3.85Å; Y55-M118 HydrophobicContact CE2-CG 3.85Å; Y55-M118 HydrophobicContact CG-CB 4.23Å; Y55-M118 HydrophobicContact CG-CG 4.06Å; Y55-M118 HydrophobicContact CG-SD 4.41Å; I114-M118 WeakPolarHBondContact O-CB 3.1Å; I114-M118 PolarHBondContact O-N 3.33Å; D115-M118 PolarHBondContact O-N 3.35Å; L116-M118 VanDerWaalsContact C-N 3.31Å; L116-M118 PolarHBondContact O-N 3.01Å; M118-T122 PolarHBondContact O-N 3.19Å; M118-T122 PolarHBondContact O-OG1 2.96Å; M118-T172 HydrophobicContact CE-CG2 4.38Å; M118-T172 HydrophobicContact CG-CG2 3.7Å; M118-I173 HydrophobicContact CE-CG1 3.98Å; M118-R176 HydrophobicContact CE-CB 4.43Å; M118-R176 VanDerWaalsContact CE-CD 3.47Å |
| 119 | N | 91.8 | Very high | 90.1 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 176.3 | -76.3 | -48.5 | 0 | 0 | 0 | 112 | D115 L116 C121 T122 F123 | D115-N119 PolarHBondContact O-N 2.96Å; D115-N119 VanDerWaalsContact O-N 3.07Å; D115-N119 PolarHBondContact O-ND2 3.19Å; L116-N119 PolarHBondContact O-N 3.49Å; N119-C121 VanDerWaalsContact C-N 3.35Å; N119-C121 PolarHBondContact O-N 3.28Å; N119-T122 WeakPolarHBondContact O-CB 3.3Å; N119-T122 PolarHBondContact O-N 3.34Å; N119-F123 PolarHBondContact O-N 2.96Å |
| 120 | L | 91.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176 | -71.4 | 175.3 | 0 | 0 | 0 | 111.6 | L116 A117 T122 F123 I124 | L116-L120 HydrophobicContact CD1-CD1 4.07Å; L116-L120 HydrophobicContact CD1-CG 4.08Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 HydrophobicContact CG-CD1 3.85Å; L116-L120 HydrophobicContact CG-CG 4.28Å; L116-L120 WeakPolarHBondContact O-CB 3.48Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.32Å; A117-L120 PolarHBondContact O-N 3.42Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 2.87Å; L120-F123 PolarHBondContact O-N 3.11Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 VanDerWaalsContact O-CG1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.19Å; L120-I124 PolarHBondContact O-N 3.39Å |
| 121 | C | 90.6 | Very high | 90 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | G48 V51 A117 N119 S125 R176 | G48-C121 WeakPolarHBondContact CA-SG 3.18Å; V51-C121 HydrophobicContact CG1-CB 4.16Å; A117-C121 WeakPolarHBondContact O-CB 3.44Å; A117-C121 PolarHBondContact O-N 2.89Å; N119-C121 VanDerWaalsContact C-N 3.35Å; N119-C121 PolarHBondContact O-N 3.28Å; C121-S125 VanDerWaalsContact O-CB 3.24Å; C121-S125 WeakPolarHBondContact O-CB 3.19Å; C121-S125 PolarHBondContact O-N 2.98Å; C121-S125 PolarHBondContact O-OG 2.97Å; C121-R176 PolarHBondContact SG-NH1 2.91Å |
| 122 | T | 89.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111.2 | M118 N119 L120 S125 A126 R176 M180 | M118-T122 PolarHBondContact O-N 3.19Å; M118-T122 PolarHBondContact O-OG1 2.96Å; N119-T122 WeakPolarHBondContact O-CB 3.3Å; N119-T122 PolarHBondContact O-N 3.34Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 2.87Å; T122-S125 PolarHBondContact O-N 3.47Å; T122-A126 WeakPolarHBondContact O-CB 3.43Å; T122-A126 PolarHBondContact O-N 2.92Å; T122-R176 HydrophobicContact CG2-CB 3.87Å; T122-R176 HydrophobicContact CG2-CG 3.94Å; T122-R176 WeakPolarHBondContact OG1-CG 3.25Å; T122-R176 PolarHBondContact OG1-NH1 3.39Å; T122-M180 HydrophobicContact CG2-CE 4.02Å; T122-M180 VanDerWaalsContact O-CE 3.28Å; T122-M180 WeakPolarHBondContact O-CE 3.22Å |
| 123 | F | 90.4 | Very high | 89.5 | Confident | 149 Ų | 149 | 48 Ų | 48 | 65% | 0.654 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.7 | -49.3 | 176.9 | -177.9 | -98.5 | 0 | 0 | 0 | 112.3 | N119 L120 S125 A126 A127 | N119-F123 PolarHBondContact O-N 2.96Å; L120-F123 PolarHBondContact O-N 3.11Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.43Å; F123-A126 PolarHBondContact O-N 2.99Å; F123-A126 VanDerWaalsContact O-N 3.17Å; F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 3.44Å |
| 124 | I | 89.3 | Confident | 89.2 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 177.8 | -68.7 | 165.6 | 0 | 0 | 0 | 110.5 | L44 L120 A126 A127 S128 | L44-I124 HydrophobicContact CD1-CG2 4.16Å; L44-I124 HydrophobicContact CD2-CG2 4.06Å; L44-I124 HydrophobicContact CG-CG2 4.43Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 VanDerWaalsContact O-CG1 3.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.19Å; L120-I124 PolarHBondContact O-N 3.39Å; I124-A126 VanDerWaalsContact C-N 3.3Å; I124-A126 PolarHBondContact O-N 3.47Å; I124-A127 PolarHBondContact O-N 2.85Å; I124-S128 WeakPolarHBondContact O-CB 3.34Å; I124-S128 PolarHBondContact O-N 2.98Å |
| 125 | S | 88.4 | Confident | 88.7 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 178.5 | -66 | 0 | 0 | 0 | 0 | 112.3 | C121 T122 F123 K129 | C121-S125 VanDerWaalsContact O-CB 3.24Å; C121-S125 WeakPolarHBondContact O-CB 3.19Å; C121-S125 PolarHBondContact O-N 2.98Å; C121-S125 PolarHBondContact O-OG 2.97Å; T122-S125 PolarHBondContact O-N 3.47Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.43Å; S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 3.03Å |
| 126 | A | 89.3 | Confident | 88.3 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.1 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | T122 F123 I124 S128 K129 F130 I179 M180 L183 | T122-A126 WeakPolarHBondContact O-CB 3.43Å; T122-A126 PolarHBondContact O-N 2.92Å; F123-A126 PolarHBondContact O-N 2.99Å; F123-A126 VanDerWaalsContact O-N 3.17Å; I124-A126 VanDerWaalsContact C-N 3.3Å; I124-A126 PolarHBondContact O-N 3.47Å; A126-S128 VanDerWaalsContact C-N 3.29Å; A126-S128 PolarHBondContact O-N 3.07Å; A126-K129 PolarHBondContact O-N 3.13Å; A126-F130 PolarHBondContact O-N 3.5Å; A126-I179 HydrophobicContact CB-CG2 4.06Å; A126-M180 HydrophobicContact CB-CE 4.24Å; A126-L183 HydrophobicContact CB-CD1 3.67Å |
| 127 | A | 89.4 | Confident | 87.8 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F123 I124 F130 A131 | F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 3.44Å; I124-A127 PolarHBondContact O-N 2.85Å; A127-F130 PolarHBondContact O-N 3.37Å; A127-A131 WeakPolarHBondContact O-CB 3.3Å; A127-A131 PolarHBondContact O-N 3.45Å |
| 128 | S | 85.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.8 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | I124 A126 F130 A131 Q132 | I124-S128 WeakPolarHBondContact O-CB 3.34Å; I124-S128 PolarHBondContact O-N 2.98Å; A126-S128 VanDerWaalsContact C-N 3.29Å; A126-S128 PolarHBondContact O-N 3.07Å; S128-F130 VanDerWaalsContact C-N 3.33Å; S128-F130 PolarHBondContact O-N 3.15Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-Q132 WeakPolarHBondContact O-CG 3.33Å; S128-Q132 PolarHBondContact O-N 2.91Å; S128-Q132 PolarHBondContact OG-NE2 3.39Å |
| 129 | K | 87.2 | Confident | 86.7 | Confident | 37 Ų | 37 | 64 Ų | 64 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 177.7 | -68.6 | 179 | 175.2 | 62.4 | 0 | 111.8 | S125 A126 Q132 L133 W150 M180 L183 N184 | S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 3.03Å; A126-K129 PolarHBondContact O-N 3.13Å; K129-Q132 PolarHBondContact O-N 3.43Å; K129-L133 PolarHBondContact O-N 3.36Å; K129-W150 HydrophobicContact CB-CH2 4.44Å; K129-W150 HydrophobicContact CD-CZ3 4Å; K129-W150 HydrophobicContact CG-CH2 3.93Å; K129-W150 HydrophobicContact CG-CZ3 3.87Å; K129-M180 HydrophobicContact CD-SD 4.04Å; K129-M180 PolarHBondContact NZ-SD 3.05Å; K129-M180 VanDerWaalsContact NZ-SD 3.4Å; K129-L183 HydrophobicContact CB-CB 4.12Å; K129-L183 HydrophobicContact CB-CD1 4.2Å; K129-L183 HydrophobicContact CD-CB 3.8Å; K129-L183 HydrophobicContact CD-CD1 4.32Å; K129-N184 WeakPolarHBondContact CD-OD1 3.41Å; K129-N184 WeakPolarHBondContact CE-OD1 3.44Å |
| 130 | F | 86.6 | Confident | 86.1 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.3 | -169.3 | -105.2 | 0 | 0 | 0 | 112 | A126 A127 S128 Q132 L133 Q134 | A126-F130 PolarHBondContact O-N 3.5Å; A127-F130 PolarHBondContact O-N 3.37Å; S128-F130 VanDerWaalsContact C-N 3.33Å; S128-F130 PolarHBondContact O-N 3.15Å; F130-Q132 VanDerWaalsContact C-N 3.31Å; F130-Q132 PolarHBondContact O-N 3.26Å; F130-L133 WeakPolarHBondContact O-CB 3.35Å; F130-L133 PolarHBondContact O-N 3.46Å; F130-Q134 HydrophobicContact CD1-CG 4.29Å; F130-Q134 HydrophobicContact CE1-CG 4.09Å; F130-Q134 WeakPolarHBondContact O-CG 3.5Å; F130-Q134 PolarHBondContact O-N 2.76Å |
| 131 | A | 85.9 | Confident | 85.2 | Confident | 52 Ų | 52 | 69 Ų | 69 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A127 S128 L133 Q134 C135 | A127-A131 WeakPolarHBondContact O-CB 3.3Å; A127-A131 PolarHBondContact O-N 3.45Å; S128-A131 PolarHBondContact O-N 3.13Å; A131-L133 VanDerWaalsContact C-N 3.35Å; A131-Q134 PolarHBondContact O-N 3.11Å; A131-C135 WeakPolarHBondContact O-CB 3.29Å; A131-C135 PolarHBondContact O-N 3.49Å |
| 132 | Q | 84.4 | Confident | 84.3 | Confident | 84 Ų | 84 | 69 Ų | 69 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.8 | -71.8 | 178.1 | 61.3 | 0 | 0 | 112 | S128 K129 F130 C135 L136 | S128-Q132 WeakPolarHBondContact O-CG 3.33Å; S128-Q132 PolarHBondContact O-N 2.91Å; S128-Q132 PolarHBondContact OG-NE2 3.39Å; K129-Q132 PolarHBondContact O-N 3.43Å; F130-Q132 VanDerWaalsContact C-N 3.31Å; F130-Q132 PolarHBondContact O-N 3.26Å; Q132-C135 WeakPolarHBondContact O-CB 3.37Å; Q132-C135 PolarHBondContact O-N 3.43Å; Q132-L136 WeakPolarHBondContact O-CB 3.26Å; Q132-L136 PolarHBondContact O-N 3.23Å |
| 133 | L | 84.8 | Confident | 83 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.9 | -173 | 67.8 | 0 | 0 | 0 | 112.1 | K129 F130 A131 C135 L136 W137 W186 V187 T190 | K129-L133 PolarHBondContact O-N 3.36Å; F130-L133 WeakPolarHBondContact O-CB 3.35Å; F130-L133 PolarHBondContact O-N 3.46Å; A131-L133 VanDerWaalsContact C-N 3.35Å; L133-C135 VanDerWaalsContact C-N 3.33Å; L133-C135 PolarHBondContact O-N 2.66Å; L133-L136 PolarHBondContact O-N 2.93Å; L133-W137 HydrophobicContact CD1-CZ2 4.02Å; L133-W137 HydrophobicContact CD2-CH2 3.56Å; L133-W137 HydrophobicContact CD2-CZ2 3.47Å; L133-W137 VanDerWaalsContact CD2-CZ2 3.47Å; L133-W137 HydrophobicContact CD2-CZ3 4.31Å; L133-W137 HydrophobicContact CG-CD2 4.2Å; L133-W137 HydrophobicContact CG-CE3 4.49Å; L133-W137 HydrophobicContact CG-CH2 3.91Å; L133-W137 HydrophobicContact CG-CZ2 3.57Å; L133-W137 HydrophobicContact CG-CZ3 4.35Å; L133-W137 PolarHBondContact O-N 2.69Å; L133-W186 HydrophobicContact CD2-CD2 3.56Å; L133-W186 HydrophobicContact CD2-CE3 3.87Å; L133-W186 HydrophobicContact CD2-CG 4Å; L133-W186 HydrophobicContact CD2-CH2 4.28Å; L133-W186 HydrophobicContact CD2-CZ2 4.01Å; L133-W186 HydrophobicContact CD2-CZ3 4.21Å; L133-V187 HydrophobicContact CB-CG2 4.36Å; L133-V187 HydrophobicContact CD1-CG2 4.27Å; L133-T190 HydrophobicContact CD1-CG2 4.06Å; L133-T190 WeakPolarHBondContact CD1-OG1 3.39Å |
| 134 | Q | 84.5 | Confident | 81.7 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 174.7 | -72.7 | -176 | -25.6 | 0 | 0 | 112.2 | F130 A131 W137 K138 | F130-Q134 HydrophobicContact CD1-CG 4.29Å; F130-Q134 HydrophobicContact CE1-CG 4.09Å; F130-Q134 WeakPolarHBondContact O-CG 3.5Å; F130-Q134 PolarHBondContact O-N 2.76Å; A131-Q134 PolarHBondContact O-N 3.11Å; Q134-W137 PolarHBondContact O-N 3.22Å; Q134-K138 WeakPolarHBondContact O-CG 3.22Å; Q134-K138 PolarHBondContact O-N 3.44Å; Q134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | C | 82.4 | Confident | 80.9 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 47% | 0.473 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | A131 Q132 L133 W137 K138 T139 | A131-C135 WeakPolarHBondContact O-CB 3.29Å; A131-C135 PolarHBondContact O-N 3.49Å; Q132-C135 WeakPolarHBondContact O-CB 3.37Å; Q132-C135 PolarHBondContact O-N 3.43Å; L133-C135 VanDerWaalsContact C-N 3.33Å; L133-C135 PolarHBondContact O-N 2.66Å; C135-W137 VanDerWaalsContact C-N 3.33Å; C135-W137 PolarHBondContact O-N 2.9Å; C135-K138 PolarHBondContact O-N 3.34Å; C135-K138 VanDerWaalsContact O-N 3.09Å; C135-T139 PolarHBondContact O-N 3.49Å; C135-T139 PolarHBondContact O-OG1 3.47Å; C135-T139 VanDerWaalsContact O-OG1 3.13Å |
| 136 | L | 83.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 179.2 | -172.8 | 61.6 | 0 | 0 | 0 | 112.2 | Q132 L133 R140 D141 T190 V191 Y194 | Q132-L136 WeakPolarHBondContact O-CB 3.26Å; Q132-L136 PolarHBondContact O-N 3.23Å; L133-L136 PolarHBondContact O-N 2.93Å; L136-R140 WeakPolarHBondContact O-CA 3.49Å; L136-R140 PolarHBondContact O-N 2.87Å; L136-D141 WeakPolarHBondContact CD1-O 3.5Å; L136-T190 HydrophobicContact CD2-CG2 3.45Å; L136-T190 VanDerWaalsContact CD2-CG2 3.45Å; L136-T190 HydrophobicContact CG-CG2 3.93Å; L136-V191 HydrophobicContact CD2-CB 4.5Å; L136-V191 HydrophobicContact CD2-CG2 3.59Å; L136-Y194 HydrophobicContact CD1-CD2 3.95Å; L136-Y194 HydrophobicContact CD2-CD2 4.47Å; L136-Y194 HydrophobicContact CG-CD2 3.77Å; L136-Y194 HydrophobicContact CG-CE2 3.92Å; L136-Y194 WeakPolarHBondContact O-CE2 3.42Å |
| 137 | W | 82.8 | Confident | 80.1 | Confident | 93 Ų | 93 | 70 Ų | 70 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 175.7 | -69.9 | -19.2 | 0 | 0 | 0 | 113.7 | L133 Q134 C135 W186 Y194 | L133-W137 HydrophobicContact CD1-CZ2 4.02Å; L133-W137 HydrophobicContact CD2-CH2 3.56Å; L133-W137 HydrophobicContact CD2-CZ2 3.47Å; L133-W137 VanDerWaalsContact CD2-CZ2 3.47Å; L133-W137 HydrophobicContact CD2-CZ3 4.31Å; L133-W137 HydrophobicContact CG-CD2 4.2Å; L133-W137 HydrophobicContact CG-CE3 4.49Å; L133-W137 HydrophobicContact CG-CH2 3.91Å; L133-W137 HydrophobicContact CG-CZ2 3.57Å; L133-W137 HydrophobicContact CG-CZ3 4.35Å; L133-W137 PolarHBondContact O-N 2.69Å; Q134-W137 PolarHBondContact O-N 3.22Å; C135-W137 VanDerWaalsContact C-N 3.33Å; C135-W137 PolarHBondContact O-N 2.9Å; W137-W186 HydrophobicContact CH2-CH2 4.12Å; W137-W186 AromaticContact CH2-CZ2 3.61Å; W137-W186 HydrophobicContact CH2-CZ2 3.61Å; W137-W186 AromaticContact CZ2-CE2 3.85Å; W137-W186 AromaticContact CZ2-CZ2 3.63Å; W137-W186 HydrophobicContact CZ2-CZ2 3.63Å; W137-W186 AromaticContact CZ2-NE1 3.84Å; W137-Y194 AromaticContact CD1-CE2 3.99Å; W137-Y194 AromaticContact CD1-CZ 3.94Å |
| 138 | K | 82.7 | Confident | 79.7 | Confident | 177 Ų | 177 | 73.7 Ų | 73.7 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73.3 | -45.4 | 178 | -75.3 | -179.6 | 178.8 | -177.9 | 0 | 111.9 | Q134 C135 | Q134-K138 WeakPolarHBondContact O-CG 3.22Å; Q134-K138 PolarHBondContact O-N 3.44Å; Q134-K138 VanDerWaalsContact O-N 3.11Å; C135-K138 PolarHBondContact O-N 3.34Å; C135-K138 VanDerWaalsContact O-N 3.09Å |
| 139 | T | 80.7 | Confident | 79.5 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78.8 | -29 | -177.4 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | C135 D141 | C135-T139 PolarHBondContact O-N 3.49Å; C135-T139 PolarHBondContact O-OG1 3.47Å; C135-T139 VanDerWaalsContact O-OG1 3.13Å; T139-D141 PolarHBondContact O-N 2.89Å; T139-D141 PolarHBondContact OG1-N 3.18Å |
| 140 | R | 77.6 | Confident | 79.4 | Confident | 190 Ų | 190 | 74.6 Ų | 74.6 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | trans | 52.5 | 13.5 | -168.2 | -64.7 | -173.2 | 176.1 | 173.3 | -0.3 | 114.1 | L136 | L136-R140 WeakPolarHBondContact O-CA 3.49Å; L136-R140 PolarHBondContact O-N 2.87Å | ||
| 141 | D | 72.9 | Confident | 79.3 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | trans | -107.7 | 125.7 | 178.2 | -177.6 | 13 | 0 | 0 | 0 | 109.2 | L136 T139 G143 | L136-D141 WeakPolarHBondContact CD1-O 3.5Å; T139-D141 PolarHBondContact O-N 2.89Å; T139-D141 PolarHBondContact OG1-N 3.18Å; D141-G143 PolarHBondContact OD1-N 3.15Å | ||
| 142 | S | 73.1 | Confident | 79.3 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | trans | -104.7 | -0.4 | -179.4 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | T144 V145 R195 | S142-T144 PolarHBondContact O-N 3.06Å; S142-V145 PolarHBondContact O-N 3.41Å; S142-V145 VanDerWaalsContact O-O 3.13Å; S142-R195 PolarHBondContact OG-N 3.43Å | ||
| 143 | G | 62.4 | Low | 79.4 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D141 | D141-G143 PolarHBondContact OD1-N 3.15Š|
| 144 | T | 62.5 | Low | 79.6 | Confident | 128 Ų | 128 | 72.7 Ų | 72.7 | 79% | 0.785 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -11 | 178.1 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | S142 | S142-T144 PolarHBondContact O-N 3.06Š|
| 145 | V | 73.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -117.1 | 109.1 | -171.5 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | S142 A147 V191 | S142-V145 PolarHBondContact O-N 3.41Å; S142-V145 VanDerWaalsContact O-O 3.13Å; V145-A147 PolarHBondContact O-N 2.98Å; V145-V191 HydrophobicContact CB-CG2 4.1Å; V145-V191 HydrophobicContact CG1-CG2 3.71Å; V145-V191 WeakPolarHBondContact O-CG1 3.35Å |
| 146 | S | 79.5 | Confident | 80.1 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | trans | -74.3 | 113.6 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 113 | L148 T149 W150 | S146-L148 PolarHBondContact O-N 3.44Å; S146-L148 PolarHBondContact OG-N 2.79Å; S146-T149 WeakPolarHBondContact CB-OG1 3.36Å; S146-T149 WeakPolarHBondContact O-CB 3.19Å; S146-T149 PolarHBondContact O-N 3.24Å; S146-T149 VanDerWaalsContact O-N 3.1Å; S146-T149 PolarHBondContact OG-N 3.14Å; S146-T149 PolarHBondContact OG-OG1 3.46Å; S146-W150 VanDerWaalsContact O-CD1 3.25Å; S146-W150 PolarHBondContact O-N 2.98Å | ||
| 147 | A | 80.9 | Confident | 80.5 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.5 | -32.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V145 S151 V191 L192 | V145-A147 PolarHBondContact O-N 2.98Å; A147-S151 WeakPolarHBondContact O-CB 3.39Å; A147-S151 PolarHBondContact O-N 2.95Å; A147-S151 PolarHBondContact O-OG 2.76Å; A147-V191 HydrophobicContact CB-CG1 3.74Å; A147-L192 HydrophobicContact CB-CD2 3.97Å; A147-L192 HydrophobicContact CB-CG 4.4Å |
| 148 | L | 80.3 | Confident | 80.9 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 177.3 | -69.8 | 173.5 | 0 | 0 | 0 | 111 | S146 W150 S151 L152 | S146-L148 PolarHBondContact O-N 3.44Å; S146-L148 PolarHBondContact OG-N 2.79Å; L148-W150 PolarHBondContact O-N 2.63Å; L148-S151 PolarHBondContact O-N 3.14Å; L148-L152 VanDerWaalsContact O-CD1 3.29Å; L148-L152 WeakPolarHBondContact O-CD1 3.44Å; L148-L152 PolarHBondContact O-N 2.89Å |
| 149 | T | 81.7 | Confident | 81.3 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | S146 S153 | S146-T149 WeakPolarHBondContact CB-OG1 3.36Å; S146-T149 WeakPolarHBondContact O-CB 3.19Å; S146-T149 PolarHBondContact O-N 3.24Å; S146-T149 VanDerWaalsContact O-N 3.1Å; S146-T149 PolarHBondContact OG-N 3.14Å; S146-T149 PolarHBondContact OG-OG1 3.46Å; T149-S153 WeakPolarHBondContact O-CB 3.23Å; T149-S153 PolarHBondContact O-N 3.46Å; T149-S153 PolarHBondContact O-OG 3.24Å |
| 150 | W | 84.9 | Confident | 81.8 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.6 | -33.6 | 176.5 | -69.7 | 97.6 | 0 | 0 | 0 | 113.2 | K129 S146 L148 S153 S154 N184 V187 T188 | K129-W150 HydrophobicContact CB-CH2 4.44Å; K129-W150 HydrophobicContact CD-CZ3 4Å; K129-W150 HydrophobicContact CG-CH2 3.93Å; K129-W150 HydrophobicContact CG-CZ3 3.87Å; S146-W150 VanDerWaalsContact O-CD1 3.25Å; S146-W150 PolarHBondContact O-N 2.98Å; L148-W150 PolarHBondContact O-N 2.63Å; W150-S153 PolarHBondContact O-N 3.45Å; W150-S154 WeakPolarHBondContact O-CB 3.48Å; W150-S154 PolarHBondContact O-N 3.37Å; W150-S154 PolarHBondContact O-OG 3.39Å; W150-N184 HydrophobicContact CE3-CB 4.25Å; W150-N184 VanDerWaalsContact CZ3-OD1 3.28Å; W150-N184 WeakPolarHBondContact CZ3-OD1 3.35Å; W150-V187 HydrophobicContact CD2-CB 3.92Å; W150-V187 HydrophobicContact CD2-CG1 3.51Å; W150-V187 HydrophobicContact CE3-CB 3.78Å; W150-V187 HydrophobicContact CE3-CG1 3.88Å; W150-V187 HydrophobicContact CE3-CG2 4.26Å; W150-V187 HydrophobicContact CG-CB 4.48Å; W150-V187 HydrophobicContact CG-CG1 3.93Å; W150-V187 HydrophobicContact CH2-CB 4.22Å; W150-V187 HydrophobicContact CH2-CG1 3.99Å; W150-V187 HydrophobicContact CH2-CG2 3.98Å; W150-V187 HydrophobicContact CZ2-CB 4.36Å; W150-V187 HydrophobicContact CZ2-CG1 3.64Å; W150-V187 HydrophobicContact CZ2-CG2 4.44Å; W150-V187 HydrophobicContact CZ3-CB 3.94Å; W150-V187 HydrophobicContact CZ3-CG1 4.1Å; W150-V187 HydrophobicContact CZ3-CG2 3.89Å; W150-T188 WeakPolarHBondContact CB-OG1 3.05Å |
| 151 | S | 85.2 | Confident | 82.5 | Confident | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | A147 L148 S153 S154 Y155 T188 | A147-S151 WeakPolarHBondContact O-CB 3.39Å; A147-S151 PolarHBondContact O-N 2.95Å; A147-S151 PolarHBondContact O-OG 2.76Å; L148-S151 PolarHBondContact O-N 3.14Å; S151-S153 VanDerWaalsContact C-N 3.31Å; S151-S153 PolarHBondContact O-N 3.27Å; S151-S154 WeakPolarHBondContact O-CB 3.49Å; S151-S154 PolarHBondContact O-N 3.11Å; S151-S154 VanDerWaalsContact O-N 3.15Å; S151-Y155 PolarHBondContact O-N 2.91Å; S151-T188 WeakPolarHBondContact OG-CG2 3.34Å |
| 152 | L | 85.3 | Confident | 83.3 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 174.4 | -95 | 71 | 0 | 0 | 0 | 111.7 | V16 L148 S154 Y155 T156 | V16-L152 HydrophobicContact CG1-CD2 3.99Å; L148-L152 VanDerWaalsContact O-CD1 3.29Å; L148-L152 WeakPolarHBondContact O-CD1 3.44Å; L148-L152 PolarHBondContact O-N 2.89Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.47Å; L152-Y155 WeakPolarHBondContact O-CB 3.29Å; L152-Y155 PolarHBondContact O-N 3.23Å; L152-T156 PolarHBondContact O-N 2.85Å; L152-T156 PolarHBondContact O-OG1 3.36Å |
| 153 | S | 86.3 | Confident | 84.1 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | T149 W150 S151 C157 N184 | T149-S153 WeakPolarHBondContact O-CB 3.23Å; T149-S153 PolarHBondContact O-N 3.46Å; T149-S153 PolarHBondContact O-OG 3.24Å; W150-S153 PolarHBondContact O-N 3.45Å; S151-S153 VanDerWaalsContact C-N 3.31Å; S151-S153 PolarHBondContact O-N 3.27Å; S153-C157 PolarHBondContact O-N 2.72Å; S153-C157 PolarHBondContact O-SG 2.98Å; S153-N184 PolarHBondContact O-ND2 2.94Å |
| 154 | S | 88.8 | Confident | 85.4 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 174 | -55.3 | 0 | 0 | 0 | 0 | 111 | W150 S151 L152 T156 C157 A158 L181 N184 | W150-S154 WeakPolarHBondContact O-CB 3.48Å; W150-S154 PolarHBondContact O-N 3.37Å; W150-S154 PolarHBondContact O-OG 3.39Å; S151-S154 WeakPolarHBondContact O-CB 3.49Å; S151-S154 PolarHBondContact O-N 3.11Å; S151-S154 VanDerWaalsContact O-N 3.15Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.47Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.46Å; S154-C157 PolarHBondContact O-N 3.42Å; S154-A158 PolarHBondContact O-N 3.39Å; S154-L181 WeakPolarHBondContact O-CD1 3.33Å; S154-N184 VanDerWaalsContact OG-CB 3.22Å; S154-N184 WeakPolarHBondContact OG-CB 3.45Å |
| 155 | Y | 89.6 | Confident | 86.7 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 175.2 | 173.3 | -97.8 | 0 | 0 | 0 | 111.8 | S12 S151 L152 C157 A158 T159 | S12-Y155 PolarHBondContact OG-OH 3.39Å; S151-Y155 PolarHBondContact O-N 2.91Å; L152-Y155 WeakPolarHBondContact O-CB 3.29Å; L152-Y155 PolarHBondContact O-N 3.23Å; Y155-C157 VanDerWaalsContact C-N 3.33Å; Y155-C157 PolarHBondContact O-N 3.5Å; Y155-A158 WeakPolarHBondContact O-CB 3.28Å; Y155-A158 PolarHBondContact O-N 3.01Å; Y155-A158 VanDerWaalsContact O-N 3.1Å; Y155-T159 HydrophobicContact CD1-CG2 4.29Å; Y155-T159 HydrophobicContact CD2-CG2 4.43Å; Y155-T159 HydrophobicContact CE1-CG2 3.77Å; Y155-T159 HydrophobicContact CE2-CG2 3.94Å; Y155-T159 PolarHBondContact O-N 3.46Å; Y155-T159 PolarHBondContact O-OG1 3.17Å |
| 156 | T | 88.2 | Confident | 87.4 | Confident | 23 Ų | 23 | 44 Ų | 44 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | T13 L152 S154 A158 T159 R160 | T13-T156 HydrophobicContact CG2-CG2 3.82Å; L152-T156 PolarHBondContact O-N 2.85Å; L152-T156 PolarHBondContact O-OG1 3.36Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.46Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-T159 PolarHBondContact O-OG1 3.2Å; T156-R160 VanDerWaalsContact O-CB 3.31Å; T156-R160 WeakPolarHBondContact O-CB 3.26Å; T156-R160 WeakPolarHBondContact O-CG 3.39Å; T156-R160 PolarHBondContact O-N 3.37Å |
| 157 | C | 90.8 | Very high | 87.8 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 8% | 0.081 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 175 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | S153 S154 Y155 R160 I161 F177 L181 N184 | S153-C157 PolarHBondContact O-N 2.72Å; S153-C157 PolarHBondContact O-SG 2.98Å; S154-C157 PolarHBondContact O-N 3.42Å; Y155-C157 VanDerWaalsContact C-N 3.33Å; Y155-C157 PolarHBondContact O-N 3.5Å; C157-R160 PolarHBondContact O-N 3.42Å; C157-I161 VanDerWaalsContact O-CG1 3.31Å; C157-I161 WeakPolarHBondContact O-CG1 3.48Å; C157-I161 PolarHBondContact O-N 3.33Å; C157-F177 HydrophobicContact CB-CD1 4.46Å; C157-L181 HydrophobicContact CB-CB 3.83Å; C157-L181 HydrophobicContact CB-CD1 4.13Å; C157-N184 PolarHBondContact SG-ND2 3.41Å |
| 158 | A | 91.9 | Very high | 88 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S154 Y155 T156 R160 I161 I162 L181 | S154-A158 PolarHBondContact O-N 3.39Å; Y155-A158 WeakPolarHBondContact O-CB 3.28Å; Y155-A158 PolarHBondContact O-N 3.01Å; Y155-A158 VanDerWaalsContact O-N 3.1Å; T156-A158 VanDerWaalsContact C-N 3.34Å; A158-R160 PolarHBondContact O-N 3.27Å; A158-I161 PolarHBondContact O-N 3.06Å; A158-I162 WeakPolarHBondContact O-CG1 3.35Å; A158-I162 PolarHBondContact O-N 3.07Å; A158-I162 VanDerWaalsContact O-N 3.14Å; A158-L181 HydrophobicContact CB-CD1 4.43Å; A158-L181 HydrophobicContact CB-CD2 4.47Å |
| 159 | T | 90.5 | Very high | 88.4 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 174.6 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | C9 T13 Y155 T156 I162 T163 | C9-T159 HydrophobicContact CB-CG2 4.38Å; T13-T159 PolarHBondContact OG1-OG1 2.89Å; Y155-T159 HydrophobicContact CD1-CG2 4.29Å; Y155-T159 HydrophobicContact CD2-CG2 4.43Å; Y155-T159 HydrophobicContact CE1-CG2 3.77Å; Y155-T159 HydrophobicContact CE2-CG2 3.94Å; Y155-T159 PolarHBondContact O-N 3.46Å; Y155-T159 PolarHBondContact O-OG1 3.17Å; T156-T159 PolarHBondContact O-OG1 3.2Å; T159-I162 PolarHBondContact O-N 3.03Å; T159-T163 WeakPolarHBondContact O-CB 3.43Å; T159-T163 WeakPolarHBondContact O-CG2 3.47Å; T159-T163 PolarHBondContact O-N 3.49Å; T159-T163 PolarHBondContact O-OG1 2.94Å |
| 160 | R | 91.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -35.1 | 177.2 | -74 | -75.8 | 163.1 | -129.4 | 7.7 | 113.7 | N10 T65 E68 T156 C157 A158 T163 T164 F177 | N10-R160 PolarHBondContact OD1-NH1 3.29Å; T65-R160 PolarHBondContact O-NE 3.29Å; T65-R160 PolarHBondContact O-NH1 3.37Å; T65-R160 PolarHBondContact O-NH2 2.87Å; E68-R160 IonicContact OE1-CZ 2.84Å; E68-R160 IonicContact OE1-NE 2.69Å; E68-R160 PolarHBondContact OE1-NE 3.29Å; E68-R160 IonicContact OE1-NH2 3.06Å; E68-R160 PolarHBondContact OE1-NH2 3.21Å; E68-R160 IonicContact OE2-CZ 2.73Å; E68-R160 IonicContact OE2-NH2 3.64Å; E68-R160 PolarHBondContact OE2-NH2 3.21Å; T156-R160 VanDerWaalsContact O-CB 3.31Å; T156-R160 WeakPolarHBondContact O-CB 3.26Å; T156-R160 WeakPolarHBondContact O-CG 3.39Å; T156-R160 PolarHBondContact O-N 3.37Å; C157-R160 PolarHBondContact O-N 3.42Å; A158-R160 PolarHBondContact O-N 3.27Å; R160-T163 WeakPolarHBondContact CA-OG1 3.37Å; R160-T163 PolarHBondContact NH1-OG1 3.03Å; R160-T163 PolarHBondContact O-OG1 2.76Å; R160-T164 WeakPolarHBondContact O-CB 3.38Å; R160-T164 PolarHBondContact O-N 3.06Å; R160-T164 PolarHBondContact O-OG1 2.93Å; R160-F177 HydrophobicContact CB-CD1 3.7Å; R160-F177 HydrophobicContact CB-CD2 3.74Å; R160-F177 HydrophobicContact CB-CE1 3.54Å; R160-F177 HydrophobicContact CB-CE2 3.57Å; R160-F177 HydrophobicContact CB-CG 3.81Å; R160-F177 HydrophobicContact CB-CZ 3.48Å; R160-F177 VanDerWaalsContact CB-CZ 3.48Å; R160-F177 HydrophobicContact CG-CD1 4.42Å; R160-F177 HydrophobicContact CG-CE1 3.8Å; R160-F177 HydrophobicContact CG-CE2 4.18Å; R160-F177 HydrophobicContact CG-CZ 3.67Å |
| 161 | I | 92.6 | Very high | 89 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -50.6 | 171 | -72.3 | 163.5 | 0 | 0 | 0 | 110.3 | C157 A158 T164 L165 L174 F177 V178 L181 | C157-I161 VanDerWaalsContact O-CG1 3.31Å; C157-I161 WeakPolarHBondContact O-CG1 3.48Å; C157-I161 PolarHBondContact O-N 3.33Å; A158-I161 PolarHBondContact O-N 3.06Å; I161-T164 PolarHBondContact O-N 3.23Å; I161-L165 HydrophobicContact CG2-CD1 3.98Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 3.4Å; I161-L174 HydrophobicContact CB-CD1 4.4Å; I161-L174 HydrophobicContact CG1-CD1 4.38Å; I161-L174 HydrophobicContact CG2-CD1 3.85Å; I161-F177 HydrophobicContact CD1-CB 4.31Å; I161-F177 HydrophobicContact CG1-CB 3.62Å; I161-V178 HydrophobicContact CD1-CG2 3.86Å; I161-V178 HydrophobicContact CG1-CG2 4.17Å; I161-L181 HydrophobicContact CD1-CB 4.24Å; I161-L181 HydrophobicContact CD1-CD2 3.63Å |
| 162 | I | 90.4 | Very high | 89.3 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -51.4 | -179.5 | -64.8 | 168.2 | 0 | 0 | 0 | 110.1 | L5 A158 T159 T164 L165 M166 | L5-I162 HydrophobicContact CD2-CG2 4.32Å; A158-I162 WeakPolarHBondContact O-CG1 3.35Å; A158-I162 PolarHBondContact O-N 3.07Å; A158-I162 VanDerWaalsContact O-N 3.14Å; T159-I162 PolarHBondContact O-N 3.03Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 3.38Å; I162-L165 PolarHBondContact O-N 3.25Å; I162-M166 HydrophobicContact CG2-CG 4.47Å; I162-M166 HydrophobicContact CG2-SD 3.76Å; I162-M166 VanDerWaalsContact O-CG 3.26Å; I162-M166 WeakPolarHBondContact O-CG 3.32Å; I162-M166 PolarHBondContact O-N 3.29Å |
| 163 | T | 89.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -37.4 | -179.3 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | C9 T159 R160 M166 T167 | C9-T163 HydrophobicContact CB-CG2 3.59Å; T159-T163 WeakPolarHBondContact O-CB 3.43Å; T159-T163 WeakPolarHBondContact O-CG2 3.47Å; T159-T163 PolarHBondContact O-N 3.49Å; T159-T163 PolarHBondContact O-OG1 2.94Å; R160-T163 WeakPolarHBondContact CA-OG1 3.37Å; R160-T163 PolarHBondContact NH1-OG1 3.03Å; R160-T163 PolarHBondContact O-OG1 2.76Å; T163-M166 PolarHBondContact O-N 2.91Å; T163-T167 WeakPolarHBondContact O-CB 3.33Å; T163-T167 WeakPolarHBondContact O-CG2 3.42Å; T163-T167 PolarHBondContact O-N 2.87Å; T163-T167 PolarHBondContact O-OG1 2.66Å |
| 164 | T | 90.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | R160 I161 I162 M166 T167 T168 N169 I173 L174 | R160-T164 WeakPolarHBondContact O-CB 3.38Å; R160-T164 PolarHBondContact O-N 3.06Å; R160-T164 PolarHBondContact O-OG1 2.93Å; I161-T164 PolarHBondContact O-N 3.23Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 3.38Å; T164-M166 PolarHBondContact O-N 3.02Å; T164-T167 PolarHBondContact O-N 3.1Å; T164-T168 WeakPolarHBondContact CG2-OG1 3.19Å; T164-T168 PolarHBondContact O-N 3.24Å; T164-T168 PolarHBondContact O-OG1 2.9Å; T164-N169 PolarHBondContact O-N 2.87Å; T164-I173 HydrophobicContact CG2-CB 4.1Å; T164-I173 HydrophobicContact CG2-CG2 3.83Å; T164-L174 HydrophobicContact CG2-CB 4.26Å |
| 165 | L | 90.3 | Very high | 90 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.4 | -36 | 177.6 | -72.4 | 170 | 0 | 0 | 0 | 112.5 | I161 I162 L174 | I161-L165 HydrophobicContact CG2-CD1 3.98Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 3.4Å; I162-L165 PolarHBondContact O-N 3.25Å; L165-L174 HydrophobicContact CD1-CD1 4.44Å; L165-L174 HydrophobicContact CD2-CD1 4.07Å; L165-L174 HydrophobicContact CD2-CD2 3.79Å; L165-L174 HydrophobicContact CG-CD1 3.97Å |
| 166 | M | 87.6 | Confident | 90.1 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -83 | -17.9 | -178.2 | -64.7 | -179.2 | 94.1 | 0 | 0 | 114.5 | E2 L5 L6 I162 T163 T164 | E2-M166 HydrophobicContact CB-CE 3.54Å; E2-M166 HydrophobicContact CG-CE 3.8Å; L5-M166 HydrophobicContact CD2-SD 4.4Å; L6-M166 HydrophobicContact CD1-CB 3.97Å; I162-M166 HydrophobicContact CG2-CG 4.47Å; I162-M166 HydrophobicContact CG2-SD 3.76Å; I162-M166 VanDerWaalsContact O-CG 3.26Å; I162-M166 WeakPolarHBondContact O-CG 3.32Å; I162-M166 PolarHBondContact O-N 3.29Å; T163-M166 PolarHBondContact O-N 2.91Å; T164-M166 PolarHBondContact O-N 3.02Å |
| 167 | T | 87.3 | Confident | 90.3 | Very high | 48 Ų | 48 | 39 Ų | 39 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -120.5 | -47.8 | -170.6 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | L6 T65 T163 T164 | L6-T167 HydrophobicContact CD1-CG2 3.57Å; L6-T167 HydrophobicContact CG-CG2 4.5Å; T65-T167 HydrophobicContact CG2-CG2 4.09Å; T65-T167 WeakPolarHBondContact CG2-OG1 3.4Å; T163-T167 WeakPolarHBondContact O-CB 3.33Å; T163-T167 WeakPolarHBondContact O-CG2 3.42Å; T163-T167 PolarHBondContact O-N 2.87Å; T163-T167 PolarHBondContact O-OG1 2.66Å; T164-T167 PolarHBondContact O-N 3.1Å |
| 168 | T | 86.6 | Confident | 90.5 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -32.4 | -168.2 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | Y61 T164 D170 | Y61-T168 HydrophobicContact CD1-CG2 3.18Å; Y61-T168 HydrophobicContact CD2-CG2 4.17Å; Y61-T168 HydrophobicContact CE1-CG2 3.75Å; Y61-T168 HydrophobicContact CG-CG2 3.45Å; Y61-T168 VanDerWaalsContact CG-CG2 3.45Å; T164-T168 WeakPolarHBondContact CG2-OG1 3.19Å; T164-T168 PolarHBondContact O-N 3.24Å; T164-T168 PolarHBondContact O-OG1 2.9Å; T168-D170 PolarHBondContact O-N 2.99Å; T168-D170 VanDerWaalsContact O-N 3.14Å |
| 169 | N | 87.5 | Confident | 90.6 | Very high | 94 Ų | 94 | 43.5 Ų | 43.5 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | trans | 51.2 | 30.2 | -175.2 | -148.6 | 12.8 | 0 | 0 | 0 | 113.1 | T164 | T164-N169 PolarHBondContact O-N 2.87Š| ||
| 170 | D | 90.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | trans | -81.2 | 117.8 | -179.8 | -179 | -15.7 | 0 | 0 | 0 | 110.7 | Y55 Y61 T168 T172 I173 L174 | Y55-D170 VanDerWaalsContact CE1-OD2 3.29Å; Y55-D170 WeakPolarHBondContact CE1-OD2 3.3Å; Y55-D170 PolarHBondContact OH-OD2 3.32Å; Y61-D170 HydrophobicContact CE2-CB 4.47Å; Y61-D170 PolarHBondContact OH-OD2 3.35Å; T168-D170 PolarHBondContact O-N 2.99Å; T168-D170 VanDerWaalsContact O-N 3.14Å; D170-T172 VanDerWaalsContact C-N 3.32Å; D170-T172 PolarHBondContact O-N 3.38Å; D170-T172 WeakPolarHBondContact OD1-CB 3.34Å; D170-T172 PolarHBondContact OD1-N 3.33Å; D170-I173 HydrophobicContact CB-CB 4.29Å; D170-I173 HydrophobicContact CB-CD1 3.96Å; D170-I173 HydrophobicContact CB-CG1 4.33Å; D170-I173 PolarHBondContact O-N 3.29Å; D170-I173 WeakPolarHBondContact OD2-CD1 3.34Å; D170-L174 VanDerWaalsContact O-CB 3.22Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 3.35Å | ||
| 171 | F | 90.1 | Very high | 90.8 | Very high | 150 Ų | 150 | 45.3 Ų | 45.3 | 66% | 0.658 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.2 | -31.4 | 179.4 | -70.9 | -71.6 | 0 | 0 | 0 | 114.1 | T175 | F171-T175 WeakPolarHBondContact O-CB 3.39Å; F171-T175 PolarHBondContact O-N 3.33Å; F171-T175 PolarHBondContact O-OG1 2.6Å |
| 172 | T | 89.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.7 | -47 | 178.6 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | Y55 M118 D170 R176 | Y55-T172 HydrophobicContact CE2-CG2 4.39Å; M118-T172 HydrophobicContact CE-CG2 4.38Å; M118-T172 HydrophobicContact CG-CG2 3.7Å; D170-T172 VanDerWaalsContact C-N 3.32Å; D170-T172 PolarHBondContact O-N 3.38Å; D170-T172 WeakPolarHBondContact OD1-CB 3.34Å; D170-T172 PolarHBondContact OD1-N 3.33Å; T172-R176 PolarHBondContact O-N 2.88Å; T172-R176 VanDerWaalsContact O-N 3.14Å |
| 173 | I | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.2 | -65.5 | 165.6 | 0 | 0 | 0 | 110.4 | F52 Y55 Y61 M118 T164 D170 R176 F177 | F52-I173 HydrophobicContact CE2-CG2 4.22Å; F52-I173 HydrophobicContact CZ-CG2 4.19Å; Y55-I173 HydrophobicContact CD1-CD1 4.08Å; Y55-I173 HydrophobicContact CD1-CG1 4.16Å; Y55-I173 HydrophobicContact CE1-CD1 3.83Å; Y55-I173 HydrophobicContact CE1-CG1 3.82Å; Y61-I173 HydrophobicContact CD2-CD1 3.84Å; Y61-I173 HydrophobicContact CE2-CD1 3.5Å; M118-I173 HydrophobicContact CE-CG1 3.98Å; T164-I173 HydrophobicContact CG2-CB 4.1Å; T164-I173 HydrophobicContact CG2-CG2 3.83Å; D170-I173 HydrophobicContact CB-CB 4.29Å; D170-I173 HydrophobicContact CB-CD1 3.96Å; D170-I173 HydrophobicContact CB-CG1 4.33Å; D170-I173 PolarHBondContact O-N 3.29Å; D170-I173 WeakPolarHBondContact OD2-CD1 3.34Å; I173-R176 WeakPolarHBondContact O-CB 3.46Å; I173-R176 PolarHBondContact O-N 2.88Å; I173-F177 HydrophobicContact CG2-CD2 3.65Å; I173-F177 HydrophobicContact CG2-CE2 3.41Å; I173-F177 VanDerWaalsContact CG2-CE2 3.41Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.31Å; I173-F177 PolarHBondContact O-N 3.21Å; I173-F177 VanDerWaalsContact O-N 3.08Å |
| 174 | L | 92.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -50 | 179.5 | -176.4 | 65.3 | 0 | 0 | 0 | 111.6 | I161 T164 L165 D170 R176 F177 V178 | I161-L174 HydrophobicContact CB-CD1 4.4Å; I161-L174 HydrophobicContact CG1-CD1 4.38Å; I161-L174 HydrophobicContact CG2-CD1 3.85Å; T164-L174 HydrophobicContact CG2-CB 4.26Å; L165-L174 HydrophobicContact CD1-CD1 4.44Å; L165-L174 HydrophobicContact CD2-CD1 4.07Å; L165-L174 HydrophobicContact CD2-CD2 3.79Å; L165-L174 HydrophobicContact CG-CD1 3.97Å; D170-L174 VanDerWaalsContact O-CB 3.22Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 3.35Å; L174-R176 VanDerWaalsContact C-N 3.3Å; L174-R176 PolarHBondContact O-N 2.94Å; L174-F177 PolarHBondContact O-N 3.1Å; L174-F177 VanDerWaalsContact O-N 3.14Å; L174-V178 HydrophobicContact CD1-CG2 4.39Å; L174-V178 HydrophobicContact CG-CG2 4.44Å; L174-V178 WeakPolarHBondContact O-CG2 3.31Å; L174-V178 PolarHBondContact O-N 3.14Å |
| 175 | T | 91.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 179 | -61.1 | 0 | 0 | 0 | 0 | 111 | F171 F177 V178 I179 | F171-T175 WeakPolarHBondContact O-CB 3.39Å; F171-T175 PolarHBondContact O-N 3.33Å; F171-T175 PolarHBondContact O-OG1 2.6Å; T175-F177 PolarHBondContact O-N 3.4Å; T175-V178 PolarHBondContact O-N 3.23Å; T175-I179 HydrophobicContact CG2-CD1 3.67Å; T175-I179 HydrophobicContact CG2-CG1 4.33Å; T175-I179 WeakPolarHBondContact O-CB 3.21Å; T175-I179 VanDerWaalsContact O-CG1 3.26Å; T175-I179 WeakPolarHBondContact O-CG1 3.36Å; T175-I179 PolarHBondContact O-N 3.04Å |
| 176 | R | 92.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -53.7 | 173.7 | 172.4 | -172.1 | 176 | 99.2 | -6.4 | 111.2 | M118 C121 T122 T172 I173 L174 V178 I179 M180 | M118-R176 HydrophobicContact CE-CB 4.43Å; M118-R176 VanDerWaalsContact CE-CD 3.47Å; C121-R176 PolarHBondContact SG-NH1 2.91Å; T122-R176 HydrophobicContact CG2-CB 3.87Å; T122-R176 HydrophobicContact CG2-CG 3.94Å; T122-R176 WeakPolarHBondContact OG1-CG 3.25Å; T122-R176 PolarHBondContact OG1-NH1 3.39Å; T172-R176 PolarHBondContact O-N 2.88Å; T172-R176 VanDerWaalsContact O-N 3.14Å; I173-R176 WeakPolarHBondContact O-CB 3.46Å; I173-R176 PolarHBondContact O-N 2.88Å; L174-R176 VanDerWaalsContact C-N 3.3Å; L174-R176 PolarHBondContact O-N 2.94Å; R176-V178 VanDerWaalsContact C-N 3.35Å; R176-V178 PolarHBondContact O-N 3.49Å; R176-I179 PolarHBondContact O-N 2.95Å; R176-M180 HydrophobicContact CG-CG 4.44Å; R176-M180 WeakPolarHBondContact O-CB 3.39Å; R176-M180 VanDerWaalsContact O-CG 3.23Å; R176-M180 WeakPolarHBondContact O-CG 3.21Å; R176-M180 PolarHBondContact O-N 3.44Å |
| 177 | F | 92.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -33.8 | -176.4 | -73 | -61.4 | 0 | 0 | 0 | 113.1 | F52 C157 R160 I161 I173 L174 T175 M180 L181 | F52-F177 HydrophobicContact CE1-CZ 4.33Å; F52-F177 AromaticContact CE2-CE2 4Å; F52-F177 HydrophobicContact CE2-CE2 4Å; F52-F177 AromaticContact CE2-CZ 3.87Å; F52-F177 HydrophobicContact CE2-CZ 3.87Å; F52-F177 AromaticContact CZ-CE2 3.66Å; F52-F177 HydrophobicContact CZ-CE2 3.66Å; F52-F177 AromaticContact CZ-CZ 3.47Å; F52-F177 HydrophobicContact CZ-CZ 3.47Å; F52-F177 VanDerWaalsContact CZ-CZ 3.47Å; C157-F177 HydrophobicContact CB-CD1 4.46Å; R160-F177 HydrophobicContact CB-CD1 3.7Å; R160-F177 HydrophobicContact CB-CD2 3.74Å; R160-F177 HydrophobicContact CB-CE1 3.54Å; R160-F177 HydrophobicContact CB-CE2 3.57Å; R160-F177 HydrophobicContact CB-CG 3.81Å; R160-F177 HydrophobicContact CB-CZ 3.48Å; R160-F177 VanDerWaalsContact CB-CZ 3.48Å; R160-F177 HydrophobicContact CG-CD1 4.42Å; R160-F177 HydrophobicContact CG-CE1 3.8Å; R160-F177 HydrophobicContact CG-CE2 4.18Å; R160-F177 HydrophobicContact CG-CZ 3.67Å; I161-F177 HydrophobicContact CD1-CB 4.31Å; I161-F177 HydrophobicContact CG1-CB 3.62Å; I173-F177 HydrophobicContact CG2-CD2 3.65Å; I173-F177 HydrophobicContact CG2-CE2 3.41Å; I173-F177 VanDerWaalsContact CG2-CE2 3.41Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.31Å; I173-F177 PolarHBondContact O-N 3.21Å; I173-F177 VanDerWaalsContact O-N 3.08Å; L174-F177 PolarHBondContact O-N 3.1Å; L174-F177 VanDerWaalsContact O-N 3.14Å; T175-F177 PolarHBondContact O-N 3.4Å; F177-M180 PolarHBondContact O-N 2.63Å; F177-L181 VanDerWaalsContact O-CB 3.22Å; F177-L181 WeakPolarHBondContact O-CB 3.17Å; F177-L181 PolarHBondContact O-N 2.88Å |
| 178 | V | 94.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111.1 | I161 L174 T175 R176 M180 L181 A182 | I161-V178 HydrophobicContact CD1-CG2 3.86Å; I161-V178 HydrophobicContact CG1-CG2 4.17Å; L174-V178 HydrophobicContact CD1-CG2 4.39Å; L174-V178 HydrophobicContact CG-CG2 4.44Å; L174-V178 WeakPolarHBondContact O-CG2 3.31Å; L174-V178 PolarHBondContact O-N 3.14Å; T175-V178 PolarHBondContact O-N 3.23Å; R176-V178 VanDerWaalsContact C-N 3.35Å; R176-V178 PolarHBondContact O-N 3.49Å; V178-M180 VanDerWaalsContact C-N 3.34Å; V178-M180 PolarHBondContact O-N 3.28Å; V178-L181 PolarHBondContact O-N 2.76Å; V178-A182 PolarHBondContact O-N 2.91Å |
| 179 | I | 92.9 | Very high | 91.4 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.5 | -68.3 | 168.9 | 0 | 0 | 0 | 110.3 | A126 T175 R176 L181 A182 L183 | A126-I179 HydrophobicContact CB-CG2 4.06Å; T175-I179 HydrophobicContact CG2-CD1 3.67Å; T175-I179 HydrophobicContact CG2-CG1 4.33Å; T175-I179 WeakPolarHBondContact O-CB 3.21Å; T175-I179 VanDerWaalsContact O-CG1 3.26Å; T175-I179 WeakPolarHBondContact O-CG1 3.36Å; T175-I179 PolarHBondContact O-N 3.04Å; R176-I179 PolarHBondContact O-N 2.95Å; I179-L181 PolarHBondContact O-N 3.39Å; I179-A182 PolarHBondContact O-N 3.08Å; I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 WeakPolarHBondContact O-CG 3.22Å; I179-L183 PolarHBondContact O-N 2.85Å; I179-L183 VanDerWaalsContact O-N 3.07Å |
| 180 | M | 92.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 179.3 | -67.1 | -57.3 | 143.7 | 0 | 0 | 112.2 | T122 A126 K129 R176 F177 V178 L183 N184 | T122-M180 HydrophobicContact CG2-CE 4.02Å; T122-M180 VanDerWaalsContact O-CE 3.28Å; T122-M180 WeakPolarHBondContact O-CE 3.22Å; A126-M180 HydrophobicContact CB-CE 4.24Å; K129-M180 HydrophobicContact CD-SD 4.04Å; K129-M180 PolarHBondContact NZ-SD 3.05Å; K129-M180 VanDerWaalsContact NZ-SD 3.4Å; R176-M180 HydrophobicContact CG-CG 4.44Å; R176-M180 WeakPolarHBondContact O-CB 3.39Å; R176-M180 VanDerWaalsContact O-CG 3.23Å; R176-M180 WeakPolarHBondContact O-CG 3.21Å; R176-M180 PolarHBondContact O-N 3.44Å; F177-M180 PolarHBondContact O-N 2.63Å; V178-M180 VanDerWaalsContact C-N 3.34Å; V178-M180 PolarHBondContact O-N 3.28Å; M180-L183 PolarHBondContact O-N 2.91Å; M180-N184 VanDerWaalsContact O-CB 3.26Å; M180-N184 WeakPolarHBondContact O-CB 3.41Å; M180-N184 PolarHBondContact O-N 2.95Å; M180-N184 PolarHBondContact O-ND2 3.17Å |
| 181 | L | 93.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 177 | 179.3 | 62.2 | 0 | 0 | 0 | 110.9 | S154 C157 A158 I161 F177 V178 I179 L183 N184 I185 | S154-L181 WeakPolarHBondContact O-CD1 3.33Å; C157-L181 HydrophobicContact CB-CB 3.83Å; C157-L181 HydrophobicContact CB-CD1 4.13Å; A158-L181 HydrophobicContact CB-CD1 4.43Å; A158-L181 HydrophobicContact CB-CD2 4.47Å; I161-L181 HydrophobicContact CD1-CB 4.24Å; I161-L181 HydrophobicContact CD1-CD2 3.63Å; F177-L181 VanDerWaalsContact O-CB 3.22Å; F177-L181 WeakPolarHBondContact O-CB 3.17Å; F177-L181 PolarHBondContact O-N 2.88Å; V178-L181 PolarHBondContact O-N 2.76Å; I179-L181 PolarHBondContact O-N 3.39Å; L181-L183 VanDerWaalsContact C-N 3.35Å; L181-L183 PolarHBondContact O-N 2.86Å; L181-N184 PolarHBondContact O-N 2.91Å; L181-I185 HydrophobicContact CD1-CD1 3.79Å; L181-I185 HydrophobicContact CD1-CG1 4.13Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 WeakPolarHBondContact O-CB 3.5Å; L181-I185 VanDerWaalsContact O-CG1 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.14Å |
| 182 | A | 94.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V178 I179 I185 W186 | V178-A182 PolarHBondContact O-N 2.91Å; I179-A182 PolarHBondContact O-N 3.08Å; A182-I185 PolarHBondContact O-N 3.48Å; A182-W186 WeakPolarHBondContact O-CB 3.22Å; A182-W186 PolarHBondContact O-N 3.36Å |
| 183 | L | 91.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.4 | -69.1 | 172.5 | 0 | 0 | 0 | 112.2 | A126 K129 I179 M180 L181 I185 W186 V187 | A126-L183 HydrophobicContact CB-CD1 3.67Å; K129-L183 HydrophobicContact CB-CB 4.12Å; K129-L183 HydrophobicContact CB-CD1 4.2Å; K129-L183 HydrophobicContact CD-CB 3.8Å; K129-L183 HydrophobicContact CD-CD1 4.32Å; I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 WeakPolarHBondContact O-CG 3.22Å; I179-L183 PolarHBondContact O-N 2.85Å; I179-L183 VanDerWaalsContact O-N 3.07Å; M180-L183 PolarHBondContact O-N 2.91Å; L181-L183 VanDerWaalsContact C-N 3.35Å; L181-L183 PolarHBondContact O-N 2.86Å; L183-I185 PolarHBondContact O-N 3.36Å; L183-W186 PolarHBondContact O-N 3.41Å; L183-V187 WeakPolarHBondContact O-CG2 3.32Å; L183-V187 PolarHBondContact O-N 2.69Å |
| 184 | N | 91.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.5 | -71.5 | -19.9 | 0 | 0 | 0 | 112.2 | K129 W150 S153 S154 C157 M180 L181 V187 T188 | K129-N184 WeakPolarHBondContact CD-OD1 3.41Å; K129-N184 WeakPolarHBondContact CE-OD1 3.44Å; W150-N184 HydrophobicContact CE3-CB 4.25Å; W150-N184 VanDerWaalsContact CZ3-OD1 3.28Å; W150-N184 WeakPolarHBondContact CZ3-OD1 3.35Å; S153-N184 PolarHBondContact O-ND2 2.94Å; S154-N184 VanDerWaalsContact OG-CB 3.22Å; S154-N184 WeakPolarHBondContact OG-CB 3.45Å; C157-N184 PolarHBondContact SG-ND2 3.41Å; M180-N184 VanDerWaalsContact O-CB 3.26Å; M180-N184 WeakPolarHBondContact O-CB 3.41Å; M180-N184 PolarHBondContact O-N 2.95Å; M180-N184 PolarHBondContact O-ND2 3.17Å; L181-N184 PolarHBondContact O-N 2.91Å; N184-V187 PolarHBondContact O-N 3.4Å; N184-T188 WeakPolarHBondContact O-CB 3.26Å; N184-T188 PolarHBondContact O-N 3.49Å; N184-T188 PolarHBondContact O-OG1 2.87Å |
| 185 | I | 92.1 | Very high | 89.4 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.5 | -70.2 | 171.3 | 0 | 0 | 0 | 109.8 | L181 A182 L183 V187 T188 V189 | L181-I185 HydrophobicContact CD1-CD1 3.79Å; L181-I185 HydrophobicContact CD1-CG1 4.13Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 WeakPolarHBondContact O-CB 3.5Å; L181-I185 VanDerWaalsContact O-CG1 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.14Å; A182-I185 PolarHBondContact O-N 3.48Å; L183-I185 PolarHBondContact O-N 3.36Å; I185-V187 VanDerWaalsContact C-N 3.35Å; I185-V187 PolarHBondContact O-N 2.99Å; I185-T188 WeakPolarHBondContact O-CB 3.47Å; I185-T188 PolarHBondContact O-N 3.42Å; I185-V189 HydrophobicContact CG2-CG2 4.25Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 3.43Å |
| 186 | W | 91.4 | Very high | 88.1 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 45% | 0.451 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | -179.8 | -165.2 | 0.2 | 0 | 0 | 0 | 112.1 | L133 W137 A182 L183 T190 | L133-W186 HydrophobicContact CD2-CD2 3.56Å; L133-W186 HydrophobicContact CD2-CE3 3.87Å; L133-W186 HydrophobicContact CD2-CG 4Å; L133-W186 HydrophobicContact CD2-CH2 4.28Å; L133-W186 HydrophobicContact CD2-CZ2 4.01Å; L133-W186 HydrophobicContact CD2-CZ3 4.21Å; W137-W186 HydrophobicContact CH2-CH2 4.12Å; W137-W186 AromaticContact CH2-CZ2 3.61Å; W137-W186 HydrophobicContact CH2-CZ2 3.61Å; W137-W186 AromaticContact CZ2-CE2 3.85Å; W137-W186 AromaticContact CZ2-CZ2 3.63Å; W137-W186 HydrophobicContact CZ2-CZ2 3.63Å; W137-W186 AromaticContact CZ2-NE1 3.84Å; A182-W186 WeakPolarHBondContact O-CB 3.22Å; A182-W186 PolarHBondContact O-N 3.36Å; L183-W186 PolarHBondContact O-N 3.41Å; W186-T190 WeakPolarHBondContact O-CB 3.35Å; W186-T190 PolarHBondContact O-N 3.32Å; W186-T190 PolarHBondContact O-OG1 2.82Å |
| 187 | V | 87.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | L133 W150 L183 N184 I185 V189 T190 V191 | L133-V187 HydrophobicContact CB-CG2 4.36Å; L133-V187 HydrophobicContact CD1-CG2 4.27Å; W150-V187 HydrophobicContact CD2-CB 3.92Å; W150-V187 HydrophobicContact CD2-CG1 3.51Å; W150-V187 HydrophobicContact CE3-CB 3.78Å; W150-V187 HydrophobicContact CE3-CG1 3.88Å; W150-V187 HydrophobicContact CE3-CG2 4.26Å; W150-V187 HydrophobicContact CG-CB 4.48Å; W150-V187 HydrophobicContact CG-CG1 3.93Å; W150-V187 HydrophobicContact CH2-CB 4.22Å; W150-V187 HydrophobicContact CH2-CG1 3.99Å; W150-V187 HydrophobicContact CH2-CG2 3.98Å; W150-V187 HydrophobicContact CZ2-CB 4.36Å; W150-V187 HydrophobicContact CZ2-CG1 3.64Å; W150-V187 HydrophobicContact CZ2-CG2 4.44Å; W150-V187 HydrophobicContact CZ3-CB 3.94Å; W150-V187 HydrophobicContact CZ3-CG1 4.1Å; W150-V187 HydrophobicContact CZ3-CG2 3.89Å; L183-V187 WeakPolarHBondContact O-CG2 3.32Å; L183-V187 PolarHBondContact O-N 2.69Å; N184-V187 PolarHBondContact O-N 3.4Å; I185-V187 VanDerWaalsContact C-N 3.35Å; I185-V187 PolarHBondContact O-N 2.99Å; V187-V189 PolarHBondContact O-N 3.49Å; V187-T190 PolarHBondContact O-N 2.91Å; V187-T190 VanDerWaalsContact O-N 3.11Å; V187-V191 HydrophobicContact CG1-CG2 4.15Å; V187-V191 WeakPolarHBondContact O-CG2 3.48Å; V187-V191 PolarHBondContact O-N 3.49Å |
| 188 | T | 87.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.8 | -50 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 112 | W150 S151 N184 I185 T190 V191 L192 | W150-T188 WeakPolarHBondContact CB-OG1 3.05Å; S151-T188 WeakPolarHBondContact OG-CG2 3.34Å; N184-T188 WeakPolarHBondContact O-CB 3.26Å; N184-T188 PolarHBondContact O-N 3.49Å; N184-T188 PolarHBondContact O-OG1 2.87Å; I185-T188 WeakPolarHBondContact O-CB 3.47Å; I185-T188 PolarHBondContact O-N 3.42Å; T188-T190 VanDerWaalsContact C-N 3.32Å; T188-T190 PolarHBondContact O-N 3.43Å; T188-V191 PolarHBondContact O-N 2.96Å; T188-L192 HydrophobicContact CG2-CD1 4.14Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.92Å |
| 189 | V | 89.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | I185 V187 L192 R193 | I185-V189 HydrophobicContact CG2-CG2 4.25Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 3.43Å; V187-V189 PolarHBondContact O-N 3.49Å; V189-L192 PolarHBondContact O-N 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.99Å |
| 190 | T | 86.6 | Confident | 82 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 179.7 | -53 | 0 | 0 | 0 | 0 | 111.7 | L133 L136 W186 V187 T188 L192 R193 Y194 | L133-T190 HydrophobicContact CD1-CG2 4.06Å; L133-T190 WeakPolarHBondContact CD1-OG1 3.39Å; L136-T190 HydrophobicContact CD2-CG2 3.45Å; L136-T190 VanDerWaalsContact CD2-CG2 3.45Å; L136-T190 HydrophobicContact CG-CG2 3.93Å; W186-T190 WeakPolarHBondContact O-CB 3.35Å; W186-T190 PolarHBondContact O-N 3.32Å; W186-T190 PolarHBondContact O-OG1 2.82Å; V187-T190 PolarHBondContact O-N 2.91Å; V187-T190 VanDerWaalsContact O-N 3.11Å; T188-T190 VanDerWaalsContact C-N 3.32Å; T188-T190 PolarHBondContact O-N 3.43Å; T190-L192 PolarHBondContact O-N 3.48Å; T190-R193 PolarHBondContact O-N 3.36Å; T190-Y194 HydrophobicContact CG2-CD2 4.03Å; T190-Y194 HydrophobicContact CG2-CE2 3.61Å; T190-Y194 PolarHBondContact O-N 3.24Å |
| 191 | V | 85.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L136 V145 A147 V187 T188 R193 Y194 R195 | L136-V191 HydrophobicContact CD2-CB 4.5Å; L136-V191 HydrophobicContact CD2-CG2 3.59Å; V145-V191 HydrophobicContact CB-CG2 4.1Å; V145-V191 HydrophobicContact CG1-CG2 3.71Å; V145-V191 WeakPolarHBondContact O-CG1 3.35Å; A147-V191 HydrophobicContact CB-CG1 3.74Å; V187-V191 HydrophobicContact CG1-CG2 4.15Å; V187-V191 WeakPolarHBondContact O-CG2 3.48Å; V187-V191 PolarHBondContact O-N 3.49Å; T188-V191 PolarHBondContact O-N 2.96Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.01Å; V191-Y194 PolarHBondContact O-N 2.94Å; V191-R195 WeakPolarHBondContact O-CB 3.44Å; V191-R195 PolarHBondContact O-N 2.92Å |
| 192 | L | 85.1 | Confident | 78 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 41% | 0.414 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 179 | -70.4 | 175.4 | 0 | 0 | 0 | 112.9 | A147 T188 V189 T190 K196 | A147-L192 HydrophobicContact CB-CD2 3.97Å; A147-L192 HydrophobicContact CB-CG 4.4Å; T188-L192 HydrophobicContact CG2-CD1 4.14Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.92Å; V189-L192 PolarHBondContact O-N 3.29Å; T190-L192 PolarHBondContact O-N 3.48Å; L192-K196 WeakPolarHBondContact O-CG 3.26Å; L192-K196 PolarHBondContact O-N 3.26Å |
| 193 | R | 85.2 | Confident | 77.2 | Confident | 176 Ų | 176 | 84.7 Ų | 84.7 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.5 | -48 | 176.3 | -76 | -176.4 | 75 | 168 | 4.3 | 111.6 | V189 T190 V191 K196 T197 | V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.99Å; T190-R193 PolarHBondContact O-N 3.36Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.01Å; R193-K196 PolarHBondContact O-N 3.03Å; R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.91Å |
| 194 | Y | 81.6 | Confident | 76.4 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | -178.6 | -65.5 | -20.3 | 0 | 0 | 0 | 113.2 | L136 W137 T190 V191 K196 T197 A198 | L136-Y194 HydrophobicContact CD1-CD2 3.95Å; L136-Y194 HydrophobicContact CD2-CD2 4.47Å; L136-Y194 HydrophobicContact CG-CD2 3.77Å; L136-Y194 HydrophobicContact CG-CE2 3.92Å; L136-Y194 WeakPolarHBondContact O-CE2 3.42Å; W137-Y194 AromaticContact CD1-CE2 3.99Å; W137-Y194 AromaticContact CD1-CZ 3.94Å; T190-Y194 HydrophobicContact CG2-CD2 4.03Å; T190-Y194 HydrophobicContact CG2-CE2 3.61Å; T190-Y194 PolarHBondContact O-N 3.24Å; V191-Y194 PolarHBondContact O-N 2.94Å; Y194-K196 VanDerWaalsContact C-N 3.33Å; Y194-K196 PolarHBondContact O-N 3.33Å; Y194-T197 PolarHBondContact O-N 3.31Å; Y194-A198 PolarHBondContact O-N 3Å |
| 195 | R | 75.3 | Confident | 75.6 | Confident | 149 Ų | 149 | 92.4 Ų | 92.4 | 56% | 0.562 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 170.3 | -171.5 | 176.8 | 175.9 | -174.1 | -0.4 | 112.6 | S142 V191 T197 A198 I199 | S142-R195 PolarHBondContact OG-N 3.43Å; V191-R195 WeakPolarHBondContact O-CB 3.44Å; V191-R195 PolarHBondContact O-N 2.92Å; R195-T197 VanDerWaalsContact C-N 3.32Å; R195-T197 PolarHBondContact O-N 2.85Å; R195-A198 PolarHBondContact O-N 3.14Å; R195-I199 HydrophobicContact CG-CD1 4.16Å; R195-I199 WeakPolarHBondContact O-CG1 3.38Å; R195-I199 PolarHBondContact O-N 3.01Å |
| 196 | K | 65.6 | Low | 74.6 | Confident | 154 Ų | 154 | 92.9 Ų | 92.9 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.1 | -31.6 | 176.2 | -74.9 | -177.1 | -180 | -175.6 | 0 | 112.9 | L192 R193 Y194 K200 | L192-K196 WeakPolarHBondContact O-CG 3.26Å; L192-K196 PolarHBondContact O-N 3.26Å; R193-K196 PolarHBondContact O-N 3.03Å; Y194-K196 VanDerWaalsContact C-N 3.33Å; Y194-K196 PolarHBondContact O-N 3.33Å; K196-K200 PolarHBondContact O-N 3.05Å |
| 197 | T | 63.3 | Low | 73.6 | Confident | 94 Ų | 94 | 91.3 Ų | 91.3 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.7 | -40.4 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.5 | R193 Y194 R195 K200 A201 | R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.91Å; Y194-T197 PolarHBondContact O-N 3.31Å; R195-T197 VanDerWaalsContact C-N 3.32Å; R195-T197 PolarHBondContact O-N 2.85Å; T197-K200 PolarHBondContact O-N 3.27Å; T197-A201 PolarHBondContact O-N 3.29Å |
| 198 | A | 60.2 | Low | 72.6 | Confident | 58 Ų | 58 | 97.2 Ų | 97.2 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y194 R195 K200 A201 E202 | Y194-A198 PolarHBondContact O-N 3Å; R195-A198 PolarHBondContact O-N 3.14Å; A198-K200 PolarHBondContact O-N 3.35Å; A198-A201 PolarHBondContact O-N 3.5Å; A198-E202 PolarHBondContact O-N 3.08Å |
| 199 | I | 61.2 | Low | 71.5 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 54% | 0.544 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -24.6 | 179.2 | -65 | 167.6 | 0 | 0 | 0 | 112.9 | R195 | R195-I199 HydrophobicContact CG-CD1 4.16Å; R195-I199 WeakPolarHBondContact O-CG1 3.38Å; R195-I199 PolarHBondContact O-N 3.01Å |
| 200 | K | 59.6 | Low | 70.2 | Confident | 187 Ų | 187 | 105.8 Ų | 105.8 | 81% | 0.813 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -12.5 | 176.6 | -83.4 | -171.3 | 175.3 | -169.8 | 0 | 113.9 | K196 T197 A198 | K196-K200 PolarHBondContact O-N 3.05Å; T197-K200 PolarHBondContact O-N 3.27Å; A198-K200 PolarHBondContact O-N 3.35Å |
| 201 | A | 56.3 | Low | 68.8 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 74% | 0.736 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -12.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | T197 A198 | T197-A201 PolarHBondContact O-N 3.29Å; A198-A201 PolarHBondContact O-N 3.5Å |
| 202 | E | 46.8 | Very low | 67.3 | Low | 227 Ų | 227 | 123.9 Ų | 123.9 | 100% | 1.061 | 61% | 0.608 | S | S | * | * | trans | -90.3 | 0 | 165.5 | -72.1 | -179.5 | 152.6 | 0 | 0 | 110.8 | A198 | A198-E202 PolarHBondContact O-N 3.08Š|
Retrieved 202 of 202 residues in 697 ms
(Link to these results)