| 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 | V | 34.1 | Very low | 65.1 | Low | 190 Ų | 190 | 93.8 Ų | 93.8 | 100% | 1.152 | 56% | 0.555 | S | S | * | * | 0 | 90.2 | 0 | -176.4 | 0 | 0 | 0 | 0 | 105.6 | M3 | V1-M3 PolarHBondContact O-N 3.32Š| |||
| 2 | E | 35.8 | Very low | 66.7 | Low | 183 Ų | 183 | 93.3 Ų | 93.3 | 86% | 0.855 | 54% | 0.543 | S | S | * | . | trans | -67 | 119.8 | -177.3 | -73.8 | -179.7 | 155.6 | 0 | 0 | 108.3 | S4 | E2-S4 PolarHBondContact O-N 2.89Å; E2-S4 PolarHBondContact O-OG 2.96Å | ||
| 3 | M | 37.8 | Very low | 68.1 | Low | 187 Ų | 187 | 86.3 Ų | 86.3 | 92% | 0.921 | 50% | 0.504 | S | S | * | . | trans | -63.4 | 105.3 | -179.4 | -66.8 | -171.1 | -64.7 | 0 | 0 | 108.5 | V1 G5 | V1-M3 PolarHBondContact O-N 3.32Å; M3-G5 PolarHBondContact O-N 2.71Å | ||
| 4 | S | 54 | Low | 69.4 | Low | 101 Ų | 101 | 80.1 Ų | 80.1 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | trans | -78.7 | 88.8 | -177.2 | -33.4 | 0 | 0 | 0 | 0 | 108.8 | E2 | E2-S4 PolarHBondContact O-N 2.89Å; E2-S4 PolarHBondContact O-OG 2.96Å | ||
| 5 | G | 65.6 | Low | 70.7 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | trans | -140.2 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M3 S7 | M3-G5 PolarHBondContact O-N 2.71Å; G5-S7 PolarHBondContact O-N 3.44Å | ||
| 6 | L | 78.4 | Confident | 71.7 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 13% | 0.126 | 46% | 0.461 | C | S | . | . | trans | -58.4 | 134.5 | 176.8 | -62 | 171.5 | 0 | 0 | 0 | 110.8 | E10 M11 L51 S56 A57 | L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 4.29Å; L6-M11 HydrophobicContact CB-CB 4.16Å; L6-L51 HydrophobicContact CD1-CD2 3.93Å; L6-S56 VanDerWaalsContact CD2-C 3.49Å; L6-A57 HydrophobicContact CD2-CB 3.75Å | ||
| 7 | S | 82.9 | Confident | 72.8 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | trans | -65.4 | 161.5 | 167.5 | 66.1 | 0 | 0 | 0 | 0 | 110.8 | G5 S9 E10 M11 | G5-S7 PolarHBondContact O-N 3.44Å; S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.17Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.42Å; S7-E10 PolarHBondContact N-OE2 3.02Å; S7-E10 CarbonylContact O-C 3.59Å; S7-E10 PolarHBondContact O-N 2.91Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 WeakPolarHBondContact OG-CB 3.25Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; S7-M11 WeakPolarHBondContact O-CB 3.26Å; S7-M11 PolarHBondContact O-N 3.13Å | ||
| 8 | S | 79.3 | Confident | 73.7 | Confident | 105 Ų | 105 | 73 Ų | 73 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55 | -43.1 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 113 | M11 E12 | S8-M11 PolarHBondContact O-N 3.11Å; S8-E12 PolarHBondContact O-N 2.92Å |
| 9 | S | 80.1 | Confident | 74.3 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | S7 G13 W99 | S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.17Å; S9-G13 PolarHBondContact O-N 2.65Å; S9-W99 WeakPolarHBondContact CB-O 3.15Å |
| 10 | E | 85.1 | Confident | 74.8 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 15% | 0.145 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.8 | -37 | 176.2 | -71.1 | 169.4 | 135.7 | 0 | 0 | 111.4 | L6 S7 G13 C14 A57 W99 | L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 4.29Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.42Å; S7-E10 PolarHBondContact N-OE2 3.02Å; S7-E10 CarbonylContact O-C 3.59Å; S7-E10 PolarHBondContact O-N 2.91Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 WeakPolarHBondContact OG-CB 3.25Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; E10-G13 PolarHBondContact O-N 2.98Å; E10-C14 WeakPolarHBondContact O-CB 3.39Å; E10-C14 PolarHBondContact O-N 3.26Å; E10-C14 PolarHBondContact O-SG 2.85Å; E10-A57 HydrophobicContact CB-CB 4.28Å; E10-A57 HydrophobicContact CG-CB 4.3Å; E10-W99 HydrophobicContact CB-CE3 4.33Å; E10-W99 HydrophobicContact CG-CB 4.31Å; E10-W99 HydrophobicContact CG-CE3 3.9Å |
| 11 | M | 83.1 | Confident | 75.2 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.7 | -165.4 | 176.8 | -145.4 | 0 | 0 | 110.6 | L6 S7 S8 R15 L51 | L6-M11 HydrophobicContact CB-CB 4.16Å; S7-M11 WeakPolarHBondContact O-CB 3.26Å; S7-M11 PolarHBondContact O-N 3.13Å; S8-M11 PolarHBondContact O-N 3.11Å; M11-R15 VanDerWaalsContact O-CB 3.29Å; M11-R15 WeakPolarHBondContact O-CB 3.42Å; M11-R15 PolarHBondContact O-N 2.72Å; M11-L51 HydrophobicContact CE-CB 3.83Å; M11-L51 HydrophobicContact CG-CB 4.32Å; M11-L51 HydrophobicContact CG-CD1 4.29Å; M11-L51 HydrophobicContact CG-CD2 4.38Å |
| 12 | E | 83.8 | Confident | 77.8 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 41% | 0.407 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.1 | -175.4 | 55.7 | -149.6 | 0 | 0 | 111.8 | S8 R15 N16 | S8-E12 PolarHBondContact O-N 2.92Å; E12-R15 PolarHBondContact O-N 3.08Å; E12-N16 PolarHBondContact O-N 2.82Å; E12-N16 PolarHBondContact O-ND2 2.9Å; E12-N16 PolarHBondContact OE1-ND2 2.87Å |
| 13 | G | 85.6 | Confident | 80.2 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S9 E10 N16 L17 Y74 W99 | S9-G13 PolarHBondContact O-N 2.65Å; E10-G13 PolarHBondContact O-N 2.98Å; G13-N16 PolarHBondContact O-N 2.84Å; G13-L17 WeakPolarHBondContact O-CB 3.39Å; G13-L17 PolarHBondContact O-N 2.79Å; G13-Y74 WeakPolarHBondContact CA-OH 3.38Å; G13-W99 VanDerWaalsContact C-CZ2 3.43Å; G13-W99 VanDerWaalsContact CA-CE2 3.49Å |
| 14 | C | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.5 | -73.6 | 0 | 0 | 0 | 0 | 111.4 | E10 N16 L17 L18 L51 L60 | E10-C14 WeakPolarHBondContact O-CB 3.39Å; E10-C14 PolarHBondContact O-N 3.26Å; E10-C14 PolarHBondContact O-SG 2.85Å; C14-N16 VanDerWaalsContact C-N 3.34Å; C14-N16 PolarHBondContact O-N 2.79Å; C14-L17 PolarHBondContact O-N 3.49Å; C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.16Å; C14-L51 HydrophobicContact CB-CD2 3.57Å; C14-L60 HydrophobicContact CB-CD2 4.03Å |
| 15 | R | 87.8 | Confident | 84.1 | Confident | 122 Ų | 122 | 53.8 Ų | 53.8 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 176.4 | -172.5 | -179.3 | -175.9 | -178.1 | 1.1 | 111.7 | M11 E12 L18 G19 V47 L51 | M11-R15 VanDerWaalsContact O-CB 3.29Å; M11-R15 WeakPolarHBondContact O-CB 3.42Å; M11-R15 PolarHBondContact O-N 2.72Å; E12-R15 PolarHBondContact O-N 3.08Å; R15-L18 PolarHBondContact O-N 2.92Å; R15-G19 PolarHBondContact O-N 3.06Å; R15-V47 HydrophobicContact CG-CG1 4.22Å; R15-L51 HydrophobicContact CB-CD1 3.83Å; R15-L51 HydrophobicContact CG-CD1 4.12Å |
| 16 | N | 86.9 | Confident | 85.3 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 179.2 | -72.4 | -40 | 0 | 0 | 0 | 112 | E12 G13 C14 G19 Y74 | E12-N16 PolarHBondContact O-N 2.82Å; E12-N16 PolarHBondContact O-ND2 2.9Å; E12-N16 PolarHBondContact OE1-ND2 2.87Å; G13-N16 PolarHBondContact O-N 2.84Å; C14-N16 VanDerWaalsContact C-N 3.34Å; C14-N16 PolarHBondContact O-N 2.79Å; N16-G19 PolarHBondContact O-N 2.9Å; N16-Y74 HydrophobicContact CB-CD2 4.38Å; N16-Y74 HydrophobicContact CB-CE2 3.67Å |
| 17 | L | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 174.9 | -173.3 | 151.5 | 0 | 0 | 0 | 112.3 | G13 C14 G19 L20 L61 V66 V70 I71 Y74 | G13-L17 WeakPolarHBondContact O-CB 3.39Å; G13-L17 PolarHBondContact O-N 2.79Å; C14-L17 PolarHBondContact O-N 3.49Å; L17-G19 PolarHBondContact O-N 3.28Å; L17-L20 WeakPolarHBondContact O-CB 3.14Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-L61 HydrophobicContact CD1-CD2 3.53Å; L17-L61 HydrophobicContact CD2-CD2 3.68Å; L17-L61 HydrophobicContact CG-CD2 4.23Å; L17-V66 HydrophobicContact CD2-CG1 3.91Å; L17-V70 HydrophobicContact CD2-CG1 3.93Å; L17-V70 HydrophobicContact CG-CG1 4.3Å; L17-I71 HydrophobicContact CD1-CB 4.37Å; L17-I71 HydrophobicContact CD1-CG1 4.18Å; L17-I71 HydrophobicContact CD1-CG2 4.33Å; L17-Y74 HydrophobicContact CB-CD1 4.33Å; L17-Y74 HydrophobicContact CB-CD2 3.72Å; L17-Y74 HydrophobicContact CB-CE2 4.26Å; L17-Y74 HydrophobicContact CB-CG 3.78Å; L17-Y74 HydrophobicContact CD1-CD1 3.81Å; L17-Y74 HydrophobicContact CD1-CG 3.78Å; L17-Y74 HydrophobicContact CG-CD1 4.48Å; L17-Y74 HydrophobicContact CG-CD2 4.37Å; L17-Y74 HydrophobicContact CG-CG 3.98Å |
| 18 | L | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -29 | 176.2 | -69.5 | 172.8 | 0 | 0 | 0 | 111.7 | C14 R15 L20 L21 I26 L29 R43 V47 I50 L51 L60 | C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.16Å; R15-L18 PolarHBondContact O-N 2.92Å; L18-L20 PolarHBondContact O-N 3.12Å; L18-L20 VanDerWaalsContact O-N 3.1Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 PolarHBondContact O-N 3.5Å; L18-L21 VanDerWaalsContact O-N 3.14Å; L18-I26 HydrophobicContact CB-CD1 3.92Å; L18-I26 HydrophobicContact CD2-CD1 3.84Å; L18-I26 HydrophobicContact CG-CD1 4.42Å; L18-I26 WeakPolarHBondContact O-CD1 3.33Å; L18-L29 HydrophobicContact CD2-CD2 3.51Å; L18-R43 PolarHBondContact O-NH2 2.96Å; L18-V47 HydrophobicContact CB-CG1 4.48Å; L18-V47 HydrophobicContact CB-CG2 4.42Å; L18-V47 HydrophobicContact CD1-CG1 4.17Å; L18-I50 HydrophobicContact CD1-CB 4.24Å; L18-I50 HydrophobicContact CD1-CG2 3.68Å; L18-I50 HydrophobicContact CD2-CG2 4.36Å; L18-L51 HydrophobicContact CD1-CD2 4.03Å; L18-L51 HydrophobicContact CD1-CG 4.27Å; L18-L60 HydrophobicContact CD1-CD2 4.46Å |
| 19 | G | 85.9 | Confident | 86.4 | Confident | 48 Ų | 48 | 47 Ų | 47 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R15 N16 L17 R43 | R15-G19 PolarHBondContact O-N 3.06Å; N16-G19 PolarHBondContact O-N 2.9Å; L17-G19 PolarHBondContact O-N 3.28Å; G19-R43 PolarHBondContact O-NH2 2.74Å; G19-R43 VanDerWaalsContact O-NH2 3.15Å |
| 20 | L | 83.9 | Confident | 86.9 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.4 | -179.3 | -57.9 | 177.2 | 0 | 0 | 0 | 114.6 | L17 L18 V70 K73 | L17-L20 WeakPolarHBondContact O-CB 3.14Å; L17-L20 PolarHBondContact O-N 3.28Å; L18-L20 PolarHBondContact O-N 3.12Å; L18-L20 VanDerWaalsContact O-N 3.1Å; L20-V70 HydrophobicContact CB-CG1 4.09Å; L20-K73 HydrophobicContact CD1-CB 4.27Å; L20-K73 HydrophobicContact CD1-CD 4.26Å; L20-K73 HydrophobicContact CD1-CG 4.09Å; L20-K73 HydrophobicContact CD2-CD 4.45Å |
| 21 | L | 83.6 | Confident | 87 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -85.8 | 149.5 | 178.2 | -69.3 | 171.1 | 0 | 0 | 0 | 110.8 | L18 E25 I26 L29 R43 K65 V66 V70 | L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 PolarHBondContact O-N 3.5Å; L18-L21 VanDerWaalsContact O-N 3.14Å; L21-E25 HydrophobicContact CB-CB 4.2Å; L21-E25 HydrophobicContact CD2-CB 4.38Å; L21-E25 WeakPolarHBondContact CD2-OE2 3.26Å; L21-I26 HydrophobicContact CB-CD1 3.8Å; L21-I26 HydrophobicContact CB-CG1 3.8Å; L21-I26 HydrophobicContact CD1-CD1 3.69Å; L21-I26 HydrophobicContact CG-CD1 4.36Å; L21-L29 HydrophobicContact CD1-CD2 3.97Å; L21-R43 PolarHBondContact O-NH1 2.89Å; L21-R43 PolarHBondContact O-NH2 2.94Å; L21-K65 WeakPolarHBondContact CD2-O 3.3Å; L21-V66 HydrophobicContact CD1-CG2 4.44Å; L21-V70 HydrophobicContact CD2-CB 4.34Å; L21-V70 HydrophobicContact CD2-CG1 3.93Å; L21-V70 HydrophobicContact CD2-CG2 3.7Å; L21-V70 HydrophobicContact CG-CG1 4.12Å |
| 22 | D | 87.6 | Confident | 87.1 | Confident | 114 Ų | 114 | 46.2 Ų | 46.2 | 61% | 0.61 | 25% | 0.25 | S | S | * | . | trans | -72.5 | 168.4 | 176.8 | -69.5 | -28.3 | 0 | 0 | 0 | 111.8 | D24 E25 I26 R43 | D22-D24 PolarHBondContact O-N 2.88Å; D22-E25 HydrophobicContact CB-CG 4.36Å; D22-E25 PolarHBondContact N-OE2 3.41Å; D22-E25 PolarHBondContact O-N 2.97Å; D22-I26 PolarHBondContact O-N 2.97Å; D22-R43 VanDerWaalsContact C-NH1 3.31Å; D22-R43 PolarHBondContact O-NH1 3.34Å | ||
| 23 | N | 87.2 | Confident | 87.2 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.8 | -46.3 | -175.5 | -162.7 | 26 | 0 | 0 | 0 | 112 | E25 I26 M27 R43 | N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 2.89Å; N23-I26 PolarHBondContact O-N 2.98Å; N23-M27 VanDerWaalsContact O-CG 3.31Å; N23-M27 WeakPolarHBondContact O-CG 3.48Å; N23-M27 PolarHBondContact O-N 2.84Å; N23-R43 WeakPolarHBondContact OD1-CB 3.27Å |
| 24 | D | 85.7 | Confident | 87.2 | Confident | 134 Ų | 134 | 42.4 Ų | 42.4 | 72% | 0.717 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.4 | -34.4 | 179.7 | -62.3 | -23.7 | 0 | 0 | 0 | 112.3 | D22 A28 | D22-D24 PolarHBondContact O-N 2.88Å; D24-A28 VanDerWaalsContact O-CB 3.25Å; D24-A28 WeakPolarHBondContact O-CB 3.14Å; D24-A28 PolarHBondContact O-N 2.86Å |
| 25 | E | 88.2 | Confident | 87.1 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 177.3 | -62.1 | -175.8 | 129.9 | 0 | 0 | 111.8 | L21 D22 N23 L29 | L21-E25 HydrophobicContact CB-CB 4.2Å; L21-E25 HydrophobicContact CD2-CB 4.38Å; L21-E25 WeakPolarHBondContact CD2-OE2 3.26Å; D22-E25 HydrophobicContact CB-CG 4.36Å; D22-E25 PolarHBondContact N-OE2 3.41Å; D22-E25 PolarHBondContact O-N 2.97Å; N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 2.89Å; E25-L29 WeakPolarHBondContact O-CB 3.39Å; E25-L29 PolarHBondContact O-N 3.39Å |
| 26 | I | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.5 | -75.5 | -60.2 | 0 | 0 | 0 | 111.5 | L18 L21 D22 N23 A28 L29 C30 R43 A46 V47 I50 | L18-I26 HydrophobicContact CB-CD1 3.92Å; L18-I26 HydrophobicContact CD2-CD1 3.84Å; L18-I26 HydrophobicContact CG-CD1 4.42Å; L18-I26 WeakPolarHBondContact O-CD1 3.33Å; L21-I26 HydrophobicContact CB-CD1 3.8Å; L21-I26 HydrophobicContact CB-CG1 3.8Å; L21-I26 HydrophobicContact CD1-CD1 3.69Å; L21-I26 HydrophobicContact CG-CD1 4.36Å; D22-I26 PolarHBondContact O-N 2.97Å; N23-I26 PolarHBondContact O-N 2.98Å; I26-A28 PolarHBondContact O-N 3.05Å; I26-L29 PolarHBondContact O-N 2.76Å; I26-C30 WeakPolarHBondContact O-CB 3.23Å; I26-C30 PolarHBondContact O-N 2.92Å; I26-R43 HydrophobicContact CG2-CG 4.31Å; I26-A46 HydrophobicContact CG2-CB 3.56Å; I26-V47 HydrophobicContact CD1-CG2 4.28Å; I26-V47 HydrophobicContact CG2-CG2 4.07Å; I26-I50 HydrophobicContact CD1-CD1 4.31Å; I26-I50 HydrophobicContact CG2-CD1 4.25Å |
| 27 | M | 86.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.7 | -62.8 | -60.3 | -103.4 | 0 | 0 | 110.9 | N23 L29 C30 D31 P40 A46 | N23-M27 VanDerWaalsContact O-CG 3.31Å; N23-M27 WeakPolarHBondContact O-CG 3.48Å; N23-M27 PolarHBondContact O-N 2.84Å; M27-L29 PolarHBondContact O-N 3.36Å; M27-C30 WeakPolarHBondContact O-CB 3.16Å; M27-C30 PolarHBondContact O-N 3.13Å; M27-D31 PolarHBondContact O-N 3.46Å; M27-D31 VanDerWaalsContact O-N 3.09Å; M27-P40 HydrophobicContact CE-CG 4Å; M27-P40 HydrophobicContact SD-CB 4.42Å; M27-P40 HydrophobicContact SD-CG 3.76Å; M27-A46 HydrophobicContact SD-CB 3.78Å |
| 28 | A | 88.1 | Confident | 85.7 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D24 I26 T32 K65 | D24-A28 VanDerWaalsContact O-CB 3.25Å; D24-A28 WeakPolarHBondContact O-CB 3.14Å; D24-A28 PolarHBondContact O-N 2.86Å; I26-A28 PolarHBondContact O-N 3.05Å; A28-T32 WeakPolarHBondContact O-CG2 3.28Å; A28-T32 PolarHBondContact O-N 3.27Å; A28-K65 HydrophobicContact CB-CD 4.47Å |
| 29 | L | 89.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 174.9 | -178.7 | 59.4 | 0 | 0 | 0 | 110.5 | L18 L21 E25 I26 M27 D31 T32 V33 I50 L60 R63 K65 V66 | L18-L29 HydrophobicContact CD2-CD2 3.51Å; L21-L29 HydrophobicContact CD1-CD2 3.97Å; E25-L29 WeakPolarHBondContact O-CB 3.39Å; E25-L29 PolarHBondContact O-N 3.39Å; I26-L29 PolarHBondContact O-N 2.76Å; M27-L29 PolarHBondContact O-N 3.36Å; L29-D31 PolarHBondContact O-N 3.46Å; L29-T32 PolarHBondContact O-N 3.14Å; L29-T32 VanDerWaalsContact O-N 3.13Å; L29-T32 PolarHBondContact O-OG1 3.06Å; L29-V33 HydrophobicContact CD1-CG2 3.85Å; L29-V33 HydrophobicContact CG-CG2 4.17Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.23Å; L29-I50 HydrophobicContact CB-CD1 4.18Å; L29-I50 HydrophobicContact CD2-CD1 4.16Å; L29-I50 HydrophobicContact CG-CD1 4.04Å; L29-I50 HydrophobicContact CG-CG1 4.49Å; L29-L60 HydrophobicContact CD1-CD1 4.31Å; L29-L60 HydrophobicContact CD2-CD1 4.18Å; L29-L60 HydrophobicContact CG-CD1 4.45Å; L29-R63 HydrophobicContact CD1-CB 3.77Å; L29-R63 HydrophobicContact CD1-CG 4.05Å; L29-K65 HydrophobicContact CB-CB 4.24Å; L29-K65 HydrophobicContact CD1-CB 4.32Å; L29-V66 HydrophobicContact CD1-CG2 4.46Å; L29-V66 HydrophobicContact CD2-CG2 3.86Å |
| 30 | C | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -50.5 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | I26 M27 T32 V33 T34 P40 A46 I50 | I26-C30 WeakPolarHBondContact O-CB 3.23Å; I26-C30 PolarHBondContact O-N 2.92Å; M27-C30 WeakPolarHBondContact O-CB 3.16Å; M27-C30 PolarHBondContact O-N 3.13Å; C30-T32 PolarHBondContact O-N 2.98Å; C30-V33 PolarHBondContact O-N 2.99Å; C30-V33 VanDerWaalsContact O-N 3.11Å; C30-T34 WeakPolarHBondContact O-CG2 3.03Å; C30-T34 PolarHBondContact O-N 2.93Å; C30-T34 PolarHBondContact O-OG1 3.01Å; C30-P40 HydrophobicContact CB-CG 4.37Å; C30-A46 HydrophobicContact CB-CB 4.14Å; C30-I50 HydrophobicContact CB-CD1 3.97Å; C30-I50 HydrophobicContact CB-CG1 3.85Å |
| 31 | D | 87.2 | Confident | 84.9 | Confident | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.4 | -40.4 | 176.8 | -84.7 | -1.1 | 0 | 0 | 0 | 113 | M27 L29 N35 R36 | M27-D31 PolarHBondContact O-N 3.46Å; M27-D31 VanDerWaalsContact O-N 3.09Å; L29-D31 PolarHBondContact O-N 3.46Å; D31-N35 CarbonylContact O-C 3.52Å; D31-N35 WeakPolarHBondContact O-CA 3.31Å; D31-N35 PolarHBondContact O-N 3.27Å; D31-R36 HydrophobicContact CB-CG 4.1Å; D31-R36 PolarHBondContact O-N 2.96Å |
| 32 | T | 86.9 | Confident | 84.9 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78.8 | -31.5 | -179.2 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | A28 L29 C30 R63 | A28-T32 WeakPolarHBondContact O-CG2 3.28Å; A28-T32 PolarHBondContact O-N 3.27Å; L29-T32 PolarHBondContact O-N 3.14Å; L29-T32 VanDerWaalsContact O-N 3.13Å; L29-T32 PolarHBondContact O-OG1 3.06Å; C30-T32 PolarHBondContact O-N 2.98Å; T32-R63 PolarHBondContact O-NH1 2.88Å; T32-R63 PolarHBondContact OG1-NH1 3.2Å |
| 33 | V | 86 | Confident | 84.9 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -80.1 | -39.5 | -178.4 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | L29 C30 N35 I50 L60 | L29-V33 HydrophobicContact CD1-CG2 3.85Å; L29-V33 HydrophobicContact CG-CG2 4.17Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.23Å; C30-V33 PolarHBondContact O-N 2.99Å; C30-V33 VanDerWaalsContact O-N 3.11Å; V33-N35 VanDerWaalsContact C-N 3.32Å; V33-I50 HydrophobicContact CG1-CG2 4.46Å; V33-I50 HydrophobicContact CG2-CG2 4.47Å; V33-L60 HydrophobicContact CG2-CD1 4Å |
| 34 | T | 84.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.6 | 177.6 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | C30 R36 L37 V38 A49 Y53 | C30-T34 WeakPolarHBondContact O-CG2 3.03Å; C30-T34 PolarHBondContact O-N 2.93Å; C30-T34 PolarHBondContact O-OG1 3.01Å; T34-R36 PolarHBondContact O-N 3.42Å; T34-R36 PolarHBondContact OG1-N 2.97Å; T34-L37 WeakPolarHBondContact O-CB 3.28Å; T34-L37 VanDerWaalsContact O-CD1 3.32Å; T34-L37 WeakPolarHBondContact O-CD1 3.48Å; T34-L37 WeakPolarHBondContact O-CG 3.12Å; T34-L37 PolarHBondContact O-N 3.16Å; T34-V38 HydrophobicContact CG2-CB 4.19Å; T34-V38 HydrophobicContact CG2-CG2 4.26Å; T34-A49 HydrophobicContact CG2-CB 4.16Å; T34-Y53 HydrophobicContact CG2-CD2 4.1Å; T34-Y53 HydrophobicContact CG2-CG 4.03Å |
| 35 | N | 83.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 67.5 Ų | 67.5 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.4 | -169.9 | -64.6 | -46.4 | 0 | 0 | 0 | 112.6 | D31 V33 L37 | D31-N35 CarbonylContact O-C 3.52Å; D31-N35 WeakPolarHBondContact O-CA 3.31Å; D31-N35 PolarHBondContact O-N 3.27Å; V33-N35 VanDerWaalsContact C-N 3.32Å; N35-L37 PolarHBondContact O-N 2.8Å |
| 36 | R | 82.4 | Confident | 84.6 | Confident | 196 Ų | 196 | 65.3 Ų | 65.3 | 74% | 0.74 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 20.9 | -175.5 | -55.5 | 177.7 | 174.4 | 174.2 | -1.3 | 114.8 | D31 T34 V38 | D31-R36 HydrophobicContact CB-CG 4.1Å; D31-R36 PolarHBondContact O-N 2.96Å; T34-R36 PolarHBondContact O-N 3.42Å; T34-R36 PolarHBondContact OG1-N 2.97Å; R36-V38 PolarHBondContact O-N 3.34Å |
| 37 | L | 75.1 | Confident | 84.4 | Confident | 135 Ų | 135 | 65.7 Ų | 65.7 | 71% | 0.707 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -70 | -21.8 | 172.7 | -75.4 | 156.9 | 0 | 0 | 0 | 112.2 | T34 N35 | T34-L37 WeakPolarHBondContact O-CB 3.28Å; T34-L37 VanDerWaalsContact O-CD1 3.32Å; T34-L37 WeakPolarHBondContact O-CD1 3.48Å; T34-L37 WeakPolarHBondContact O-CG 3.12Å; T34-L37 PolarHBondContact O-N 3.16Å; N35-L37 PolarHBondContact O-N 2.8Å |
| 38 | V | 79.8 | Confident | 84.3 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | trans | -128.2 | 133.6 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | T34 R36 A49 Y53 | T34-V38 HydrophobicContact CG2-CB 4.19Å; T34-V38 HydrophobicContact CG2-CG2 4.26Å; R36-V38 PolarHBondContact O-N 3.34Å; V38-A49 HydrophobicContact CG1-CB 4.33Å; V38-Y53 HydrophobicContact CG2-CE1 4.35Å; V38-Y53 HydrophobicContact CG2-CE2 3.73Å; V38-Y53 WeakPolarHBondContact CG2-OH 3.32Å | ||
| 39 | Q | 80.8 | Confident | 84.1 | Confident | 175 Ų | 175 | 67.9 Ų | 67.9 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | trans | -105.9 | 105.5 | 171.1 | -70.4 | -170.9 | -1.1 | 0 | 0 | 108.8 | ||||
| 40 | P | 82.3 | Confident | 84 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | trans | -72.4 | 134.1 | 179.6 | 28.8 | -33.9 | 0 | 0 | 0 | 111.2 | M27 C30 D45 A46 | M27-P40 HydrophobicContact CE-CG 4Å; M27-P40 HydrophobicContact SD-CB 4.42Å; M27-P40 HydrophobicContact SD-CG 3.76Å; C30-P40 HydrophobicContact CB-CG 4.37Å; P40-D45 HydrophobicContact CB-CB 4.26Å; P40-A46 VanDerWaalsContact CB-CA 3.5Å; P40-A46 HydrophobicContact CB-CB 3.61Å; P40-A46 HydrophobicContact CG-CB 3.71Å | ||
| 41 | E | 77.3 | Confident | 83.9 | Confident | 186 Ų | 186 | 68.5 Ų | 68.5 | 87% | 0.869 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -76.7 | -34 | 177.4 | -65.9 | -176.2 | 175 | 0 | 0 | 112.1 | ||
| 42 | D | 83.7 | Confident | 83.8 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -140.3 | 168.9 | -178.5 | 72.7 | 47.2 | 0 | 0 | 0 | 111.8 | Q44 D45 A46 | D42-Q44 VanDerWaalsContact C-N 3.28Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.37Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.34Å; D42-Q44 PolarHBondContact OD1-N 2.81Å; D42-D45 WeakPolarHBondContact O-CB 3.44Å; D42-D45 PolarHBondContact O-N 2.81Å; D42-D45 PolarHBondContact OD1-N 2.86Å; D42-A46 PolarHBondContact O-N 2.85Å |
| 43 | R | 88.1 | Confident | 83.6 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -38.3 | -179 | -179.1 | -178.7 | 164.5 | 83.1 | -2.6 | 112.9 | L18 G19 L21 D22 N23 I26 D45 A46 V47 | L18-R43 PolarHBondContact O-NH2 2.96Å; G19-R43 PolarHBondContact O-NH2 2.74Å; G19-R43 VanDerWaalsContact O-NH2 3.15Å; L21-R43 PolarHBondContact O-NH1 2.89Å; L21-R43 PolarHBondContact O-NH2 2.94Å; D22-R43 VanDerWaalsContact C-NH1 3.31Å; D22-R43 PolarHBondContact O-NH1 3.34Å; N23-R43 WeakPolarHBondContact OD1-CB 3.27Å; I26-R43 HydrophobicContact CG2-CG 4.31Å; R43-D45 VanDerWaalsContact C-N 3.33Å; R43-A46 PolarHBondContact O-N 3Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.48Å |
| 44 | Q | 84.5 | Confident | 83.6 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.6 | -35.1 | -178.4 | -65.2 | -61.3 | -38.3 | 0 | 0 | 110.7 | D42 V47 R48 | D42-Q44 VanDerWaalsContact C-N 3.28Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.37Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.34Å; D42-Q44 PolarHBondContact OD1-N 2.81Å; Q44-V47 PolarHBondContact O-N 2.79Å; Q44-R48 WeakPolarHBondContact O-CG 3.42Å; Q44-R48 PolarHBondContact O-N 2.76Å |
| 45 | D | 83.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 79 Ų | 79 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 173.7 | -157.2 | 48.6 | 0 | 0 | 0 | 111.9 | P40 D42 R43 V47 R48 A49 | P40-D45 HydrophobicContact CB-CB 4.26Å; D42-D45 WeakPolarHBondContact O-CB 3.44Å; D42-D45 PolarHBondContact O-N 2.81Å; D42-D45 PolarHBondContact OD1-N 2.86Å; R43-D45 VanDerWaalsContact C-N 3.33Å; D45-V47 PolarHBondContact O-N 3.12Å; D45-R48 VanDerWaalsContact CA-NH2 3.28Å; D45-R48 VanDerWaalsContact CB-NH2 3.34Å; D45-R48 PolarHBondContact O-N 2.83Å; D45-R48 IonicContact OD1-CZ 3.55Å; D45-R48 IonicContact OD1-NE 2.72Å; D45-R48 PolarHBondContact OD1-NE 2.96Å; D45-R48 IonicContact OD1-NH2 3.33Å; D45-R48 PolarHBondContact OD1-NH2 2.81Å; D45-A49 WeakPolarHBondContact O-CB 3.19Å; D45-A49 PolarHBondContact O-N 2.76Å |
| 46 | A | 86.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | I26 M27 C30 P40 D42 R43 A49 I50 | I26-A46 HydrophobicContact CG2-CB 3.56Å; M27-A46 HydrophobicContact SD-CB 3.78Å; C30-A46 HydrophobicContact CB-CB 4.14Å; P40-A46 VanDerWaalsContact CB-CA 3.5Å; P40-A46 HydrophobicContact CB-CB 3.61Å; P40-A46 HydrophobicContact CG-CB 3.71Å; D42-A46 PolarHBondContact O-N 2.85Å; R43-A46 PolarHBondContact O-N 3Å; A46-A49 PolarHBondContact O-N 3.36Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CD1 3.17Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.37Å |
| 47 | V | 87.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | R15 L18 I26 R43 Q44 D45 I50 L51 | R15-V47 HydrophobicContact CG-CG1 4.22Å; L18-V47 HydrophobicContact CB-CG1 4.48Å; L18-V47 HydrophobicContact CB-CG2 4.42Å; L18-V47 HydrophobicContact CD1-CG1 4.17Å; I26-V47 HydrophobicContact CD1-CG2 4.28Å; I26-V47 HydrophobicContact CG2-CG2 4.07Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.48Å; Q44-V47 PolarHBondContact O-N 2.79Å; D45-V47 PolarHBondContact O-N 3.12Å; V47-I50 PolarHBondContact O-N 3.5Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.33Å |
| 48 | R | 84.5 | Confident | 84.1 | Confident | 125 Ų | 125 | 61.6 Ų | 61.6 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.8 | -74 | -174.2 | -59.8 | -97.2 | 4.7 | 111.4 | Q44 D45 I50 L51 V52 | Q44-R48 WeakPolarHBondContact O-CG 3.42Å; Q44-R48 PolarHBondContact O-N 2.76Å; D45-R48 VanDerWaalsContact CA-NH2 3.28Å; D45-R48 VanDerWaalsContact CB-NH2 3.34Å; D45-R48 PolarHBondContact O-N 2.83Å; D45-R48 IonicContact OD1-CZ 3.55Å; D45-R48 IonicContact OD1-NE 2.72Å; D45-R48 PolarHBondContact OD1-NE 2.96Å; D45-R48 IonicContact OD1-NH2 3.33Å; D45-R48 PolarHBondContact OD1-NH2 2.81Å; R48-I50 PolarHBondContact O-N 3.04Å; R48-L51 PolarHBondContact O-N 3.34Å; R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.03Å; R48-V52 PolarHBondContact O-N 2.77Å |
| 49 | A | 82.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | T34 V38 D45 A46 L51 V52 Y53 | T34-A49 HydrophobicContact CG2-CB 4.16Å; V38-A49 HydrophobicContact CG1-CB 4.33Å; D45-A49 WeakPolarHBondContact O-CB 3.19Å; D45-A49 PolarHBondContact O-N 2.76Å; A46-A49 PolarHBondContact O-N 3.36Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.26Å; A49-V52 PolarHBondContact O-N 3.28Å; A49-Y53 WeakPolarHBondContact O-CB 3.3Å; A49-Y53 VanDerWaalsContact O-CD2 3.24Å; A49-Y53 WeakPolarHBondContact O-CD2 3.32Å; A49-Y53 PolarHBondContact O-N 3.21Å |
| 50 | I | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 175.4 | -70.8 | 161.4 | 0 | 0 | 0 | 111 | L18 I26 L29 C30 V33 A46 V47 R48 S54 L60 | L18-I50 HydrophobicContact CD1-CB 4.24Å; L18-I50 HydrophobicContact CD1-CG2 3.68Å; L18-I50 HydrophobicContact CD2-CG2 4.36Å; I26-I50 HydrophobicContact CD1-CD1 4.31Å; I26-I50 HydrophobicContact CG2-CD1 4.25Å; L29-I50 HydrophobicContact CB-CD1 4.18Å; L29-I50 HydrophobicContact CD2-CD1 4.16Å; L29-I50 HydrophobicContact CG-CD1 4.04Å; L29-I50 HydrophobicContact CG-CG1 4.49Å; C30-I50 HydrophobicContact CB-CD1 3.97Å; C30-I50 HydrophobicContact CB-CG1 3.85Å; V33-I50 HydrophobicContact CG1-CG2 4.46Å; V33-I50 HydrophobicContact CG2-CG2 4.47Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CD1 3.17Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.37Å; V47-I50 PolarHBondContact O-N 3.5Å; R48-I50 PolarHBondContact O-N 3.04Å; I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.28Å; I50-S54 PolarHBondContact O-N 3.14Å; I50-S54 VanDerWaalsContact O-N 3.14Å; I50-S54 PolarHBondContact O-OG 3.4Å; I50-L60 HydrophobicContact CG2-CD1 3.55Å; I50-L60 HydrophobicContact CG2-CD2 4.05Å; I50-L60 HydrophobicContact CG2-CG 4.47Å |
| 51 | L | 87.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | -178 | -66.3 | 171.2 | 0 | 0 | 0 | 112.6 | L6 M11 C14 R15 L18 V47 R48 A49 | L6-L51 HydrophobicContact CD1-CD2 3.93Å; M11-L51 HydrophobicContact CE-CB 3.83Å; M11-L51 HydrophobicContact CG-CB 4.32Å; M11-L51 HydrophobicContact CG-CD1 4.29Å; M11-L51 HydrophobicContact CG-CD2 4.38Å; C14-L51 HydrophobicContact CB-CD2 3.57Å; R15-L51 HydrophobicContact CB-CD1 3.83Å; R15-L51 HydrophobicContact CG-CD1 4.12Å; L18-L51 HydrophobicContact CD1-CD2 4.03Å; L18-L51 HydrophobicContact CD1-CG 4.27Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.33Å; R48-L51 PolarHBondContact O-N 3.34Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.26Å |
| 52 | V | 84.3 | Confident | 85.7 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 61% | 0.612 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.9 | -38.1 | -179.6 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | R48 A49 | R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.03Å; R48-V52 PolarHBondContact O-N 2.77Å; A49-V52 PolarHBondContact O-N 3.28Å |
| 53 | Y | 81.9 | Confident | 85.8 | Confident | 113 Ų | 113 | 50 Ų | 50 | 44% | 0.443 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -92.4 | -3.1 | -175.6 | -74.3 | -101.4 | 0 | 0 | 0 | 113.8 | T34 V38 A49 | T34-Y53 HydrophobicContact CG2-CD2 4.1Å; T34-Y53 HydrophobicContact CG2-CG 4.03Å; V38-Y53 HydrophobicContact CG2-CE1 4.35Å; V38-Y53 HydrophobicContact CG2-CE2 3.73Å; V38-Y53 WeakPolarHBondContact CG2-OH 3.32Å; A49-Y53 WeakPolarHBondContact O-CB 3.3Å; A49-Y53 VanDerWaalsContact O-CD2 3.24Å; A49-Y53 WeakPolarHBondContact O-CD2 3.32Å; A49-Y53 PolarHBondContact O-N 3.21Å |
| 54 | S | 86.6 | Confident | 85.3 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | trans | -80.7 | 128.2 | 176 | -68 | 0 | 0 | 0 | 0 | 111.8 | I50 | I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.28Å; I50-S54 PolarHBondContact O-N 3.14Å; I50-S54 VanDerWaalsContact O-N 3.14Å; I50-S54 PolarHBondContact O-OG 3.4Å | ||
| 55 | Q | 81.2 | Confident | 85.4 | Confident | 135 Ų | 135 | 57.1 Ų | 57.1 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -81.7 | -29.5 | -179.3 | -57.9 | 179.7 | 15.8 | 0 | 0 | 112.7 | E59 | Q55-E59 WeakPolarHBondContact CB-OE2 3.39Š|
| 56 | S | 84.6 | Confident | 85.6 | Confident | 48 Ų | 48 | 55 Ų | 55 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | trans | -154.6 | 156.6 | 175 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | L6 E58 E59 L60 | L6-S56 VanDerWaalsContact CD2-C 3.49Å; S56-E58 VanDerWaalsContact C-N 3.26Å; S56-E58 PolarHBondContact O-N 2.77Å; S56-E59 PolarHBondContact O-N 2.88Å; S56-E59 WeakPolarHBondContact OG-CB 3.23Å; S56-E59 PolarHBondContact OG-N 2.99Å; S56-E59 VanDerWaalsContact OG-N 3.17Å; S56-L60 PolarHBondContact O-N 2.85Å | ||
| 57 | A | 86.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L6 E10 L60 L61 W99 | L6-A57 HydrophobicContact CD2-CB 3.75Å; E10-A57 HydrophobicContact CB-CB 4.28Å; E10-A57 HydrophobicContact CG-CB 4.3Å; A57-L60 PolarHBondContact O-N 3.08Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.83Å; A57-W99 HydrophobicContact CB-CE3 4.39Å; A57-W99 HydrophobicContact CB-CZ3 3.73Å |
| 58 | E | 84.9 | Confident | 85.5 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.6 | -173.4 | 172.3 | 165.1 | 0 | 0 | 112.6 | S56 R62 I92 K96 | S56-E58 VanDerWaalsContact C-N 3.26Å; S56-E58 PolarHBondContact O-N 2.77Å; E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 2.66Å; E58-R62 IonicContact OE1-NH1 3.49Å; E58-R62 PolarHBondContact OE1-NH1 3.05Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.13Å; E58-I92 HydrophobicContact CB-CG2 4.32Å; E58-I92 HydrophobicContact CG-CG2 4.01Å; E58-K96 HydrophobicContact CB-CD 4.16Å; E58-K96 IonicContact OE2-NZ 2.86Å; E58-K96 PolarHBondContact OE2-NZ 2.94Å |
| 59 | E | 88.9 | Confident | 85.2 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 176.3 | -170.6 | -148.6 | 152 | 0 | 0 | 110.9 | Q55 S56 L61 R62 R63 | Q55-E59 WeakPolarHBondContact CB-OE2 3.39Å; S56-E59 PolarHBondContact O-N 2.88Å; S56-E59 WeakPolarHBondContact OG-CB 3.23Å; S56-E59 PolarHBondContact OG-N 2.99Å; S56-E59 VanDerWaalsContact OG-N 3.17Å; E59-L61 PolarHBondContact O-N 3.33Å; E59-R62 PolarHBondContact O-N 3.48Å; E59-R63 PolarHBondContact O-N 3.46Å; E59-R63 IonicContact OE1-CZ 3.97Å; E59-R63 IonicContact OE1-NE 3.22Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.44Å |
| 60 | L | 88.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 180 | 177.9 | 59.7 | 0 | 0 | 0 | 111.3 | C14 L18 L29 V33 I50 S56 A57 R62 R63 | C14-L60 HydrophobicContact CB-CD2 4.03Å; L18-L60 HydrophobicContact CD1-CD2 4.46Å; L29-L60 HydrophobicContact CD1-CD1 4.31Å; L29-L60 HydrophobicContact CD2-CD1 4.18Å; L29-L60 HydrophobicContact CG-CD1 4.45Å; V33-L60 HydrophobicContact CG2-CD1 4Å; I50-L60 HydrophobicContact CG2-CD1 3.55Å; I50-L60 HydrophobicContact CG2-CD2 4.05Å; I50-L60 HydrophobicContact CG2-CG 4.47Å; S56-L60 PolarHBondContact O-N 2.85Å; A57-L60 PolarHBondContact O-N 3.08Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.05Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.29Å; L60-R63 PolarHBondContact O-N 3.02Å |
| 61 | L | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.7 | -22.2 | -177.9 | -60.9 | -179.3 | 0 | 0 | 0 | 113.2 | L17 A57 E59 R63 V66 I71 K88 I92 A95 W99 | L17-L61 HydrophobicContact CD1-CD2 3.53Å; L17-L61 HydrophobicContact CD2-CD2 3.68Å; L17-L61 HydrophobicContact CG-CD2 4.23Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.83Å; E59-L61 PolarHBondContact O-N 3.33Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-V66 HydrophobicContact CD2-CG1 3.92Å; L61-I71 HydrophobicContact CB-CD1 4.02Å; L61-I71 HydrophobicContact CD2-CG1 4.38Å; L61-K88 WeakPolarHBondContact O-CE 3.3Å; L61-K88 PolarHBondContact O-NZ 2.85Å; L61-K88 VanDerWaalsContact O-NZ 3.13Å; L61-I92 HydrophobicContact CB-CD1 3.87Å; L61-I92 HydrophobicContact CB-CG1 3.69Å; L61-I92 HydrophobicContact CB-CG2 4.36Å; L61-I92 HydrophobicContact CD1-CG1 4.21Å; L61-I92 HydrophobicContact CD1-CG2 4.22Å; L61-A95 HydrophobicContact CD1-CB 4.31Å; L61-W99 HydrophobicContact CD1-CH2 3.94Å; L61-W99 HydrophobicContact CD1-CZ3 4.19Å |
| 62 | R | 88.1 | Confident | 84.5 | Confident | 128 Ų | 128 | 62.6 Ų | 62.6 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.1 | -23.9 | 172.5 | -84.1 | -174.4 | 175.2 | 130.2 | 9.1 | 113.1 | E58 E59 L60 K88 H89 I92 | E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 2.66Å; E58-R62 IonicContact OE1-NH1 3.49Å; E58-R62 PolarHBondContact OE1-NH1 3.05Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.13Å; E59-R62 PolarHBondContact O-N 3.48Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.05Å; R62-K88 PolarHBondContact O-NZ 2.69Å; R62-H89 PolarHBondContact NH2-CE1 3.01Å; R62-H89 PolarHBondContact NH2-ND1 3.36Å; R62-I92 HydrophobicContact CG-CD1 3.81Å |
| 63 | R | 84.7 | Confident | 84.3 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -54.3 | 146 | -178.3 | -63.1 | -62.5 | -176 | 110.4 | -6.5 | 111.6 | L29 T32 E59 L60 L61 K65 V66 K88 | L29-R63 HydrophobicContact CD1-CB 3.77Å; L29-R63 HydrophobicContact CD1-CG 4.05Å; T32-R63 PolarHBondContact O-NH1 2.88Å; T32-R63 PolarHBondContact OG1-NH1 3.2Å; E59-R63 PolarHBondContact O-N 3.46Å; E59-R63 IonicContact OE1-CZ 3.97Å; E59-R63 IonicContact OE1-NE 3.22Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.44Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.29Å; L60-R63 PolarHBondContact O-N 3.02Å; L61-R63 VanDerWaalsContact C-N 3.31Å; R63-K65 VanDerWaalsContact C-N 3.25Å; R63-K65 PolarHBondContact O-N 3.38Å; R63-V66 PolarHBondContact O-N 3.44Å; R63-K88 PolarHBondContact O-NZ 3.39Å |
| 64 | R | 78.6 | Confident | 84.6 | Confident | 221 Ų | 221 | 58.1 Ų | 58.1 | 83% | 0.834 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33.9 | -172.5 | -173.8 | 177 | 178 | -174.9 | 0.3 | 113.3 | V66 | R64-V66 VanDerWaalsContact C-N 3.32Š|
| 65 | K | 86.6 | Confident | 84.1 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 37% | 0.365 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.9 | 179.8 | -66.3 | -63.2 | -173.1 | 170.4 | 0 | 113.6 | L21 A28 L29 R63 H67 | L21-K65 WeakPolarHBondContact CD2-O 3.3Å; A28-K65 HydrophobicContact CB-CD 4.47Å; L29-K65 HydrophobicContact CB-CB 4.24Å; L29-K65 HydrophobicContact CD1-CB 4.32Å; R63-K65 VanDerWaalsContact C-N 3.25Å; R63-K65 PolarHBondContact O-N 3.38Å; K65-H67 PolarHBondContact O-CD2 2.98Å; K65-H67 PolarHBondContact O-N 2.83Å |
| 66 | V | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -85.1 | 91.7 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | L17 L21 L29 L61 R63 R64 I71 K88 | L17-V66 HydrophobicContact CD2-CG1 3.91Å; L21-V66 HydrophobicContact CD1-CG2 4.44Å; L29-V66 HydrophobicContact CD1-CG2 4.46Å; L29-V66 HydrophobicContact CD2-CG2 3.86Å; L61-V66 HydrophobicContact CD2-CG1 3.92Å; R63-V66 PolarHBondContact O-N 3.44Å; R64-V66 VanDerWaalsContact C-N 3.32Å; V66-I71 HydrophobicContact CG1-CD1 3.95Å; V66-I71 HydrophobicContact CG1-CG1 3.67Å; V66-K88 WeakPolarHBondContact O-CE 3.4Å; V66-K88 PolarHBondContact O-NZ 3.03Å |
| 67 | H | 83.8 | Confident | 82.9 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | trans | -69.8 | 154.8 | -179.9 | -72.1 | -75.6 | 0 | 0 | 0 | 111.6 | K65 E69 V70 I71 | K65-H67 PolarHBondContact O-CD2 2.98Å; K65-H67 PolarHBondContact O-N 2.83Å; H67-E69 PolarHBondContact O-N 3.04Å; H67-V70 HydrophobicContact CB-CG2 4.13Å; H67-V70 WeakPolarHBondContact O-CB 3.43Å; H67-V70 PolarHBondContact O-N 3.17Å; H67-I71 PolarHBondContact O-N 2.86Å | ||
| 68 | R | 87.6 | Confident | 82.2 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 179 | -174.5 | -164.3 | 81.2 | 90.2 | -0.4 | 110.5 | V70 I71 F72 P84 T86 K88 L91 | R68-V70 VanDerWaalsContact C-N 3.26Å; R68-V70 PolarHBondContact O-N 3.12Å; R68-I71 PolarHBondContact O-N 3.46Å; R68-F72 WeakPolarHBondContact O-CB 3.49Å; R68-F72 PolarHBondContact O-N 2.88Å; R68-P84 PolarHBondContact NH1-O 3.26Å; R68-P84 PolarHBondContact NH2-O 2.9Å; R68-T86 PolarHBondContact NH1-O 2.86Å; R68-K88 HydrophobicContact CB-CB 4.11Å; R68-K88 HydrophobicContact CB-CG 4.25Å; R68-K88 HydrophobicContact CG-CB 3.95Å; R68-K88 HydrophobicContact CG-CG 4.45Å; R68-L91 HydrophobicContact CG-CD1 3.4Å; R68-L91 VanDerWaalsContact CG-CD1 3.4Å; R68-L91 WeakPolarHBondContact O-CD1 3.27Å |
| 69 | E | 79.6 | Confident | 80.8 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -32.4 | -179.8 | -67.8 | 61.5 | -132.5 | 0 | 0 | 111.9 | H67 K73 | H67-E69 PolarHBondContact O-N 3.04Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.11Å |
| 70 | V | 84.6 | Confident | 79.5 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -44 | 178.3 | 179 | 0 | 0 | 0 | 0 | 110.4 | L17 L20 L21 H67 R68 F72 K73 Y74 | L17-V70 HydrophobicContact CD2-CG1 3.93Å; L17-V70 HydrophobicContact CG-CG1 4.3Å; L20-V70 HydrophobicContact CB-CG1 4.09Å; L21-V70 HydrophobicContact CD2-CB 4.34Å; L21-V70 HydrophobicContact CD2-CG1 3.93Å; L21-V70 HydrophobicContact CD2-CG2 3.7Å; L21-V70 HydrophobicContact CG-CG1 4.12Å; H67-V70 HydrophobicContact CB-CG2 4.13Å; H67-V70 WeakPolarHBondContact O-CB 3.43Å; H67-V70 PolarHBondContact O-N 3.17Å; R68-V70 VanDerWaalsContact C-N 3.26Å; R68-V70 PolarHBondContact O-N 3.12Å; V70-F72 VanDerWaalsContact C-N 3.35Å; V70-K73 PolarHBondContact O-N 2.54Å; V70-Y74 WeakPolarHBondContact O-CB 3.43Å; V70-Y74 PolarHBondContact O-N 2.99Å |
| 71 | I | 84.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 175.9 | -51.6 | 170.5 | 0 | 0 | 0 | 110 | L17 L61 V66 H67 R68 Y74 L75 K88 L91 I92 | L17-I71 HydrophobicContact CD1-CB 4.37Å; L17-I71 HydrophobicContact CD1-CG1 4.18Å; L17-I71 HydrophobicContact CD1-CG2 4.33Å; L61-I71 HydrophobicContact CB-CD1 4.02Å; L61-I71 HydrophobicContact CD2-CG1 4.38Å; V66-I71 HydrophobicContact CG1-CD1 3.95Å; V66-I71 HydrophobicContact CG1-CG1 3.67Å; H67-I71 PolarHBondContact O-N 2.86Å; R68-I71 PolarHBondContact O-N 3.46Å; I71-Y74 PolarHBondContact O-N 3.36Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 2.91Å; I71-K88 HydrophobicContact CD1-CG 4.06Å; I71-L91 HydrophobicContact CB-CB 4.29Å; I71-L91 HydrophobicContact CB-CD1 4.42Å; I71-L91 HydrophobicContact CG2-CB 3.73Å; I71-I92 HydrophobicContact CD1-CD1 4.24Å; I71-I92 HydrophobicContact CD1-CG1 3.7Å |
| 72 | F | 74.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 175.4 | -176.4 | -98 | 0 | 0 | 0 | 111.8 | R68 V70 Y74 L75 A76 I82 P83 P84 L91 | R68-F72 WeakPolarHBondContact O-CB 3.49Å; R68-F72 PolarHBondContact O-N 2.88Å; V70-F72 VanDerWaalsContact C-N 3.35Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.93Å; F72-L75 PolarHBondContact O-N 2.7Å; F72-A76 WeakPolarHBondContact O-CB 3Å; F72-A76 PolarHBondContact O-N 3.43Å; F72-I82 HydrophobicContact CE2-CB 4.35Å; F72-I82 WeakPolarHBondContact CE2-O 3.41Å; F72-P83 WeakPolarHBondContact CE2-O 3.26Å; F72-P84 HydrophobicContact CE2-CB 4.46Å; F72-P84 HydrophobicContact CZ-CB 4.14Å; F72-P84 HydrophobicContact CZ-CG 4Å; F72-L91 HydrophobicContact CB-CD1 3.84Å; F72-L91 HydrophobicContact CD2-CD1 4.39Å; F72-L91 HydrophobicContact CD2-CD2 4.07Å |
| 73 | K | 80.1 | Confident | 75.1 | Confident | 118 Ų | 118 | 65 Ų | 65 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.8 | -175.5 | 179.6 | -179.8 | -175.7 | 0 | 110.9 | L20 E69 V70 A76 T77 | L20-K73 HydrophobicContact CD1-CB 4.27Å; L20-K73 HydrophobicContact CD1-CD 4.26Å; L20-K73 HydrophobicContact CD1-CG 4.09Å; L20-K73 HydrophobicContact CD2-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.11Å; V70-K73 PolarHBondContact O-N 2.54Å; K73-A76 PolarHBondContact O-N 2.75Å; K73-T77 WeakPolarHBondContact O-CG2 3.03Å; K73-T77 PolarHBondContact O-N 3.14Å |
| 74 | Y | 87.1 | Confident | 73.6 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 175.4 | 173.6 | -101.3 | 0 | 0 | 0 | 111.6 | G13 N16 L17 V70 I71 F72 A76 T77 Q78 W99 | G13-Y74 WeakPolarHBondContact CA-OH 3.38Å; N16-Y74 HydrophobicContact CB-CD2 4.38Å; N16-Y74 HydrophobicContact CB-CE2 3.67Å; L17-Y74 HydrophobicContact CB-CD1 4.33Å; L17-Y74 HydrophobicContact CB-CD2 3.72Å; L17-Y74 HydrophobicContact CB-CE2 4.26Å; L17-Y74 HydrophobicContact CB-CG 3.78Å; L17-Y74 HydrophobicContact CD1-CD1 3.81Å; L17-Y74 HydrophobicContact CD1-CG 3.78Å; L17-Y74 HydrophobicContact CG-CD1 4.48Å; L17-Y74 HydrophobicContact CG-CD2 4.37Å; L17-Y74 HydrophobicContact CG-CG 3.98Å; V70-Y74 WeakPolarHBondContact O-CB 3.43Å; V70-Y74 PolarHBondContact O-N 2.99Å; I71-Y74 PolarHBondContact O-N 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.93Å; Y74-A76 VanDerWaalsContact C-N 3.26Å; Y74-A76 PolarHBondContact O-N 3.2Å; Y74-T77 WeakPolarHBondContact O-CA 3.42Å; Y74-T77 PolarHBondContact O-N 3.37Å; Y74-T77 PolarHBondContact O-OG1 3.43Å; Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CD2-CG 4.41Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.84Å; Y74-Q78 WeakPolarHBondContact O-CG 3.3Å; Y74-Q78 PolarHBondContact O-N 3.22Å; Y74-W99 HydrophobicContact CD1-CZ2 4.31Å; Y74-W99 AromaticContact CE1-CE2 3.81Å; Y74-W99 AromaticContact CE1-CZ2 3.51Å; Y74-W99 HydrophobicContact CE1-CZ2 3.51Å; Y74-W99 AromaticContact CE1-NE1 3.6Å; Y74-W99 AromaticContact CZ-CZ2 3.92Å; Y74-W99 AromaticContact CZ-NE1 3.61Å; Y74-W99 PolarHBondContact OH-NE1 2.85Å |
| 75 | L | 77.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | -179.2 | -68.1 | 163.3 | 0 | 0 | 0 | 111.9 | I71 F72 Q78 G79 I80 I82 L91 H94 A95 | I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 2.91Å; F72-L75 PolarHBondContact O-N 2.7Å; L75-Q78 CarbonylContact O-C 3.59Å; L75-Q78 PolarHBondContact O-N 3.42Å; L75-G79 PolarHBondContact O-N 2.79Å; L75-I80 CarbonylContact C-O 3.59Å; L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CD1 3.74Å; L75-I80 WeakPolarHBondContact O-CB 3.36Å; L75-I80 PolarHBondContact O-N 2.74Å; L75-I82 HydrophobicContact CB-CD1 3.66Å; L75-I82 HydrophobicContact CD1-CD1 3.29Å; L75-I82 HydrophobicContact CD2-CD1 4.37Å; L75-I82 HydrophobicContact CG-CD1 3.91Å; L75-L91 HydrophobicContact CD1-CB 4.23Å; L75-L91 HydrophobicContact CD1-CD2 4.32Å; L75-L91 VanDerWaalsContact CD1-O 3.32Å; L75-L91 WeakPolarHBondContact CD1-O 3.13Å; L75-H94 HydrophobicContact CD1-CB 4.18Å; L75-A95 HydrophobicContact CD1-CB 4.32Å; L75-A95 HydrophobicContact CD2-CB 3.85Å; L75-A95 HydrophobicContact CG-CB 4.46Å |
| 76 | A | 66.9 | Low | 71.5 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F72 K73 Y74 Q78 G79 | F72-A76 WeakPolarHBondContact O-CB 3Å; F72-A76 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 2.75Å; Y74-A76 VanDerWaalsContact C-N 3.26Å; Y74-A76 PolarHBondContact O-N 3.2Å; A76-Q78 PolarHBondContact O-N 2.85Å; A76-G79 PolarHBondContact O-N 2.77Å |
| 77 | T | 71.9 | Confident | 70.8 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -25.3 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | K73 Y74 G79 | K73-T77 WeakPolarHBondContact O-CG2 3.03Å; K73-T77 PolarHBondContact O-N 3.14Å; Y74-T77 WeakPolarHBondContact O-CA 3.42Å; Y74-T77 PolarHBondContact O-N 3.37Å; Y74-T77 PolarHBondContact O-OG1 3.43Å; T77-G79 VanDerWaalsContact C-N 3.26Å |
| 78 | Q | 71.6 | Confident | 70.8 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.3 | 175 | -58 | -52.3 | -63.6 | 0 | 0 | 113 | Y74 L75 A76 I80 Y98 | Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CD2-CG 4.41Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.84Å; Y74-Q78 WeakPolarHBondContact O-CG 3.3Å; Y74-Q78 PolarHBondContact O-N 3.22Å; L75-Q78 CarbonylContact O-C 3.59Å; L75-Q78 PolarHBondContact O-N 3.42Å; A76-Q78 PolarHBondContact O-N 2.85Å; Q78-I80 HydrophobicContact CB-CD1 4.42Å; Q78-I80 HydrophobicContact CB-CG1 4.32Å; Q78-Y98 HydrophobicContact CB-CD1 4.47Å; Q78-Y98 HydrophobicContact CB-CE1 3.75Å; Q78-Y98 HydrophobicContact CB-CE2 4.44Å; Q78-Y98 HydrophobicContact CG-CD1 4.49Å; Q78-Y98 HydrophobicContact CG-CE1 3.78Å; Q78-Y98 PolarHBondContact OE1-OH 2.82Å |
| 79 | G | 56.6 | Low | 70.3 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 12.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L75 A76 T77 | L75-G79 PolarHBondContact O-N 2.79Å; A76-G79 PolarHBondContact O-N 2.77Å; T77-G79 VanDerWaalsContact C-N 3.26Å |
| 80 | I | 62.1 | Low | 69.9 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | trans | -93.6 | 114.9 | -178.3 | -48.2 | 177.6 | 0 | 0 | 0 | 109.2 | L75 Q78 I82 Y98 | L75-I80 CarbonylContact C-O 3.59Å; L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CD1 3.74Å; L75-I80 WeakPolarHBondContact O-CB 3.36Å; L75-I80 PolarHBondContact O-N 2.74Å; Q78-I80 HydrophobicContact CB-CD1 4.42Å; Q78-I80 HydrophobicContact CB-CG1 4.32Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 3.85Å; I80-I82 PolarHBondContact O-N 2.98Å; I80-Y98 VanDerWaalsContact CD1-CB 3.49Å; I80-Y98 HydrophobicContact CD1-CD1 3.96Å; I80-Y98 HydrophobicContact CD1-CD2 3.19Å; I80-Y98 HydrophobicContact CD1-CE2 3.81Å; I80-Y98 HydrophobicContact CD1-CG 3.26Å; I80-Y98 HydrophobicContact CG1-CD2 3.98Å; I80-Y98 HydrophobicContact CG1-CE2 4.19Å; I80-Y98 HydrophobicContact CG1-CG 4.44Å | ||
| 81 | I | 57.6 | Low | 69.7 | Low | 170 Ų | 170 | 60.5 Ų | 60.5 | 87% | 0.872 | 35% | 0.347 | S | S | * | . | trans | -82.8 | 115 | -179.9 | -55.1 | 174.3 | 0 | 0 | 0 | 108.6 | ||||
| 82 | I | 59.3 | Low | 69.9 | Low | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | trans | -127 | 142.4 | 178.9 | -54.5 | 176.7 | 0 | 0 | 0 | 108.6 | F72 L75 I80 T86 L91 H94 | F72-I82 HydrophobicContact CE2-CB 4.35Å; F72-I82 WeakPolarHBondContact CE2-O 3.41Å; L75-I82 HydrophobicContact CB-CD1 3.66Å; L75-I82 HydrophobicContact CD1-CD1 3.29Å; L75-I82 HydrophobicContact CD2-CD1 4.37Å; L75-I82 HydrophobicContact CG-CD1 3.91Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 3.85Å; I80-I82 PolarHBondContact O-N 2.98Å; I82-T86 HydrophobicContact CG2-CG2 3.75Å; I82-T86 WeakPolarHBondContact CG2-OG1 2.96Å; I82-L91 HydrophobicContact CB-CD2 4.26Å; I82-L91 HydrophobicContact CD1-CD2 4.1Å; I82-L91 HydrophobicContact CG2-CD2 3.51Å; I82-H94 HydrophobicContact CD1-CB 3.63Å | ||
| 83 | P | 54.9 | Low | 70.2 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | trans | -58.1 | 137.5 | 176.6 | -25.8 | 32.8 | 0 | 0 | 0 | 112.7 | F72 A85 T86 | F72-P83 WeakPolarHBondContact CE2-O 3.26Å; P83-A85 PolarHBondContact O-N 3.36Å; P83-A85 VanDerWaalsContact O-N 3.15Å; P83-T86 WeakPolarHBondContact CB-OG1 3.33Å; P83-T86 WeakPolarHBondContact CD-OG1 3.48Å; P83-T86 WeakPolarHBondContact O-CB 3.22Å; P83-T86 PolarHBondContact O-N 3.43Å; P83-T86 PolarHBondContact O-OG1 2.81Å | ||
| 84 | P | 54.5 | Low | 70.3 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.9 | 177 | -22.2 | 32.4 | 0 | 0 | 0 | 113.8 | R68 F72 T86 | R68-P84 PolarHBondContact NH1-O 3.26Å; R68-P84 PolarHBondContact NH2-O 2.9Å; F72-P84 HydrophobicContact CE2-CB 4.46Å; F72-P84 HydrophobicContact CZ-CB 4.14Å; F72-P84 HydrophobicContact CZ-CG 4Å; P84-T86 VanDerWaalsContact C-N 3.33Å |
| 85 | A | 56.7 | Low | 70.3 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 76% | 0.76 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P83 E87 | P83-A85 PolarHBondContact O-N 3.36Å; P83-A85 VanDerWaalsContact O-N 3.15Å; A85-E87 PolarHBondContact O-N 2.89Å; A85-E87 VanDerWaalsContact O-N 3.16Å |
| 86 | T | 64.1 | Low | 70.9 | Confident | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | trans | -61.8 | 120.5 | -178 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | R68 I82 P83 P84 N90 L91 | R68-T86 PolarHBondContact NH1-O 2.86Å; I82-T86 HydrophobicContact CG2-CG2 3.75Å; I82-T86 WeakPolarHBondContact CG2-OG1 2.96Å; P83-T86 WeakPolarHBondContact CB-OG1 3.33Å; P83-T86 WeakPolarHBondContact CD-OG1 3.48Å; P83-T86 WeakPolarHBondContact O-CB 3.22Å; P83-T86 PolarHBondContact O-N 3.43Å; P83-T86 PolarHBondContact O-OG1 2.81Å; P84-T86 VanDerWaalsContact C-N 3.33Å; T86-N90 HydrophobicContact CG2-CB 3.44Å; T86-N90 VanDerWaalsContact CG2-CB 3.44Å; T86-L91 HydrophobicContact CG2-CD2 3.6Å; T86-L91 HydrophobicContact CG2-CG 3.98Å | ||
| 87 | E | 71.9 | Confident | 71.7 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | trans | -60.9 | 151.9 | -179.1 | -63.2 | -177.3 | 176.8 | 0 | 0 | 111.9 | A85 H89 N90 L91 | A85-E87 PolarHBondContact O-N 2.89Å; A85-E87 VanDerWaalsContact O-N 3.16Å; E87-H89 PolarHBondContact O-N 3.28Å; E87-H89 VanDerWaalsContact O-N 3.11Å; E87-N90 PolarHBondContact O-N 3.32Å; E87-L91 PolarHBondContact O-N 3.44Å; E87-L91 VanDerWaalsContact O-N 3.1Å | ||
| 88 | K | 84.1 | Confident | 72.2 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -52.2 | -39.2 | -175.9 | -171 | -179.2 | 175.8 | -175.9 | 0 | 113 | L61 R62 R63 V66 R68 I71 L91 I92 | L61-K88 WeakPolarHBondContact O-CE 3.3Å; L61-K88 PolarHBondContact O-NZ 2.85Å; L61-K88 VanDerWaalsContact O-NZ 3.13Å; R62-K88 PolarHBondContact O-NZ 2.69Å; R63-K88 PolarHBondContact O-NZ 3.39Å; V66-K88 WeakPolarHBondContact O-CE 3.4Å; V66-K88 PolarHBondContact O-NZ 3.03Å; R68-K88 HydrophobicContact CB-CB 4.11Å; R68-K88 HydrophobicContact CB-CG 4.25Å; R68-K88 HydrophobicContact CG-CB 3.95Å; R68-K88 HydrophobicContact CG-CG 4.45Å; I71-K88 HydrophobicContact CD1-CG 4.06Å; K88-L91 PolarHBondContact O-N 3.07Å; K88-I92 HydrophobicContact CG-CD1 4.25Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.46Å; K88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | H | 76.9 | Confident | 73 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.6 | -179.6 | 53.8 | 0 | 0 | 0 | 112.7 | R62 E87 I92 Q93 | R62-H89 PolarHBondContact NH2-CE1 3.01Å; R62-H89 PolarHBondContact NH2-ND1 3.36Å; E87-H89 PolarHBondContact O-N 3.28Å; E87-H89 VanDerWaalsContact O-N 3.11Å; H89-I92 WeakPolarHBondContact O-CB 3.44Å; H89-I92 PolarHBondContact O-N 2.97Å; H89-Q93 PolarHBondContact O-N 2.91Å; H89-Q93 VanDerWaalsContact O-N 3.11Å |
| 90 | N | 70.3 | Confident | 74.2 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 177.6 | -70.1 | -40.4 | 0 | 0 | 0 | 111.9 | T86 E87 I92 Q93 H94 | T86-N90 HydrophobicContact CG2-CB 3.44Å; T86-N90 VanDerWaalsContact CG2-CB 3.44Å; E87-N90 PolarHBondContact O-N 3.32Å; N90-I92 VanDerWaalsContact C-N 3.34Å; N90-I92 PolarHBondContact O-N 3.19Å; N90-Q93 PolarHBondContact O-N 3.07Å; N90-H94 PolarHBondContact O-CD2 2.92Å; N90-H94 PolarHBondContact O-N 3.1Å |
| 91 | L | 81.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 172.9 | -62.9 | -177 | 0 | 0 | 0 | 112.4 | R68 I71 F72 L75 I82 T86 E87 K88 Q93 H94 A95 | R68-L91 HydrophobicContact CG-CD1 3.4Å; R68-L91 VanDerWaalsContact CG-CD1 3.4Å; R68-L91 WeakPolarHBondContact O-CD1 3.27Å; I71-L91 HydrophobicContact CB-CB 4.29Å; I71-L91 HydrophobicContact CB-CD1 4.42Å; I71-L91 HydrophobicContact CG2-CB 3.73Å; F72-L91 HydrophobicContact CB-CD1 3.84Å; F72-L91 HydrophobicContact CD2-CD1 4.39Å; F72-L91 HydrophobicContact CD2-CD2 4.07Å; L75-L91 HydrophobicContact CD1-CB 4.23Å; L75-L91 HydrophobicContact CD1-CD2 4.32Å; L75-L91 VanDerWaalsContact CD1-O 3.32Å; L75-L91 WeakPolarHBondContact CD1-O 3.13Å; I82-L91 HydrophobicContact CB-CD2 4.26Å; I82-L91 HydrophobicContact CD1-CD2 4.1Å; I82-L91 HydrophobicContact CG2-CD2 3.51Å; T86-L91 HydrophobicContact CG2-CD2 3.6Å; T86-L91 HydrophobicContact CG2-CG 3.98Å; E87-L91 PolarHBondContact O-N 3.44Å; E87-L91 VanDerWaalsContact O-N 3.1Å; K88-L91 PolarHBondContact O-N 3.07Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.98Å; L91-H94 PolarHBondContact O-N 3Å; L91-A95 PolarHBondContact O-N 3.41Å |
| 92 | I | 88.6 | Confident | 74.9 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176 | -67.2 | 169.7 | 0 | 0 | 0 | 110.2 | E58 L61 R62 I71 K88 H89 N90 A95 K96 | E58-I92 HydrophobicContact CB-CG2 4.32Å; E58-I92 HydrophobicContact CG-CG2 4.01Å; L61-I92 HydrophobicContact CB-CD1 3.87Å; L61-I92 HydrophobicContact CB-CG1 3.69Å; L61-I92 HydrophobicContact CB-CG2 4.36Å; L61-I92 HydrophobicContact CD1-CG1 4.21Å; L61-I92 HydrophobicContact CD1-CG2 4.22Å; R62-I92 HydrophobicContact CG-CD1 3.81Å; I71-I92 HydrophobicContact CD1-CD1 4.24Å; I71-I92 HydrophobicContact CD1-CG1 3.7Å; K88-I92 HydrophobicContact CG-CD1 4.25Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.46Å; K88-I92 VanDerWaalsContact O-N 3.08Å; H89-I92 WeakPolarHBondContact O-CB 3.44Å; H89-I92 PolarHBondContact O-N 2.97Å; N90-I92 VanDerWaalsContact C-N 3.34Å; N90-I92 PolarHBondContact O-N 3.19Å; I92-A95 PolarHBondContact O-N 3.01Å; I92-K96 HydrophobicContact CG2-CD 4.23Å; I92-K96 WeakPolarHBondContact O-CG 2.93Å; I92-K96 PolarHBondContact O-N 2.74Å; I92-K96 VanDerWaalsContact O-N 3.07Å |
| 93 | Q | 80.3 | Confident | 74.6 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.3 | -168.7 | 57.6 | 44.4 | 0 | 0 | 111.8 | H89 N90 L91 A95 K96 D97 | H89-Q93 PolarHBondContact O-N 2.91Å; H89-Q93 VanDerWaalsContact O-N 3.11Å; N90-Q93 PolarHBondContact O-N 3.07Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.98Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3Å; Q93-K96 PolarHBondContact O-N 2.89Å; Q93-D97 PolarHBondContact NE2-OD1 3.41Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 3.3Å |
| 94 | H | 82.4 | Confident | 74 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 175.9 | -75.2 | -61.4 | 0 | 0 | 0 | 113.1 | L75 I82 N90 L91 Y98 | L75-H94 HydrophobicContact CD1-CB 4.18Å; I82-H94 HydrophobicContact CD1-CB 3.63Å; N90-H94 PolarHBondContact O-CD2 2.92Å; N90-H94 PolarHBondContact O-N 3.1Å; L91-H94 PolarHBondContact O-N 3Å; H94-Y98 WeakPolarHBondContact O-CB 3.36Å; H94-Y98 PolarHBondContact O-N 3.25Å |
| 95 | A | 87.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 L75 L91 I92 Q93 Y98 W99 | L61-A95 HydrophobicContact CD1-CB 4.31Å; L75-A95 HydrophobicContact CD1-CB 4.32Å; L75-A95 HydrophobicContact CD2-CB 3.85Å; L75-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 PolarHBondContact O-N 3.41Å; I92-A95 PolarHBondContact O-N 3.01Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3Å; A95-Y98 WeakPolarHBondContact O-CB 3.45Å; A95-Y98 PolarHBondContact O-N 3.45Å; A95-W99 HydrophobicContact CB-CE3 4.47Å; A95-W99 HydrophobicContact CB-CH2 4Å; A95-W99 HydrophobicContact CB-CZ2 4.15Å; A95-W99 HydrophobicContact CB-CZ3 4.12Å; A95-W99 VanDerWaalsContact O-CG 3.26Å; A95-W99 PolarHBondContact O-N 2.95Å; A95-W99 VanDerWaalsContact O-N 3.07Å |
| 96 | K | 89.1 | Confident | 72.8 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.4 | -69.4 | 172.9 | 70.5 | -170.4 | 0 | 111.6 | E58 I92 Q93 Y98 W99 Q100 | E58-K96 HydrophobicContact CB-CD 4.16Å; E58-K96 IonicContact OE2-NZ 2.86Å; E58-K96 PolarHBondContact OE2-NZ 2.94Å; I92-K96 HydrophobicContact CG2-CD 4.23Å; I92-K96 WeakPolarHBondContact O-CG 2.93Å; I92-K96 PolarHBondContact O-N 2.74Å; I92-K96 VanDerWaalsContact O-N 3.07Å; Q93-K96 PolarHBondContact O-N 2.89Å; K96-Y98 PolarHBondContact O-N 3.14Å; K96-W99 PolarHBondContact O-N 3.49Å; K96-Q100 WeakPolarHBondContact O-CG 3.26Å; K96-Q100 PolarHBondContact O-N 2.9Å |
| 97 | D | 83.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 179.2 | -68.4 | -4.5 | 0 | 0 | 0 | 111.5 | Q93 K101 | Q93-D97 PolarHBondContact NE2-OD1 3.41Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 3.3Å; D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 WeakPolarHBondContact O-CD 3.18Å; D97-K101 WeakPolarHBondContact O-CG 3.3Å; D97-K101 PolarHBondContact O-N 3.38Å; D97-K101 VanDerWaalsContact O-N 3.15Å |
| 98 | Y | 84 | Confident | 69.7 | Low | 46 Ų | 46 | 81.4 Ų | 81.4 | 18% | 0.18 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -48.8 | 176.8 | 176.1 | -111.3 | 0 | 0 | 0 | 112.3 | Q78 I80 H94 A95 K96 Q100 K101 Q102 | Q78-Y98 HydrophobicContact CB-CD1 4.47Å; Q78-Y98 HydrophobicContact CB-CE1 3.75Å; Q78-Y98 HydrophobicContact CB-CE2 4.44Å; Q78-Y98 HydrophobicContact CG-CD1 4.49Å; Q78-Y98 HydrophobicContact CG-CE1 3.78Å; Q78-Y98 PolarHBondContact OE1-OH 2.82Å; I80-Y98 VanDerWaalsContact CD1-CB 3.49Å; I80-Y98 HydrophobicContact CD1-CD1 3.96Å; I80-Y98 HydrophobicContact CD1-CD2 3.19Å; I80-Y98 HydrophobicContact CD1-CE2 3.81Å; I80-Y98 HydrophobicContact CD1-CG 3.26Å; I80-Y98 HydrophobicContact CG1-CD2 3.98Å; I80-Y98 HydrophobicContact CG1-CE2 4.19Å; I80-Y98 HydrophobicContact CG1-CG 4.44Å; H94-Y98 WeakPolarHBondContact O-CB 3.36Å; H94-Y98 PolarHBondContact O-N 3.25Å; A95-Y98 WeakPolarHBondContact O-CB 3.45Å; A95-Y98 PolarHBondContact O-N 3.45Å; K96-Y98 PolarHBondContact O-N 3.14Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.28Å; Y98-K101 PolarHBondContact O-N 3.28Å; Y98-K101 VanDerWaalsContact O-N 3.09Å; Y98-Q102 HydrophobicContact CE1-CG 4.14Å; Y98-Q102 HydrophobicContact CE2-CG 4.47Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.29Å; Y98-Q102 PolarHBondContact O-N 3.03Å; Y98-Q102 VanDerWaalsContact O-N 3.08Å; Y98-Q102 PolarHBondContact OH-NE2 2.88Å |
| 99 | W | 88 | Confident | 67.4 | Low | 3 Ų | 3 | 87.3 Ų | 87.3 | 1% | 0.011 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -31.1 | -179.9 | -60.1 | -35 | 0 | 0 | 0 | 112.7 | S9 E10 G13 A57 L61 Y74 A95 K96 | S9-W99 WeakPolarHBondContact CB-O 3.15Å; E10-W99 HydrophobicContact CB-CE3 4.33Å; E10-W99 HydrophobicContact CG-CB 4.31Å; E10-W99 HydrophobicContact CG-CE3 3.9Å; G13-W99 VanDerWaalsContact C-CZ2 3.43Å; G13-W99 VanDerWaalsContact CA-CE2 3.49Å; A57-W99 HydrophobicContact CB-CE3 4.39Å; A57-W99 HydrophobicContact CB-CZ3 3.73Å; L61-W99 HydrophobicContact CD1-CH2 3.94Å; L61-W99 HydrophobicContact CD1-CZ3 4.19Å; Y74-W99 HydrophobicContact CD1-CZ2 4.31Å; Y74-W99 AromaticContact CE1-CE2 3.81Å; Y74-W99 AromaticContact CE1-CZ2 3.51Å; Y74-W99 HydrophobicContact CE1-CZ2 3.51Å; Y74-W99 AromaticContact CE1-NE1 3.6Å; Y74-W99 AromaticContact CZ-CZ2 3.92Å; Y74-W99 AromaticContact CZ-NE1 3.61Å; Y74-W99 PolarHBondContact OH-NE1 2.85Å; A95-W99 HydrophobicContact CB-CE3 4.47Å; A95-W99 HydrophobicContact CB-CH2 4Å; A95-W99 HydrophobicContact CB-CZ2 4.15Å; A95-W99 HydrophobicContact CB-CZ3 4.12Å; A95-W99 VanDerWaalsContact O-CG 3.26Å; A95-W99 PolarHBondContact O-N 2.95Å; A95-W99 VanDerWaalsContact O-N 3.07Å; K96-W99 PolarHBondContact O-N 3.49Å |
| 100 | Q | 80.4 | Confident | 65 | Low | 123 Ų | 123 | 88.2 Ų | 88.2 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.7 | -29.2 | 173.6 | -71 | 179 | 0.5 | 0 | 0 | 113.3 | K96 Y98 P103 | K96-Q100 WeakPolarHBondContact O-CG 3.26Å; K96-Q100 PolarHBondContact O-N 2.9Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.28Å; Q100-P103 VanDerWaalsContact O-CD 3.28Å; Q100-P103 WeakPolarHBondContact O-CD 3.42Å |
| 101 | K | 72.6 | Confident | 63.1 | Low | 125 Ų | 125 | 90.6 Ų | 90.6 | 54% | 0.543 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -86.8 | -18.3 | 179.5 | -70.9 | 170 | -173.6 | 174.6 | 0 | 113.7 | D97 Y98 Q104 | D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 WeakPolarHBondContact O-CD 3.18Å; D97-K101 WeakPolarHBondContact O-CG 3.3Å; D97-K101 PolarHBondContact O-N 3.38Å; D97-K101 VanDerWaalsContact O-N 3.15Å; Y98-K101 PolarHBondContact O-N 3.28Å; Y98-K101 VanDerWaalsContact O-N 3.09Å; K101-Q104 PolarHBondContact O-N 2.62Å |
| 102 | Q | 63 | Low | 60.7 | Low | 46 Ų | 46 | 98.1 Ų | 98.1 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -55.1 | -32.9 | 179.7 | -83.3 | -151.1 | -10.8 | 0 | 0 | 116.3 | Y98 Q104 L105 | Y98-Q102 HydrophobicContact CE1-CG 4.14Å; Y98-Q102 HydrophobicContact CE2-CG 4.47Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.29Å; Y98-Q102 PolarHBondContact O-N 3.03Å; Y98-Q102 VanDerWaalsContact O-N 3.08Å; Y98-Q102 PolarHBondContact OH-NE2 2.88Å; Q102-Q104 PolarHBondContact O-N 3.43Å; Q102-L105 PolarHBondContact O-N 3.23Å |
| 103 | P | 52.1 | Low | 58.3 | Low | 87 Ų | 87 | 102.8 Ų | 102.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -23 | 175.9 | -22.7 | 33.8 | 0 | 0 | 0 | 113.9 | Q100 | Q100-P103 VanDerWaalsContact O-CD 3.28Å; Q100-P103 WeakPolarHBondContact O-CD 3.42Å |
| 104 | Q | 43 | Very low | 55.9 | Low | 163 Ų | 163 | 106 Ų | 106 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -93.8 | -18.6 | -174.7 | -59.1 | -170.7 | 2.3 | 0 | 0 | 114 | K101 Q102 | K101-Q104 PolarHBondContact O-N 2.62Å; Q102-Q104 PolarHBondContact O-N 3.43Å |
| 105 | L | 43.7 | Very low | 53.2 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -89.9 | -15 | -175.6 | -70.7 | 169.6 | 0 | 0 | 0 | 114 | Q102 L107 | Q102-L105 PolarHBondContact O-N 3.23Å; L105-L107 PolarHBondContact O-N 2.82Å |
| 106 | K | 42.2 | Very low | 50.6 | Low | 171 Ų | 171 | 117 Ų | 117 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 4.4 | -177.8 | -68.8 | -163 | 176.6 | -173.2 | 0 | 115.4 | ||
| 107 | L | 37.7 | Very low | 47.8 | Very low | 161 Ų | 161 | 120.4 Ų | 120.4 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -1.5 | -173.7 | -102.2 | 160.5 | 0 | 0 | 0 | 115.4 | L105 | L105-L107 PolarHBondContact O-N 2.82Š|
| 108 | K | 33.4 | Very low | 45.3 | Very low | 196 Ų | 196 | 126.8 Ų | 126.8 | 85% | 0.852 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -122.3 | -3.7 | -173.7 | -97 | -173.6 | 175.6 | -175.5 | 0 | 118.3 | ||
| 109 | E | 35.1 | Very low | 42.6 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | trans | -140.7 | 100.4 | 177.4 | -66.8 | -175.5 | 171.1 | 0 | 0 | 111.6 | ||||
| 110 | T | 26.3 | Very low | 40.4 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | trans | -164 | 141.1 | 145.6 | 7.7 | 0 | 0 | 0 | 0 | 108.1 | E112 | T110-E112 HydrophobicContact CG2-CG 3.65Š| ||
| 111 | P | 30.9 | Very low | 38 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | -126 | 125.2 | 72 | 16.2 | 5.1 | 0 | 0 | 0 | 112.7 | |||||
| 112 | E | 30.4 | Very low | 36.1 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | 60 | 152.2 | 78.9 | -75.3 | -150.4 | -173.7 | 0 | 0 | 116.4 | T110 | T110-E112 HydrophobicContact CG2-CG 3.65Š| |||
| 113 | P | 39.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | -143.1 | 152.3 | -46.6 | 37.9 | -20.4 | 0 | 0 | 0 | 113.6 | ||||
| 114 | V | 28.2 | Very low | 33.8 | Very low | 139 Ų | 139 | 155 Ų | 155 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 97.4 | 149.4 | -165 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 115 | T | 27.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 38.7 | 102.6 | 136.9 | -14.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 116 | K | 32.4 | Very low | 33 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | 13.8 | 148.3 | 119.7 | -59.2 | 178.7 | -175.6 | 179.2 | 0 | 117 | |||||
| 117 | T | 30 | Very low | 32.8 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | cis | 176.4 | 138.3 | -4.5 | -76.5 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 118 | E | 30.1 | Very low | 32.8 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 168.3 | 89 | 153.9 | -96 | 166.4 | -148.6 | 0 | 0 | 106 | ||||
| 119 | D | 27.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | 86.7 | 112.4 | 84.1 | -80.7 | -27.9 | 0 | 0 | 0 | 114.2 | |||||
| 120 | I | 41.6 | Very low | 33 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 57.7 | 74.8 | 134 | -45.2 | 167.2 | 0 | 0 | 0 | 115.5 | ||||
| 121 | Q | 31.3 | Very low | 33.8 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -153.4 | 14.9 | 159 | -117.3 | 171.4 | 48.5 | 0 | 0 | 116.4 | ||||
| 122 | L | 32.3 | Very low | 33.8 | Very low | 160 Ų | 160 | 164.1 Ų | 164.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 1.3 | -172.5 | -86.9 | 156.2 | 0 | 0 | 0 | 116.2 | ||
| 123 | F | 34.3 | Very low | 34.1 | Very low | 210 Ų | 210 | 161 Ų | 161 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 10.1 | -174.4 | -92.9 | -79.5 | 0 | 0 | 0 | 116.6 | ||
| 124 | Q | 31.5 | Very low | 34.3 | Very low | 193 Ų | 193 | 165.2 Ų | 165.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -129.4 | 7.8 | 178 | -74.1 | -175.3 | -13.4 | 0 | 0 | 116 | ||
| 125 | Q | 33.2 | Very low | 35.4 | Very low | 163 Ų | 163 | 167.8 Ų | 167.8 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -120.5 | 26.4 | -176.4 | -147.6 | 164.3 | 0.7 | 0 | 0 | 115.2 | ||||
| 126 | Q | 36.8 | Very low | 37 | Very low | 189 Ų | 189 | 166.1 Ų | 166.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -106.7 | 30.3 | 171.8 | -89 | -174.5 | -17.9 | 0 | 0 | 114.1 | ||
| 127 | V | 39.3 | Very low | 39.4 | Very low | 140 Ų | 140 | 161.4 Ų | 161.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -114 | 1.1 | 168 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 128 | K | 36.3 | Very low | 41.9 | Very low | 189 Ų | 189 | 159.2 Ų | 159.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -145.2 | 60.4 | 178.3 | -72.8 | -172 | 178.3 | 175.8 | 0 | 113.1 | ||
| 129 | E | 33 | Very low | 44.5 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -144.5 | 40.8 | 157.2 | -119.3 | 171.3 | -159.2 | 0 | 0 | 112.7 | K131 | E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å | ||
| 130 | D | 40.8 | Very low | 47.4 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 92.8 | 146 | -91.4 | -34.8 | 0 | 0 | 0 | 108.1 | ||||
| 131 | K | 42.2 | Very low | 49.7 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 169.3 | 69.2 | 146.9 | -91.9 | 164.6 | -173.1 | -175.3 | 0 | 112.1 | E129 | E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å |
| 132 | K | 30.6 | Very low | 52.6 | Low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 68% | 0.682 | S | S | * | * | trans | -171.9 | 87 | 135.3 | -104.4 | 172 | -175.8 | -177.4 | 0 | 107.5 | E134 | K132-E134 PolarHBondContact O-N 2.87Š| ||
| 133 | A | 38 | Very low | 55.4 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | -61.6 | 103.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K135 | A133-K135 PolarHBondContact O-N 3.34Š| ||
| 134 | E | 42.9 | Very low | 58.2 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -65.9 | 93.1 | 146.3 | -152.4 | 173.9 | -145.4 | 0 | 0 | 104.9 | K132 V136 | K132-E134 PolarHBondContact O-N 2.87Å; E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.21Å | ||
| 135 | K | 51.4 | Low | 61.2 | Low | 192 Ų | 192 | 124 Ų | 124 | 84% | 0.835 | 59% | 0.594 | S | S | * | * | trans | -67.9 | 93.9 | -173.4 | -156.3 | -178.9 | -171.3 | -175.3 | 0 | 106.3 | A133 D137 | A133-K135 PolarHBondContact O-N 3.34Å; K135-D137 PolarHBondContact O-N 2.8Å | ||
| 136 | V | 62.3 | Low | 64.2 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | -49.2 | 116.4 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | E134 F138 | E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.21Å; V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 HydrophobicContact CB-CE1 4.32Å; V136-F138 HydrophobicContact CB-CE2 4.24Å; V136-F138 HydrophobicContact CB-CZ 4.02Å; V136-F138 HydrophobicContact CG1-CD1 4.17Å; V136-F138 HydrophobicContact CG1-CE1 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.14Å; V136-F138 WeakPolarHBondContact O-CD2 3.36Å; V136-F138 WeakPolarHBondContact O-CE2 3.48Å; V136-F138 PolarHBondContact O-N 3.3Å | ||
| 137 | D | 81.8 | Confident | 66.9 | Low | 94 Ų | 94 | 113.2 Ų | 113.2 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | trans | -75.7 | 89.4 | 179.5 | -174 | -8.1 | 0 | 0 | 0 | 108.6 | K135 R139 R140 L141 | K135-D137 PolarHBondContact O-N 2.8Å; D137-R139 PolarHBondContact O-N 3.19Å; D137-R139 WeakPolarHBondContact OD1-CB 3.45Å; D137-R139 PolarHBondContact OD1-N 3.34Å; D137-R140 HydrophobicContact CB-CB 4Å; D137-R140 PolarHBondContact O-N 3.31Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 PolarHBondContact OD1-N 3.42Å; D137-L141 PolarHBondContact O-N 3.34Å | ||
| 138 | F | 82.9 | Confident | 69.6 | Low | 60 Ų | 60 | 111.5 Ų | 111.5 | 26% | 0.263 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -22.9 | -179.8 | -65.4 | -72.7 | 0 | 0 | 0 | 112.8 | V136 G142 C224 S226 V232 | V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 HydrophobicContact CB-CE1 4.32Å; V136-F138 HydrophobicContact CB-CE2 4.24Å; V136-F138 HydrophobicContact CB-CZ 4.02Å; V136-F138 HydrophobicContact CG1-CD1 4.17Å; V136-F138 HydrophobicContact CG1-CE1 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.14Å; V136-F138 WeakPolarHBondContact O-CD2 3.36Å; V136-F138 WeakPolarHBondContact O-CE2 3.48Å; V136-F138 PolarHBondContact O-N 3.3Å; F138-G142 PolarHBondContact O-N 3.26Å; F138-C224 HydrophobicContact CB-CB 4.25Å; F138-C224 WeakPolarHBondContact O-CB 3.49Å; F138-C224 PolarHBondContact O-SG 3.36Å; F138-C224 VanDerWaalsContact O-SG 3.34Å; F138-S226 WeakPolarHBondContact CD2-OG 3.36Å; F138-S226 WeakPolarHBondContact CE2-OG 3.31Å; F138-S226 VanDerWaalsContact CZ-CB 3.42Å; F138-S226 VanDerWaalsContact CZ-OG 3.3Å; F138-S226 WeakPolarHBondContact CZ-OG 3.25Å; F138-V232 HydrophobicContact CD1-CG1 4.01Å; F138-V232 HydrophobicContact CD1-CG2 3.7Å; F138-V232 HydrophobicContact CE1-CG2 3.52Å |
| 139 | R | 85.2 | Confident | 72.5 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -47.1 | 174.7 | -176 | 172.6 | 178 | -75.8 | -18.9 | 110.1 | D137 L141 G142 E143 | D137-R139 PolarHBondContact O-N 3.19Å; D137-R139 WeakPolarHBondContact OD1-CB 3.45Å; D137-R139 PolarHBondContact OD1-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.17Å; R139-G142 PolarHBondContact O-N 2.92Å; R139-G142 VanDerWaalsContact O-N 3.16Å; R139-E143 IonicContact CZ-OE1 2.74Å; R139-E143 IonicContact NE-OE1 2.86Å; R139-E143 IonicContact NH1-OE1 3.82Å; R139-E143 PolarHBondContact NH1-OE1 2.97Å; R139-E143 IonicContact NH2-OE1 3.79Å; R139-E143 PolarHBondContact NH2-OE1 3.12Å; R139-E143 WeakPolarHBondContact O-CG 3.41Å; R139-E143 PolarHBondContact O-N 3.22Å |
| 140 | R | 88.8 | Confident | 75.5 | Confident | 152 Ų | 152 | 94 Ų | 94 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 173.8 | -177.6 | 177.4 | 169.7 | 174.1 | -0.6 | 112 | D137 G142 E143 E144 | D137-R140 HydrophobicContact CB-CB 4Å; D137-R140 PolarHBondContact O-N 3.31Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 PolarHBondContact OD1-N 3.42Å; R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.22Å; R140-E143 PolarHBondContact O-N 3.1Å; R140-E144 IonicContact CZ-OE1 3.68Å; R140-E144 IonicContact NE-OE1 2.6Å; R140-E144 PolarHBondContact NE-OE1 3.48Å; R140-E144 IonicContact NH2-OE1 3.73Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.44Å; R140-E144 PolarHBondContact O-N 2.74Å |
| 141 | L | 89.9 | Confident | 78.1 | Confident | 23 Ų | 23 | 87.7 Ų | 87.7 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 173.9 | 178.7 | 157.2 | 0 | 0 | 0 | 111.6 | D137 R139 E144 F145 V232 V234 L256 W266 | D137-L141 PolarHBondContact O-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.17Å; L141-E144 PolarHBondContact O-N 2.94Å; L141-F145 WeakPolarHBondContact O-CB 3.5Å; L141-F145 PolarHBondContact O-N 2.6Å; L141-V232 HydrophobicContact CD2-CG1 4.02Å; L141-V234 HydrophobicContact CD2-CG2 4.31Å; L141-L256 HydrophobicContact CD2-CD1 4.09Å; L141-W266 HydrophobicContact CD1-CD2 4.29Å; L141-W266 HydrophobicContact CD1-CH2 4.37Å; L141-W266 HydrophobicContact CD1-CZ2 3.63Å |
| 142 | G | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F138 R139 R140 F145 C146 C224 | F138-G142 PolarHBondContact O-N 3.26Å; R139-G142 PolarHBondContact O-N 2.92Å; R139-G142 VanDerWaalsContact O-N 3.16Å; R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.22Å; G142-F145 PolarHBondContact O-N 2.93Å; G142-C146 WeakPolarHBondContact O-CB 3.35Å; G142-C146 PolarHBondContact O-N 3.44Å; G142-C146 PolarHBondContact O-SG 3.06Å; G142-C146 VanDerWaalsContact O-SG 3.34Å; G142-C224 VanDerWaalsContact CA-SG 3.56Å |
| 143 | E | 92 | Very high | 83.8 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.6 | -71.3 | 175.1 | 179.4 | 0 | 0 | 110.9 | R139 R140 C146 H147 L222 | R139-E143 IonicContact CZ-OE1 2.74Å; R139-E143 IonicContact NE-OE1 2.86Å; R139-E143 IonicContact NH1-OE1 3.82Å; R139-E143 PolarHBondContact NH1-OE1 2.97Å; R139-E143 IonicContact NH2-OE1 3.79Å; R139-E143 PolarHBondContact NH2-OE1 3.12Å; R139-E143 WeakPolarHBondContact O-CG 3.41Å; R139-E143 PolarHBondContact O-N 3.22Å; R140-E143 PolarHBondContact O-N 3.1Å; E143-C146 PolarHBondContact O-N 3.39Å; E143-H147 PolarHBondContact O-N 3.21Å; E143-H147 PolarHBondContact O-ND1 3.42Å; E143-L222 HydrophobicContact CB-CD2 4.21Å; E143-L222 HydrophobicContact CG-CD2 3.4Å |
| 144 | E | 92.9 | Very high | 86.6 | Confident | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.7 | -71.2 | 175.7 | -173.5 | 0 | 0 | 111.2 | R140 L141 H147 W148 | R140-E144 IonicContact CZ-OE1 3.68Å; R140-E144 IonicContact NE-OE1 2.6Å; R140-E144 PolarHBondContact NE-OE1 3.48Å; R140-E144 IonicContact NH2-OE1 3.73Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.44Å; R140-E144 PolarHBondContact O-N 2.74Å; L141-E144 PolarHBondContact O-N 2.94Å; E144-H147 PolarHBondContact O-N 3Å; E144-W148 WeakPolarHBondContact O-CB 3.29Å; E144-W148 PolarHBondContact O-N 3Å |
| 145 | F | 94.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 176.1 | 171.2 | -94 | 0 | 0 | 0 | 112.1 | L141 G142 W148 F149 V234 F254 L256 I268 | L141-F145 WeakPolarHBondContact O-CB 3.5Å; L141-F145 PolarHBondContact O-N 2.6Å; G142-F145 PolarHBondContact O-N 2.93Å; F145-W148 AromaticContact CD2-CE3 3.95Å; F145-W148 HydrophobicContact CD2-CE3 3.95Å; F145-W148 AromaticContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CE3 4.05Å; F145-W148 AromaticContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CZ-CZ3 4.43Å; F145-W148 PolarHBondContact O-N 2.97Å; F145-F149 HydrophobicContact CE1-CB 4.28Å; F145-F149 HydrophobicContact CZ-CB 4.21Å; F145-F149 HydrophobicContact CZ-CD2 4.17Å; F145-F149 HydrophobicContact CZ-CG 4.31Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.7Å; F145-V234 HydrophobicContact CD1-CB 4.4Å; F145-V234 HydrophobicContact CD1-CG1 4.09Å; F145-V234 HydrophobicContact CD1-CG2 4.5Å; F145-F254 HydrophobicContact CE1-CB 4.16Å; F145-F254 HydrophobicContact CE1-CD1 4.01Å; F145-F254 AromaticContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CE1 4.26Å; F145-F254 AromaticContact CE1-CE2 3.89Å; F145-F254 HydrophobicContact CE1-CE2 3.89Å; F145-F254 AromaticContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CZ 4.18Å; F145-F254 HydrophobicContact CZ-CB 4.24Å; F145-F254 AromaticContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD2 4.25Å; F145-F254 HydrophobicContact CZ-CE1 4.11Å; F145-F254 AromaticContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CZ 4.45Å; F145-L256 HydrophobicContact CB-CD1 4.44Å; F145-L256 HydrophobicContact CD1-CD1 4.24Å; F145-L256 HydrophobicContact CD2-CD1 3.67Å; F145-L256 HydrophobicContact CD2-CD2 4.11Å; F145-L256 HydrophobicContact CE1-CD1 4.49Å; F145-L256 HydrophobicContact CE1-CD2 4.45Å; F145-L256 HydrophobicContact CE2-CD1 3.93Å; F145-L256 HydrophobicContact CE2-CD2 3.48Å; F145-L256 VanDerWaalsContact CE2-CD2 3.48Å; F145-L256 HydrophobicContact CE2-CG 4.36Å; F145-L256 HydrophobicContact CG-CD1 3.84Å; F145-L256 HydrophobicContact CZ-CD1 4.35Å; F145-L256 HydrophobicContact CZ-CD2 3.7Å; F145-I268 HydrophobicContact CE2-CD1 4.22Å; F145-I268 HydrophobicContact CE2-CG1 4.04Å; F145-I268 HydrophobicContact CZ-CD1 4.1Å; F145-I268 HydrophobicContact CZ-CG1 4.1Å |
| 146 | C | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -179 | -73.5 | 0 | 0 | 0 | 0 | 112 | G142 E143 W148 F149 F150 L217 | G142-C146 WeakPolarHBondContact O-CB 3.35Å; G142-C146 PolarHBondContact O-N 3.44Å; G142-C146 PolarHBondContact O-SG 3.06Å; G142-C146 VanDerWaalsContact O-SG 3.34Å; E143-C146 PolarHBondContact O-N 3.39Å; C146-W148 VanDerWaalsContact C-N 3.32Å; C146-W148 PolarHBondContact O-N 3.37Å; C146-F149 PolarHBondContact O-N 3.28Å; C146-F150 HydrophobicContact CB-CD2 4.12Å; C146-F150 HydrophobicContact CB-CE2 4.21Å; C146-F150 VanDerWaalsContact O-CD2 3.24Å; C146-F150 WeakPolarHBondContact O-CD2 3.42Å; C146-F150 PolarHBondContact O-N 2.96Å; C146-L217 HydrophobicContact CB-CD2 3.57Å |
| 147 | H | 94.1 | Very high | 92.6 | Very high | 124 Ų | 124 | 44.2 Ų | 44.2 | 57% | 0.574 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57 | -48.1 | 174.1 | -78.5 | 106 | 0 | 0 | 0 | 111.4 | E143 E144 G151 L217 | E143-H147 PolarHBondContact O-N 3.21Å; E143-H147 PolarHBondContact O-ND1 3.42Å; E144-H147 PolarHBondContact O-N 3Å; H147-G151 WeakPolarHBondContact O-CA 3.27Å; H147-G151 PolarHBondContact O-N 2.92Å; H147-L217 WeakPolarHBondContact CE1-CD1 3.33Å; H147-L217 WeakPolarHBondContact NE2-CD1 3.47Å |
| 148 | W | 94.8 | Very high | 93 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 39% | 0.394 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.4 | -53.6 | 177.2 | 164.7 | 77.2 | 0 | 0 | 0 | 112 | E144 F145 C146 G151 L152 H171 | E144-W148 WeakPolarHBondContact O-CB 3.29Å; E144-W148 PolarHBondContact O-N 3Å; F145-W148 AromaticContact CD2-CE3 3.95Å; F145-W148 HydrophobicContact CD2-CE3 3.95Å; F145-W148 AromaticContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CE3 4.05Å; F145-W148 AromaticContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CZ-CZ3 4.43Å; F145-W148 PolarHBondContact O-N 2.97Å; C146-W148 VanDerWaalsContact C-N 3.32Å; C146-W148 PolarHBondContact O-N 3.37Å; W148-G151 PolarHBondContact O-N 3.48Å; W148-L152 HydrophobicContact CZ2-CD2 4.2Å; W148-L152 WeakPolarHBondContact O-CB 3.37Å; W148-L152 PolarHBondContact O-N 3.12Å; W148-H171 HydrophobicContact CH2-CB 4.07Å; W148-H171 HydrophobicContact CZ2-CB 4.42Å; W148-H171 AromaticContact CZ2-CG 3.98Å; W148-H171 AromaticContact CZ2-ND1 3.72Å |
| 149 | F | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -51.8 | -172.5 | 179.4 | -89.7 | 0 | 0 | 0 | 112.1 | F145 C146 L153 W167 L202 F254 I268 | F145-F149 HydrophobicContact CE1-CB 4.28Å; F145-F149 HydrophobicContact CZ-CB 4.21Å; F145-F149 HydrophobicContact CZ-CD2 4.17Å; F145-F149 HydrophobicContact CZ-CG 4.31Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.7Å; C146-F149 PolarHBondContact O-N 3.28Å; F149-L153 HydrophobicContact CE1-CD2 3.92Å; F149-L153 HydrophobicContact CZ-CD2 4.2Å; F149-L153 VanDerWaalsContact O-CB 3.22Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.75Å; F149-W167 HydrophobicContact CD2-CH2 4.26Å; F149-W167 HydrophobicContact CD2-CZ3 4.31Å; F149-W167 AromaticContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CZ3 4.04Å; F149-W167 AromaticContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CZ3 4.48Å; F149-L202 HydrophobicContact CZ-CD1 4.15Å; F149-F254 HydrophobicContact CD1-CE1 4.24Å; F149-F254 AromaticContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD2-CE1 4.18Å; F149-F254 HydrophobicContact CD2-CZ 4.48Å; F149-F254 AromaticContact CE1-CE1 3.86Å; F149-F254 HydrophobicContact CE1-CE1 3.86Å; F149-F254 AromaticContact CE1-CZ 3.55Å; F149-F254 HydrophobicContact CE1-CZ 3.55Å; F149-F254 AromaticContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CZ 4.27Å; F149-F254 HydrophobicContact CG-CE1 4.39Å; F149-F254 HydrophobicContact CG-CZ 4.24Å; F149-F254 AromaticContact CZ-CE1 3.6Å; F149-F254 HydrophobicContact CZ-CE1 3.6Å; F149-F254 AromaticContact CZ-CZ 3.82Å; F149-F254 HydrophobicContact CZ-CZ 3.82Å; F149-I268 HydrophobicContact CD2-CD1 3.86Å; F149-I268 HydrophobicContact CE2-CD1 3.73Å |
| 150 | F | 96.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.2 | -32.7 | -178.7 | -66.3 | -73.1 | 0 | 0 | 0 | 111.8 | C146 N154 L213 P215 V236 F250 F254 | C146-F150 HydrophobicContact CB-CD2 4.12Å; C146-F150 HydrophobicContact CB-CE2 4.21Å; C146-F150 VanDerWaalsContact O-CD2 3.24Å; C146-F150 WeakPolarHBondContact O-CD2 3.42Å; C146-F150 PolarHBondContact O-N 2.96Å; F150-N154 WeakPolarHBondContact O-CB 3.15Å; F150-N154 PolarHBondContact O-N 2.92Å; F150-N154 PolarHBondContact O-ND2 3.3Å; F150-L213 HydrophobicContact CD1-CB 3.78Å; F150-L213 HydrophobicContact CD1-CD1 4.24Å; F150-L213 HydrophobicContact CE1-CB 4.04Å; F150-L213 HydrophobicContact CE1-CD1 4.04Å; F150-P215 HydrophobicContact CB-CG 4.06Å; F150-P215 HydrophobicContact CD2-CB 3.7Å; F150-P215 HydrophobicContact CD2-CG 3.61Å; F150-P215 HydrophobicContact CE2-CB 3.84Å; F150-P215 HydrophobicContact CE2-CG 4.28Å; F150-P215 HydrophobicContact CG-CB 4.28Å; F150-P215 HydrophobicContact CG-CG 3.91Å; F150-V236 HydrophobicContact CE2-CG1 3.66Å; F150-V236 HydrophobicContact CE2-CG2 4.24Å; F150-V236 HydrophobicContact CZ-CG1 3.67Å; F150-F250 HydrophobicContact CD1-CZ 4.49Å; F150-F250 AromaticContact CE1-CE2 3.82Å; F150-F250 HydrophobicContact CE1-CE2 3.82Å; F150-F250 AromaticContact CE1-CZ 3.77Å; F150-F250 HydrophobicContact CE1-CZ 3.77Å; F150-F250 AromaticContact CZ-CE2 3.71Å; F150-F250 HydrophobicContact CZ-CE2 3.71Å; F150-F250 AromaticContact CZ-CZ 3.89Å; F150-F250 HydrophobicContact CZ-CZ 3.89Å; F150-F254 HydrophobicContact CZ-CE2 4.31Å; F150-F254 HydrophobicContact CZ-CZ 4.31Å |
| 151 | G | 95.2 | Very high | 93 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | H147 W148 S155 | H147-G151 WeakPolarHBondContact O-CA 3.27Å; H147-G151 PolarHBondContact O-N 2.92Å; W148-G151 PolarHBondContact O-N 3.48Å; G151-S155 WeakPolarHBondContact O-CB 3.22Å; G151-S155 PolarHBondContact O-N 3.15Å |
| 152 | L | 96.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 178.5 | -179 | 59.2 | 0 | 0 | 0 | 111.8 | W148 S155 D165 W167 | W148-L152 HydrophobicContact CZ2-CD2 4.2Å; W148-L152 WeakPolarHBondContact O-CB 3.37Å; W148-L152 PolarHBondContact O-N 3.12Å; L152-S155 PolarHBondContact O-N 2.61Å; L152-S155 PolarHBondContact O-OG 3.18Å; L152-D165 HydrophobicContact CD1-CB 3.64Å; L152-W167 HydrophobicContact CD2-CE3 3.98Å; L152-W167 HydrophobicContact CG-CE3 3.99Å |
| 153 | L | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -49.6 | -178.4 | -178 | 61.1 | 0 | 0 | 0 | 111.3 | F149 S155 Q156 W167 L202 V206 L213 | F149-L153 HydrophobicContact CE1-CD2 3.92Å; F149-L153 HydrophobicContact CZ-CD2 4.2Å; F149-L153 VanDerWaalsContact O-CB 3.22Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.75Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.29Å; L153-Q156 WeakPolarHBondContact O-CB 3.19Å; L153-Q156 WeakPolarHBondContact O-CG 3.33Å; L153-Q156 PolarHBondContact O-N 2.92Å; L153-Q156 VanDerWaalsContact O-N 3.1Å; L153-W167 HydrophobicContact CB-CE3 4.25Å; L153-W167 HydrophobicContact CB-CH2 4.28Å; L153-W167 HydrophobicContact CB-CZ3 3.85Å; L153-W167 HydrophobicContact CD1-CD2 4.1Å; L153-W167 HydrophobicContact CD1-CE3 4.13Å; L153-W167 HydrophobicContact CD1-CH2 3.87Å; L153-W167 HydrophobicContact CD1-CZ2 3.86Å; L153-W167 HydrophobicContact CD1-CZ3 4.02Å; L153-W167 HydrophobicContact CD2-CH2 4.45Å; L153-W167 HydrophobicContact CG-CH2 4.42Å; L153-W167 HydrophobicContact CG-CZ3 4.42Å; L153-L202 HydrophobicContact CD1-CB 4.43Å; L153-V206 HydrophobicContact CD1-CG1 4.31Å; L153-V206 HydrophobicContact CD1-CG2 3.74Å; L153-V206 HydrophobicContact CD2-CG1 4.48Å; L153-V206 HydrophobicContact CG-CG1 3.91Å; L153-V206 HydrophobicContact CG-CG2 4.19Å; L153-V206 WeakPolarHBondContact O-CG2 3.46Å; L153-L213 HydrophobicContact CD2-CD1 4.14Å |
| 154 | N | 96.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -29.9 | -179.8 | -70.3 | -36.2 | 0 | 0 | 0 | 112.5 | F150 Q156 N157 L160 F212 L213 | F150-N154 WeakPolarHBondContact O-CB 3.15Å; F150-N154 PolarHBondContact O-N 2.92Å; F150-N154 PolarHBondContact O-ND2 3.3Å; N154-Q156 PolarHBondContact O-N 3.01Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; N154-N157 WeakPolarHBondContact O-CB 3.49Å; N154-N157 PolarHBondContact O-N 2.72Å; N154-L160 HydrophobicContact CB-CD1 4.35Å; N154-F212 HydrophobicContact CB-CD2 3.73Å; N154-F212 HydrophobicContact CB-CE2 3.67Å; N154-F212 VanDerWaalsContact CG-CD2 3.49Å; N154-F212 WeakPolarHBondContact ND2-CE2 3.13Å; N154-L213 PolarHBondContact ND2-O 3.03Å; N154-L213 PolarHBondContact OD1-N 3.01Å |
| 155 | S | 95.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -18.5 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | G151 L152 L153 N157 P163 Q164 | G151-S155 WeakPolarHBondContact O-CB 3.22Å; G151-S155 PolarHBondContact O-N 3.15Å; L152-S155 PolarHBondContact O-N 2.61Å; L152-S155 PolarHBondContact O-OG 3.18Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.29Å; S155-N157 PolarHBondContact O-N 3.06Å; S155-P163 WeakPolarHBondContact O-CA 3.18Å; S155-Q164 PolarHBondContact OG-N 2.98Å |
| 156 | Q | 94.6 | Very high | 91 | Very high | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.3 | 174.7 | -56.3 | -55.4 | -49.7 | 0 | 0 | 113.1 | L153 N154 P158 D165 W167 L203 V206 K207 | L153-Q156 WeakPolarHBondContact O-CB 3.19Å; L153-Q156 WeakPolarHBondContact O-CG 3.33Å; L153-Q156 PolarHBondContact O-N 2.92Å; L153-Q156 VanDerWaalsContact O-N 3.1Å; N154-Q156 PolarHBondContact O-N 3.01Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; Q156-P158 WeakPolarHBondContact O-CD 3.2Å; Q156-D165 PolarHBondContact NE2-O 3.34Å; Q156-W167 HydrophobicContact CG-CB 3.9Å; Q156-W167 HydrophobicContact CG-CG 4.47Å; Q156-L203 HydrophobicContact CB-CD1 3.64Å; Q156-L203 HydrophobicContact CG-CD1 3.66Å; Q156-V206 HydrophobicContact CB-CG2 3.87Å; Q156-K207 HydrophobicContact CB-CG 4.18Å; Q156-K207 WeakPolarHBondContact O-CG 3.39Å |
| 157 | N | 92.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -69.9 | 121.2 | 179.4 | -172.6 | -40.2 | 0 | 0 | 0 | 110.2 | N154 S155 F159 L160 V206 F210 L211 | N154-N157 WeakPolarHBondContact O-CB 3.49Å; N154-N157 PolarHBondContact O-N 2.72Å; S155-N157 PolarHBondContact O-N 3.06Å; N157-F159 PolarHBondContact O-N 2.92Å; N157-F159 PolarHBondContact OD1-N 3.35Å; N157-L160 HydrophobicContact CB-CD1 4.15Å; N157-L160 HydrophobicContact CB-CG 4.23Å; N157-L160 PolarHBondContact O-N 3.46Å; N157-V206 HydrophobicContact CB-CB 4.4Å; N157-F210 PolarHBondContact ND2-O 3.34Å; N157-L211 PolarHBondContact ND2-O 2.88Å |
| 158 | P | 91.5 | Very high | 90.7 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -57.2 | -22.1 | -177 | -28.1 | 36.6 | 0 | 0 | 0 | 115.2 | Q156 F210 | Q156-P158 WeakPolarHBondContact O-CD 3.2Å; P158-F210 HydrophobicContact CG-CD1 4.49Å; P158-F210 HydrophobicContact CG-CE1 4.1Å |
| 159 | F | 88.6 | Confident | 90.4 | Very high | 146 Ų | 146 | 53.7 Ų | 53.7 | 64% | 0.64 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -82.3 | -9.6 | 178.9 | -61.7 | -50.3 | 0 | 0 | 0 | 114.3 | N157 F210 | N157-F159 PolarHBondContact O-N 2.92Å; N157-F159 PolarHBondContact OD1-N 3.35Å; F159-F210 HydrophobicContact CD2-CB 4.02Å; F159-F210 AromaticContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CG 4.15Å; F159-F210 HydrophobicContact CE2-CB 3.69Å; F159-F210 AromaticContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD1 3.4Å; F159-F210 VanDerWaalsContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD2 4.2Å; F159-F210 HydrophobicContact CE2-CE1 4.05Å; F159-F210 AromaticContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CE2-CG 3.49Å; F159-F210 VanDerWaalsContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CZ-CD1 4.07Å; F159-F210 HydrophobicContact CZ-CE1 4.26Å; F159-F210 HydrophobicContact CZ-CG 4.32Å |
| 160 | L | 84.8 | Confident | 90 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 52% | 0.518 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -101.9 | 5.5 | -177.2 | -63.4 | -177.8 | 0 | 0 | 0 | 114.2 | N154 N157 F212 | N154-L160 HydrophobicContact CB-CD1 4.35Å; N157-L160 HydrophobicContact CB-CD1 4.15Å; N157-L160 HydrophobicContact CB-CG 4.23Å; N157-L160 PolarHBondContact O-N 3.46Å; L160-F212 HydrophobicContact CD1-CD2 3.47Å; L160-F212 VanDerWaalsContact CD1-CD2 3.47Å; L160-F212 HydrophobicContact CD1-CE2 3.63Å |
| 161 | G | 82.5 | Confident | 89.7 | Confident | 38 Ų | 38 | 59 Ų | 59 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | 98.1 | -164.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 162 | P | 82.1 | Confident | 89.5 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.8 | 148.4 | -179.1 | 28.4 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 163 | P | 83.5 | Confident | 89 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | trans | -56.8 | 141.7 | 176 | -24.3 | 34.1 | 0 | 0 | 0 | 112.4 | S155 | S155-P163 WeakPolarHBondContact O-CA 3.18Š| ||
| 164 | Q | 78.1 | Confident | 87.9 | Confident | 164 Ų | 164 | 65 Ų | 65 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -74.8 | -34.8 | 176.6 | -72.2 | -172.4 | -10 | 0 | 0 | 112.2 | S155 | S155-Q164 PolarHBondContact OG-N 2.98Š|
| 165 | D | 86.9 | Confident | 87 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -158.3 | 177.1 | 179.3 | -153.2 | -18 | 0 | 0 | 0 | 110.2 | L152 Q156 | L152-D165 HydrophobicContact CD1-CB 3.64Å; Q156-D165 PolarHBondContact NE2-O 3.34Å |
| 166 | E | 88.1 | Confident | 86.7 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | trans | -77.4 | 121.5 | 179.8 | -170 | 176.6 | -173.1 | 0 | 0 | 112.3 | H171 | E166-H171 PolarHBondContact O-NE2 3Å; E166-H171 VanDerWaalsContact O-NE2 3.17Å | ||
| 167 | W | 93.1 | Very high | 86.3 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | trans | -88.3 | 131.8 | 167.4 | 177.3 | -89 | 0 | 0 | 0 | 110.7 | F149 L152 L153 Q156 F172 S199 L202 L203 | F149-W167 HydrophobicContact CD2-CH2 4.26Å; F149-W167 HydrophobicContact CD2-CZ3 4.31Å; F149-W167 AromaticContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CZ3 4.04Å; F149-W167 AromaticContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CZ3 4.48Å; L152-W167 HydrophobicContact CD2-CE3 3.98Å; L152-W167 HydrophobicContact CG-CE3 3.99Å; L153-W167 HydrophobicContact CB-CE3 4.25Å; L153-W167 HydrophobicContact CB-CH2 4.28Å; L153-W167 HydrophobicContact CB-CZ3 3.85Å; L153-W167 HydrophobicContact CD1-CD2 4.1Å; L153-W167 HydrophobicContact CD1-CE3 4.13Å; L153-W167 HydrophobicContact CD1-CH2 3.87Å; L153-W167 HydrophobicContact CD1-CZ2 3.86Å; L153-W167 HydrophobicContact CD1-CZ3 4.02Å; L153-W167 HydrophobicContact CD2-CH2 4.45Å; L153-W167 HydrophobicContact CG-CH2 4.42Å; L153-W167 HydrophobicContact CG-CZ3 4.42Å; Q156-W167 HydrophobicContact CG-CB 3.9Å; Q156-W167 HydrophobicContact CG-CG 4.47Å; W167-F172 HydrophobicContact CH2-CE2 4.46Å; W167-F172 AromaticContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CZ2-CE2 4.03Å; W167-F172 AromaticContact CZ2-CZ 3.59Å; W167-F172 HydrophobicContact CZ2-CZ 3.59Å; W167-S199 PolarHBondContact NE1-O 3.32Å; W167-S199 PolarHBondContact NE1-OG 3.45Å; W167-L202 HydrophobicContact CH2-CB 4.47Å; W167-L202 HydrophobicContact CH2-CD1 4.24Å; W167-L202 HydrophobicContact CZ2-CB 3.76Å; W167-L202 HydrophobicContact CZ2-CD1 3.94Å; W167-L203 HydrophobicContact CB-CD1 4.42Å; W167-L203 HydrophobicContact CG-CD1 4.12Å | ||
| 168 | G | 91.2 | Very high | 86.2 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -172.2 | -177.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q170 H171 F172 S199 | G168-Q170 PolarHBondContact O-N 3.3Å; G168-Q170 PolarHBondContact O-OE1 3.3Å; G168-H171 PolarHBondContact O-CD2 2.82Å; G168-F172 WeakPolarHBondContact O-CE2 3.4Å; G168-S199 WeakPolarHBondContact CA-OG 3.41Å |
| 169 | P | 88.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -64.7 | -17.8 | -176.1 | 27.4 | -35 | 0 | 0 | 0 | 114.2 | H171 F172 A195 E196 | P169-H171 PolarHBondContact O-N 3.43Å; P169-H171 VanDerWaalsContact O-N 3.1Å; P169-F172 PolarHBondContact O-N 3.44Å; P169-A195 HydrophobicContact CB-CB 3.76Å; P169-E196 HydrophobicContact CB-CG 4.39Å |
| 170 | Q | 87.3 | Confident | 86.2 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -58.2 | -25.8 | -178.3 | 67.3 | -82.5 | 18 | 0 | 0 | 114.1 | G168 F172 K267 | G168-Q170 PolarHBondContact O-N 3.3Å; G168-Q170 PolarHBondContact O-OE1 3.3Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.34Å; Q170-K267 VanDerWaalsContact O-CE 3.31Å; Q170-K267 WeakPolarHBondContact O-CE 3.42Å; Q170-K267 PolarHBondContact O-NZ 3.27Å; Q170-K267 VanDerWaalsContact O-NZ 3.12Å |
| 171 | H | 90.8 | Very high | 86.4 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -75.8 | -13.6 | -179.2 | -56.1 | -40.7 | 0 | 0 | 0 | 113.4 | W148 E166 G168 P169 I268 | W148-H171 HydrophobicContact CH2-CB 4.07Å; W148-H171 HydrophobicContact CZ2-CB 4.42Å; W148-H171 AromaticContact CZ2-CG 3.98Å; W148-H171 AromaticContact CZ2-ND1 3.72Å; E166-H171 PolarHBondContact O-NE2 3Å; E166-H171 VanDerWaalsContact O-NE2 3.17Å; G168-H171 PolarHBondContact O-CD2 2.82Å; P169-H171 PolarHBondContact O-N 3.43Å; P169-H171 VanDerWaalsContact O-N 3.1Å; H171-I268 PolarHBondContact O-N 3.15Å |
| 172 | F | 90.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 158.6 | -174.8 | -50.3 | -88.2 | 0 | 0 | 0 | 111.3 | W167 G168 P169 Q170 V176 A195 V198 L202 I268 I271 | W167-F172 HydrophobicContact CH2-CE2 4.46Å; W167-F172 AromaticContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CZ2-CE2 4.03Å; W167-F172 AromaticContact CZ2-CZ 3.59Å; W167-F172 HydrophobicContact CZ2-CZ 3.59Å; G168-F172 WeakPolarHBondContact O-CE2 3.4Å; P169-F172 PolarHBondContact O-N 3.44Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.34Å; F172-V176 HydrophobicContact CB-CB 4.06Å; F172-V176 HydrophobicContact CB-CG1 3.74Å; F172-V176 HydrophobicContact CB-CG2 4.42Å; F172-V176 HydrophobicContact CD1-CG1 4.4Å; F172-V176 HydrophobicContact CD1-CG2 4.11Å; F172-V176 HydrophobicContact CG-CG1 4.25Å; F172-A195 HydrophobicContact CB-CB 4.01Å; F172-V198 HydrophobicContact CD1-CG1 4.19Å; F172-V198 HydrophobicContact CE1-CG1 4.11Å; F172-L202 HydrophobicContact CE1-CD1 3.92Å; F172-L202 HydrophobicContact CZ-CD1 3.83Å; F172-I268 HydrophobicContact CD1-CB 3.71Å; F172-I268 HydrophobicContact CD1-CD1 3.89Å; F172-I268 HydrophobicContact CD1-CG1 4.39Å; F172-I268 HydrophobicContact CD1-CG2 3.93Å; F172-I268 HydrophobicContact CE1-CB 4.25Å; F172-I268 HydrophobicContact CE1-CD1 3.59Å; F172-I268 HydrophobicContact CE1-CG2 4.31Å; F172-I268 HydrophobicContact CZ-CD1 4.34Å; F172-I271 HydrophobicContact CD1-CD1 4.22Å; F172-I271 HydrophobicContact CE1-CD1 3.72Å |
| 173 | W | 86.6 | Confident | 86.2 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 20% | 0.197 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 147.3 | 160 | -73.7 | 101.5 | 0 | 0 | 0 | 109.8 | D175 V176 I257 K267 I268 K269 | W173-D175 PolarHBondContact O-N 3.05Å; W173-D175 VanDerWaalsContact O-N 3.12Å; W173-V176 VanDerWaalsContact O-CB 3.27Å; W173-V176 WeakPolarHBondContact O-CB 3.27Å; W173-V176 VanDerWaalsContact O-CG1 3.29Å; W173-V176 WeakPolarHBondContact O-CG1 3.42Å; W173-V176 PolarHBondContact O-N 3.26Å; W173-I257 HydrophobicContact CZ2-CB 4.45Å; W173-I257 HydrophobicContact CZ2-CG2 4.21Å; W173-K267 HydrophobicContact CD2-CB 4.28Å; W173-K267 HydrophobicContact CD2-CD 4.49Å; W173-K267 HydrophobicContact CG-CB 4.21Å; W173-K267 HydrophobicContact CZ2-CB 4.37Å; W173-K267 PolarHBondContact NE1-O 3.38Å; W173-I268 PolarHBondContact N-O 2.97Å; W173-K269 HydrophobicContact CB-CD 4.15Å; W173-K269 HydrophobicContact CG-CD 4.15Å |
| 174 | H | 73.1 | Confident | 85.2 | Confident | 110 Ų | 110 | 61 Ų | 61 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -30.1 | -176.4 | 62.9 | 72.4 | 0 | 0 | 0 | 113 | G194 A195 | H174-G194 WeakPolarHBondContact O-CA 3.28Å; H174-A195 PolarHBondContact O-N 3.4Å |
| 175 | D | 76.4 | Confident | 84.4 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 23.8 | 179.3 | 68.8 | -25.3 | 0 | 0 | 0 | 112.7 | W173 K269 | W173-D175 PolarHBondContact O-N 3.05Å; W173-D175 VanDerWaalsContact O-N 3.12Å; D175-K269 IonicContact OD1-NZ 3.92Å; D175-K269 PolarHBondContact OD1-NZ 3.47Å; D175-K269 IonicContact OD2-NZ 2.92Å; D175-K269 PolarHBondContact OD2-NZ 3.28Å |
| 176 | V | 89.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 142.1 | 175.1 | 64 | 0 | 0 | 0 | 0 | 111 | F172 W173 G194 A195 V198 I268 K269 | F172-V176 HydrophobicContact CB-CB 4.06Å; F172-V176 HydrophobicContact CB-CG1 3.74Å; F172-V176 HydrophobicContact CB-CG2 4.42Å; F172-V176 HydrophobicContact CD1-CG1 4.4Å; F172-V176 HydrophobicContact CD1-CG2 4.11Å; F172-V176 HydrophobicContact CG-CG1 4.25Å; W173-V176 VanDerWaalsContact O-CB 3.27Å; W173-V176 WeakPolarHBondContact O-CB 3.27Å; W173-V176 VanDerWaalsContact O-CG1 3.29Å; W173-V176 WeakPolarHBondContact O-CG1 3.42Å; W173-V176 PolarHBondContact O-N 3.26Å; V176-G194 PolarHBondContact O-N 2.7Å; V176-A195 HydrophobicContact CG1-CB 4.28Å; V176-V198 HydrophobicContact CG1-CB 3.83Å; V176-V198 HydrophobicContact CG1-CG1 4.15Å; V176-V198 HydrophobicContact CG1-CG2 3.81Å; V176-V198 HydrophobicContact CG2-CG1 4.27Å; V176-I268 HydrophobicContact CG2-CG2 4.27Å; V176-K269 WeakPolarHBondContact CA-O 3.37Å |
| 177 | K | 85.4 | Confident | 82.7 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.2 | 173.6 | -56.4 | -173.8 | 179.4 | 175.5 | 0 | 109.4 | Y192 K269 F270 I271 C308 | K177-Y192 WeakPolarHBondContact CA-O 3.13Å; K177-K269 PolarHBondContact N-O 2.9Å; K177-F270 CarbonylContact O-C 3.57Å; K177-F270 VanDerWaalsContact O-CA 3.27Å; K177-F270 WeakPolarHBondContact O-CA 3.5Å; K177-I271 PolarHBondContact O-N 3.07Å; K177-C308 VanDerWaalsContact NZ-CB 3.32Å; K177-C308 PolarHBondContact NZ-SG 2.72Å |
| 178 | L | 92.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.1 | 168.5 | 165.2 | 65.8 | 0 | 0 | 0 | 108.4 | F180 D191 Y192 V198 R201 L202 I271 L273 | L178-F180 HydrophobicContact CG-CB 4.44Å; L178-D191 CarbonylContact O-C 3.57Å; L178-D191 WeakPolarHBondContact O-CA 3.38Å; L178-Y192 HydrophobicContact CD2-CD2 3.89Å; L178-Y192 HydrophobicContact CD2-CG 4.47Å; L178-Y192 HydrophobicContact CG-CD2 4.11Å; L178-Y192 PolarHBondContact N-O 2.87Å; L178-Y192 PolarHBondContact O-N 3.02Å; L178-V198 HydrophobicContact CB-CB 4.35Å; L178-V198 HydrophobicContact CB-CG1 3.87Å; L178-V198 HydrophobicContact CB-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; L178-R201 HydrophobicContact CD2-CB 4.39Å; L178-R201 HydrophobicContact CD2-CG 4.24Å; L178-L202 HydrophobicContact CD2-CD2 4.33Å; L178-L202 HydrophobicContact CD2-CG 4.27Å; L178-I271 CarbonylContact C-O 3.59Å; L178-I271 VanDerWaalsContact CA-O 3.29Å; L178-I271 WeakPolarHBondContact CA-O 3.36Å; L178-I271 HydrophobicContact CB-CB 4.45Å; L178-I271 HydrophobicContact CD1-CB 3.74Å; L178-I271 HydrophobicContact CD1-CG2 3.64Å; L178-L273 HydrophobicContact CD1-CB 4.02Å |
| 179 | R | 88.3 | Confident | 82.1 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.2 | 164.9 | -172.9 | 167.9 | -68.8 | 170.1 | -6.6 | 109.4 | Y181 V189 D191 I271 N272 L273 | R179-Y181 HydrophobicContact CB-CE2 4.23Å; R179-Y181 WeakPolarHBondContact CD-OH 3.27Å; R179-Y181 HydrophobicContact CG-CD2 4.12Å; R179-Y181 HydrophobicContact CG-CE2 3.45Å; R179-Y181 VanDerWaalsContact CG-CE2 3.45Å; R179-V189 HydrophobicContact CG-CG1 3.86Å; R179-D191 VanDerWaalsContact CB-OD1 3.27Å; R179-D191 WeakPolarHBondContact CB-OD1 3.33Å; R179-D191 WeakPolarHBondContact CG-OD1 3.45Å; R179-D191 IonicContact CZ-OD1 3.58Å; R179-D191 IonicContact NE-OD1 2.98Å; R179-D191 PolarHBondContact NE-OD1 3.34Å; R179-D191 IonicContact NE-OD2 2.85Å; R179-D191 IonicContact NH2-OD1 3.63Å; R179-D191 IonicContact NH2-OD2 3.03Å; R179-I271 PolarHBondContact N-O 3.45Å; R179-N272 WeakPolarHBondContact CB-OD1 3.37Å; R179-N272 CarbonylContact O-C 3.54Å; R179-N272 WeakPolarHBondContact O-CA 3.35Å; R179-L273 PolarHBondContact O-N 3.38Å |
| 180 | F | 90.5 | Very high | 82 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.7 | -176.6 | -176.2 | -145 | 0 | 0 | 0 | 110.9 | L178 Y182 V189 T190 Y192 L205 L273 I275 | L178-F180 HydrophobicContact CG-CB 4.44Å; F180-Y182 AromaticContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CE1 4.45Å; F180-Y182 AromaticContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CE1 4.43Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 HydrophobicContact CG-CD1 4.46Å; F180-Y182 HydrophobicContact CZ-CD1 4.15Å; F180-Y182 HydrophobicContact CZ-CG 4.34Å; F180-V189 CarbonylContact O-C 3.59Å; F180-V189 WeakPolarHBondContact O-CA 3.47Å; F180-T190 PolarHBondContact N-O 3.36Å; F180-T190 PolarHBondContact O-N 3.25Å; F180-Y192 HydrophobicContact CB-CE2 4.16Å; F180-L205 HydrophobicContact CE1-CD2 4.3Å; F180-L205 HydrophobicContact CZ-CD2 4.11Å; F180-L273 CarbonylContact C-O 3.57Å; F180-L273 WeakPolarHBondContact CA-O 3.37Å; F180-L273 HydrophobicContact CD2-CB 4Å; F180-L273 HydrophobicContact CD2-CD2 3.76Å; F180-L273 HydrophobicContact CD2-CG 3.74Å; F180-L273 HydrophobicContact CE2-CD2 3.74Å; F180-L273 HydrophobicContact CE2-CG 3.87Å; F180-I275 HydrophobicContact CE2-CB 4.31Å; F180-I275 HydrophobicContact CE2-CD1 3.77Å; F180-I275 HydrophobicContact CE2-CG1 3.95Å; F180-I275 HydrophobicContact CZ-CD1 4.01Å |
| 181 | Y | 88.8 | Confident | 81.9 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.2 | 174 | -57.8 | -97.6 | 0 | 0 | 0 | 109.2 | R179 N188 V189 L273 K274 I275 | R179-Y181 HydrophobicContact CB-CE2 4.23Å; R179-Y181 WeakPolarHBondContact CD-OH 3.27Å; R179-Y181 HydrophobicContact CG-CD2 4.12Å; R179-Y181 HydrophobicContact CG-CE2 3.45Å; R179-Y181 VanDerWaalsContact CG-CE2 3.45Å; Y181-N188 WeakPolarHBondContact CA-O 3.33Å; Y181-V189 HydrophobicContact CD1-CB 4.31Å; Y181-V189 HydrophobicContact CD1-CG1 4.03Å; Y181-V189 HydrophobicContact CD1-CG2 3.48Å; Y181-V189 VanDerWaalsContact CD1-CG2 3.48Å; Y181-V189 HydrophobicContact CE1-CB 4.41Å; Y181-V189 HydrophobicContact CE1-CG1 3.83Å; Y181-V189 HydrophobicContact CE1-CG2 3.64Å; Y181-V189 HydrophobicContact CG-CG2 4.48Å; Y181-L273 PolarHBondContact N-O 2.86Å; Y181-K274 HydrophobicContact CD2-CB 4.48Å; Y181-K274 CarbonylContact O-C 3.58Å; Y181-K274 VanDerWaalsContact O-CA 3.3Å; Y181-K274 WeakPolarHBondContact O-CA 3.28Å; Y181-I275 PolarHBondContact O-N 3.39Å |
| 182 | Y | 85 | Confident | 81.6 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 30% | 0.302 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 141.7 | 174.4 | 63.5 | -85.5 | 0 | 0 | 0 | 112.1 | F180 T184 N188 I275 | F180-Y182 AromaticContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CE1 4.45Å; F180-Y182 AromaticContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CE1 4.43Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 HydrophobicContact CG-CD1 4.46Å; F180-Y182 HydrophobicContact CZ-CD1 4.15Å; F180-Y182 HydrophobicContact CZ-CG 4.34Å; Y182-T184 HydrophobicContact CD2-CG2 4.31Å; Y182-N188 HydrophobicContact CD1-CB 4.06Å; Y182-N188 HydrophobicContact CD2-CB 4.01Å; Y182-N188 HydrophobicContact CE1-CB 3.6Å; Y182-N188 HydrophobicContact CE2-CB 3.55Å; Y182-N188 HydrophobicContact CG-CB 4.24Å; Y182-N188 PolarHBondContact N-O 2.94Å; Y182-N188 VanDerWaalsContact N-O 3.08Å; Y182-N188 PolarHBondContact O-N 2.77Å; Y182-I275 WeakPolarHBondContact CA-O 3.31Å |
| 183 | N | 75.3 | Confident | 81.4 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 107.6 | 179.6 | -73 | 23.6 | 0 | 0 | 0 | 109.8 | I275 G277 | N183-I275 PolarHBondContact N-O 3.24Å; N183-I275 VanDerWaalsContact N-O 3.13Å; N183-G277 PolarHBondContact O-N 3.28Å |
| 184 | T | 62.7 | Low | 81.1 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -102.4 | -38.2 | 168.8 | 51.4 | 0 | 0 | 0 | 0 | 111 | Y182 | Y182-T184 HydrophobicContact CD2-CG2 4.31Š|
| 185 | S | 61.8 | Low | 81.6 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 79% | 0.79 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -156.4 | -38 | 174 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 186 | E | 64.8 | Low | 82 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -113.9 | 156.5 | 172.7 | -64.3 | 177.5 | -172.8 | 0 | 0 | 110.7 | N188 | E186-N188 PolarHBondContact O-N 3.16Å; E186-N188 PolarHBondContact O-ND2 2.94Å |
| 187 | Q | 75 | Confident | 81.9 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 104.8 | 177.6 | -175.5 | 169.7 | -17.8 | 0 | 0 | 109.9 | ||
| 188 | N | 83.1 | Confident | 82.2 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 145.2 | 179.4 | -70.5 | -86.6 | 0 | 0 | 0 | 111 | Y181 Y182 E186 | Y181-N188 WeakPolarHBondContact CA-O 3.33Å; Y182-N188 HydrophobicContact CD1-CB 4.06Å; Y182-N188 HydrophobicContact CD2-CB 4.01Å; Y182-N188 HydrophobicContact CE1-CB 3.6Å; Y182-N188 HydrophobicContact CE2-CB 3.55Å; Y182-N188 HydrophobicContact CG-CB 4.24Å; Y182-N188 PolarHBondContact N-O 2.94Å; Y182-N188 VanDerWaalsContact N-O 3.08Å; Y182-N188 PolarHBondContact O-N 2.77Å; E186-N188 PolarHBondContact O-N 3.16Å; E186-N188 PolarHBondContact O-ND2 2.94Å |
| 189 | V | 87.4 | Confident | 82.4 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.2 | 175.9 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | R179 F180 Y181 | R179-V189 HydrophobicContact CG-CG1 3.86Å; F180-V189 CarbonylContact O-C 3.59Å; F180-V189 WeakPolarHBondContact O-CA 3.47Å; Y181-V189 HydrophobicContact CD1-CB 4.31Å; Y181-V189 HydrophobicContact CD1-CG1 4.03Å; Y181-V189 HydrophobicContact CD1-CG2 3.48Å; Y181-V189 VanDerWaalsContact CD1-CG2 3.48Å; Y181-V189 HydrophobicContact CE1-CB 4.41Å; Y181-V189 HydrophobicContact CE1-CG1 3.83Å; Y181-V189 HydrophobicContact CE1-CG2 3.64Å; Y181-V189 HydrophobicContact CG-CG2 4.48Å |
| 190 | T | 86.9 | Confident | 82.6 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131 | 175 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | F180 Y192 | F180-T190 PolarHBondContact N-O 3.36Å; F180-T190 PolarHBondContact O-N 3.25Å; T190-Y192 HydrophobicContact CG2-CD2 4.32Å; T190-Y192 HydrophobicContact CG2-CE1 4.26Å; T190-Y192 HydrophobicContact CG2-CE2 3.61Å |
| 191 | D | 84.8 | Confident | 82.9 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.6 | 175.4 | -73.8 | -45.2 | 0 | 0 | 0 | 109.9 | L178 R179 | L178-D191 CarbonylContact O-C 3.57Å; L178-D191 WeakPolarHBondContact O-CA 3.38Å; R179-D191 VanDerWaalsContact CB-OD1 3.27Å; R179-D191 WeakPolarHBondContact CB-OD1 3.33Å; R179-D191 WeakPolarHBondContact CG-OD1 3.45Å; R179-D191 IonicContact CZ-OD1 3.58Å; R179-D191 IonicContact NE-OD1 2.98Å; R179-D191 PolarHBondContact NE-OD1 3.34Å; R179-D191 IonicContact NE-OD2 2.85Å; R179-D191 IonicContact NH2-OD1 3.63Å; R179-D191 IonicContact NH2-OD2 3.03Å |
| 192 | Y | 85.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.5 | 173.8 | -57.6 | -92.7 | 0 | 0 | 0 | 109.3 | K177 L178 F180 T190 I197 R201 | K177-Y192 WeakPolarHBondContact CA-O 3.13Å; L178-Y192 HydrophobicContact CD2-CD2 3.89Å; L178-Y192 HydrophobicContact CD2-CG 4.47Å; L178-Y192 HydrophobicContact CG-CD2 4.11Å; L178-Y192 PolarHBondContact N-O 2.87Å; L178-Y192 PolarHBondContact O-N 3.02Å; F180-Y192 HydrophobicContact CB-CE2 4.16Å; T190-Y192 HydrophobicContact CG2-CD2 4.32Å; T190-Y192 HydrophobicContact CG2-CE1 4.26Å; T190-Y192 HydrophobicContact CG2-CE2 3.61Å; Y192-I197 HydrophobicContact CD1-CG2 3.73Å; Y192-I197 HydrophobicContact CG-CG2 4.4Å; Y192-R201 HydrophobicContact CD1-CB 4.24Å; Y192-R201 HydrophobicContact CD1-CG 4.32Å; Y192-R201 HydrophobicContact CD2-CG 4.16Å; Y192-R201 HydrophobicContact CE1-CB 4.18Å; Y192-R201 HydrophobicContact CE1-CG 3.89Å; Y192-R201 HydrophobicContact CE2-CG 3.72Å; Y192-R201 HydrophobicContact CG-CB 4.45Å; Y192-R201 HydrophobicContact CG-CG 4.44Å; Y192-R201 WeakPolarHBondContact OH-CD 3.33Å; Y192-R201 PolarHBondContact OH-NE 2.99Å |
| 193 | H | 85.8 | Confident | 83.8 | Confident | 108 Ų | 108 | 63 Ų | 63 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.7 | -174.8 | -60.7 | -74.6 | 0 | 0 | 0 | 110.5 | ||
| 194 | G | 80.1 | Confident | 84.7 | Confident | 16 Ų | 16 | 62 Ų | 62 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 97 | 143.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | H174 V176 E196 I197 V198 | H174-G194 WeakPolarHBondContact O-CA 3.28Å; V176-G194 PolarHBondContact O-N 2.7Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.15Å; G194-I197 PolarHBondContact O-N 3.14Å; G194-V198 WeakPolarHBondContact O-CB 3.48Å; G194-V198 VanDerWaalsContact O-CG2 3.28Å; G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 3.1Å |
| 195 | A | 83.1 | Confident | 86.3 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | P169 F172 H174 V176 S199 | P169-A195 HydrophobicContact CB-CB 3.76Å; F172-A195 HydrophobicContact CB-CB 4.01Å; H174-A195 PolarHBondContact O-N 3.4Å; V176-A195 HydrophobicContact CG1-CB 4.28Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 2.82Å |
| 196 | E | 86.4 | Confident | 87.9 | Confident | 113 Ų | 113 | 52 Ų | 52 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.8 | -52.2 | -179.1 | -63.7 | 73 | -161.8 | 0 | 0 | 111 | P169 G194 S199 L200 | P169-E196 HydrophobicContact CB-CG 4.39Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.15Å; E196-S199 PolarHBondContact O-N 2.96Å; E196-L200 WeakPolarHBondContact O-CB 3.41Å; E196-L200 VanDerWaalsContact O-CG 3.28Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.18Å |
| 197 | I | 86.1 | Confident | 89.1 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 46% | 0.462 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -42.1 | -176.8 | -56.1 | -58.1 | 0 | 0 | 0 | 110.9 | Y192 G194 L200 R201 | Y192-I197 HydrophobicContact CD1-CG2 3.73Å; Y192-I197 HydrophobicContact CG-CG2 4.4Å; G194-I197 PolarHBondContact O-N 3.14Å; I197-L200 PolarHBondContact O-N 2.95Å; I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 3.2Å |
| 198 | V | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | F172 V176 L178 G194 R201 L202 I271 | F172-V198 HydrophobicContact CD1-CG1 4.19Å; F172-V198 HydrophobicContact CE1-CG1 4.11Å; V176-V198 HydrophobicContact CG1-CB 3.83Å; V176-V198 HydrophobicContact CG1-CG1 4.15Å; V176-V198 HydrophobicContact CG1-CG2 3.81Å; V176-V198 HydrophobicContact CG2-CG1 4.27Å; L178-V198 HydrophobicContact CB-CB 4.35Å; L178-V198 HydrophobicContact CB-CG1 3.87Å; L178-V198 HydrophobicContact CB-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; G194-V198 WeakPolarHBondContact O-CB 3.48Å; G194-V198 VanDerWaalsContact O-CG2 3.28Å; G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 3.1Å; V198-R201 PolarHBondContact O-N 3.05Å; V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.3Å; V198-I271 HydrophobicContact CG1-CD1 3.91Å |
| 199 | S | 95 | Very high | 90.4 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 176.4 | 175 | 0 | 0 | 0 | 0 | 111.6 | W167 G168 A195 E196 R201 L202 L203 | W167-S199 PolarHBondContact NE1-O 3.32Å; W167-S199 PolarHBondContact NE1-OG 3.45Å; G168-S199 WeakPolarHBondContact CA-OG 3.41Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 2.82Å; E196-S199 PolarHBondContact O-N 2.96Å; S199-R201 PolarHBondContact O-N 3.28Å; S199-L202 PolarHBondContact O-N 3.03Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.08Å |
| 200 | L | 93.1 | Very high | 90.7 | Very high | 108 Ų | 108 | 50.2 Ų | 50.2 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63 | -41.5 | 179.4 | -74.2 | 171.9 | 0 | 0 | 0 | 111.9 | E196 I197 L203 S204 | E196-L200 WeakPolarHBondContact O-CB 3.41Å; E196-L200 VanDerWaalsContact O-CG 3.28Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.18Å; I197-L200 PolarHBondContact O-N 2.95Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 3.46Å; L200-S204 PolarHBondContact O-N 3.31Å |
| 201 | R | 96.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -46 | 179.6 | -177.5 | 62.8 | -165.4 | 141.7 | 4.4 | 111.6 | L178 Y192 I197 V198 S199 L203 S204 L205 E209 | L178-R201 HydrophobicContact CD2-CB 4.39Å; L178-R201 HydrophobicContact CD2-CG 4.24Å; Y192-R201 HydrophobicContact CD1-CB 4.24Å; Y192-R201 HydrophobicContact CD1-CG 4.32Å; Y192-R201 HydrophobicContact CD2-CG 4.16Å; Y192-R201 HydrophobicContact CE1-CB 4.18Å; Y192-R201 HydrophobicContact CE1-CG 3.89Å; Y192-R201 HydrophobicContact CE2-CG 3.72Å; Y192-R201 HydrophobicContact CG-CB 4.45Å; Y192-R201 HydrophobicContact CG-CG 4.44Å; Y192-R201 WeakPolarHBondContact OH-CD 3.33Å; Y192-R201 PolarHBondContact OH-NE 2.99Å; I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 3.2Å; V198-R201 PolarHBondContact O-N 3.05Å; S199-R201 PolarHBondContact O-N 3.28Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.17Å; R201-S204 PolarHBondContact NH1-OG 3.11Å; R201-S204 PolarHBondContact O-N 3Å; R201-S204 PolarHBondContact O-OG 3.02Å; R201-L205 PolarHBondContact O-N 3.36Å; R201-E209 IonicContact CZ-OE1 3.53Å; R201-E209 IonicContact NH1-OE1 2.77Å; R201-E209 PolarHBondContact NH1-OE1 2.81Å; R201-E209 IonicContact NH2-OE1 2.7Å; R201-E209 PolarHBondContact NH2-OE1 3.31Å; R201-E209 IonicContact NH2-OE2 2.7Å |
| 202 | L | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 174.8 | -71.5 | 169.4 | 0 | 0 | 0 | 111.5 | F149 L153 W167 F172 L178 V198 S199 S204 L205 I271 L273 | F149-L202 HydrophobicContact CZ-CD1 4.15Å; L153-L202 HydrophobicContact CD1-CB 4.43Å; W167-L202 HydrophobicContact CH2-CB 4.47Å; W167-L202 HydrophobicContact CH2-CD1 4.24Å; W167-L202 HydrophobicContact CZ2-CB 3.76Å; W167-L202 HydrophobicContact CZ2-CD1 3.94Å; F172-L202 HydrophobicContact CE1-CD1 3.92Å; F172-L202 HydrophobicContact CZ-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4.33Å; L178-L202 HydrophobicContact CD2-CG 4.27Å; V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.3Å; S199-L202 PolarHBondContact O-N 3.03Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.33Å; L202-L205 HydrophobicContact CD2-CD1 4.3Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.45Å; L202-I271 HydrophobicContact CD1-CD1 3.69Å; L202-L273 HydrophobicContact CD2-CD2 4.29Å |
| 203 | L | 96.2 | Very high | 92.1 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.7 | -173.8 | 61.7 | 0 | 0 | 0 | 112.3 | Q156 W167 S199 L200 R201 L205 V206 K207 | Q156-L203 HydrophobicContact CB-CD1 3.64Å; Q156-L203 HydrophobicContact CG-CD1 3.66Å; W167-L203 HydrophobicContact CB-CD1 4.42Å; W167-L203 HydrophobicContact CG-CD1 4.12Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.08Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 3.46Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.17Å; L203-L205 PolarHBondContact O-N 2.69Å; L203-V206 HydrophobicContact CD1-CG2 4.22Å; L203-V206 WeakPolarHBondContact O-CG2 3.32Å; L203-V206 PolarHBondContact O-N 3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; L203-K207 HydrophobicContact CD1-CD 3.7Å; L203-K207 HydrophobicContact CD1-CG 3.9Å; L203-K207 HydrophobicContact CD2-CD 4.07Å; L203-K207 HydrophobicContact CG-CD 3.81Å; L203-K207 HydrophobicContact CG-CG 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.08Å |
| 204 | S | 95 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -30.9 | 178.6 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | L200 R201 L202 V206 E208 E209 | L200-S204 PolarHBondContact O-N 3.31Å; R201-S204 PolarHBondContact NH1-OG 3.11Å; R201-S204 PolarHBondContact O-N 3Å; R201-S204 PolarHBondContact O-OG 3.02Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.33Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 3.2Å; S204-E208 WeakPolarHBondContact O-CA 3.27Å; S204-E208 WeakPolarHBondContact O-CB 3.03Å; S204-E208 PolarHBondContact O-N 2.9Å; S204-E209 PolarHBondContact O-N 3.47Å |
| 205 | L | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -38.3 | 176.2 | -62.1 | 175.3 | 0 | 0 | 0 | 111.9 | F180 R201 L202 L203 E209 F210 L211 L273 | F180-L205 HydrophobicContact CE1-CD2 4.3Å; F180-L205 HydrophobicContact CZ-CD2 4.11Å; R201-L205 PolarHBondContact O-N 3.36Å; L202-L205 HydrophobicContact CD2-CD1 4.3Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.45Å; L203-L205 PolarHBondContact O-N 2.69Å; L205-E209 WeakPolarHBondContact CD2-OE2 3.28Å; L205-E209 CarbonylContact O-C 3.53Å; L205-E209 WeakPolarHBondContact O-CB 3.47Å; L205-F210 PolarHBondContact O-N 3.37Å; L205-L211 HydrophobicContact CB-CD1 4.31Å; L205-L211 HydrophobicContact CD2-CD1 4.25Å; L205-L211 WeakPolarHBondContact O-CB 3.14Å; L205-L211 VanDerWaalsContact O-CG 3.3Å; L205-L211 WeakPolarHBondContact O-CG 3.38Å; L205-L211 PolarHBondContact O-N 3.1Å; L205-L273 HydrophobicContact CD1-CD2 3.69Å |
| 206 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -96.7 | -35.2 | -176.3 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | L153 Q156 N157 L203 S204 F210 L211 | L153-V206 HydrophobicContact CD1-CG1 4.31Å; L153-V206 HydrophobicContact CD1-CG2 3.74Å; L153-V206 HydrophobicContact CD2-CG1 4.48Å; L153-V206 HydrophobicContact CG-CG1 3.91Å; L153-V206 HydrophobicContact CG-CG2 4.19Å; L153-V206 WeakPolarHBondContact O-CG2 3.46Å; Q156-V206 HydrophobicContact CB-CG2 3.87Å; N157-V206 HydrophobicContact CB-CB 4.4Å; L203-V206 HydrophobicContact CD1-CG2 4.22Å; L203-V206 WeakPolarHBondContact O-CG2 3.32Å; L203-V206 PolarHBondContact O-N 3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 3.2Å; V206-F210 WeakPolarHBondContact O-CA 3.4Å; V206-L211 WeakPolarHBondContact CG1-O 3.4Å |
| 207 | K | 91 | Very high | 93.9 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -84.5 | -40.1 | -178.1 | -83.4 | -167.7 | 177.3 | 172.4 | 0 | 114 | Q156 L203 F210 | Q156-K207 HydrophobicContact CB-CG 4.18Å; Q156-K207 WeakPolarHBondContact O-CG 3.39Å; L203-K207 HydrophobicContact CD1-CD 3.7Å; L203-K207 HydrophobicContact CD1-CG 3.9Å; L203-K207 HydrophobicContact CD2-CD 4.07Å; L203-K207 HydrophobicContact CG-CD 3.81Å; L203-K207 HydrophobicContact CG-CG 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.08Å; K207-F210 WeakPolarHBondContact O-CE1 3.36Å |
| 208 | E | 91.8 | Very high | 93.9 | Very high | 141 Ų | 141 | 40.5 Ų | 40.5 | 66% | 0.659 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -40.4 | -173 | -60.1 | 174.7 | -165.2 | 0 | 0 | 111.3 | S204 F210 | S204-E208 WeakPolarHBondContact O-CA 3.27Å; S204-E208 WeakPolarHBondContact O-CB 3.03Å; S204-E208 PolarHBondContact O-N 2.9Å; E208-F210 WeakPolarHBondContact O-CD2 3.31Å; E208-F210 VanDerWaalsContact O-CE2 3.27Å; E208-F210 WeakPolarHBondContact O-CE2 3.49Å |
| 209 | E | 92.9 | Very high | 93.2 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -91.2 | -4.8 | -179.5 | -58 | 174 | -150.5 | 0 | 0 | 112.9 | R201 S204 L205 L211 R242 | R201-E209 IonicContact CZ-OE1 3.53Å; R201-E209 IonicContact NH1-OE1 2.77Å; R201-E209 PolarHBondContact NH1-OE1 2.81Å; R201-E209 IonicContact NH2-OE1 2.7Å; R201-E209 PolarHBondContact NH2-OE1 3.31Å; R201-E209 IonicContact NH2-OE2 2.7Å; S204-E209 PolarHBondContact O-N 3.47Å; L205-E209 WeakPolarHBondContact CD2-OE2 3.28Å; L205-E209 CarbonylContact O-C 3.53Å; L205-E209 WeakPolarHBondContact O-CB 3.47Å; E209-L211 HydrophobicContact CB-CD1 4.35Å; E209-L211 HydrophobicContact CB-CG 4.01Å; E209-L211 PolarHBondContact O-N 3.41Å; E209-R242 PolarHBondContact O-NE 3.48Å; E209-R242 PolarHBondContact O-NH2 3.11Å |
| 210 | F | 94 | Very high | 92.5 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | trans | 53.7 | 31.2 | 178.1 | -52.1 | -71.6 | 0 | 0 | 0 | 114.2 | N157 P158 F159 L205 V206 K207 E208 | N157-F210 PolarHBondContact ND2-O 3.34Å; P158-F210 HydrophobicContact CG-CD1 4.49Å; P158-F210 HydrophobicContact CG-CE1 4.1Å; F159-F210 HydrophobicContact CD2-CB 4.02Å; F159-F210 AromaticContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CG 4.15Å; F159-F210 HydrophobicContact CE2-CB 3.69Å; F159-F210 AromaticContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD1 3.4Å; F159-F210 VanDerWaalsContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD2 4.2Å; F159-F210 HydrophobicContact CE2-CE1 4.05Å; F159-F210 AromaticContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CE2-CG 3.49Å; F159-F210 VanDerWaalsContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CZ-CD1 4.07Å; F159-F210 HydrophobicContact CZ-CE1 4.26Å; F159-F210 HydrophobicContact CZ-CG 4.32Å; L205-F210 PolarHBondContact O-N 3.37Å; V206-F210 WeakPolarHBondContact O-CA 3.4Å; K207-F210 WeakPolarHBondContact O-CE1 3.36Å; E208-F210 WeakPolarHBondContact O-CD2 3.31Å; E208-F210 VanDerWaalsContact O-CE2 3.27Å; E208-F210 WeakPolarHBondContact O-CE2 3.49Å | ||
| 211 | L | 95.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | trans | -75.4 | 150.9 | 177.7 | -55.3 | -179.5 | 0 | 0 | 0 | 110.4 | N157 L205 V206 E209 V240 H241 L247 | N157-L211 PolarHBondContact ND2-O 2.88Å; L205-L211 HydrophobicContact CB-CD1 4.31Å; L205-L211 HydrophobicContact CD2-CD1 4.25Å; L205-L211 WeakPolarHBondContact O-CB 3.14Å; L205-L211 VanDerWaalsContact O-CG 3.3Å; L205-L211 WeakPolarHBondContact O-CG 3.38Å; L205-L211 PolarHBondContact O-N 3.1Å; V206-L211 WeakPolarHBondContact CG1-O 3.4Å; E209-L211 HydrophobicContact CB-CD1 4.35Å; E209-L211 HydrophobicContact CB-CG 4.01Å; E209-L211 PolarHBondContact O-N 3.41Å; L211-V240 HydrophobicContact CB-CG1 4.15Å; L211-V240 HydrophobicContact CD1-CG1 4.13Å; L211-V240 HydrophobicContact CD2-CG1 3.95Å; L211-V240 HydrophobicContact CG-CG1 4.3Å; L211-H241 CarbonylContact C-O 3.46Å; L211-H241 WeakPolarHBondContact CA-O 3.47Å; L211-L247 HydrophobicContact CD2-CD1 3.7Å | ||
| 212 | F | 96.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.8 | 168.6 | 178.5 | -100.4 | 0 | 0 | 0 | 108.6 | N154 L160 V240 H241 | N154-F212 HydrophobicContact CB-CD2 3.73Å; N154-F212 HydrophobicContact CB-CE2 3.67Å; N154-F212 VanDerWaalsContact CG-CD2 3.49Å; N154-F212 WeakPolarHBondContact ND2-CE2 3.13Å; L160-F212 HydrophobicContact CD1-CD2 3.47Å; L160-F212 VanDerWaalsContact CD1-CD2 3.47Å; L160-F212 HydrophobicContact CD1-CE2 3.63Å; F212-V240 WeakPolarHBondContact O-CA 3.49Å; F212-H241 HydrophobicContact CB-CB 4.27Å; F212-H241 HydrophobicContact CD1-CB 4.37Å; F212-H241 PolarHBondContact N-O 3.35Å; F212-H241 PolarHBondContact O-N 3.06Å |
| 213 | L | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109.3 | -179 | -61.8 | 176.9 | 0 | 0 | 0 | 109.1 | F150 L153 N154 P215 V240 F250 | F150-L213 HydrophobicContact CD1-CB 3.78Å; F150-L213 HydrophobicContact CD1-CD1 4.24Å; F150-L213 HydrophobicContact CE1-CB 4.04Å; F150-L213 HydrophobicContact CE1-CD1 4.04Å; L153-L213 HydrophobicContact CD2-CD1 4.14Å; N154-L213 PolarHBondContact ND2-O 3.03Å; N154-L213 PolarHBondContact OD1-N 3.01Å; L213-P215 VanDerWaalsContact O-CD 3.23Å; L213-P215 WeakPolarHBondContact O-CD 3.49Å; L213-V240 HydrophobicContact CD2-CB 4.43Å; L213-V240 HydrophobicContact CD2-CG1 4.19Å; L213-V240 HydrophobicContact CD2-CG2 3.78Å; L213-F250 HydrophobicContact CB-CE1 3.96Å; L213-F250 HydrophobicContact CB-CZ 4.19Å; L213-F250 HydrophobicContact CD2-CD1 3.9Å; L213-F250 HydrophobicContact CD2-CE1 4.13Å; L213-F250 HydrophobicContact CD2-CG 4.31Å |
| 214 | S | 95.4 | Very high | 91.2 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 99.3 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | G238 T239 | S214-G238 CarbonylContact O-C 3.55Å; S214-G238 WeakPolarHBondContact O-CA 3.37Å; S214-T239 PolarHBondContact N-O 3.07Å; S214-T239 PolarHBondContact O-N 3.2Å |
| 215 | P | 95.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.2 | -179 | 31.5 | -36.8 | 0 | 0 | 0 | 111.2 | F150 L213 L217 V236 F250 | F150-P215 HydrophobicContact CB-CG 4.06Å; F150-P215 HydrophobicContact CD2-CB 3.7Å; F150-P215 HydrophobicContact CD2-CG 3.61Å; F150-P215 HydrophobicContact CE2-CB 3.84Å; F150-P215 HydrophobicContact CE2-CG 4.28Å; F150-P215 HydrophobicContact CG-CB 4.28Å; F150-P215 HydrophobicContact CG-CG 3.91Å; L213-P215 VanDerWaalsContact O-CD 3.23Å; L213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-L217 HydrophobicContact CB-CD2 3.98Å; P215-L217 HydrophobicContact CB-CG 4.5Å; P215-L217 HydrophobicContact CG-CD2 4.32Å; P215-V236 HydrophobicContact CB-CG2 3.69Å; P215-F250 HydrophobicContact CB-CZ 4.39Å |
| 216 | N | 91.6 | Very high | 90 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | trans | -89.7 | 107.2 | 169.3 | 176.6 | 13.5 | 0 | 0 | 0 | 108.6 | D218 G221 A237 P289 | N216-D218 VanDerWaalsContact C-N 3.34Å; N216-D218 VanDerWaalsContact OD1-CB 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.34Å; N216-D218 VanDerWaalsContact OD1-CG 3.31Å; N216-D218 PolarHBondContact OD1-N 3.34Å; N216-D218 PolarHBondContact OD1-OD2 2.95Å; N216-G221 CarbonylContact O-C 3.59Å; N216-G221 WeakPolarHBondContact O-CA 3.34Å; N216-A237 VanDerWaalsContact CB-O 3.3Å; N216-A237 WeakPolarHBondContact CB-O 3.44Å; N216-A237 PolarHBondContact N-O 3.42Å; N216-P289 PolarHBondContact ND2-O 3.37Å | ||
| 217 | L | 89.8 | Confident | 88.8 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | trans | -92.9 | 6.6 | -177.8 | -55.1 | -177.3 | 0 | 0 | 0 | 113.6 | C146 H147 P215 V236 | C146-L217 HydrophobicContact CB-CD2 3.57Å; H147-L217 WeakPolarHBondContact CE1-CD1 3.33Å; H147-L217 WeakPolarHBondContact NE2-CD1 3.47Å; P215-L217 HydrophobicContact CB-CD2 3.98Å; P215-L217 HydrophobicContact CB-CG 4.5Å; P215-L217 HydrophobicContact CG-CD2 4.32Å; L217-V236 HydrophobicContact CD2-CG2 4.32Å | ||
| 218 | D | 87.4 | Confident | 87.4 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -63.8 | 165.5 | 171 | -65.7 | -16 | 0 | 0 | 0 | 111.3 | N216 H220 G221 L222 K288 | N216-D218 VanDerWaalsContact C-N 3.34Å; N216-D218 VanDerWaalsContact OD1-CB 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.34Å; N216-D218 VanDerWaalsContact OD1-CG 3.31Å; N216-D218 PolarHBondContact OD1-N 3.34Å; N216-D218 PolarHBondContact OD1-OD2 2.95Å; D218-H220 PolarHBondContact O-N 3.33Å; D218-G221 PolarHBondContact O-N 2.85Å; D218-L222 PolarHBondContact O-N 3.08Å; D218-K288 WeakPolarHBondContact OD2-CE 3.22Å; D218-K288 IonicContact OD2-NZ 2.71Å; D218-K288 PolarHBondContact OD2-NZ 2.96Å |
| 219 | S | 78.3 | Confident | 86.1 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 56% | 0.559 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -23.9 | 178.3 | 56.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 220 | H | 80.1 | Confident | 85.2 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -23.1 | 176.8 | -67 | -73.8 | 0 | 0 | 0 | 113.6 | D218 A290 V291 | D218-H220 PolarHBondContact O-N 3.33Å; H220-A290 HydrophobicContact CB-CB 4.5Å; H220-A290 VanDerWaalsContact O-CA 3.26Å; H220-A290 WeakPolarHBondContact O-CA 3.44Å; H220-V291 PolarHBondContact O-N 3.21Å; H220-V291 VanDerWaalsContact O-N 3.13Å |
| 221 | G | 84.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N216 D218 V236 A237 V291 | N216-G221 CarbonylContact O-C 3.59Å; N216-G221 WeakPolarHBondContact O-CA 3.34Å; D218-G221 PolarHBondContact O-N 2.85Å; G221-V236 CarbonylContact O-C 3.52Å; G221-V236 VanDerWaalsContact O-CA 3.23Å; G221-V236 WeakPolarHBondContact O-CA 3.34Å; G221-A237 PolarHBondContact O-N 2.97Å; G221-V291 WeakPolarHBondContact O-CG2 3.44Å |
| 222 | L | 90.7 | Very high | 84.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.6 | 176.6 | 178.2 | 69.3 | 0 | 0 | 0 | 110.7 | E143 D218 V234 G235 V236 | E143-L222 HydrophobicContact CB-CD2 4.21Å; E143-L222 HydrophobicContact CG-CD2 3.4Å; D218-L222 PolarHBondContact O-N 3.08Å; L222-V234 HydrophobicContact CD1-CG1 3.71Å; L222-G235 CarbonylContact C-O 3.57Å; L222-G235 WeakPolarHBondContact CA-O 3.18Å; L222-V236 HydrophobicContact CD1-CB 4.24Å |
| 223 | K | 90 | Very high | 83.9 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138 | 171.4 | -69.9 | -173.2 | -176.7 | -178.7 | 0 | 109.4 | G235 V291 F293 E294 | K223-G235 PolarHBondContact N-O 2.87Å; K223-G235 PolarHBondContact O-N 3.5Å; K223-V291 HydrophobicContact CB-CG1 4.28Å; K223-V291 HydrophobicContact CD-CB 4.16Å; K223-V291 HydrophobicContact CD-CG1 4.05Å; K223-V291 WeakPolarHBondContact CE-O 3.42Å; K223-V291 HydrophobicContact CG-CB 4.15Å; K223-V291 HydrophobicContact CG-CG1 4.29Å; K223-V291 PolarHBondContact NZ-O 3.34Å; K223-F293 PolarHBondContact NZ-O 3.09Å; K223-E294 IonicContact NZ-OE1 2.98Å; K223-E294 PolarHBondContact NZ-OE1 3.44Å; K223-E294 IonicContact NZ-OE2 3.94Å |
| 224 | C | 88.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.6 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | F138 G142 M233 | F138-C224 HydrophobicContact CB-CB 4.25Å; F138-C224 WeakPolarHBondContact O-CB 3.49Å; F138-C224 PolarHBondContact O-SG 3.36Å; F138-C224 VanDerWaalsContact O-SG 3.34Å; G142-C224 VanDerWaalsContact CA-SG 3.56Å; C224-M233 VanDerWaalsContact CA-O 3.28Å; C224-M233 WeakPolarHBondContact CA-O 3.34Å |
| 225 | A | 84 | Confident | 83.6 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | V232 M233 L298 | A225-V232 CarbonylContact O-C 3.47Å; A225-M233 PolarHBondContact N-O 3.02Å; A225-M233 PolarHBondContact O-N 3.03Å; A225-L298 HydrophobicContact CB-CD1 3.46Å; A225-L298 VanDerWaalsContact CB-CD1 3.46Å |
| 226 | S | 81.3 | Confident | 83.6 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 158 | 175.2 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | F138 | F138-S226 WeakPolarHBondContact CD2-OG 3.36Å; F138-S226 WeakPolarHBondContact CE2-OG 3.31Å; F138-S226 VanDerWaalsContact CZ-CB 3.42Å; F138-S226 VanDerWaalsContact CZ-OG 3.3Å; F138-S226 WeakPolarHBondContact CZ-OG 3.25Å |
| 227 | S | 69.8 | Low | 83.7 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -117.4 | 156.3 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | H229 G230 L231 Y302 | S227-H229 PolarHBondContact O-N 2.98Å; S227-H229 VanDerWaalsContact O-N 3.12Å; S227-G230 PolarHBondContact O-N 2.77Å; S227-G230 VanDerWaalsContact O-N 3.17Å; S227-L231 PolarHBondContact N-O 2.82Å; S227-L231 WeakPolarHBondContact OG-CA 3.38Å; S227-L231 WeakPolarHBondContact OG-CB 3.49Å; S227-L231 PolarHBondContact OG-N 3.07Å; S227-L231 VanDerWaalsContact OG-N 3.11Å; S227-L231 PolarHBondContact OG-O 3.24Å; S227-Y302 VanDerWaalsContact CB-CE2 3.48Å; S227-Y302 WeakPolarHBondContact CB-OH 3.31Å; S227-Y302 PolarHBondContact OG-OH 3.25Å | ||
| 228 | P | 62.1 | Low | 83.9 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 83% | 0.831 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.2 | 178.7 | -24.3 | 34.7 | 0 | 0 | 0 | 113.8 | G230 | P228-G230 VanDerWaalsContact C-N 3.34Š|
| 229 | H | 64.1 | Low | 84.2 | Confident | 159 Ų | 159 | 36.1 Ų | 36.1 | 74% | 0.736 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 11.3 | -177.1 | -51.7 | -62 | 0 | 0 | 0 | 113.9 | S227 | S227-H229 PolarHBondContact O-N 2.98Å; S227-H229 VanDerWaalsContact O-N 3.12Å |
| 230 | G | 74.6 | Confident | 85 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 88 | 3.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S227 P228 | S227-G230 PolarHBondContact O-N 2.77Å; S227-G230 VanDerWaalsContact O-N 3.17Å; P228-G230 VanDerWaalsContact C-N 3.34Å |
| 231 | L | 81.1 | Confident | 85.6 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.4 | 167.3 | 175.3 | 73.1 | 0 | 0 | 0 | 109.8 | S227 I257 F270 Y302 | S227-L231 PolarHBondContact N-O 2.82Å; S227-L231 WeakPolarHBondContact OG-CA 3.38Å; S227-L231 WeakPolarHBondContact OG-CB 3.49Å; S227-L231 PolarHBondContact OG-N 3.07Å; S227-L231 VanDerWaalsContact OG-N 3.11Å; S227-L231 PolarHBondContact OG-O 3.24Å; L231-I257 HydrophobicContact CD1-CD1 4.37Å; L231-I257 HydrophobicContact CD1-CG1 3.76Å; L231-F270 HydrophobicContact CD1-CE1 4.11Å; L231-F270 HydrophobicContact CD2-CE1 4.09Å; L231-Y302 HydrophobicContact CD2-CE2 4.15Å |
| 232 | V | 87.4 | Confident | 86 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.7 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 109 | F138 L141 A225 V234 L256 W266 | F138-V232 HydrophobicContact CD1-CG1 4.01Å; F138-V232 HydrophobicContact CD1-CG2 3.7Å; F138-V232 HydrophobicContact CE1-CG2 3.52Å; L141-V232 HydrophobicContact CD2-CG1 4.02Å; A225-V232 CarbonylContact O-C 3.47Å; V232-V234 HydrophobicContact CG1-CG2 4.25Å; V232-L256 HydrophobicContact CB-CB 4.38Å; V232-L256 PolarHBondContact N-O 3.32Å; V232-L256 PolarHBondContact O-N 3.2Å; V232-W266 HydrophobicContact CB-CE3 4.49Å; V232-W266 HydrophobicContact CB-CH2 4.23Å; V232-W266 HydrophobicContact CB-CZ3 3.82Å; V232-W266 HydrophobicContact CG2-CE3 4.43Å; V232-W266 HydrophobicContact CG2-CH2 3.35Å; V232-W266 HydrophobicContact CG2-CZ2 4.36Å; V232-W266 HydrophobicContact CG2-CZ3 3.4Å |
| 233 | M | 88.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.2 | 173.4 | -71.6 | -166.1 | 58.1 | 0 | 0 | 110.6 | C224 A225 I253 F254 F270 F293 L298 F301 | C224-M233 VanDerWaalsContact CA-O 3.28Å; C224-M233 WeakPolarHBondContact CA-O 3.34Å; A225-M233 PolarHBondContact N-O 3.02Å; A225-M233 PolarHBondContact O-N 3.03Å; M233-I253 HydrophobicContact CE-CG2 3.35Å; M233-F254 VanDerWaalsContact CA-O 3.29Å; M233-F254 WeakPolarHBondContact CA-O 3.42Å; M233-F270 HydrophobicContact CE-CE2 4.4Å; M233-F270 HydrophobicContact CE-CZ 4.23Å; M233-F270 HydrophobicContact CG-CZ 4.28Å; M233-F270 HydrophobicContact SD-CZ 4.25Å; M233-F293 HydrophobicContact CE-CD1 4.45Å; M233-F293 HydrophobicContact CE-CD2 4.11Å; M233-F293 HydrophobicContact CE-CE1 3.79Å; M233-F293 HydrophobicContact CE-CE2 3.33Å; M233-F293 HydrophobicContact CE-CZ 3.18Å; M233-F293 HydrophobicContact SD-CE1 4.37Å; M233-F293 HydrophobicContact SD-CE2 4.13Å; M233-F293 HydrophobicContact SD-CZ 3.6Å; M233-L298 HydrophobicContact CB-CD1 3.98Å; M233-L298 HydrophobicContact CG-CD1 3.79Å; M233-L298 HydrophobicContact CG-CG 4.42Å; M233-L298 HydrophobicContact SD-CB 4.23Å; M233-L298 HydrophobicContact SD-CD1 3.43Å; M233-L298 WeakPolarHBondContact SD-CD1 3.31Å; M233-L298 HydrophobicContact SD-CG 3.66Å; M233-F301 HydrophobicContact CE-CD2 3.74Å; M233-F301 HydrophobicContact CE-CE2 4.13Å; M233-F301 HydrophobicContact CE-CG 4.4Å; M233-F301 HydrophobicContact SD-CB 4.49Å; M233-F301 HydrophobicContact SD-CD2 4.18Å |
| 234 | V | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.1 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | L141 F145 L222 V232 I253 F254 L256 | L141-V234 HydrophobicContact CD2-CG2 4.31Å; F145-V234 HydrophobicContact CD1-CB 4.4Å; F145-V234 HydrophobicContact CD1-CG1 4.09Å; F145-V234 HydrophobicContact CD1-CG2 4.5Å; L222-V234 HydrophobicContact CD1-CG1 3.71Å; V232-V234 HydrophobicContact CG1-CG2 4.25Å; V234-I253 CarbonylContact O-C 3.52Å; V234-I253 WeakPolarHBondContact O-CA 3.32Å; V234-F254 HydrophobicContact CB-CB 4.41Å; V234-F254 PolarHBondContact N-O 3.31Å; V234-F254 WeakPolarHBondContact O-CD2 3.05Å; V234-F254 PolarHBondContact O-N 2.92Å; V234-L256 HydrophobicContact CG2-CD1 3.64Å; V234-L256 HydrophobicContact CG2-CG 4.33Å |
| 235 | G | 92.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L222 K223 Q252 V291 | L222-G235 CarbonylContact C-O 3.57Å; L222-G235 WeakPolarHBondContact CA-O 3.18Å; K223-G235 PolarHBondContact N-O 2.87Å; K223-G235 PolarHBondContact O-N 3.5Å; G235-Q252 CarbonylContact C-O 3.51Å; G235-Q252 WeakPolarHBondContact CA-O 2.95Å; G235-V291 WeakPolarHBondContact O-CG2 3.32Å |
| 236 | V | 95.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133.8 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | F150 P215 L217 G221 L222 F250 E251 Q252 F254 | F150-V236 HydrophobicContact CE2-CG1 3.66Å; F150-V236 HydrophobicContact CE2-CG2 4.24Å; F150-V236 HydrophobicContact CZ-CG1 3.67Å; P215-V236 HydrophobicContact CB-CG2 3.69Å; L217-V236 HydrophobicContact CD2-CG2 4.32Å; G221-V236 CarbonylContact O-C 3.52Å; G221-V236 VanDerWaalsContact O-CA 3.23Å; G221-V236 WeakPolarHBondContact O-CA 3.34Å; L222-V236 HydrophobicContact CD1-CB 4.24Å; V236-F250 HydrophobicContact CG1-CE2 4.45Å; V236-E251 CarbonylContact O-C 3.54Å; V236-E251 WeakPolarHBondContact O-CA 3.26Å; V236-Q252 HydrophobicContact CG1-CB 4.08Å; V236-Q252 PolarHBondContact N-O 3.29Å; V236-Q252 PolarHBondContact O-N 2.85Å; V236-F254 HydrophobicContact CG1-CD2 4.48Å; V236-F254 HydrophobicContact CG1-CE2 3.85Å |
| 237 | A | 94.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N216 G221 F250 P289 A290 V291 | N216-A237 VanDerWaalsContact CB-O 3.3Å; N216-A237 WeakPolarHBondContact CB-O 3.44Å; N216-A237 PolarHBondContact N-O 3.42Å; G221-A237 PolarHBondContact O-N 2.97Å; A237-F250 CarbonylContact C-O 3.56Å; A237-F250 VanDerWaalsContact CA-O 3.26Å; A237-F250 WeakPolarHBondContact CA-O 3.29Å; A237-P289 HydrophobicContact CB-CB 3.84Å; A237-A290 VanDerWaalsContact CB-C 3.47Å; A237-V291 HydrophobicContact CB-CG2 3.86Å |
| 238 | G | 94.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -169.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S214 I249 F250 P289 | S214-G238 CarbonylContact O-C 3.55Å; S214-G238 WeakPolarHBondContact O-CA 3.37Å; G238-I249 CarbonylContact O-C 3.54Å; G238-I249 VanDerWaalsContact O-CA 3.28Å; G238-I249 WeakPolarHBondContact O-CA 3.45Å; G238-I249 WeakPolarHBondContact O-CB 3.47Å; G238-F250 VanDerWaalsContact C-CD1 3.45Å; G238-F250 VanDerWaalsContact CA-CE1 3.42Å; G238-F250 PolarHBondContact N-O 3.49Å; G238-F250 PolarHBondContact O-N 3.44Å; G238-P289 WeakPolarHBondContact O-CB 3.19Å; G238-P289 WeakPolarHBondContact O-CG 3.44Å |
| 239 | T | 94.1 | Very high | 89 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.2 | 177.2 | 49 | 0 | 0 | 0 | 0 | 110.5 | S214 H241 G248 I249 F250 P289 | S214-T239 PolarHBondContact N-O 3.07Å; S214-T239 PolarHBondContact O-N 3.2Å; T239-H241 VanDerWaalsContact CB-NE2 3.28Å; T239-H241 WeakPolarHBondContact CB-NE2 3.48Å; T239-H241 PolarHBondContact OG1-CD2 3.35Å; T239-H241 PolarHBondContact OG1-NE2 2.96Å; T239-G248 WeakPolarHBondContact CA-O 3.21Å; T239-I249 HydrophobicContact CG2-CG2 4.47Å; T239-F250 WeakPolarHBondContact O-CE1 3.18Å; T239-P289 HydrophobicContact CG2-CG 3.71Å |
| 240 | V | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.6 | 175.1 | -174 | 0 | 0 | 0 | 0 | 107.8 | L211 F212 L213 L247 G248 F250 I275 | L211-V240 HydrophobicContact CB-CG1 4.15Å; L211-V240 HydrophobicContact CD1-CG1 4.13Å; L211-V240 HydrophobicContact CD2-CG1 3.95Å; L211-V240 HydrophobicContact CG-CG1 4.3Å; F212-V240 WeakPolarHBondContact O-CA 3.49Å; L213-V240 HydrophobicContact CD2-CB 4.43Å; L213-V240 HydrophobicContact CD2-CG1 4.19Å; L213-V240 HydrophobicContact CD2-CG2 3.78Å; V240-L247 PolarHBondContact O-N 3.07Å; V240-G248 PolarHBondContact N-O 3.13Å; V240-G248 PolarHBondContact O-N 2.97Å; V240-F250 HydrophobicContact CG2-CB 3.81Å; V240-F250 HydrophobicContact CG2-CD1 3.77Å; V240-F250 HydrophobicContact CG2-CG 4.23Å; V240-I275 HydrophobicContact CG2-CD1 4.47Å; V240-I275 HydrophobicContact CG2-CG1 4.4Å; V240-I275 HydrophobicContact CG2-CG2 4.09Å |
| 241 | H | 92.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.199 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 158.4 | -179.2 | -62.4 | -99.1 | 0 | 0 | 0 | 111.3 | L211 F212 T239 T245 C246 | L211-H241 CarbonylContact C-O 3.46Å; L211-H241 WeakPolarHBondContact CA-O 3.47Å; F212-H241 HydrophobicContact CB-CB 4.27Å; F212-H241 HydrophobicContact CD1-CB 4.37Å; F212-H241 PolarHBondContact N-O 3.35Å; F212-H241 PolarHBondContact O-N 3.06Å; T239-H241 VanDerWaalsContact CB-NE2 3.28Å; T239-H241 WeakPolarHBondContact CB-NE2 3.48Å; T239-H241 PolarHBondContact OG1-CD2 3.35Å; T239-H241 PolarHBondContact OG1-NE2 2.96Å; H241-T245 CarbonylContact C-O 2.98Å; H241-T245 VanDerWaalsContact CA-O 3.27Å; H241-T245 WeakPolarHBondContact CA-O 3.16Å; H241-C246 WeakPolarHBondContact ND1-CA 3.36Å |
| 242 | R | 92.5 | Very high | 92 | Very high | 116 Ų | 116 | 31.6 Ų | 31.6 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 112.9 | 161.1 | -179.2 | -177.8 | -66.9 | 135.8 | -1.8 | 107.6 | E209 N244 T245 L247 | E209-R242 PolarHBondContact O-NE 3.48Å; E209-R242 PolarHBondContact O-NH2 3.11Å; R242-N244 PolarHBondContact O-N 3.22Å; R242-T245 PolarHBondContact N-O 3.4Å; R242-T245 PolarHBondContact O-N 2.81Å; R242-T245 VanDerWaalsContact O-N 3.16Å; R242-L247 HydrophobicContact CB-CD1 3.67Å; R242-L247 HydrophobicContact CB-CD2 4.5Å; R242-L247 HydrophobicContact CB-CG 4.17Å |
| 243 | G | 87.4 | Confident | 92.2 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 62% | 0.619 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | -128.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T245 | G243-T245 VanDerWaalsContact C-N 3.32Š|
| 244 | N | 86.8 | Confident | 92.5 | Very high | 174 Ų | 174 | 32.2 Ų | 32.2 | 93% | 0.93 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.1 | -179.8 | -64.1 | -6.5 | 0 | 0 | 0 | 113.5 | R242 | R242-N244 PolarHBondContact O-N 3.22Š|
| 245 | T | 89.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 54% | 0.54 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.8 | -177 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | H241 R242 G243 L247 | H241-T245 CarbonylContact C-O 2.98Å; H241-T245 VanDerWaalsContact CA-O 3.27Å; H241-T245 WeakPolarHBondContact CA-O 3.16Å; R242-T245 PolarHBondContact N-O 3.4Å; R242-T245 PolarHBondContact O-N 2.81Å; R242-T245 VanDerWaalsContact O-N 3.16Å; G243-T245 VanDerWaalsContact C-N 3.32Å; T245-L247 HydrophobicContact CG2-CD2 4.2Å; T245-L247 PolarHBondContact O-N 3.22Å |
| 246 | C | 91.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118.9 | 169.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | H241 L286 | H241-C246 WeakPolarHBondContact ND1-CA 3.36Å; C246-L286 HydrophobicContact CB-CD1 4.45Å |
| 247 | L | 90.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -19.3 | 179.5 | -60 | -177.2 | 0 | 0 | 0 | 112.6 | L211 V240 R242 T245 G277 E278 | L211-L247 HydrophobicContact CD2-CD1 3.7Å; V240-L247 PolarHBondContact O-N 3.07Å; R242-L247 HydrophobicContact CB-CD1 3.67Å; R242-L247 HydrophobicContact CB-CD2 4.5Å; R242-L247 HydrophobicContact CB-CG 4.17Å; T245-L247 HydrophobicContact CG2-CD2 4.2Å; T245-L247 PolarHBondContact O-N 3.22Å; L247-G277 CarbonylContact O-C 3.51Å; L247-G277 WeakPolarHBondContact O-CA 3.41Å; L247-E278 PolarHBondContact O-N 3.28Å |
| 248 | G | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | -153.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T239 V240 R276 | T239-G248 WeakPolarHBondContact CA-O 3.21Å; V240-G248 PolarHBondContact N-O 3.13Å; V240-G248 PolarHBondContact O-N 2.97Å; G248-R276 WeakPolarHBondContact CA-O 3.37Å |
| 249 | I | 92.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.4 | -176.9 | 64.4 | 175.4 | 0 | 0 | 0 | 111.3 | G238 T239 R276 L281 L286 P289 | G238-I249 CarbonylContact O-C 3.54Å; G238-I249 VanDerWaalsContact O-CA 3.28Å; G238-I249 WeakPolarHBondContact O-CA 3.45Å; G238-I249 WeakPolarHBondContact O-CB 3.47Å; T239-I249 HydrophobicContact CG2-CG2 4.47Å; I249-R276 HydrophobicContact CG1-CB 4.14Å; I249-R276 PolarHBondContact N-O 3.06Å; I249-R276 PolarHBondContact O-N 3.19Å; I249-L281 HydrophobicContact CD1-CD2 3.92Å; I249-L281 HydrophobicContact CG1-CD1 4.43Å; I249-L281 HydrophobicContact CG1-CD2 4.27Å; I249-L281 HydrophobicContact CG2-CD1 4.4Å; I249-L286 HydrophobicContact CG2-CD2 3.92Å; I249-P289 HydrophobicContact CG2-CG 4.02Å |
| 250 | F | 93.9 | Very high | 87.9 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.1 | 169.9 | 77 | -88.8 | 0 | 0 | 0 | 111.9 | F150 L213 P215 V236 A237 G238 T239 V240 Q252 L273 K274 I275 | F150-F250 HydrophobicContact CD1-CZ 4.49Å; F150-F250 AromaticContact CE1-CE2 3.82Å; F150-F250 HydrophobicContact CE1-CE2 3.82Å; F150-F250 AromaticContact CE1-CZ 3.77Å; F150-F250 HydrophobicContact CE1-CZ 3.77Å; F150-F250 AromaticContact CZ-CE2 3.71Å; F150-F250 HydrophobicContact CZ-CE2 3.71Å; F150-F250 AromaticContact CZ-CZ 3.89Å; F150-F250 HydrophobicContact CZ-CZ 3.89Å; L213-F250 HydrophobicContact CB-CE1 3.96Å; L213-F250 HydrophobicContact CB-CZ 4.19Å; L213-F250 HydrophobicContact CD2-CD1 3.9Å; L213-F250 HydrophobicContact CD2-CE1 4.13Å; L213-F250 HydrophobicContact CD2-CG 4.31Å; P215-F250 HydrophobicContact CB-CZ 4.39Å; V236-F250 HydrophobicContact CG1-CE2 4.45Å; A237-F250 CarbonylContact C-O 3.56Å; A237-F250 VanDerWaalsContact CA-O 3.26Å; A237-F250 WeakPolarHBondContact CA-O 3.29Å; G238-F250 VanDerWaalsContact C-CD1 3.45Å; G238-F250 VanDerWaalsContact CA-CE1 3.42Å; G238-F250 PolarHBondContact N-O 3.49Å; G238-F250 PolarHBondContact O-N 3.44Å; T239-F250 WeakPolarHBondContact O-CE1 3.18Å; V240-F250 HydrophobicContact CG2-CB 3.81Å; V240-F250 HydrophobicContact CG2-CD1 3.77Å; V240-F250 HydrophobicContact CG2-CG 4.23Å; F250-Q252 HydrophobicContact CD2-CB 4.07Å; F250-Q252 HydrophobicContact CE2-CB 4.16Å; F250-L273 HydrophobicContact CB-CD1 4.39Å; F250-L273 HydrophobicContact CD2-CD1 4.24Å; F250-K274 CarbonylContact C-O 3.59Å; F250-K274 WeakPolarHBondContact CA-O 3.34Å; F250-K274 WeakPolarHBondContact CB-O 3.41Å; F250-I275 HydrophobicContact CB-CG1 3.92Å |
| 251 | E | 93.1 | Very high | 85.6 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.6 | 167.3 | 178 | 175.4 | -138.9 | 0 | 0 | 107.3 | V236 K274 K292 | V236-E251 CarbonylContact O-C 3.54Å; V236-E251 WeakPolarHBondContact O-CA 3.26Å; E251-K274 HydrophobicContact CB-CB 4.48Å; E251-K274 PolarHBondContact N-O 3.38Å; E251-K274 PolarHBondContact O-N 3.29Å; E251-K292 PolarHBondContact OE1-N 3.38Å |
| 252 | Q | 95.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128 | -178.2 | -162.8 | 167.5 | 14 | 0 | 0 | 110.3 | G235 V236 F250 F254 I271 N272 L273 | G235-Q252 CarbonylContact C-O 3.51Å; G235-Q252 WeakPolarHBondContact CA-O 2.95Å; V236-Q252 HydrophobicContact CG1-CB 4.08Å; V236-Q252 PolarHBondContact N-O 3.29Å; V236-Q252 PolarHBondContact O-N 2.85Å; F250-Q252 HydrophobicContact CD2-CB 4.07Å; F250-Q252 HydrophobicContact CE2-CB 4.16Å; Q252-F254 HydrophobicContact CB-CE2 4.01Å; Q252-F254 HydrophobicContact CB-CZ 4.32Å; Q252-F254 HydrophobicContact CG-CD2 4.3Å; Q252-F254 HydrophobicContact CG-CE1 4.12Å; Q252-F254 HydrophobicContact CG-CE2 3.58Å; Q252-F254 HydrophobicContact CG-CZ 3.49Å; Q252-F254 VanDerWaalsContact CG-CZ 3.49Å; Q252-I271 HydrophobicContact CG-CG2 3.87Å; Q252-I271 VanDerWaalsContact NE2-CG2 3.33Å; Q252-N272 CarbonylContact C-O 3.58Å; Q252-N272 VanDerWaalsContact CA-O 3.26Å; Q252-N272 WeakPolarHBondContact CA-O 3.38Å; Q252-L273 HydrophobicContact CB-CD1 3.93Å; Q252-L273 HydrophobicContact CG-CB 4.23Å; Q252-L273 HydrophobicContact CG-CD1 3.93Å |
| 253 | I | 92.7 | Very high | 81.8 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.2 | 179.5 | -56.1 | 171.2 | 0 | 0 | 0 | 108 | M233 V234 F270 I271 N272 F293 | M233-I253 HydrophobicContact CE-CG2 3.35Å; V234-I253 CarbonylContact O-C 3.52Å; V234-I253 WeakPolarHBondContact O-CA 3.32Å; I253-F270 HydrophobicContact CG2-CE2 4.36Å; I253-I271 CarbonylContact O-C 3.58Å; I253-I271 VanDerWaalsContact O-CA 3.26Å; I253-I271 WeakPolarHBondContact O-CA 3.47Å; I253-N272 HydrophobicContact CB-CB 4.32Å; I253-N272 PolarHBondContact N-O 3.04Å; I253-N272 PolarHBondContact O-N 3.39Å; I253-F293 HydrophobicContact CD1-CB 3.8Å; I253-F293 HydrophobicContact CD1-CD2 4.07Å; I253-F293 HydrophobicContact CD1-CG 4.11Å |
| 254 | F | 94.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.2 | 177.8 | -58 | -90.8 | 0 | 0 | 0 | 110.3 | F145 F149 F150 M233 V234 V236 Q252 L256 I268 F270 I271 | F145-F254 HydrophobicContact CE1-CB 4.16Å; F145-F254 HydrophobicContact CE1-CD1 4.01Å; F145-F254 AromaticContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CE1 4.26Å; F145-F254 AromaticContact CE1-CE2 3.89Å; F145-F254 HydrophobicContact CE1-CE2 3.89Å; F145-F254 AromaticContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CZ 4.18Å; F145-F254 HydrophobicContact CZ-CB 4.24Å; F145-F254 AromaticContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD2 4.25Å; F145-F254 HydrophobicContact CZ-CE1 4.11Å; F145-F254 AromaticContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CZ 4.45Å; F149-F254 HydrophobicContact CD1-CE1 4.24Å; F149-F254 AromaticContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD2-CE1 4.18Å; F149-F254 HydrophobicContact CD2-CZ 4.48Å; F149-F254 AromaticContact CE1-CE1 3.86Å; F149-F254 HydrophobicContact CE1-CE1 3.86Å; F149-F254 AromaticContact CE1-CZ 3.55Å; F149-F254 HydrophobicContact CE1-CZ 3.55Å; F149-F254 AromaticContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CZ 4.27Å; F149-F254 HydrophobicContact CG-CE1 4.39Å; F149-F254 HydrophobicContact CG-CZ 4.24Å; F149-F254 AromaticContact CZ-CE1 3.6Å; F149-F254 HydrophobicContact CZ-CE1 3.6Å; F149-F254 AromaticContact CZ-CZ 3.82Å; F149-F254 HydrophobicContact CZ-CZ 3.82Å; F150-F254 HydrophobicContact CZ-CE2 4.31Å; F150-F254 HydrophobicContact CZ-CZ 4.31Å; M233-F254 VanDerWaalsContact CA-O 3.29Å; M233-F254 WeakPolarHBondContact CA-O 3.42Å; V234-F254 HydrophobicContact CB-CB 4.41Å; V234-F254 PolarHBondContact N-O 3.31Å; V234-F254 WeakPolarHBondContact O-CD2 3.05Å; V234-F254 PolarHBondContact O-N 2.92Å; V236-F254 HydrophobicContact CG1-CD2 4.48Å; V236-F254 HydrophobicContact CG1-CE2 3.85Å; Q252-F254 HydrophobicContact CB-CE2 4.01Å; Q252-F254 HydrophobicContact CB-CZ 4.32Å; Q252-F254 HydrophobicContact CG-CD2 4.3Å; Q252-F254 HydrophobicContact CG-CE1 4.12Å; Q252-F254 HydrophobicContact CG-CE2 3.58Å; Q252-F254 HydrophobicContact CG-CZ 3.49Å; Q252-F254 VanDerWaalsContact CG-CZ 3.49Å; F254-L256 HydrophobicContact CB-CD2 4.09Å; F254-L256 HydrophobicContact CB-CG 4.45Å; F254-I268 HydrophobicContact CD1-CD1 4.46Å; F254-I268 HydrophobicContact CD1-CG2 4.22Å; F254-F270 WeakPolarHBondContact CA-O 3.37Å; F254-I271 HydrophobicContact CD1-CD1 4.47Å; F254-I271 HydrophobicContact CD1-CG1 4.03Å; F254-I271 HydrophobicContact CD1-CG2 4.27Å; F254-I271 HydrophobicContact CE1-CD1 4.37Å; F254-I271 HydrophobicContact CE1-CG1 4.33Å; F254-I271 HydrophobicContact CE1-CG2 4.13Å |
| 255 | G | 90.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K269 F270 | G255-K269 PolarHBondContact O-N 3.38Å; G255-F270 VanDerWaalsContact CA-CE1 3.48Å; G255-F270 PolarHBondContact N-O 3.38Å |
| 256 | L | 91.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.8 | -179.5 | -52.5 | -178.2 | 0 | 0 | 0 | 109.7 | L141 F145 V232 V234 F254 W266 K267 I268 | L141-L256 HydrophobicContact CD2-CD1 4.09Å; F145-L256 HydrophobicContact CB-CD1 4.44Å; F145-L256 HydrophobicContact CD1-CD1 4.24Å; F145-L256 HydrophobicContact CD2-CD1 3.67Å; F145-L256 HydrophobicContact CD2-CD2 4.11Å; F145-L256 HydrophobicContact CE1-CD1 4.49Å; F145-L256 HydrophobicContact CE1-CD2 4.45Å; F145-L256 HydrophobicContact CE2-CD1 3.93Å; F145-L256 HydrophobicContact CE2-CD2 3.48Å; F145-L256 VanDerWaalsContact CE2-CD2 3.48Å; F145-L256 HydrophobicContact CE2-CG 4.36Å; F145-L256 HydrophobicContact CG-CD1 3.84Å; F145-L256 HydrophobicContact CZ-CD1 4.35Å; F145-L256 HydrophobicContact CZ-CD2 3.7Å; V232-L256 HydrophobicContact CB-CB 4.38Å; V232-L256 PolarHBondContact N-O 3.32Å; V232-L256 PolarHBondContact O-N 3.2Å; V234-L256 HydrophobicContact CG2-CD1 3.64Å; V234-L256 HydrophobicContact CG2-CG 4.33Å; F254-L256 HydrophobicContact CB-CD2 4.09Å; F254-L256 HydrophobicContact CB-CG 4.45Å; L256-W266 HydrophobicContact CB-CE3 3.76Å; L256-W266 HydrophobicContact CB-CZ3 4.45Å; L256-K267 WeakPolarHBondContact CA-O 3.32Å; L256-I268 HydrophobicContact CD2-CB 4.41Å; L256-I268 HydrophobicContact CD2-CG1 3.76Å |
| 257 | I | 84.8 | Confident | 79.6 | Confident | 55 Ų | 55 | 52 Ų | 52 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.3 | 172.4 | -60.4 | 175.7 | 0 | 0 | 0 | 107.5 | W173 L231 C259 K267 K269 | W173-I257 HydrophobicContact CZ2-CB 4.45Å; W173-I257 HydrophobicContact CZ2-CG2 4.21Å; L231-I257 HydrophobicContact CD1-CD1 4.37Å; L231-I257 HydrophobicContact CD1-CG1 3.76Å; I257-C259 PolarHBondContact O-N 2.77Å; I257-K267 PolarHBondContact N-O 3.09Å; I257-K267 PolarHBondContact O-N 3.07Å; I257-K269 HydrophobicContact CD1-CB 3.87Å; I257-K269 HydrophobicContact CD1-CD 4.04Å; I257-K269 HydrophobicContact CD1-CG 3.72Å; I257-K269 HydrophobicContact CG1-CB 4.12Å; I257-K269 HydrophobicContact CG1-CG 4.49Å |
| 258 | R | 79.5 | Confident | 79.7 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.2 | 175.1 | -174.1 | 174.4 | 174.7 | 154.7 | 1.4 | 109 | P260 N264 T265 W266 | R258-P260 WeakPolarHBondContact O-CD 3.46Å; R258-N264 PolarHBondContact NH2-OD1 2.95Å; R258-T265 CarbonylContact C-O 3.58Å; R258-T265 WeakPolarHBondContact CA-O 3.21Å; R258-W266 HydrophobicContact CB-CD2 4.16Å; R258-W266 HydrophobicContact CB-CE3 4.06Å; R258-W266 HydrophobicContact CB-CH2 4.02Å; R258-W266 HydrophobicContact CB-CZ2 4.12Å; R258-W266 HydrophobicContact CB-CZ3 3.98Å; R258-W266 VanDerWaalsContact N-CE3 3.3Å |
| 259 | C | 69.3 | Low | 79.6 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.081 | 25% | 0.253 | C | S | . | . | trans | -62.9 | 118 | 170.1 | -172.9 | 0 | 0 | 0 | 0 | 107.7 | I257 F261 V262 T265 | I257-C259 PolarHBondContact O-N 2.77Å; C259-F261 PolarHBondContact O-N 2.76Å; C259-V262 VanDerWaalsContact O-O 3.13Å; C259-T265 HydrophobicContact CB-CG2 4.19Å; C259-T265 WeakPolarHBondContact CB-O 3.39Å; C259-T265 PolarHBondContact N-O 2.9Å | ||
| 260 | P | 51.4 | Low | 79.4 | Confident | 95 Ų | 95 | 51 Ų | 51 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.2 | -179.1 | 30.1 | -33.9 | 0 | 0 | 0 | 112.3 | R258 | R258-P260 WeakPolarHBondContact O-CD 3.46Š|
| 261 | F | 47.4 | Very low | 79.4 | Confident | 173 Ų | 173 | 50.7 Ų | 50.7 | 76% | 0.759 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -13.9 | -171.5 | -48.5 | -65.7 | 0 | 0 | 0 | 113.9 | C259 | C259-F261 PolarHBondContact O-N 2.76Š|
| 262 | V | 56.8 | Low | 79.3 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -133.1 | 122.9 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | C259 N264 T265 | C259-V262 VanDerWaalsContact O-O 3.13Å; V262-N264 PolarHBondContact O-N 3.2Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.4Å; V262-T265 PolarHBondContact O-N 3.38Å |
| 263 | E | 48.1 | Very low | 79.2 | Confident | 159 Ų | 159 | 50.4 Ų | 50.4 | 74% | 0.743 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.5 | -176.1 | -165.7 | 169.7 | -162.4 | 0 | 0 | 111.1 | T265 | E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 PolarHBondContact O-OG1 2.77Å |
| 264 | N | 57.6 | Low | 79.2 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 18.6 | 179.2 | -65 | -26.9 | 0 | 0 | 0 | 116.8 | R258 V262 | R258-N264 PolarHBondContact NH2-OD1 2.95Å; V262-N264 PolarHBondContact O-N 3.2Å |
| 265 | T | 76.6 | Confident | 79 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | trans | -91.6 | 127.2 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | R258 C259 V262 E263 | R258-T265 CarbonylContact C-O 3.58Å; R258-T265 WeakPolarHBondContact CA-O 3.21Å; C259-T265 HydrophobicContact CB-CG2 4.19Å; C259-T265 WeakPolarHBondContact CB-O 3.39Å; C259-T265 PolarHBondContact N-O 2.9Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.4Å; V262-T265 PolarHBondContact O-N 3.38Å; E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 PolarHBondContact O-OG1 2.77Å | ||
| 266 | W | 84.9 | Confident | 78.9 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.8 | 176.1 | -67.8 | 84.5 | 0 | 0 | 0 | 109.9 | L141 V232 L256 R258 | L141-W266 HydrophobicContact CD1-CD2 4.29Å; L141-W266 HydrophobicContact CD1-CH2 4.37Å; L141-W266 HydrophobicContact CD1-CZ2 3.63Å; V232-W266 HydrophobicContact CB-CE3 4.49Å; V232-W266 HydrophobicContact CB-CH2 4.23Å; V232-W266 HydrophobicContact CB-CZ3 3.82Å; V232-W266 HydrophobicContact CG2-CE3 4.43Å; V232-W266 HydrophobicContact CG2-CH2 3.35Å; V232-W266 HydrophobicContact CG2-CZ2 4.36Å; V232-W266 HydrophobicContact CG2-CZ3 3.4Å; L256-W266 HydrophobicContact CB-CE3 3.76Å; L256-W266 HydrophobicContact CB-CZ3 4.45Å; R258-W266 HydrophobicContact CB-CD2 4.16Å; R258-W266 HydrophobicContact CB-CE3 4.06Å; R258-W266 HydrophobicContact CB-CH2 4.02Å; R258-W266 HydrophobicContact CB-CZ2 4.12Å; R258-W266 HydrophobicContact CB-CZ3 3.98Å; R258-W266 VanDerWaalsContact N-CE3 3.3Å |
| 267 | K | 89 | Confident | 78.7 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.7 | 176.7 | -75 | -167.2 | 175 | -155.1 | 0 | 111.4 | Q170 W173 L256 I257 K269 | Q170-K267 VanDerWaalsContact O-CE 3.31Å; Q170-K267 WeakPolarHBondContact O-CE 3.42Å; Q170-K267 PolarHBondContact O-NZ 3.27Å; Q170-K267 VanDerWaalsContact O-NZ 3.12Å; W173-K267 HydrophobicContact CD2-CB 4.28Å; W173-K267 HydrophobicContact CD2-CD 4.49Å; W173-K267 HydrophobicContact CG-CB 4.21Å; W173-K267 HydrophobicContact CZ2-CB 4.37Å; W173-K267 PolarHBondContact NE1-O 3.38Å; L256-K267 WeakPolarHBondContact CA-O 3.32Å; I257-K267 PolarHBondContact N-O 3.09Å; I257-K267 PolarHBondContact O-N 3.07Å; K267-K269 PolarHBondContact O-N 3.41Å |
| 268 | I | 93.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.8 | -176.6 | -58.5 | 163.4 | 0 | 0 | 0 | 109.8 | F145 F149 H171 F172 W173 V176 F254 L256 I271 | F145-I268 HydrophobicContact CE2-CD1 4.22Å; F145-I268 HydrophobicContact CE2-CG1 4.04Å; F145-I268 HydrophobicContact CZ-CD1 4.1Å; F145-I268 HydrophobicContact CZ-CG1 4.1Å; F149-I268 HydrophobicContact CD2-CD1 3.86Å; F149-I268 HydrophobicContact CE2-CD1 3.73Å; H171-I268 PolarHBondContact O-N 3.15Å; F172-I268 HydrophobicContact CD1-CB 3.71Å; F172-I268 HydrophobicContact CD1-CD1 3.89Å; F172-I268 HydrophobicContact CD1-CG1 4.39Å; F172-I268 HydrophobicContact CD1-CG2 3.93Å; F172-I268 HydrophobicContact CE1-CB 4.25Å; F172-I268 HydrophobicContact CE1-CD1 3.59Å; F172-I268 HydrophobicContact CE1-CG2 4.31Å; F172-I268 HydrophobicContact CZ-CD1 4.34Å; W173-I268 PolarHBondContact N-O 2.97Å; V176-I268 HydrophobicContact CG2-CG2 4.27Å; F254-I268 HydrophobicContact CD1-CD1 4.46Å; F254-I268 HydrophobicContact CD1-CG2 4.22Å; L256-I268 HydrophobicContact CD2-CB 4.41Å; L256-I268 HydrophobicContact CD2-CG1 3.76Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.45Å; I268-I271 VanDerWaalsContact CG2-CG1 3.45Å |
| 269 | K | 89.3 | Confident | 77.8 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -35.3 | -179.7 | -178.1 | 63.1 | 179.8 | -168.3 | 0 | 112.9 | W173 D175 V176 K177 G255 I257 K267 | W173-K269 HydrophobicContact CB-CD 4.15Å; W173-K269 HydrophobicContact CG-CD 4.15Å; D175-K269 IonicContact OD1-NZ 3.92Å; D175-K269 PolarHBondContact OD1-NZ 3.47Å; D175-K269 IonicContact OD2-NZ 2.92Å; D175-K269 PolarHBondContact OD2-NZ 3.28Å; V176-K269 WeakPolarHBondContact CA-O 3.37Å; K177-K269 PolarHBondContact N-O 2.9Å; G255-K269 PolarHBondContact O-N 3.38Å; I257-K269 HydrophobicContact CD1-CB 3.87Å; I257-K269 HydrophobicContact CD1-CD 4.04Å; I257-K269 HydrophobicContact CD1-CG 3.72Å; I257-K269 HydrophobicContact CG1-CB 4.12Å; I257-K269 HydrophobicContact CG1-CG 4.49Å; K267-K269 PolarHBondContact O-N 3.41Å |
| 270 | F | 88.2 | Confident | 77.4 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 159.7 | 173.3 | 65.7 | -97.8 | 0 | 0 | 0 | 110.9 | K177 L231 M233 I253 F254 G255 F301 I305 | K177-F270 CarbonylContact O-C 3.57Å; K177-F270 VanDerWaalsContact O-CA 3.27Å; K177-F270 WeakPolarHBondContact O-CA 3.5Å; L231-F270 HydrophobicContact CD1-CE1 4.11Å; L231-F270 HydrophobicContact CD2-CE1 4.09Å; M233-F270 HydrophobicContact CE-CE2 4.4Å; M233-F270 HydrophobicContact CE-CZ 4.23Å; M233-F270 HydrophobicContact CG-CZ 4.28Å; M233-F270 HydrophobicContact SD-CZ 4.25Å; I253-F270 HydrophobicContact CG2-CE2 4.36Å; F254-F270 WeakPolarHBondContact CA-O 3.37Å; G255-F270 VanDerWaalsContact CA-CE1 3.48Å; G255-F270 PolarHBondContact N-O 3.38Å; F270-F301 HydrophobicContact CE2-CD1 4.44Å; F270-F301 HydrophobicContact CZ-CB 4.44Å; F270-I305 HydrophobicContact CD1-CD1 3.85Å; F270-I305 HydrophobicContact CE1-CD1 3.8Å |
| 271 | I | 94.4 | Very high | 78 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 128.2 | 179.5 | -49.4 | 174.3 | 0 | 0 | 0 | 108.1 | F172 K177 L178 R179 V198 L202 Q252 I253 F254 I268 L273 | F172-I271 HydrophobicContact CD1-CD1 4.22Å; F172-I271 HydrophobicContact CE1-CD1 3.72Å; K177-I271 PolarHBondContact O-N 3.07Å; L178-I271 CarbonylContact C-O 3.59Å; L178-I271 VanDerWaalsContact CA-O 3.29Å; L178-I271 WeakPolarHBondContact CA-O 3.36Å; L178-I271 HydrophobicContact CB-CB 4.45Å; L178-I271 HydrophobicContact CD1-CB 3.74Å; L178-I271 HydrophobicContact CD1-CG2 3.64Å; R179-I271 PolarHBondContact N-O 3.45Å; V198-I271 HydrophobicContact CG1-CD1 3.91Å; L202-I271 HydrophobicContact CD1-CD1 3.69Å; Q252-I271 HydrophobicContact CG-CG2 3.87Å; Q252-I271 VanDerWaalsContact NE2-CG2 3.33Å; I253-I271 CarbonylContact O-C 3.58Å; I253-I271 VanDerWaalsContact O-CA 3.26Å; I253-I271 WeakPolarHBondContact O-CA 3.47Å; F254-I271 HydrophobicContact CD1-CD1 4.47Å; F254-I271 HydrophobicContact CD1-CG1 4.03Å; F254-I271 HydrophobicContact CD1-CG2 4.27Å; F254-I271 HydrophobicContact CE1-CD1 4.37Å; F254-I271 HydrophobicContact CE1-CG1 4.33Å; F254-I271 HydrophobicContact CE1-CG2 4.13Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.45Å; I268-I271 VanDerWaalsContact CG2-CG1 3.45Å; I271-L273 HydrophobicContact CG2-CB 4.49Å |
| 272 | N | 90.6 | Very high | 78.6 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.6 | 161.5 | -63 | -45.1 | 0 | 0 | 0 | 107.3 | R179 Q252 I253 F301 | R179-N272 WeakPolarHBondContact CB-OD1 3.37Å; R179-N272 CarbonylContact O-C 3.54Å; R179-N272 WeakPolarHBondContact O-CA 3.35Å; Q252-N272 CarbonylContact C-O 3.58Å; Q252-N272 VanDerWaalsContact CA-O 3.26Å; Q252-N272 WeakPolarHBondContact CA-O 3.38Å; I253-N272 HydrophobicContact CB-CB 4.32Å; I253-N272 PolarHBondContact N-O 3.04Å; I253-N272 PolarHBondContact O-N 3.39Å; N272-F301 WeakPolarHBondContact ND2-CE1 3.32Å; N272-F301 WeakPolarHBondContact ND2-CZ 3.37Å |
| 273 | L | 94 | Very high | 78.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.1 | 176.9 | 174.3 | 60.7 | 0 | 0 | 0 | 108.8 | L178 R179 F180 Y181 L202 L205 F250 Q252 I271 I275 | L178-L273 HydrophobicContact CD1-CB 4.02Å; R179-L273 PolarHBondContact O-N 3.38Å; F180-L273 CarbonylContact C-O 3.57Å; F180-L273 WeakPolarHBondContact CA-O 3.37Å; F180-L273 HydrophobicContact CD2-CB 4Å; F180-L273 HydrophobicContact CD2-CD2 3.76Å; F180-L273 HydrophobicContact CD2-CG 3.74Å; F180-L273 HydrophobicContact CE2-CD2 3.74Å; F180-L273 HydrophobicContact CE2-CG 3.87Å; Y181-L273 PolarHBondContact N-O 2.86Å; L202-L273 HydrophobicContact CD2-CD2 4.29Å; L205-L273 HydrophobicContact CD1-CD2 3.69Å; F250-L273 HydrophobicContact CB-CD1 4.39Å; F250-L273 HydrophobicContact CD2-CD1 4.24Å; Q252-L273 HydrophobicContact CB-CD1 3.93Å; Q252-L273 HydrophobicContact CG-CB 4.23Å; Q252-L273 HydrophobicContact CG-CD1 3.93Å; I271-L273 HydrophobicContact CG2-CB 4.49Å; L273-I275 HydrophobicContact CD1-CG1 4.13Å; L273-I275 HydrophobicContact CD2-CD1 4.27Å; L273-I275 HydrophobicContact CG-CD1 4.47Å; L273-I275 HydrophobicContact CG-CG1 4.26Å |
| 274 | K | 91.1 | Very high | 78.9 | Confident | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.6 | 177 | -178.6 | 172.6 | -178.5 | 178.5 | 0 | 109.9 | Y181 F250 E251 R276 | Y181-K274 HydrophobicContact CD2-CB 4.48Å; Y181-K274 CarbonylContact O-C 3.58Å; Y181-K274 VanDerWaalsContact O-CA 3.3Å; Y181-K274 WeakPolarHBondContact O-CA 3.28Å; F250-K274 CarbonylContact C-O 3.59Å; F250-K274 WeakPolarHBondContact CA-O 3.34Å; F250-K274 WeakPolarHBondContact CB-O 3.41Å; E251-K274 HydrophobicContact CB-CB 4.48Å; E251-K274 PolarHBondContact N-O 3.38Å; E251-K274 PolarHBondContact O-N 3.29Å; K274-R276 VanDerWaalsContact CE-NE 3.31Å; K274-R276 VanDerWaalsContact NZ-NH2 3.18Å |
| 275 | I | 91.3 | Very high | 78.8 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.1 | 177 | -64.1 | 179.3 | 0 | 0 | 0 | 109.3 | F180 Y181 Y182 N183 V240 F250 L273 | F180-I275 HydrophobicContact CE2-CB 4.31Å; F180-I275 HydrophobicContact CE2-CD1 3.77Å; F180-I275 HydrophobicContact CE2-CG1 3.95Å; F180-I275 HydrophobicContact CZ-CD1 4.01Å; Y181-I275 PolarHBondContact O-N 3.39Å; Y182-I275 WeakPolarHBondContact CA-O 3.31Å; N183-I275 PolarHBondContact N-O 3.24Å; N183-I275 VanDerWaalsContact N-O 3.13Å; V240-I275 HydrophobicContact CG2-CD1 4.47Å; V240-I275 HydrophobicContact CG2-CG1 4.4Å; V240-I275 HydrophobicContact CG2-CG2 4.09Å; F250-I275 HydrophobicContact CB-CG1 3.92Å; L273-I275 HydrophobicContact CD1-CG1 4.13Å; L273-I275 HydrophobicContact CD2-CD1 4.27Å; L273-I275 HydrophobicContact CG-CD1 4.47Å; L273-I275 HydrophobicContact CG-CG1 4.26Å |
| 276 | R | 88.8 | Confident | 78 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 25% | 0.249 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.1 | 176.3 | -71.3 | -177.9 | 169 | -176.3 | -4.4 | 109.6 | G248 I249 K274 | G248-R276 WeakPolarHBondContact CA-O 3.37Å; I249-R276 HydrophobicContact CG1-CB 4.14Å; I249-R276 PolarHBondContact N-O 3.06Å; I249-R276 PolarHBondContact O-N 3.19Å; K274-R276 VanDerWaalsContact CE-NE 3.31Å; K274-R276 VanDerWaalsContact NZ-NH2 3.18Å |
| 277 | G | 86.3 | Confident | 77.1 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 155.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N183 L247 S279 S280 | N183-G277 PolarHBondContact O-N 3.28Å; L247-G277 CarbonylContact O-C 3.51Å; L247-G277 WeakPolarHBondContact O-CA 3.41Å; G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.02Å; G277-S280 WeakPolarHBondContact O-CB 3.19Å; G277-S280 PolarHBondContact O-N 3.09Å; G277-S280 PolarHBondContact O-OG 3.45Å |
| 278 | E | 77.3 | Confident | 76.4 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -55 | -37.7 | 179.9 | -173.4 | 177.2 | -154.2 | 0 | 0 | 113.2 | L247 S280 L281 | L247-E278 PolarHBondContact O-N 3.28Å; E278-S280 PolarHBondContact O-N 2.86Å; E278-S280 VanDerWaalsContact O-N 3.08Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 3.11Å |
| 279 | S | 67.9 | Low | 75.6 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59.8 | -20.1 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | G277 | G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.02Å |
| 280 | S | 61 | Low | 75 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -94.8 | -0.6 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | G277 E278 | G277-S280 WeakPolarHBondContact O-CB 3.19Å; G277-S280 PolarHBondContact O-N 3.09Å; G277-S280 PolarHBondContact O-OG 3.45Å; E278-S280 PolarHBondContact O-N 2.86Å; E278-S280 VanDerWaalsContact O-N 3.08Å |
| 281 | L | 64.6 | Low | 74.4 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -97.5 | 153.3 | 177 | -58.5 | 173.8 | 0 | 0 | 0 | 110.1 | I249 E278 L286 | I249-L281 HydrophobicContact CD1-CD2 3.92Å; I249-L281 HydrophobicContact CG1-CD1 4.43Å; I249-L281 HydrophobicContact CG1-CD2 4.27Å; I249-L281 HydrophobicContact CG2-CD1 4.4Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 3.11Å; L281-L286 HydrophobicContact CD1-CD2 3.51Å; L281-L286 HydrophobicContact CD1-CG 4.38Å |
| 282 | A | 59.9 | Low | 73.4 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 139.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G284 | A282-G284 PolarHBondContact O-N 3.18Š|
| 283 | P | 54.2 | Low | 72.4 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 88% | 0.883 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 128.9 | -177.9 | -20.5 | 30.1 | 0 | 0 | 0 | 111.9 | ||
| 284 | G | 56.8 | Low | 70.7 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -0.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A282 | A282-G284 PolarHBondContact O-N 3.18Š|
| 285 | T | 54.5 | Low | 68.9 | Low | 116 Ų | 116 | 73.6 Ų | 73.6 | 71% | 0.712 | 43% | 0.432 | S | S | * | . | trans | -157.7 | 119.6 | 167.9 | -32.3 | 0 | 0 | 0 | 0 | 111 | P287 | T285-P287 WeakPolarHBondContact O-CD 3.38Š| ||
| 286 | L | 59.7 | Low | 67.1 | Low | 68 Ų | 68 | 76.4 Ų | 76.4 | 36% | 0.356 | 45% | 0.454 | S | S | . | . | trans | -67.6 | 109.9 | 164.8 | -96.5 | 150.7 | 0 | 0 | 0 | 107.5 | C246 I249 L281 | C246-L286 HydrophobicContact CB-CD1 4.45Å; I249-L286 HydrophobicContact CG2-CD2 3.92Å; L281-L286 HydrophobicContact CD1-CD2 3.51Å; L281-L286 HydrophobicContact CD1-CG 4.38Å | ||
| 287 | P | 65.8 | Low | 65.6 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 42% | 0.416 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.9 | 179.2 | 26.5 | -32.4 | 0 | 0 | 0 | 109.3 | T285 P289 | T285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-P289 WeakPolarHBondContact O-CD 3.33Å; P287-P289 VanDerWaalsContact O-N 3.12Å |
| 288 | K | 74.5 | Confident | 64.2 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 121.3 | 174.5 | -175.1 | 170.2 | -178.1 | 170.5 | 0 | 108.3 | D218 A290 | D218-K288 WeakPolarHBondContact OD2-CE 3.22Å; D218-K288 IonicContact OD2-NZ 2.71Å; D218-K288 PolarHBondContact OD2-NZ 2.96Å; K288-A290 PolarHBondContact O-N 3.41Å; K288-A290 VanDerWaalsContact O-N 3.11Å |
| 289 | P | 77.7 | Confident | 62.9 | Low | 17 Ų | 17 | 77.8 Ų | 77.8 | 11% | 0.11 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 120.8 | -178 | -21.4 | 29.9 | 0 | 0 | 0 | 109.6 | N216 A237 G238 T239 I249 P287 | N216-P289 PolarHBondContact ND2-O 3.37Å; A237-P289 HydrophobicContact CB-CB 3.84Å; G238-P289 WeakPolarHBondContact O-CB 3.19Å; G238-P289 WeakPolarHBondContact O-CG 3.44Å; T239-P289 HydrophobicContact CG2-CG 3.71Å; I249-P289 HydrophobicContact CG2-CG 4.02Å; P287-P289 WeakPolarHBondContact O-CD 3.33Å; P287-P289 VanDerWaalsContact O-N 3.12Å |
| 290 | A | 75.9 | Confident | 62.3 | Low | 44 Ų | 44 | 75.4 Ų | 75.4 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | trans | -133.2 | 143 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110 | H220 A237 K288 | H220-A290 HydrophobicContact CB-CB 4.5Å; H220-A290 VanDerWaalsContact O-CA 3.26Å; H220-A290 WeakPolarHBondContact O-CA 3.44Å; A237-A290 VanDerWaalsContact CB-C 3.47Å; K288-A290 PolarHBondContact O-N 3.41Å; K288-A290 VanDerWaalsContact O-N 3.11Å | ||
| 291 | V | 77.1 | Confident | 61.9 | Low | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.048 | 44% | 0.439 | C | S | . | . | trans | -78 | 126.7 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | H220 G221 K223 G235 A237 F293 | H220-V291 PolarHBondContact O-N 3.21Å; H220-V291 VanDerWaalsContact O-N 3.13Å; G221-V291 WeakPolarHBondContact O-CG2 3.44Å; K223-V291 HydrophobicContact CB-CG1 4.28Å; K223-V291 HydrophobicContact CD-CB 4.16Å; K223-V291 HydrophobicContact CD-CG1 4.05Å; K223-V291 WeakPolarHBondContact CE-O 3.42Å; K223-V291 HydrophobicContact CG-CB 4.15Å; K223-V291 HydrophobicContact CG-CG1 4.29Å; K223-V291 PolarHBondContact NZ-O 3.34Å; G235-V291 WeakPolarHBondContact O-CG2 3.32Å; A237-V291 HydrophobicContact CB-CG2 3.86Å; V291-F293 HydrophobicContact CG1-CB 4Å | ||
| 292 | K | 72.7 | Confident | 61.2 | Low | 139 Ų | 139 | 76 Ų | 76 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | trans | -98.2 | -11.6 | -177.4 | -60.8 | -174.3 | 179.5 | -171.4 | 0 | 113.5 | E251 | E251-K292 PolarHBondContact OE1-N 3.38Š| ||
| 293 | F | 69.3 | Low | 60.3 | Low | 16 Ų | 16 | 76.9 Ų | 76.9 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | trans | -62.8 | 135 | 173.7 | 168.4 | -94 | 0 | 0 | 0 | 111.2 | K223 M233 I253 V291 D297 L298 F301 | K223-F293 PolarHBondContact NZ-O 3.09Å; M233-F293 HydrophobicContact CE-CD1 4.45Å; M233-F293 HydrophobicContact CE-CD2 4.11Å; M233-F293 HydrophobicContact CE-CE1 3.79Å; M233-F293 HydrophobicContact CE-CE2 3.33Å; M233-F293 HydrophobicContact CE-CZ 3.18Å; M233-F293 HydrophobicContact SD-CE1 4.37Å; M233-F293 HydrophobicContact SD-CE2 4.13Å; M233-F293 HydrophobicContact SD-CZ 3.6Å; I253-F293 HydrophobicContact CD1-CB 3.8Å; I253-F293 HydrophobicContact CD1-CD2 4.07Å; I253-F293 HydrophobicContact CD1-CG 4.11Å; V291-F293 HydrophobicContact CG1-CB 4Å; F293-D297 HydrophobicContact CD2-CB 3.33Å; F293-D297 HydrophobicContact CE2-CB 3.12Å; F293-D297 HydrophobicContact CG-CB 4.42Å; F293-D297 HydrophobicContact CZ-CB 4.04Å; F293-L298 HydrophobicContact CZ-CB 4.11Å; F293-L298 HydrophobicContact CZ-CD1 4.17Å; F293-F301 HydrophobicContact CD2-CD2 4.38Å; F293-F301 AromaticContact CD2-CE2 3.73Å; F293-F301 HydrophobicContact CD2-CE2 3.73Å; F293-F301 AromaticContact CE2-CD2 3.62Å; F293-F301 HydrophobicContact CE2-CD2 3.62Å; F293-F301 AromaticContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CE2-CE2 3.44Å; F293-F301 VanDerWaalsContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CZ-CD2 4.49Å | ||
| 294 | E | 58.6 | Low | 59.8 | Low | 103 Ų | 103 | 74 Ų | 74 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | trans | -111.1 | 157.9 | 178.3 | -69.2 | -56.6 | 143 | 0 | 0 | 111.5 | K223 S296 D297 | K223-E294 IonicContact NZ-OE1 2.98Å; K223-E294 PolarHBondContact NZ-OE1 3.44Å; K223-E294 IonicContact NZ-OE2 3.94Å; E294-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact O-N 3.12Å; E294-D297 PolarHBondContact N-OD2 3.4Å; E294-D297 VanDerWaalsContact O-CB 3.31Å; E294-D297 WeakPolarHBondContact O-CB 3.36Å; E294-D297 PolarHBondContact O-N 2.7Å | ||
| 295 | Q | 54 | Low | 59.1 | Low | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.8 | -177.2 | -168.9 | 167.3 | 4.6 | 0 | 0 | 113.2 | D297 L298 | Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 3.46Å; Q295-L298 WeakPolarHBondContact O-CB 3.24Å; Q295-L298 PolarHBondContact O-N 3.42Å |
| 296 | S | 52.6 | Low | 58.3 | Low | 82 Ų | 82 | 73.3 Ų | 73.3 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29 | 173.1 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | E294 L298 E299 | E294-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact O-N 3.12Å; S296-L298 PolarHBondContact O-N 3.13Å; S296-E299 PolarHBondContact O-N 2.8Å |
| 297 | D | 57.6 | Low | 57.1 | Low | 64 Ų | 64 | 75.8 Ų | 75.8 | 34% | 0.342 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -19.4 | 177.7 | -63.4 | -33.6 | 0 | 0 | 0 | 110.9 | F293 E294 Q295 E299 A300 F301 | F293-D297 HydrophobicContact CD2-CB 3.33Å; F293-D297 HydrophobicContact CE2-CB 3.12Å; F293-D297 HydrophobicContact CG-CB 4.42Å; F293-D297 HydrophobicContact CZ-CB 4.04Å; E294-D297 PolarHBondContact N-OD2 3.4Å; E294-D297 VanDerWaalsContact O-CB 3.31Å; E294-D297 WeakPolarHBondContact O-CB 3.36Å; E294-D297 PolarHBondContact O-N 2.7Å; Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 3.46Å; D297-E299 VanDerWaalsContact C-N 3.3Å; D297-E299 PolarHBondContact O-N 2.66Å; D297-A300 WeakPolarHBondContact O-CB 3.31Å; D297-A300 PolarHBondContact O-N 3.33Å; D297-A300 VanDerWaalsContact O-N 3.14Å; D297-F301 HydrophobicContact CB-CD2 4.44Å; D297-F301 HydrophobicContact CB-CE2 4.12Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 2.95Å |
| 298 | L | 55.9 | Low | 55.5 | Low | 16 Ų | 16 | 76.6 Ų | 76.6 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 175.7 | -154.8 | 117.9 | 0 | 0 | 0 | 111.2 | A225 M233 F293 Q295 S296 F301 Y302 | A225-L298 HydrophobicContact CB-CD1 3.46Å; A225-L298 VanDerWaalsContact CB-CD1 3.46Å; M233-L298 HydrophobicContact CB-CD1 3.98Å; M233-L298 HydrophobicContact CG-CD1 3.79Å; M233-L298 HydrophobicContact CG-CG 4.42Å; M233-L298 HydrophobicContact SD-CB 4.23Å; M233-L298 HydrophobicContact SD-CD1 3.43Å; M233-L298 WeakPolarHBondContact SD-CD1 3.31Å; M233-L298 HydrophobicContact SD-CG 3.66Å; F293-L298 HydrophobicContact CZ-CB 4.11Å; F293-L298 HydrophobicContact CZ-CD1 4.17Å; Q295-L298 WeakPolarHBondContact O-CB 3.24Å; Q295-L298 PolarHBondContact O-N 3.42Å; S296-L298 PolarHBondContact O-N 3.13Å; L298-F301 PolarHBondContact O-N 2.77Å; L298-Y302 HydrophobicContact CD2-CD2 4.31Å; L298-Y302 HydrophobicContact CD2-CE2 3.98Å; L298-Y302 VanDerWaalsContact O-CD2 3.27Å; L298-Y302 WeakPolarHBondContact O-CD2 3.33Å; L298-Y302 PolarHBondContact O-N 3.17Å; L298-Y302 VanDerWaalsContact O-N 3.12Å |
| 299 | E | 51.2 | Low | 53.4 | Low | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67 | -34.7 | 176.6 | -66.6 | -176.9 | 174.1 | 0 | 0 | 112.3 | S296 D297 Y302 N303 | S296-E299 PolarHBondContact O-N 2.8Å; D297-E299 VanDerWaalsContact C-N 3.3Å; D297-E299 PolarHBondContact O-N 2.66Å; E299-Y302 WeakPolarHBondContact O-CB 3.31Å; E299-Y302 PolarHBondContact O-N 2.75Å; E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 3.01Å |
| 300 | A | 54 | Low | 51.1 | Low | 55 Ų | 55 | 78.5 Ų | 78.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D297 Y302 N303 V304 | D297-A300 WeakPolarHBondContact O-CB 3.31Å; D297-A300 PolarHBondContact O-N 3.33Å; D297-A300 VanDerWaalsContact O-N 3.14Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.37Å; A300-N303 PolarHBondContact O-N 3Å; A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 2.68Å |
| 301 | F | 53.6 | Low | 49 | Very low | 48 Ų | 48 | 82.1 Ų | 82.1 | 21% | 0.211 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 174.8 | -73.3 | -65.3 | 0 | 0 | 0 | 112.8 | M233 F270 N272 F293 D297 L298 V304 I305 | M233-F301 HydrophobicContact CE-CD2 3.74Å; M233-F301 HydrophobicContact CE-CE2 4.13Å; M233-F301 HydrophobicContact CE-CG 4.4Å; M233-F301 HydrophobicContact SD-CB 4.49Å; M233-F301 HydrophobicContact SD-CD2 4.18Å; F270-F301 HydrophobicContact CE2-CD1 4.44Å; F270-F301 HydrophobicContact CZ-CB 4.44Å; N272-F301 WeakPolarHBondContact ND2-CE1 3.32Å; N272-F301 WeakPolarHBondContact ND2-CZ 3.37Å; F293-F301 HydrophobicContact CD2-CD2 4.38Å; F293-F301 AromaticContact CD2-CE2 3.73Å; F293-F301 HydrophobicContact CD2-CE2 3.73Å; F293-F301 AromaticContact CE2-CD2 3.62Å; F293-F301 HydrophobicContact CE2-CD2 3.62Å; F293-F301 AromaticContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CE2-CE2 3.44Å; F293-F301 VanDerWaalsContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CZ-CD2 4.49Å; D297-F301 HydrophobicContact CB-CD2 4.44Å; D297-F301 HydrophobicContact CB-CE2 4.12Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 2.95Å; L298-F301 PolarHBondContact O-N 2.77Å; F301-V304 PolarHBondContact O-N 3.47Å; F301-I305 WeakPolarHBondContact O-CG1 3.18Å; F301-I305 PolarHBondContact O-N 3.46Å |
| 302 | Y | 49.3 | Very low | 46.7 | Very low | 52 Ų | 52 | 91.2 Ų | 91.2 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 171.5 | -98.6 | -74.1 | 0 | 0 | 0 | 113 | S227 L231 L298 E299 A300 V304 I305 T306 | S227-Y302 VanDerWaalsContact CB-CE2 3.48Å; S227-Y302 WeakPolarHBondContact CB-OH 3.31Å; S227-Y302 PolarHBondContact OG-OH 3.25Å; L231-Y302 HydrophobicContact CD2-CE2 4.15Å; L298-Y302 HydrophobicContact CD2-CD2 4.31Å; L298-Y302 HydrophobicContact CD2-CE2 3.98Å; L298-Y302 VanDerWaalsContact O-CD2 3.27Å; L298-Y302 WeakPolarHBondContact O-CD2 3.33Å; L298-Y302 PolarHBondContact O-N 3.17Å; L298-Y302 VanDerWaalsContact O-N 3.12Å; E299-Y302 WeakPolarHBondContact O-CB 3.31Å; E299-Y302 PolarHBondContact O-N 2.75Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.37Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 2.62Å; Y302-I305 PolarHBondContact O-N 3.14Å; Y302-T306 PolarHBondContact O-N 3.2Å; Y302-T306 VanDerWaalsContact O-N 3.14Å; Y302-T306 PolarHBondContact O-OG1 3.19Å |
| 303 | N | 42 | Very low | 44.8 | Very low | 99 Ų | 99 | 90.3 Ų | 90.3 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | -179.2 | -70.1 | -33 | 0 | 0 | 0 | 112.4 | E299 A300 T306 L307 | E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 3.01Å; A300-N303 PolarHBondContact O-N 3Å; N303-T306 PolarHBondContact O-N 2.94Å; N303-L307 WeakPolarHBondContact O-CB 3.45Å; N303-L307 WeakPolarHBondContact O-CD1 3.5Å; N303-L307 PolarHBondContact O-N 3.18Å |
| 304 | V | 43.1 | Very low | 42.8 | Very low | 76 Ų | 76 | 101.1 Ų | 101.1 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.6 | -36.3 | 176.6 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | A300 F301 Y302 T306 C308 | A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 2.68Å; F301-V304 PolarHBondContact O-N 3.47Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 2.62Å; V304-T306 VanDerWaalsContact C-N 3.31Å; V304-C308 PolarHBondContact O-N 2.98Å |
| 305 | I | 43.3 | Very low | 41.7 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68 | -35.2 | 174.5 | -65.9 | 171.5 | 0 | 0 | 0 | 110.5 | F270 F301 Y302 | F270-I305 HydrophobicContact CD1-CD1 3.85Å; F270-I305 HydrophobicContact CE1-CD1 3.8Å; F301-I305 WeakPolarHBondContact O-CG1 3.18Å; F301-I305 PolarHBondContact O-N 3.46Å; Y302-I305 PolarHBondContact O-N 3.14Å |
| 306 | T | 36.7 | Very low | 40.4 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.7 | -37 | -177.8 | -43 | 0 | 0 | 0 | 0 | 112.8 | Y302 N303 V304 | Y302-T306 PolarHBondContact O-N 3.2Å; Y302-T306 VanDerWaalsContact O-N 3.14Å; Y302-T306 PolarHBondContact O-OG1 3.19Å; N303-T306 PolarHBondContact O-N 2.94Å; V304-T306 VanDerWaalsContact C-N 3.31Å |
| 307 | L | 33.8 | Very low | 39.4 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.7 | -22.1 | -180 | -99.3 | 90.1 | 0 | 0 | 0 | 114.6 | N303 G309 T310 | N303-L307 WeakPolarHBondContact O-CB 3.45Å; N303-L307 WeakPolarHBondContact O-CD1 3.5Å; N303-L307 PolarHBondContact O-N 3.18Å; L307-G309 PolarHBondContact O-N 3.06Å; L307-T310 PolarHBondContact O-N 3.28Å; L307-T310 PolarHBondContact O-OG1 2.95Å |
| 308 | C | 32.4 | Very low | 38.1 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 55% | 0.547 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | 2.7 | 179.1 | -89.1 | 0 | 0 | 0 | 0 | 114.6 | K177 V304 T310 | K177-C308 VanDerWaalsContact NZ-CB 3.32Å; K177-C308 PolarHBondContact NZ-SG 2.72Å; V304-C308 PolarHBondContact O-N 2.98Å; C308-T310 VanDerWaalsContact C-N 3.35Å |
| 309 | G | 31.8 | Very low | 36.9 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L307 | L307-G309 PolarHBondContact O-N 3.06Š|
| 310 | T | 28.2 | Very low | 35.8 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -128.1 | 102.5 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | L307 C308 E312 | L307-T310 PolarHBondContact O-N 3.28Å; L307-T310 PolarHBondContact O-OG1 2.95Å; C308-T310 VanDerWaalsContact C-N 3.35Å; T310-E312 PolarHBondContact O-N 3.2Å |
| 311 | S | 31.1 | Very low | 34.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | -68.5 | 104.8 | 165.1 | -47.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 312 | E | 29.8 | Very low | 33.7 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | trans | -167.5 | 137.6 | 139 | -106.8 | 174.2 | -157 | 0 | 0 | 112 | T310 | T310-E312 PolarHBondContact O-N 3.2Š| ||
| 313 | V | 33.1 | Very low | 32.7 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -70.1 | 140.6 | -169.4 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 314 | R | 26.6 | Very low | 32.1 | Very low | 243 Ų | 243 | 136.9 Ų | 136.9 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -162.4 | 123.4 | 130.6 | -107 | 167.1 | -160 | -163.5 | 5.7 | 112.7 | ||||
| 315 | H | 34.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -38.4 | 131.6 | 159.8 | -75.1 | -98 | 0 | 0 | 0 | 112.1 | ||||
| 316 | N | 27.7 | Very low | 30.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -169.6 | 83.6 | 139 | -95.1 | -21.5 | 0 | 0 | 0 | 109.9 | ||||
| 317 | V | 30.8 | Very low | 30.8 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -128.9 | 79.9 | 151.1 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 318 | K | 30.8 | Very low | 31 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -134.1 | 133.9 | 155.7 | -156.8 | 176.3 | -176.7 | -179.9 | 0 | 107 | ||||
| 319 | Q | 31.2 | Very low | 31.1 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | 82.6 | 72.6 | 178.1 | -66.8 | 176.2 | -28.5 | 0 | 0 | 116.8 | ||||
| 320 | F | 27 | Very low | 31.1 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 88% | 0.882 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -133.5 | 52.7 | 138.3 | -144.6 | -85.9 | 0 | 0 | 0 | 109.6 | ||
| 321 | L | 32 | Very low | 31.2 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 88% | 0.88 | 85% | 0.851 | S | S | * | * | trans | -151.3 | 73.1 | 168.7 | -89.9 | 166.7 | 0 | 0 | 0 | 106 | ||||
| 322 | D | 31.4 | Very low | 31.2 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 90% | 0.898 | 85% | 0.852 | S | S | * | * | trans | -159.5 | 85.6 | 144.2 | -127.2 | -3.2 | 0 | 0 | 0 | 108.8 | ||||
| 323 | S | 30.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | trans | -147.1 | 106.5 | 162.3 | 62.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 324 | G | 28.7 | Very low | 31.2 | Very low | 66 Ų | 66 | 158.5 Ų | 158.5 | 68% | 0.68 | 86% | 0.855 | S | S | * | * | trans | 105.4 | 127.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 325 | T | 32.7 | Very low | 31.5 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 91% | 0.914 | 85% | 0.85 | S | S | * | * | cis | -173.7 | 150 | 23.9 | -29.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 326 | G | 28.9 | Very low | 31.3 | Very low | 70 Ų | 70 | 151.9 Ų | 151.9 | 72% | 0.722 | 86% | 0.856 | S | S | * | * | trans | 81.9 | 150 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 327 | D | 34.3 | Very low | 31.5 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 86% | 0.857 | S | S | * | * | cis | -173 | 152.7 | 2.5 | -141.8 | 7 | 0 | 0 | 0 | 106.6 | ||||
| 328 | Q | 36.7 | Very low | 31.6 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 77% | 0.766 | 85% | 0.85 | S | S | * | * | trans | 45.2 | 114.6 | 152 | -61.6 | 176 | 62.1 | 0 | 0 | 120.5 | ||||
| 329 | V | 35.4 | Very low | 31.7 | Very low | 221 Ų | 221 | 147.6 Ų | 147.6 | 100% | 1.339 | 85% | 0.852 | S | S | * | * | -157.6 | 0 | 103.1 | 171.9 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 329 of 329 residues in 260.3 ms
(Link to these results)