| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.6 | Very low | 78.4 | Confident | 209 Ų | 209 | 94.1 Ų | 94.1 | 100% | 1.03 | 56% | 0.563 | S | S | * | * | 0 | -41.1 | 0 | -69.1 | -144.3 | -69.9 | 0 | 0 | 112.7 | D3 A4 A5 | M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.33Å; M1-A5 PolarHBondContact O-N 3.46Å | |||
| 2 | A | 56.6 | Low | 79.6 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.7 | -38.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A5 S6 | A2-A5 PolarHBondContact O-N 2.92Å; A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 2.93Å |
| 3 | D | 76 | Confident | 80.7 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 67% | 0.668 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.7 | -39.5 | -178.7 | -53.9 | -39.2 | 0 | 0 | 0 | 113.2 | M1 S6 Q7 | M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.48Å; D3-S6 PolarHBondContact O-N 3.21Å; D3-Q7 WeakPolarHBondContact O-CB 3.44Å; D3-Q7 WeakPolarHBondContact O-CG 3.17Å; D3-Q7 PolarHBondContact O-N 3.31Å |
| 4 | A | 74.6 | Confident | 81.5 | Confident | 52 Ų | 52 | 87.1 Ų | 87.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 Q7 V8 | M1-A4 PolarHBondContact O-N 3.33Å; A4-Q7 PolarHBondContact O-N 3.42Å; A4-V8 WeakPolarHBondContact O-CB 3.48Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.45Å; A4-V8 PolarHBondContact O-N 3.18Å |
| 5 | A | 81.8 | Confident | 82.4 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A2 V8 L9 | M1-A5 PolarHBondContact O-N 3.46Å; A2-A5 PolarHBondContact O-N 2.92Å; A5-V8 PolarHBondContact O-N 3.14Å; A5-L9 WeakPolarHBondContact O-CB 3.47Å; A5-L9 PolarHBondContact O-N 3.5Å |
| 6 | S | 85.4 | Confident | 83.2 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.4 | -174 | 0 | 0 | 0 | 0 | 112 | A2 D3 V8 L9 L10 | A2-S6 WeakPolarHBondContact O-CB 3.48Å; A2-S6 PolarHBondContact O-N 2.93Å; D3-S6 PolarHBondContact O-N 3.21Å; S6-V8 PolarHBondContact O-N 3.28Å; S6-L9 PolarHBondContact O-N 3.04Å; S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 2.9Å |
| 7 | Q | 83.4 | Confident | 83.9 | Confident | 125 Ų | 125 | 85.2 Ų | 85.2 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 176.2 | -76.1 | -175.2 | -10.2 | 0 | 0 | 112.5 | D3 A4 G11 | D3-Q7 WeakPolarHBondContact O-CB 3.44Å; D3-Q7 WeakPolarHBondContact O-CG 3.17Å; D3-Q7 PolarHBondContact O-N 3.31Å; A4-Q7 PolarHBondContact O-N 3.42Å; Q7-G11 PolarHBondContact O-N 2.91Å |
| 8 | V | 88.7 | Confident | 84.4 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 22% | 0.218 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.3 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | A4 A5 S6 G11 S12 V82 T85 | A4-V8 WeakPolarHBondContact O-CB 3.48Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.45Å; A4-V8 PolarHBondContact O-N 3.18Å; A5-V8 PolarHBondContact O-N 3.14Å; S6-V8 PolarHBondContact O-N 3.28Å; V8-G11 PolarHBondContact O-N 3.02Å; V8-S12 VanDerWaalsContact O-CB 3.26Å; V8-S12 WeakPolarHBondContact O-CB 3.34Å; V8-S12 PolarHBondContact O-N 2.79Å; V8-S12 PolarHBondContact O-OG 3.17Å; V8-V82 HydrophobicContact CG1-CG2 3.85Å; V8-T85 HydrophobicContact CG2-CG2 4.02Å |
| 9 | L | 90.2 | Very high | 85 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63 | -49.5 | 178.4 | -168 | 97 | 0 | 0 | 0 | 111.1 | A5 S6 S12 G13 | A5-L9 WeakPolarHBondContact O-CB 3.47Å; A5-L9 PolarHBondContact O-N 3.5Å; S6-L9 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-N 3.4Å; L9-G13 PolarHBondContact O-N 2.98Å |
| 10 | L | 90 | Very high | 85.5 | Confident | 118 Ų | 118 | 75.3 Ų | 75.3 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 177.7 | -70.9 | 172 | 0 | 0 | 0 | 111.5 | S6 S12 G13 L14 | S6-L10 WeakPolarHBondContact O-CB 3.39Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 2.9Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.49Å; L10-G13 PolarHBondContact O-N 3.29Å; L10-L14 PolarHBondContact O-N 3.46Å |
| 11 | G | 88.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q7 V8 T15 | Q7-G11 PolarHBondContact O-N 2.91Å; V8-G11 PolarHBondContact O-N 3.02Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.48Å; G11-T15 PolarHBondContact O-OG1 3.34Å |
| 12 | S | 92.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 22% | 0.217 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | V8 L9 L10 L14 T15 I16 | V8-S12 VanDerWaalsContact O-CB 3.26Å; V8-S12 WeakPolarHBondContact O-CB 3.34Å; V8-S12 PolarHBondContact O-N 2.79Å; V8-S12 PolarHBondContact O-OG 3.17Å; L9-S12 PolarHBondContact O-N 3.4Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.49Å; S12-L14 PolarHBondContact O-N 3.26Å; S12-T15 WeakPolarHBondContact O-CB 3.39Å; S12-T15 PolarHBondContact O-N 3.01Å; S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.47Å; S12-I16 PolarHBondContact O-N 3.46Å |
| 13 | G | 93.8 | Very high | 90 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 L10 T15 I16 L17 | L9-G13 PolarHBondContact O-N 2.98Å; L10-G13 PolarHBondContact O-N 3.29Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.03Å; G13-I16 PolarHBondContact O-N 2.85Å; G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 2.95Å |
| 14 | L | 92.9 | Very high | 90.9 | Very high | 121 Ų | 121 | 57.6 Ų | 57.6 | 63% | 0.634 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.1 | -35.8 | 176.7 | -174.2 | 64.3 | 0 | 0 | 0 | 112.3 | L10 S12 L17 S18 | L10-L14 PolarHBondContact O-N 3.46Å; S12-L14 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 2.89Å |
| 15 | T | 94.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | G11 S12 G13 S18 Q19 L74 R77 L78 | G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.48Å; G11-T15 PolarHBondContact O-OG1 3.34Å; S12-T15 WeakPolarHBondContact O-CB 3.39Å; S12-T15 PolarHBondContact O-N 3.01Å; G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.03Å; T15-S18 PolarHBondContact O-N 3.12Å; T15-S18 PolarHBondContact O-OG 3.41Å; T15-Q19 PolarHBondContact O-N 3.11Å; T15-L74 HydrophobicContact CG2-CD1 4.19Å; T15-R77 HydrophobicContact CG2-CB 4.33Å; T15-R77 HydrophobicContact CG2-CG 3.74Å; T15-L78 HydrophobicContact CG2-CD2 3.93Å |
| 16 | I | 95.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 36% | 0.359 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 176.9 | -66.3 | 164 | 0 | 0 | 0 | 110.3 | S12 G13 S18 Q19 F71 L74 L78 | S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.47Å; S12-I16 PolarHBondContact O-N 3.46Å; G13-I16 PolarHBondContact O-N 2.85Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.34Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.47Å; I16-F71 HydrophobicContact CG2-CE1 4.14Å; I16-L74 HydrophobicContact CG1-CD1 4.04Å; I16-L74 HydrophobicContact CG1-CD2 4.18Å; I16-L78 HydrophobicContact CG1-CD2 4.33Å |
| 17 | L | 94.7 | Very high | 93 | Very high | 136 Ų | 136 | 52 Ų | 52 | 71% | 0.712 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | -179.7 | -69.3 | 173.2 | 0 | 0 | 0 | 112.6 | G13 L14 | G13-L17 WeakPolarHBondContact O-CG 3.27Å; G13-L17 PolarHBondContact O-N 2.95Å; L14-L17 PolarHBondContact O-N 2.97Å |
| 18 | S | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85 | -4.1 | -179.6 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | L14 T15 I16 L21 M22 R77 | L14-S18 VanDerWaalsContact O-CB 3.26Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-S18 PolarHBondContact O-OG 2.89Å; T15-S18 PolarHBondContact O-N 3.12Å; T15-S18 PolarHBondContact O-OG 3.41Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.34Å; S18-L21 WeakPolarHBondContact O-CB 3.38Å; S18-L21 PolarHBondContact O-N 2.91Å; S18-M22 PolarHBondContact O-N 3.26Å; S18-R77 PolarHBondContact OG-NH2 2.95Å |
| 19 | Q | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | -175.7 | -174.1 | 68.1 | 3.1 | 0 | 0 | 113.6 | T15 I16 L21 M22 Y23 F71 T72 L74 | T15-Q19 PolarHBondContact O-N 3.11Å; I16-Q19 WeakPolarHBondContact O-CB 3.48Å; I16-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.13Å; Q19-M22 PolarHBondContact O-N 3.32Å; Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 2.86Å; Q19-F71 HydrophobicContact CB-CD1 4.1Å; Q19-F71 HydrophobicContact CG-CD1 4.21Å; Q19-T72 PolarHBondContact NE2-O 3.37Å; Q19-L74 HydrophobicContact CB-CD1 4.19Å; Q19-L74 HydrophobicContact CG-CB 4.27Å; Q19-L74 HydrophobicContact CG-CD1 4.15Å |
| 20 | P | 94.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 177.8 | -24.2 | 36.1 | 0 | 0 | 0 | 112.7 | Y23 V24 L70 F71 | P20-Y23 PolarHBondContact O-N 3.12Å; P20-V24 WeakPolarHBondContact O-CG2 3.47Å; P20-V24 PolarHBondContact O-N 3.38Å; P20-V24 VanDerWaalsContact O-N 3.15Å; P20-L70 HydrophobicContact CB-CB 4.31Å; P20-L70 HydrophobicContact CB-CD1 4.5Å; P20-L70 HydrophobicContact CB-CD2 4.31Å; P20-L70 HydrophobicContact CG-CB 4.27Å; P20-F71 HydrophobicContact CG-CE1 4.39Å; P20-F71 HydrophobicContact CG-CZ 4.37Å |
| 21 | L | 94.3 | Very high | 93.7 | Very high | 76 Ų | 76 | 34.1 Ų | 34.1 | 40% | 0.398 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 177.5 | -55.9 | -177.4 | 0 | 0 | 0 | 111.3 | S18 Q19 Y23 K25 L54 | S18-L21 WeakPolarHBondContact O-CB 3.38Å; S18-L21 PolarHBondContact O-N 2.91Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.13Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; L21-Y23 PolarHBondContact O-N 3.39Å; L21-K25 VanDerWaalsContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CB 3.31Å; L21-K25 PolarHBondContact O-N 3.3Å; L21-L54 HydrophobicContact CD2-CD1 3.75Å; L21-L54 HydrophobicContact CD2-CD2 3.18Å; L21-L54 HydrophobicContact CD2-CG 3.98Å |
| 22 | M | 94.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 179.1 | -176.1 | 60.4 | -178.2 | 0 | 0 | 111.1 | S18 Q19 K25 V26 L146 M149 | S18-M22 PolarHBondContact O-N 3.26Å; Q19-M22 PolarHBondContact O-N 3.32Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3Å; M22-V26 HydrophobicContact CE-CG2 3.65Å; M22-V26 HydrophobicContact CG-CG2 4.4Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.44Å; M22-V26 PolarHBondContact O-N 3.48Å; M22-V26 HydrophobicContact SD-CG2 4.23Å; M22-L146 HydrophobicContact CE-CD2 4.36Å; M22-M149 HydrophobicContact CG-CE 4.11Å |
| 23 | Y | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 179.8 | -173.3 | -174.4 | 0 | 0 | 0 | 111.7 | Q19 P20 L21 K25 V26 L27 I61 G69 M149 F152 | Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 2.86Å; P20-Y23 PolarHBondContact O-N 3.12Å; L21-Y23 VanDerWaalsContact C-N 3.32Å; L21-Y23 PolarHBondContact O-N 3.39Å; Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.03Å; Y23-V26 PolarHBondContact O-N 3.38Å; Y23-L27 HydrophobicContact CD2-CD1 4.04Å; Y23-L27 HydrophobicContact CD2-CG 3.99Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.12Å; Y23-L27 HydrophobicContact CE2-CG 3.81Å; Y23-L27 PolarHBondContact O-N 3.23Å; Y23-L27 VanDerWaalsContact O-N 3.12Å; Y23-I61 HydrophobicContact CD1-CD1 4.44Å; Y23-I61 HydrophobicContact CD1-CG2 4.35Å; Y23-I61 HydrophobicContact CE1-CD1 4.41Å; Y23-I61 HydrophobicContact CE1-CG2 3.67Å; Y23-G69 VanDerWaalsContact CE1-O 3.22Å; Y23-G69 WeakPolarHBondContact CE1-O 3.44Å; Y23-M149 HydrophobicContact CD2-CB 3.57Å; Y23-M149 HydrophobicContact CD2-CG 3.6Å; Y23-M149 HydrophobicContact CD2-SD 4.33Å; Y23-M149 HydrophobicContact CE2-CB 3.68Å; Y23-M149 HydrophobicContact CE2-CG 4.07Å; Y23-M149 VanDerWaalsContact CE2-O 3.27Å; Y23-M149 WeakPolarHBondContact CE2-O 3.34Å; Y23-M149 HydrophobicContact CG-CG 4.09Å; Y23-F152 HydrophobicContact CE2-CB 4.45Å; Y23-F152 WeakPolarHBondContact OH-CB 3.29Å; Y23-F152 WeakPolarHBondContact OH-CD2 3.2Å; Y23-F152 WeakPolarHBondContact OH-CG 3.33Å |
| 24 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -41.7 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | P20 V26 L27 I28 L54 Y57 A58 I61 | P20-V24 WeakPolarHBondContact O-CG2 3.47Å; P20-V24 PolarHBondContact O-N 3.38Å; P20-V24 VanDerWaalsContact O-N 3.15Å; V24-V26 PolarHBondContact O-N 3.38Å; V24-L27 PolarHBondContact O-N 2.86Å; V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.38Å; V24-I28 VanDerWaalsContact O-CG1 3.32Å; V24-I28 WeakPolarHBondContact O-CG1 3.28Å; V24-I28 PolarHBondContact O-N 3.35Å; V24-L54 HydrophobicContact CB-CD1 3.74Å; V24-L54 HydrophobicContact CG1-CD1 3.8Å; V24-L54 HydrophobicContact CG2-CD1 4.05Å; V24-Y57 HydrophobicContact CG1-CD1 3.95Å; V24-Y57 HydrophobicContact CG1-CG 4.02Å; V24-A58 HydrophobicContact CG2-CB 4.04Å; V24-I61 HydrophobicContact CG2-CD1 3.8Å |
| 25 | K | 95.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 24% | 0.243 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 177.1 | -175.6 | 174.6 | -174.4 | 176.8 | 0 | 112 | L21 M22 Y23 L27 I28 Q29 G281 L284 | L21-K25 VanDerWaalsContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CB 3.31Å; L21-K25 PolarHBondContact O-N 3.3Å; M22-K25 WeakPolarHBondContact O-CB 3.33Å; M22-K25 PolarHBondContact O-N 3Å; Y23-K25 VanDerWaalsContact C-N 3.27Å; Y23-K25 PolarHBondContact O-N 3.03Å; K25-L27 PolarHBondContact O-N 2.93Å; K25-I28 PolarHBondContact O-N 2.6Å; K25-Q29 HydrophobicContact CG-CG 4.37Å; K25-Q29 WeakPolarHBondContact O-CB 3.49Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; K25-G281 WeakPolarHBondContact CE-O 3.41Å; K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.8Å; K25-L284 HydrophobicContact CG-CD2 4.06Å |
| 26 | V | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | -179.2 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | M22 Y23 V24 I28 Q29 V30 L146 M149 V150 | M22-V26 HydrophobicContact CE-CG2 3.65Å; M22-V26 HydrophobicContact CG-CG2 4.4Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.44Å; M22-V26 PolarHBondContact O-N 3.48Å; M22-V26 HydrophobicContact SD-CG2 4.23Å; Y23-V26 PolarHBondContact O-N 3.38Å; V24-V26 PolarHBondContact O-N 3.38Å; V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 PolarHBondContact O-N 3.23Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.98Å; V26-Q29 VanDerWaalsContact O-N 3.15Å; V26-V30 PolarHBondContact O-N 3.23Å; V26-L146 HydrophobicContact CB-CD2 4.3Å; V26-L146 HydrophobicContact CG1-CD2 3.81Å; V26-L146 HydrophobicContact CG2-CD2 3.44Å; V26-L146 VanDerWaalsContact CG2-CD2 3.44Å; V26-M149 HydrophobicContact CB-SD 4Å; V26-M149 HydrophobicContact CG1-CB 4.16Å; V26-M149 HydrophobicContact CG1-SD 4.28Å; V26-M149 HydrophobicContact CG2-SD 3.81Å; V26-V150 HydrophobicContact CG1-CG2 3.94Å |
| 27 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.8 | -67.5 | -176.5 | 0 | 0 | 0 | 112.4 | Y23 V24 K25 V30 G31 Y32 I61 F152 I153 | Y23-L27 HydrophobicContact CD2-CD1 4.04Å; Y23-L27 HydrophobicContact CD2-CG 3.99Å; Y23-L27 HydrophobicContact CE2-CD1 3.63Å; Y23-L27 HydrophobicContact CE2-CD2 4.12Å; Y23-L27 HydrophobicContact CE2-CG 3.81Å; Y23-L27 PolarHBondContact O-N 3.23Å; Y23-L27 VanDerWaalsContact O-N 3.12Å; V24-L27 PolarHBondContact O-N 2.86Å; K25-L27 PolarHBondContact O-N 2.93Å; L27-V30 WeakPolarHBondContact O-CG2 3.41Å; L27-V30 PolarHBondContact O-N 3.01Å; L27-G31 PolarHBondContact O-N 2.82Å; L27-Y32 HydrophobicContact CB-CD1 4.35Å; L27-Y32 HydrophobicContact CD1-CD1 4.35Å; L27-Y32 WeakPolarHBondContact O-CB 3.37Å; L27-Y32 PolarHBondContact O-N 2.89Å; L27-I61 HydrophobicContact CD1-CD1 3.78Å; L27-I61 HydrophobicContact CD1-CG1 4.28Å; L27-F152 HydrophobicContact CD1-CD1 3.82Å; L27-F152 HydrophobicContact CD1-CE1 4.4Å; L27-I153 HydrophobicContact CD2-CD1 4.09Å; L27-I153 HydrophobicContact CD2-CG1 3.97Å |
| 28 | I | 93.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.5 | -67.5 | 164.9 | 0 | 0 | 0 | 110.8 | V24 K25 V26 V30 G31 Y57 R280 L284 | V24-I28 HydrophobicContact CG1-CD1 3.61Å; V24-I28 HydrophobicContact CG1-CG1 4.38Å; V24-I28 VanDerWaalsContact O-CG1 3.32Å; V24-I28 WeakPolarHBondContact O-CG1 3.28Å; V24-I28 PolarHBondContact O-N 3.35Å; K25-I28 PolarHBondContact O-N 2.6Å; V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 PolarHBondContact O-N 3.23Å; I28-V30 VanDerWaalsContact C-N 3.34Å; I28-V30 PolarHBondContact O-N 3.26Å; I28-G31 WeakPolarHBondContact O-CA 3.47Å; I28-G31 PolarHBondContact O-N 3.48Å; I28-Y57 HydrophobicContact CG1-CE1 4.06Å; I28-R280 VanDerWaalsContact O-CD 3.23Å; I28-R280 WeakPolarHBondContact O-CD 3.05Å; I28-R280 WeakPolarHBondContact O-CG 3.11Å; I28-L284 HydrophobicContact CD1-CD2 3.79Å |
| 29 | Q | 94 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.8 | -77 | -177.3 | -40.7 | 0 | 0 | 112 | K25 V26 G31 Y235 L239 N242 L243 R280 | K25-Q29 HydrophobicContact CG-CG 4.37Å; K25-Q29 WeakPolarHBondContact O-CB 3.49Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.98Å; V26-Q29 VanDerWaalsContact O-N 3.15Å; Q29-G31 PolarHBondContact O-N 3.24Å; Q29-Y235 PolarHBondContact NE2-OH 3.22Å; Q29-L239 HydrophobicContact CB-CD1 3.73Å; Q29-L239 HydrophobicContact CG-CD1 3.76Å; Q29-N242 PolarHBondContact OE1-ND2 3.43Å; Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; Q29-R280 WeakPolarHBondContact O-CD 3.29Å |
| 30 | V | 91.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.7 | -8.4 | 175.4 | -56 | 0 | 0 | 0 | 0 | 113.3 | V26 L27 I28 V150 I153 L243 V246 | V26-V30 PolarHBondContact O-N 3.23Å; L27-V30 WeakPolarHBondContact O-CG2 3.41Å; L27-V30 PolarHBondContact O-N 3.01Å; I28-V30 VanDerWaalsContact C-N 3.34Å; I28-V30 PolarHBondContact O-N 3.26Å; V30-V150 HydrophobicContact CG1-CG2 3.87Å; V30-V150 HydrophobicContact CG2-CG2 4.34Å; V30-I153 HydrophobicContact CG2-CD1 3.59Å; V30-L243 HydrophobicContact CB-CD2 4.43Å; V30-L243 HydrophobicContact CG1-CD2 4.25Å; V30-V246 HydrophobicContact CG1-CG2 3.72Å |
| 31 | G | 89.1 | Confident | 90.1 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 16.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L27 I28 Q29 E33 | L27-G31 PolarHBondContact O-N 2.82Å; I28-G31 WeakPolarHBondContact O-CA 3.47Å; I28-G31 PolarHBondContact O-N 3.48Å; Q29-G31 PolarHBondContact O-N 3.24Å; G31-E33 PolarHBondContact O-N 3.47Å |
| 32 | Y | 91.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 40 Ų | 40 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | trans | -77.2 | 111.2 | 176.8 | 179.2 | -114.7 | 0 | 0 | 0 | 111.1 | L27 P34 Y57 F152 I153 | L27-Y32 HydrophobicContact CB-CD1 4.35Å; L27-Y32 HydrophobicContact CD1-CD1 4.35Å; L27-Y32 WeakPolarHBondContact O-CB 3.37Å; L27-Y32 PolarHBondContact O-N 2.89Å; Y32-P34 HydrophobicContact CD1-CG 4.09Å; Y32-P34 HydrophobicContact CE1-CB 3.88Å; Y32-P34 HydrophobicContact CE1-CG 3.51Å; Y32-P34 HydrophobicContact CE2-CB 4.32Å; Y32-Y57 PolarHBondContact O-OH 2.79Å; Y32-F152 HydrophobicContact CE1-CD1 4Å; Y32-F152 AromaticContact CE1-CE1 3.93Å; Y32-F152 HydrophobicContact CE1-CE1 3.93Å; Y32-I153 HydrophobicContact CD1-CG1 4Å; Y32-I153 HydrophobicContact CD2-CB 4.19Å; Y32-I153 HydrophobicContact CD2-CD1 4.16Å; Y32-I153 HydrophobicContact CD2-CG1 3.74Å; Y32-I153 HydrophobicContact CD2-CG2 3.67Å; Y32-I153 HydrophobicContact CE1-CG1 4.42Å; Y32-I153 HydrophobicContact CE2-CB 4.33Å; Y32-I153 HydrophobicContact CE2-CG1 4.2Å; Y32-I153 HydrophobicContact CE2-CG2 3.87Å; Y32-I153 HydrophobicContact CG-CD1 3.88Å; Y32-I153 HydrophobicContact CG-CG1 3.62Å; Y32-I153 HydrophobicContact CG-CG2 4.43Å | ||
| 33 | E | 89.8 | Confident | 88.8 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | trans | -121.3 | 81.7 | -179.5 | -57.4 | -63.7 | 143.5 | 0 | 0 | 112.5 | G31 Y57 R287 | G31-E33 PolarHBondContact O-N 3.47Å; E33-Y57 VanDerWaalsContact CA-OH 3.22Å; E33-Y57 WeakPolarHBondContact CA-OH 3.49Å; E33-Y57 PolarHBondContact OE1-OH 3.32Å; E33-Y57 PolarHBondContact OE2-OH 3.33Å; E33-R287 IonicContact OE1-CZ 3.32Å; E33-R287 IonicContact OE1-NH1 3.04Å; E33-R287 IonicContact OE1-NH2 2.73Å; E33-R287 PolarHBondContact OE1-NH2 3.48Å; E33-R287 IonicContact OE2-CZ 3.17Å; E33-R287 VanDerWaalsContact OE2-CZ 3.31Å; E33-R287 IonicContact OE2-NH1 3.72Å; E33-R287 PolarHBondContact OE2-NH1 2.98Å; E33-R287 IonicContact OE2-NH2 3.48Å; E33-R287 PolarHBondContact OE2-NH2 3.31Å | ||
| 34 | P | 86.6 | Confident | 88.3 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -78.4 | -22.1 | -175.4 | 30.7 | -33.8 | 0 | 0 | 0 | 114 | Y32 Y57 | Y32-P34 HydrophobicContact CD1-CG 4.09Å; Y32-P34 HydrophobicContact CE1-CB 3.88Å; Y32-P34 HydrophobicContact CE1-CG 3.51Å; Y32-P34 HydrophobicContact CE2-CB 4.32Å; P34-Y57 VanDerWaalsContact CD-CZ 3.49Å; P34-Y57 WeakPolarHBondContact CD-OH 3.48Å; P34-Y57 HydrophobicContact CG-CE1 4.33Å | ||
| 35 | L | 88.4 | Confident | 87.6 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -103.5 | 134.8 | -175.7 | -65.9 | 176.2 | 0 | 0 | 0 | 109.8 | P52 Y57 H60 | L35-P52 HydrophobicContact CB-CB 4.28Å; L35-P52 HydrophobicContact CB-CG 3.39Å; L35-P52 HydrophobicContact CD1-CB 4.02Å; L35-P52 HydrophobicContact CD1-CG 3.97Å; L35-P52 HydrophobicContact CG-CG 4.33Å; L35-Y57 HydrophobicContact CD1-CD2 4.31Å; L35-H60 HydrophobicContact CD1-CB 4.14Å |
| 36 | P | 86.1 | Confident | 87 | Confident | 94 Ų | 94 | 62 Ų | 62 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 151.5 | 179.7 | 28.7 | -34.9 | 0 | 0 | 0 | 110.9 | ||
| 37 | P | 86.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66 | 152.3 | 174.1 | 30.8 | -35.4 | 0 | 0 | 0 | 110.5 | C49 Q50 L51 V289 Y295 C297 | P37-C49 VanDerWaalsContact CB-SG 3.59Å; P37-Q50 CarbonylContact C-O 3.56Å; P37-Q50 VanDerWaalsContact CA-O 3.31Å; P37-Q50 WeakPolarHBondContact CA-O 3.11Å; P37-Q50 WeakPolarHBondContact CB-O 3.33Å; P37-L51 HydrophobicContact CB-CD2 4.2Å; P37-V289 HydrophobicContact CB-CG2 3.97Å; P37-Y295 HydrophobicContact CG-CD1 3.78Å; P37-Y295 HydrophobicContact CG-CG 3.9Å; P37-C297 HydrophobicContact CG-CB 4.46Å; P37-C297 PolarHBondContact O-SG 2.96Å |
| 38 | T | 84.3 | Confident | 85.8 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 153.2 | 178.8 | 58 | 0 | 0 | 0 | 0 | 110.4 | G40 Q50 | T38-G40 PolarHBondContact O-N 3.2Å; T38-Q50 PolarHBondContact N-O 3.23Å; T38-Q50 PolarHBondContact O-N 3.44Å |
| 39 | I | 83.6 | Confident | 85.3 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 42% | 0.415 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.4 | 175.4 | -59.3 | 175.2 | 0 | 0 | 0 | 107.4 | Q47 | I39-Q47 HydrophobicContact CG2-CB 4.47Å; I39-Q47 HydrophobicContact CG2-CG 4.39Å |
| 40 | G | 81.4 | Confident | 84.9 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T38 Q47 V48 | T38-G40 PolarHBondContact O-N 3.2Å; G40-Q47 WeakPolarHBondContact O-CA 3.36Å; G40-V48 PolarHBondContact N-O 2.73Å; G40-V48 PolarHBondContact O-N 3.03Å |
| 41 | R | 82 | Confident | 84.7 | Confident | 187 Ų | 187 | 72.9 Ų | 72.9 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.9 | 167.6 | -66 | -174.2 | -178.2 | -163.5 | -0.6 | 109.3 | R46 | R41-R46 CarbonylContact C-O 3.57Å; R41-R46 WeakPolarHBondContact CA-O 3.23Å |
| 42 | N | 80.5 | Confident | 84.7 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | trans | -76.8 | 175.5 | 170.3 | 74.2 | 3.5 | 0 | 0 | 0 | 110.9 | F44 G45 R46 V48 | N42-F44 PolarHBondContact O-N 3.07Å; N42-F44 VanDerWaalsContact O-N 3.09Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.48Å; N42-F44 WeakPolarHBondContact OD1-CB 3.12Å; N42-F44 PolarHBondContact OD1-N 3.49Å; N42-G45 PolarHBondContact O-N 3.25Å; N42-G45 PolarHBondContact OD1-N 2.86Å; N42-R46 PolarHBondContact N-O 3.33Å; N42-R46 PolarHBondContact OD1-N 3.07Å; N42-V48 HydrophobicContact CB-CG2 4.02Å | ||
| 43 | I | 81.1 | Confident | 84.6 | Confident | 152 Ų | 152 | 71.1 Ų | 71.1 | 78% | 0.779 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.1 | 176.9 | -58.7 | 172.7 | 0 | 0 | 0 | 111.8 | ||
| 44 | F | 84.6 | Confident | 84.6 | Confident | 175 Ų | 175 | 68.6 Ų | 68.6 | 77% | 0.768 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 13.5 | 177.6 | -58.3 | -80 | 0 | 0 | 0 | 113.6 | N42 R46 | N42-F44 PolarHBondContact O-N 3.07Å; N42-F44 VanDerWaalsContact O-N 3.09Å; N42-F44 VanDerWaalsContact OD1-CA 3.24Å; N42-F44 WeakPolarHBondContact OD1-CA 3.48Å; N42-F44 WeakPolarHBondContact OD1-CB 3.12Å; N42-F44 PolarHBondContact OD1-N 3.49Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.02Å |
| 45 | G | 80.2 | Confident | 84.9 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 74.8 | -0.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | N42 | N42-G45 PolarHBondContact O-N 3.25Å; N42-G45 PolarHBondContact OD1-N 2.86Å |
| 46 | R | 83.7 | Confident | 85.1 | Confident | 185 Ų | 185 | 74.2 Ų | 74.2 | 70% | 0.698 | 38% | 0.381 | S | S | * | . | trans | -74.6 | 138.3 | 177.4 | -57.3 | -174.5 | 179.7 | 179.8 | -1.3 | 111 | R41 N42 F44 V48 | R41-R46 CarbonylContact C-O 3.57Å; R41-R46 WeakPolarHBondContact CA-O 3.23Å; N42-R46 PolarHBondContact N-O 3.33Å; N42-R46 PolarHBondContact OD1-N 3.07Å; F44-R46 VanDerWaalsContact C-N 3.27Å; F44-R46 PolarHBondContact O-N 3.02Å; R46-V48 PolarHBondContact O-N 3.33Å | ||
| 47 | Q | 82.4 | Confident | 85.4 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.7 | 172 | -77.5 | 179.2 | -23 | 0 | 0 | 110.3 | I39 G40 | I39-Q47 HydrophobicContact CG2-CB 4.47Å; I39-Q47 HydrophobicContact CG2-CG 4.39Å; G40-Q47 WeakPolarHBondContact O-CA 3.36Å |
| 48 | V | 81.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.6 | 177.8 | -74.3 | 0 | 0 | 0 | 0 | 109.1 | G40 N42 R46 Q50 | G40-V48 PolarHBondContact N-O 2.73Å; G40-V48 PolarHBondContact O-N 3.03Å; N42-V48 HydrophobicContact CB-CG2 4.02Å; R46-V48 PolarHBondContact O-N 3.33Å; V48-Q50 HydrophobicContact CB-CG 4.49Å; V48-Q50 HydrophobicContact CG2-CG 3.79Å; V48-Q50 PolarHBondContact O-N 2.57Å |
| 49 | C | 83.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 119.8 | 169.6 | -159.4 | 0 | 0 | 0 | 0 | 108.9 | P37 V289 C297 M301 | P37-C49 VanDerWaalsContact CB-SG 3.59Å; C49-V289 HydrophobicContact CB-CG2 4.05Å; C49-C297 WeakPolarHBondContact SG-CB 3.39Å; C49-M301 HydrophobicContact CB-CE 3.99Å |
| 50 | Q | 86.3 | Confident | 86.7 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.9 | -175.9 | -67.8 | 179.5 | -9.1 | 0 | 0 | 110 | P37 T38 V48 R287 | P37-Q50 CarbonylContact C-O 3.56Å; P37-Q50 VanDerWaalsContact CA-O 3.31Å; P37-Q50 WeakPolarHBondContact CA-O 3.11Å; P37-Q50 WeakPolarHBondContact CB-O 3.33Å; T38-Q50 PolarHBondContact N-O 3.23Å; T38-Q50 PolarHBondContact O-N 3.44Å; V48-Q50 HydrophobicContact CB-CG 4.49Å; V48-Q50 HydrophobicContact CG2-CG 3.79Å; V48-Q50 PolarHBondContact O-N 2.57Å; Q50-R287 WeakPolarHBondContact CA-O 3.34Å |
| 51 | L | 87.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 150.4 | 168.7 | -72.8 | 166.7 | 0 | 0 | 0 | 109.2 | P37 G53 R287 V289 | P37-L51 HydrophobicContact CB-CD2 4.2Å; L51-G53 PolarHBondContact O-N 3.04Å; L51-R287 HydrophobicContact CB-CB 3.77Å; L51-R287 PolarHBondContact N-O 3.44Å; L51-V289 HydrophobicContact CG-CG2 4.15Å |
| 52 | P | 87.6 | Confident | 87.9 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.9 | -178.7 | 10.3 | -13.8 | 0 | 0 | 0 | 110.8 | L35 Y57 R287 | L35-P52 HydrophobicContact CB-CB 4.28Å; L35-P52 HydrophobicContact CB-CG 3.39Å; L35-P52 HydrophobicContact CD1-CB 4.02Å; L35-P52 HydrophobicContact CD1-CG 3.97Å; L35-P52 HydrophobicContact CG-CG 4.33Å; P52-Y57 HydrophobicContact CB-CD2 4.26Å; P52-Y57 HydrophobicContact CG-CD2 4.17Å; P52-Y57 HydrophobicContact CG-CE2 4Å; P52-R287 PolarHBondContact O-NH1 3.35Å; P52-R287 VanDerWaalsContact O-NH1 3.1Å |
| 53 | G | 88.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 F55 S56 Y57 L284 | L51-G53 PolarHBondContact O-N 3.04Å; G53-F55 VanDerWaalsContact C-N 3.29Å; G53-F55 PolarHBondContact O-N 2.92Å; G53-S56 PolarHBondContact O-N 3.29Å; G53-Y57 PolarHBondContact O-N 2.54Å; G53-Y57 VanDerWaalsContact O-N 3.17Å; G53-L284 CarbonylContact C-O 3.56Å; G53-L284 WeakPolarHBondContact CA-O 3.46Å |
| 54 | L | 91.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -41.2 | -51.7 | 177.8 | 172.9 | 71.4 | 0 | 0 | 0 | 114 | L21 V24 Y57 A58 L284 F285 | L21-L54 HydrophobicContact CD2-CD1 3.75Å; L21-L54 HydrophobicContact CD2-CD2 3.18Å; L21-L54 HydrophobicContact CD2-CG 3.98Å; V24-L54 HydrophobicContact CB-CD1 3.74Å; V24-L54 HydrophobicContact CG1-CD1 3.8Å; V24-L54 HydrophobicContact CG2-CD1 4.05Å; L54-Y57 WeakPolarHBondContact O-CB 3.24Å; L54-Y57 PolarHBondContact O-N 3.37Å; L54-A58 WeakPolarHBondContact O-CB 3.33Å; L54-A58 PolarHBondContact O-N 2.9Å; L54-L284 HydrophobicContact CB-CB 4.17Å; L54-L284 HydrophobicContact CD1-CB 4.48Å; L54-L284 HydrophobicContact CD1-CD1 4.36Å; L54-L284 PolarHBondContact N-O 2.96Å; L54-F285 HydrophobicContact CB-CD1 4.32Å; L54-F285 HydrophobicContact CB-CE1 4.25Å; L54-F285 HydrophobicContact CD2-CD1 4.36Å; L54-F285 HydrophobicContact CD2-CE1 3.51Å; L54-F285 HydrophobicContact CD2-CE2 4.35Å; L54-F285 HydrophobicContact CD2-CZ 3.5Å; L54-F285 VanDerWaalsContact CD2-CZ 3.5Å |
| 55 | F | 92.4 | Very high | 89.5 | Confident | 146 Ų | 146 | 54.4 Ų | 54.4 | 64% | 0.64 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.3 | -40.9 | -171.7 | -63.4 | -65.6 | 0 | 0 | 0 | 112.4 | G53 Y57 A58 Q59 F285 | G53-F55 VanDerWaalsContact C-N 3.29Å; G53-F55 PolarHBondContact O-N 2.92Å; F55-Y57 VanDerWaalsContact C-N 3.28Å; F55-Y57 PolarHBondContact O-N 3.37Å; F55-A58 PolarHBondContact O-N 2.93Å; F55-Q59 VanDerWaalsContact O-CB 3.29Å; F55-Q59 WeakPolarHBondContact O-CB 3.32Å; F55-Q59 PolarHBondContact O-N 3.23Å; F55-F285 HydrophobicContact CD2-CE1 4.37Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.62Å; F55-F285 HydrophobicContact CE2-CE1 3.62Å; F55-F285 AromaticContact CZ-CE1 3.95Å; F55-F285 HydrophobicContact CZ-CE1 3.95Å |
| 56 | S | 91.8 | Very high | 90.2 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | G53 H60 | G53-S56 PolarHBondContact O-N 3.29Å; S56-H60 WeakPolarHBondContact O-CB 3.22Å; S56-H60 PolarHBondContact O-N 3.24Å |
| 57 | Y | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 173.2 | -113.2 | -106 | 0 | 0 | 0 | 113 | V24 I28 Y32 E33 P34 L35 P52 G53 L54 F55 Q59 H60 I61 R287 | V24-Y57 HydrophobicContact CG1-CD1 3.95Å; V24-Y57 HydrophobicContact CG1-CG 4.02Å; I28-Y57 HydrophobicContact CG1-CE1 4.06Å; Y32-Y57 PolarHBondContact O-OH 2.79Å; E33-Y57 VanDerWaalsContact CA-OH 3.22Å; E33-Y57 WeakPolarHBondContact CA-OH 3.49Å; E33-Y57 PolarHBondContact OE1-OH 3.32Å; E33-Y57 PolarHBondContact OE2-OH 3.33Å; P34-Y57 VanDerWaalsContact CD-CZ 3.49Å; P34-Y57 WeakPolarHBondContact CD-OH 3.48Å; P34-Y57 HydrophobicContact CG-CE1 4.33Å; L35-Y57 HydrophobicContact CD1-CD2 4.31Å; P52-Y57 HydrophobicContact CB-CD2 4.26Å; P52-Y57 HydrophobicContact CG-CD2 4.17Å; P52-Y57 HydrophobicContact CG-CE2 4Å; G53-Y57 PolarHBondContact O-N 2.54Å; G53-Y57 VanDerWaalsContact O-N 3.17Å; L54-Y57 WeakPolarHBondContact O-CB 3.24Å; L54-Y57 PolarHBondContact O-N 3.37Å; F55-Y57 VanDerWaalsContact C-N 3.28Å; F55-Y57 PolarHBondContact O-N 3.37Å; Y57-Q59 VanDerWaalsContact C-N 3.29Å; Y57-Q59 PolarHBondContact O-N 2.91Å; Y57-H60 WeakPolarHBondContact O-CB 3.38Å; Y57-H60 PolarHBondContact O-N 2.91Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 2.93Å; Y57-R287 VanDerWaalsContact CE2-NH1 3.34Å |
| 58 | A | 93.9 | Very high | 91 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | V24 L54 F55 I61 A62 L70 | V24-A58 HydrophobicContact CG2-CB 4.04Å; L54-A58 WeakPolarHBondContact O-CB 3.33Å; L54-A58 PolarHBondContact O-N 2.9Å; F55-A58 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.07Å; A58-A62 VanDerWaalsContact O-CB 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.46Å; A58-A62 PolarHBondContact O-N 2.87Å; A58-L70 HydrophobicContact CB-CD2 4.11Å |
| 59 | Q | 94.6 | Very high | 91.3 | Very high | 143 Ų | 143 | 58.3 Ų | 58.3 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 174.4 | -175.1 | 177.8 | 1 | 0 | 0 | 111.4 | F55 Y57 A62 S63 | F55-Q59 VanDerWaalsContact O-CB 3.29Å; F55-Q59 WeakPolarHBondContact O-CB 3.32Å; F55-Q59 PolarHBondContact O-N 3.23Å; Y57-Q59 VanDerWaalsContact C-N 3.29Å; Y57-Q59 PolarHBondContact O-N 2.91Å; Q59-A62 PolarHBondContact O-N 3.19Å; Q59-S63 WeakPolarHBondContact O-CB 3.4Å; Q59-S63 PolarHBondContact O-N 3.32Å |
| 60 | H | 93.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 174.7 | 177.4 | 72.8 | 0 | 0 | 0 | 111.7 | L35 S56 Y57 A62 S63 I64 | L35-H60 HydrophobicContact CD1-CB 4.14Å; S56-H60 WeakPolarHBondContact O-CB 3.22Å; S56-H60 PolarHBondContact O-N 3.24Å; Y57-H60 WeakPolarHBondContact O-CB 3.38Å; Y57-H60 PolarHBondContact O-N 2.91Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3.41Å; H60-S63 PolarHBondContact O-N 2.7Å; H60-S63 PolarHBondContact O-OG 3.13Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.44Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.24Å; H60-I64 PolarHBondContact O-N 3.36Å |
| 61 | I | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 174.6 | -62.8 | 165.2 | 0 | 0 | 0 | 110.6 | Y23 V24 L27 Y57 A58 S63 I64 D65 L70 F152 | Y23-I61 HydrophobicContact CD1-CD1 4.44Å; Y23-I61 HydrophobicContact CD1-CG2 4.35Å; Y23-I61 HydrophobicContact CE1-CD1 4.41Å; Y23-I61 HydrophobicContact CE1-CG2 3.67Å; V24-I61 HydrophobicContact CG2-CD1 3.8Å; L27-I61 HydrophobicContact CD1-CD1 3.78Å; L27-I61 HydrophobicContact CD1-CG1 4.28Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.07Å; I61-S63 PolarHBondContact O-N 3.32Å; I61-I64 PolarHBondContact O-N 3.44Å; I61-I64 VanDerWaalsContact O-N 3.09Å; I61-D65 PolarHBondContact O-N 3.4Å; I61-L70 HydrophobicContact CB-CD2 4.02Å; I61-L70 HydrophobicContact CD1-CD2 4.38Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.47Å; I61-F152 HydrophobicContact CB-CZ 4.3Å; I61-F152 HydrophobicContact CG1-CE1 4.03Å; I61-F152 HydrophobicContact CG1-CZ 4.03Å; I61-F152 HydrophobicContact CG2-CE2 4.21Å; I61-F152 HydrophobicContact CG2-CZ 4.37Å |
| 62 | A | 95.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 62 Ų | 62 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -26.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A58 Q59 H60 I64 G66 L70 | A58-A62 VanDerWaalsContact O-CB 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.46Å; A58-A62 PolarHBondContact O-N 2.87Å; Q59-A62 PolarHBondContact O-N 3.19Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3.41Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-G66 CarbonylContact O-C 3.27Å; A62-G66 VanDerWaalsContact O-C 3.27Å; A62-G66 WeakPolarHBondContact O-CA 3.37Å; A62-G66 PolarHBondContact O-N 3.24Å; A62-L70 HydrophobicContact CB-CD1 4.06Å; A62-L70 HydrophobicContact CB-CG 4.37Å |
| 63 | S | 95 | Very high | 92.7 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.5 | -27.1 | 174.8 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | Q59 H60 I61 | Q59-S63 WeakPolarHBondContact O-CB 3.4Å; Q59-S63 PolarHBondContact O-N 3.32Å; H60-S63 PolarHBondContact O-N 2.7Å; H60-S63 PolarHBondContact O-OG 3.13Å; I61-S63 PolarHBondContact O-N 3.32Å |
| 64 | I | 93.1 | Very high | 93 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -92.3 | -50.5 | -177 | -67.9 | 173.2 | 0 | 0 | 0 | 111.4 | H60 I61 A62 F152 R155 | H60-I64 WeakPolarHBondContact CE1-CD1 3.44Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.39Å; H60-I64 WeakPolarHBondContact O-CG1 3.24Å; H60-I64 PolarHBondContact O-N 3.36Å; I61-I64 PolarHBondContact O-N 3.44Å; I61-I64 VanDerWaalsContact O-N 3.09Å; A62-I64 VanDerWaalsContact C-N 3.33Å; I64-F152 HydrophobicContact CB-CE2 4.07Å; I64-F152 HydrophobicContact CB-CZ 4.1Å; I64-F152 HydrophobicContact CD1-CZ 3.86Å; I64-F152 HydrophobicContact CG2-CE2 3.81Å; I64-F152 HydrophobicContact CG2-CZ 4.13Å; I64-R155 VanDerWaalsContact CG2-NH2 3.35Å |
| 65 | D | 91.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -104 | 6.1 | -176.6 | -74.3 | -14.4 | 0 | 0 | 0 | 113.8 | I61 F152 R155 | I61-D65 PolarHBondContact O-N 3.4Å; D65-F152 WeakPolarHBondContact OD2-CD2 3.48Å; D65-F152 WeakPolarHBondContact OD2-CE2 3.34Å; D65-R155 IonicContact OD1-CZ 3.79Å; D65-R155 IonicContact OD1-NH1 3.55Å; D65-R155 PolarHBondContact OD1-NH1 3.32Å; D65-R155 IonicContact OD1-NH2 3.35Å; D65-R155 PolarHBondContact OD1-NH2 3.07Å; D65-R155 IonicContact OD2-NH1 3.04Å; D65-R155 PolarHBondContact OD2-NH1 3.42Å |
| 66 | G | 93.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | 71.6 | 172.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A62 R68 G69 | A62-G66 CarbonylContact O-C 3.27Å; A62-G66 VanDerWaalsContact O-C 3.27Å; A62-G66 WeakPolarHBondContact O-CA 3.37Å; A62-G66 PolarHBondContact O-N 3.24Å; G66-R68 PolarHBondContact O-N 3.42Å; G66-G69 PolarHBondContact O-N 2.66Å |
| 67 | R | 91.8 | Very high | 93.4 | Very high | 213 Ų | 213 | 59.6 Ų | 59.6 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.8 | -25.4 | -179.3 | -63.8 | 177.9 | 68.8 | 179.1 | 1.9 | 113.5 | G69 | R67-G69 VanDerWaalsContact C-N 3.34Å |
| 68 | R | 90.8 | Very high | 93.6 | Very high | 231 Ų | 231 | 61.7 Ų | 61.7 | 87% | 0.872 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.1 | -28.6 | 175.7 | -68 | -177.1 | 179.5 | 175.7 | 0.1 | 112 | G66 L70 F71 | G66-R68 PolarHBondContact O-N 3.42Å; R68-L70 PolarHBondContact O-N 2.93Å; R68-F71 PolarHBondContact O-N 2.91Å |
| 69 | G | 89.3 | Confident | 93.6 | Very high | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -28.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y23 G66 R67 F71 T72 | Y23-G69 VanDerWaalsContact CE1-O 3.22Å; Y23-G69 WeakPolarHBondContact CE1-O 3.44Å; G66-G69 PolarHBondContact O-N 2.66Å; R67-G69 VanDerWaalsContact C-N 3.34Å; G69-F71 PolarHBondContact O-N 3.49Å; G69-T72 WeakPolarHBondContact O-CB 3.44Å; G69-T72 PolarHBondContact O-N 3.42Å; G69-T72 PolarHBondContact O-OG1 3.39Å |
| 70 | L | 93.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.12 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.2 | 175 | -73.9 | 172 | 0 | 0 | 0 | 113.9 | P20 A58 I61 A62 R68 | P20-L70 HydrophobicContact CB-CB 4.31Å; P20-L70 HydrophobicContact CB-CD1 4.5Å; P20-L70 HydrophobicContact CB-CD2 4.31Å; P20-L70 HydrophobicContact CG-CB 4.27Å; A58-L70 HydrophobicContact CB-CD2 4.11Å; I61-L70 HydrophobicContact CB-CD2 4.02Å; I61-L70 HydrophobicContact CD1-CD2 4.38Å; I61-L70 HydrophobicContact CG2-CD2 3.89Å; I61-L70 HydrophobicContact CG2-CG 4.47Å; A62-L70 HydrophobicContact CB-CD1 4.06Å; A62-L70 HydrophobicContact CB-CG 4.37Å; R68-L70 PolarHBondContact O-N 2.93Å |
| 71 | F | 94.6 | Very high | 93.6 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.373 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 12.3 | 178.1 | -60.4 | -84.9 | 0 | 0 | 0 | 113.1 | I16 Q19 P20 R68 G69 G73 L74 | I16-F71 HydrophobicContact CG2-CE1 4.14Å; Q19-F71 HydrophobicContact CB-CD1 4.1Å; Q19-F71 HydrophobicContact CG-CD1 4.21Å; P20-F71 HydrophobicContact CG-CE1 4.39Å; P20-F71 HydrophobicContact CG-CZ 4.37Å; R68-F71 PolarHBondContact O-N 2.91Å; G69-F71 PolarHBondContact O-N 3.49Å; F71-G73 PolarHBondContact O-N 2.95Å; F71-L74 HydrophobicContact CB-CB 4.42Å; F71-L74 HydrophobicContact CB-CD2 4.3Å; F71-L74 HydrophobicContact CD1-CD2 4.11Å; F71-L74 WeakPolarHBondContact O-CB 3.49Å; F71-L74 PolarHBondContact O-N 2.94Å |
| 72 | T | 92.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 136.4 | 171.5 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | Q19 G69 L74 S148 | Q19-T72 PolarHBondContact NE2-O 3.37Å; G69-T72 WeakPolarHBondContact O-CB 3.44Å; G69-T72 PolarHBondContact O-N 3.42Å; G69-T72 PolarHBondContact O-OG1 3.39Å; T72-L74 VanDerWaalsContact C-N 3.28Å; T72-L74 PolarHBondContact O-N 3.22Å; T72-S148 WeakPolarHBondContact CG2-O 3.22Å |
| 73 | G | 92.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F71 P76 R77 T145 | F71-G73 PolarHBondContact O-N 2.95Å; G73-P76 WeakPolarHBondContact O-CD 3.41Å; G73-P76 VanDerWaalsContact O-CG 3.31Å; G73-P76 WeakPolarHBondContact O-CG 2.94Å; G73-R77 WeakPolarHBondContact O-CB 3.44Å; G73-R77 PolarHBondContact O-N 3.33Å; G73-T145 WeakPolarHBondContact O-CG2 3.34Å |
| 74 | L | 94.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 179.3 | 178.5 | 64.4 | 0 | 0 | 0 | 112.4 | T15 I16 Q19 F71 T72 R77 L78 | T15-L74 HydrophobicContact CG2-CD1 4.19Å; I16-L74 HydrophobicContact CG1-CD1 4.04Å; I16-L74 HydrophobicContact CG1-CD2 4.18Å; Q19-L74 HydrophobicContact CB-CD1 4.19Å; Q19-L74 HydrophobicContact CG-CB 4.27Å; Q19-L74 HydrophobicContact CG-CD1 4.15Å; F71-L74 HydrophobicContact CB-CB 4.42Å; F71-L74 HydrophobicContact CB-CD2 4.3Å; F71-L74 HydrophobicContact CD1-CD2 4.11Å; F71-L74 WeakPolarHBondContact O-CB 3.49Å; F71-L74 PolarHBondContact O-N 2.94Å; T72-L74 VanDerWaalsContact C-N 3.28Å; T72-L74 PolarHBondContact O-N 3.22Å; L74-R77 WeakPolarHBondContact O-CB 3.45Å; L74-R77 PolarHBondContact O-N 3.16Å; L74-L78 HydrophobicContact CD1-CD1 4.16Å; L74-L78 HydrophobicContact CD1-CD2 4.41Å; L74-L78 HydrophobicContact CD1-CG 4Å; L74-L78 HydrophobicContact CD2-CD1 4.38Å; L74-L78 HydrophobicContact CG-CD1 3.9Å; L74-L78 HydrophobicContact CG-CG 4.17Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å |
| 75 | T | 94.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.6 | -56.4 | -178.9 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | R77 L78 C79 L162 | T75-R77 PolarHBondContact O-N 3.33Å; T75-L78 PolarHBondContact O-N 3.04Å; T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.04Å; T75-C79 VanDerWaalsContact O-SG 3.38Å; T75-L162 HydrophobicContact CG2-CB 4.49Å |
| 76 | P | 95.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 176.6 | 20.7 | -32 | 0 | 0 | 0 | 112.1 | G73 C79 S80 I144 T145 L162 | G73-P76 WeakPolarHBondContact O-CD 3.41Å; G73-P76 VanDerWaalsContact O-CG 3.31Å; G73-P76 WeakPolarHBondContact O-CG 2.94Å; P76-C79 PolarHBondContact O-N 3.47Å; P76-S80 WeakPolarHBondContact O-CB 3.25Å; P76-S80 PolarHBondContact O-N 2.98Å; P76-I144 HydrophobicContact CB-CB 4.22Å; P76-I144 HydrophobicContact CB-CG2 3.94Å; P76-I144 HydrophobicContact CG-CG2 3.99Å; P76-T145 WeakPolarHBondContact CB-OG1 3.2Å; P76-T145 WeakPolarHBondContact CG-OG1 3.13Å; P76-L162 HydrophobicContact CB-CD1 3.91Å |
| 77 | R | 95.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 58 Ų | 58 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.5 | -164.6 | 179 | 176.4 | -157.1 | -9.1 | 113 | T15 S18 G73 L74 T75 S80 G81 T145 | T15-R77 HydrophobicContact CG2-CB 4.33Å; T15-R77 HydrophobicContact CG2-CG 3.74Å; S18-R77 PolarHBondContact OG-NH2 2.95Å; G73-R77 WeakPolarHBondContact O-CB 3.44Å; G73-R77 PolarHBondContact O-N 3.33Å; L74-R77 WeakPolarHBondContact O-CB 3.45Å; L74-R77 PolarHBondContact O-N 3.16Å; T75-R77 PolarHBondContact O-N 3.33Å; R77-S80 WeakPolarHBondContact O-CB 3.39Å; R77-S80 PolarHBondContact O-N 3.23Å; R77-G81 PolarHBondContact O-N 3.32Å; R77-T145 HydrophobicContact CB-CG2 4.08Å; R77-T145 PolarHBondContact N-OG1 2.94Å |
| 78 | L | 96.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 50 Ų | 50 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 174.2 | -71.7 | 175.5 | 0 | 0 | 0 | 111.2 | T15 I16 L74 T75 S80 G81 V82 | T15-L78 HydrophobicContact CG2-CD2 3.93Å; I16-L78 HydrophobicContact CG1-CD2 4.33Å; L74-L78 HydrophobicContact CD1-CD1 4.16Å; L74-L78 HydrophobicContact CD1-CD2 4.41Å; L74-L78 HydrophobicContact CD1-CG 4Å; L74-L78 HydrophobicContact CD2-CD1 4.38Å; L74-L78 HydrophobicContact CG-CD1 3.9Å; L74-L78 HydrophobicContact CG-CG 4.17Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å; T75-L78 PolarHBondContact O-N 3.04Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.91Å; L78-G81 PolarHBondContact O-N 3.37Å; L78-G81 VanDerWaalsContact O-N 3.13Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.46Å |
| 79 | C | 94.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 28% | 0.284 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -44.9 | 174.2 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | T75 P76 G81 V82 L83 F141 | T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.04Å; T75-C79 VanDerWaalsContact O-SG 3.38Å; P76-C79 PolarHBondContact O-N 3.47Å; C79-G81 VanDerWaalsContact C-N 3.34Å; C79-G81 PolarHBondContact O-N 3.29Å; C79-V82 PolarHBondContact O-N 3.5Å; C79-L83 WeakPolarHBondContact O-CB 3.37Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.03Å; C79-F141 HydrophobicContact CB-CD1 3.87Å; C79-F141 HydrophobicContact CB-CE1 3.89Å |
| 80 | S | 94.5 | Very high | 94 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 174 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | P76 R77 L78 G84 T138 | P76-S80 WeakPolarHBondContact O-CB 3.25Å; P76-S80 PolarHBondContact O-N 2.98Å; R77-S80 WeakPolarHBondContact O-CB 3.39Å; R77-S80 PolarHBondContact O-N 3.23Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.91Å; S80-G84 PolarHBondContact O-N 3.28Å; S80-T138 WeakPolarHBondContact O-CG2 3.41Å; S80-T138 WeakPolarHBondContact OG-CB 3.39Å |
| 81 | G | 93.1 | Very high | 94 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R77 L78 C79 T85 | R77-G81 PolarHBondContact O-N 3.32Å; L78-G81 PolarHBondContact O-N 3.37Å; L78-G81 VanDerWaalsContact O-N 3.13Å; C79-G81 VanDerWaalsContact C-N 3.34Å; C79-G81 PolarHBondContact O-N 3.29Å; G81-T85 PolarHBondContact O-N 3.43Å; G81-T85 VanDerWaalsContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 2.68Å; G81-T85 VanDerWaalsContact O-OG1 3.06Å |
| 82 | V | 93.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -51.6 | 177.9 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | V8 L78 C79 G84 T85 V86 | V8-V82 HydrophobicContact CG1-CG2 3.85Å; L78-V82 WeakPolarHBondContact O-CG2 3.39Å; L78-V82 PolarHBondContact O-N 3.46Å; C79-V82 PolarHBondContact O-N 3.5Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 3.5Å; V82-T85 PolarHBondContact O-N 3.03Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.12Å |
| 83 | L | 94.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | -179.8 | -70 | 174.8 | 0 | 0 | 0 | 111.6 | C79 V86 V87 T138 F141 | C79-L83 WeakPolarHBondContact O-CB 3.37Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.03Å; L83-V86 PolarHBondContact O-N 2.86Å; L83-V87 WeakPolarHBondContact O-CB 3.46Å; L83-V87 VanDerWaalsContact O-CG2 3.23Å; L83-V87 WeakPolarHBondContact O-CG2 3.47Å; L83-V87 PolarHBondContact O-N 3.15Å; L83-T138 HydrophobicContact CB-CG2 4.25Å; L83-F141 HydrophobicContact CD1-CD2 4.19Å; L83-F141 HydrophobicContact CD1-CE2 3.4Å; L83-F141 HydrophobicContact CD1-CZ 3.65Å |
| 84 | G | 94.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S80 V82 H88 | S80-G84 PolarHBondContact O-N 3.28Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 3.5Å; G84-H88 WeakPolarHBondContact O-CB 3.42Å; G84-H88 PolarHBondContact O-N 2.77Å |
| 85 | T | 92.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 112 | V8 G81 V82 G89 | V8-T85 HydrophobicContact CG2-CG2 4.02Å; G81-T85 PolarHBondContact O-N 3.43Å; G81-T85 VanDerWaalsContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 2.68Å; G81-T85 VanDerWaalsContact O-OG1 3.06Å; V82-T85 PolarHBondContact O-N 3.03Å; T85-G89 PolarHBondContact O-N 3.02Å |
| 86 | V | 93.3 | Very high | 92.9 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 179.5 | 172 | 0 | 0 | 0 | 0 | 111 | V82 L83 K90 | V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.12Å; L83-V86 PolarHBondContact O-N 2.86Å; V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 VanDerWaalsContact O-CG 3.26Å; V86-K90 WeakPolarHBondContact O-CG 3.44Å; V86-K90 PolarHBondContact O-N 3.37Å |
| 87 | V | 94.7 | Very high | 92.4 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 179.2 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L83 G89 K90 V91 A133 A134 I137 | L83-V87 WeakPolarHBondContact O-CB 3.46Å; L83-V87 VanDerWaalsContact O-CG2 3.23Å; L83-V87 WeakPolarHBondContact O-CG2 3.47Å; L83-V87 PolarHBondContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 3.4Å; V87-K90 PolarHBondContact O-N 2.68Å; V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.33Å; V87-V91 PolarHBondContact O-N 3.31Å; V87-A133 HydrophobicContact CG1-CB 4.32Å; V87-A134 HydrophobicContact CB-CB 4.45Å; V87-A134 HydrophobicContact CG1-CB 4.21Å; V87-I137 HydrophobicContact CB-CD1 4.41Å; V87-I137 HydrophobicContact CG1-CD1 3.84Å; V87-I137 HydrophobicContact CG2-CB 4.42Å; V87-I137 HydrophobicContact CG2-CD1 3.65Å; V87-I137 HydrophobicContact CG2-CG2 4.15Å |
| 88 | H | 94.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.218 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.4 | -48.9 | 179.3 | 176 | -86.6 | 0 | 0 | 0 | 111.2 | G84 K90 V91 L92 E127 A134 | G84-H88 WeakPolarHBondContact O-CB 3.42Å; G84-H88 PolarHBondContact O-N 2.77Å; H88-K90 PolarHBondContact O-N 3.23Å; H88-V91 PolarHBondContact O-N 2.92Å; H88-L92 WeakPolarHBondContact O-CB 3.5Å; H88-L92 PolarHBondContact O-N 3.09Å; H88-E127 IonicContact CE1-OE1 2.74Å; H88-E127 IonicContact CE1-OE2 2.61Å; H88-E127 IonicContact NE2-OE1 2.74Å; H88-E127 PolarHBondContact NE2-OE1 3.5Å; H88-E127 IonicContact NE2-OE2 3.77Å; H88-E127 PolarHBondContact NE2-OE2 2.99Å; H88-E127 VanDerWaalsContact NE2-OE2 3.17Å; H88-A134 HydrophobicContact CB-CB 4.18Å |
| 89 | G | 92 | Very high | 90.7 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T85 V87 Q93 | T85-G89 PolarHBondContact O-N 3.02Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-G89 PolarHBondContact O-N 3.4Å; G89-Q93 VanDerWaalsContact O-CB 3.28Å; G89-Q93 WeakPolarHBondContact O-CB 3.46Å; G89-Q93 PolarHBondContact O-N 2.72Å |
| 90 | K | 92.9 | Very high | 89.6 | Confident | 137 Ų | 137 | 65.4 Ų | 65.4 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 177.3 | -77.9 | -72.3 | -175.6 | -178.9 | 0 | 112.7 | V86 V87 H88 H94 | V86-K90 WeakPolarHBondContact O-CB 3.4Å; V86-K90 VanDerWaalsContact O-CG 3.26Å; V86-K90 WeakPolarHBondContact O-CG 3.44Å; V86-K90 PolarHBondContact O-N 3.37Å; V87-K90 PolarHBondContact O-N 2.68Å; H88-K90 PolarHBondContact O-N 3.23Å; K90-H94 PolarHBondContact O-N 3.18Å; K90-H94 VanDerWaalsContact O-N 3.08Å |
| 91 | V | 94.4 | Very high | 88.1 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V87 H88 Q93 H94 Y95 I129 A130 A133 | V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CG2 3.33Å; V87-V91 PolarHBondContact O-N 3.31Å; H88-V91 PolarHBondContact O-N 2.92Å; V91-Q93 PolarHBondContact O-N 3.1Å; V91-H94 WeakPolarHBondContact O-CB 3.25Å; V91-H94 PolarHBondContact O-N 3.24Å; V91-Y95 HydrophobicContact CG1-CD2 4Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.16Å; V91-I129 HydrophobicContact CG1-CG2 4.34Å; V91-A130 HydrophobicContact CB-CB 4.13Å; V91-A130 HydrophobicContact CG1-CB 3.9Å; V91-A133 HydrophobicContact CG2-CB 4.06Å |
| 92 | L | 90.9 | Very high | 86.7 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.6 | -172.8 | 63.1 | 0 | 0 | 0 | 111.9 | H88 H94 Y95 Q96 | H88-L92 WeakPolarHBondContact O-CB 3.5Å; H88-L92 PolarHBondContact O-N 3.09Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 3.23Å; L92-Y95 PolarHBondContact O-N 2.97Å; L92-Q96 WeakPolarHBondContact O-CG 3.32Å; L92-Q96 PolarHBondContact O-N 3.33Å |
| 93 | Q | 90.3 | Very high | 85 | Confident | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 175.3 | -177.2 | -178.8 | -6.5 | 0 | 0 | 111.5 | G89 V91 Y95 Q96 E97 | G89-Q93 VanDerWaalsContact O-CB 3.28Å; G89-Q93 WeakPolarHBondContact O-CB 3.46Å; G89-Q93 PolarHBondContact O-N 2.72Å; V91-Q93 PolarHBondContact O-N 3.1Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 3.41Å; Q93-Q96 PolarHBondContact O-N 2.67Å; Q93-Q96 VanDerWaalsContact O-N 3.16Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.42Å; Q93-E97 WeakPolarHBondContact O-CG 3.14Å; Q93-E97 PolarHBondContact O-N 3.18Å |
| 94 | H | 91.2 | Very high | 83.1 | Confident | 117 Ų | 117 | 81.7 Ų | 81.7 | 54% | 0.542 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 178.7 | -175 | 66.2 | 0 | 0 | 0 | 112.7 | K90 V91 L92 S98 | K90-H94 PolarHBondContact O-N 3.18Å; K90-H94 VanDerWaalsContact O-N 3.08Å; V91-H94 WeakPolarHBondContact O-CB 3.25Å; V91-H94 PolarHBondContact O-N 3.24Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 3.23Å; H94-S98 PolarHBondContact O-N 3.17Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 3.33Å |
| 95 | Y | 87.3 | Confident | 80.8 | Confident | 74 Ų | 74 | 83.2 Ų | 83.2 | 29% | 0.29 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 174.5 | -84.1 | -73.5 | 0 | 0 | 0 | 113.1 | V91 L92 Q93 S98 D99 R126 I129 | V91-Y95 HydrophobicContact CG1-CD2 4Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 WeakPolarHBondContact O-CD2 3.47Å; V91-Y95 PolarHBondContact O-N 3.16Å; L92-Y95 PolarHBondContact O-N 2.97Å; Q93-Y95 VanDerWaalsContact C-N 3.32Å; Q93-Y95 PolarHBondContact O-N 3.41Å; Y95-S98 PolarHBondContact O-N 2.95Å; Y95-D99 PolarHBondContact O-N 3.44Å; Y95-D99 VanDerWaalsContact O-N 3.08Å; Y95-R126 HydrophobicContact CD1-CG 4.15Å; Y95-R126 HydrophobicContact CG-CG 4.15Å; Y95-I129 HydrophobicContact CE2-CB 4.28Å; Y95-I129 HydrophobicContact CE2-CD1 4.43Å; Y95-I129 HydrophobicContact CE2-CG2 3.83Å; Y95-I129 WeakPolarHBondContact OH-CD1 3.41Å |
| 96 | Q | 85.9 | Confident | 78.9 | Confident | 104 Ų | 104 | 87.6 Ų | 87.6 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.6 | -72.5 | 174.8 | -13.3 | 0 | 0 | 112.2 | L92 Q93 K100 | L92-Q96 WeakPolarHBondContact O-CG 3.32Å; L92-Q96 PolarHBondContact O-N 3.33Å; Q93-Q96 PolarHBondContact O-N 2.67Å; Q93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-K100 WeakPolarHBondContact O-CG 3.45Å; Q96-K100 PolarHBondContact O-N 3.33Å |
| 97 | E | 85.7 | Confident | 76.7 | Confident | 108 Ų | 108 | 87 Ų | 87 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 176.3 | -72.5 | 170.9 | -176 | 0 | 0 | 111.6 | Q93 D99 K100 G101 | Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.42Å; Q93-E97 WeakPolarHBondContact O-CG 3.14Å; Q93-E97 PolarHBondContact O-N 3.18Å; E97-D99 PolarHBondContact O-N 2.93Å; E97-K100 PolarHBondContact O-N 3.25Å; E97-G101 PolarHBondContact O-N 2.82Å |
| 98 | S | 79.9 | Confident | 74.2 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | H94 Y95 G101 E102 | H94-S98 PolarHBondContact O-N 3.17Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 3.33Å; Y95-S98 PolarHBondContact O-N 2.95Å; S98-G101 PolarHBondContact O-N 3.43Å; S98-E102 PolarHBondContact O-N 3.32Å |
| 99 | D | 76 | Confident | 72.2 | Confident | 29 Ų | 29 | 98.2 Ų | 98.2 | 16% | 0.155 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.3 | -152.5 | 39.4 | 0 | 0 | 0 | 112.8 | Y95 E97 G101 E102 E103 K122 R126 | Y95-D99 PolarHBondContact O-N 3.44Å; Y95-D99 VanDerWaalsContact O-N 3.08Å; E97-D99 PolarHBondContact O-N 2.93Å; D99-G101 PolarHBondContact O-N 3.09Å; D99-E102 PolarHBondContact O-N 3.25Å; D99-E102 VanDerWaalsContact O-N 3.15Å; D99-E103 PolarHBondContact O-N 3.04Å; D99-K122 IonicContact OD1-NZ 3.42Å; D99-K122 PolarHBondContact OD1-NZ 3.27Å; D99-K122 IonicContact OD2-NZ 3.34Å; D99-R126 IonicContact OD1-CZ 3.4Å; D99-R126 IonicContact OD1-NH1 3.36Å; D99-R126 IonicContact OD1-NH2 3.18Å; D99-R126 PolarHBondContact OD1-NH2 3.48Å; D99-R126 IonicContact OD2-CZ 2.66Å; D99-R126 VanDerWaalsContact OD2-CZ 3.3Å; D99-R126 IonicContact OD2-NH1 2.77Å; D99-R126 PolarHBondContact OD2-NH1 3.2Å; D99-R126 IonicContact OD2-NH2 2.68Å; D99-R126 PolarHBondContact OD2-NH2 3.47Å |
| 100 | K | 71.9 | Confident | 69.9 | Low | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -25.4 | 177.5 | -71.1 | 178 | -178.1 | -178.8 | 0 | 112.8 | Q96 E97 | Q96-K100 WeakPolarHBondContact O-CG 3.45Å; Q96-K100 PolarHBondContact O-N 3.33Å; E97-K100 PolarHBondContact O-N 3.25Å |
| 101 | G | 62.6 | Low | 67.5 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.4 | -29.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E97 S98 D99 | E97-G101 PolarHBondContact O-N 2.82Å; S98-G101 PolarHBondContact O-N 3.43Å; D99-G101 PolarHBondContact O-N 3.09Å |
| 102 | E | 62.7 | Low | 65.3 | Low | 145 Ų | 145 | 111.7 Ų | 111.7 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.3 | -29.9 | 179.7 | -71.1 | -176.7 | 157.6 | 0 | 0 | 113.1 | S98 D99 L104 G105 | S98-E102 PolarHBondContact O-N 3.32Å; D99-E102 PolarHBondContact O-N 3.25Å; D99-E102 VanDerWaalsContact O-N 3.15Å; E102-L104 PolarHBondContact O-N 3.32Å; E102-G105 PolarHBondContact O-N 3.48Å |
| 103 | E | 57.4 | Low | 63.3 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -8.4 | 178.9 | -73.9 | -170.9 | 155.1 | 0 | 0 | 114.7 | D99 G105 | D99-E103 PolarHBondContact O-N 3.04Å; E103-G105 VanDerWaalsContact C-N 3.33Å |
| 104 | L | 56.1 | Low | 61.4 | Low | 164 Ų | 164 | 114 Ų | 114 | 86% | 0.859 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 0.3 | 175.8 | -126.8 | 81.1 | 0 | 0 | 0 | 114.1 | E102 | E102-L104 PolarHBondContact O-N 3.32Š|
| 105 | G | 44.5 | Very low | 60.1 | Low | 47 Ų | 47 | 110.6 Ų | 110.6 | 49% | 0.485 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -90.1 | 151.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E102 E103 | E102-G105 PolarHBondContact O-N 3.48Å; E103-G105 VanDerWaalsContact C-N 3.33Å |
| 106 | P | 52.3 | Low | 59.5 | Low | 140 Ų | 140 | 109.2 Ų | 109.2 | 91% | 0.909 | 62% | 0.615 | S | S | * | * | trans | -83.9 | 131.3 | -173.3 | 33 | -31.4 | 0 | 0 | 0 | 112.9 | ||||
| 107 | G | 47.3 | Very low | 59.2 | Low | 67 Ų | 67 | 109.5 Ų | 109.5 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | trans | 103.6 | 142.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 108 | N | 43.3 | Very low | 59.1 | Low | 168 Ų | 168 | 107.7 Ų | 107.7 | 90% | 0.898 | 61% | 0.609 | S | S | * | * | cis | -158.3 | 150.2 | 10.3 | -110.4 | -13.8 | 0 | 0 | 0 | 110.7 | Q110 | N108-Q110 PolarHBondContact O-N 3.44Š| ||
| 109 | V | 51.5 | Low | 59.2 | Low | 138 Ų | 138 | 112.1 Ų | 112.1 | 84% | 0.836 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 102.2 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | Q | 43.8 | Very low | 59.8 | Low | 177 Ų | 177 | 112.2 Ų | 112.2 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | trans | -178.4 | 58 | 156.3 | -158.9 | 81.6 | 25.4 | 0 | 0 | 113.5 | N108 | N108-Q110 PolarHBondContact O-N 3.44Š| ||
| 111 | K | 42.1 | Very low | 60.6 | Low | 128 Ų | 128 | 107.7 Ų | 107.7 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | trans | -157.1 | 87.2 | 173.1 | -78 | -165.2 | 161.4 | -176.3 | 0 | 111.9 | S114 S115 D118 | K111-S114 VanDerWaalsContact CB-OG 3.31Å; K111-S114 WeakPolarHBondContact CB-OG 3.14Å; K111-S114 WeakPolarHBondContact CD-OG 3.1Å; K111-S114 WeakPolarHBondContact CE-OG 3.45Å; K111-S114 WeakPolarHBondContact CG-OG 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-OG 3.39Å; K111-D118 IonicContact NZ-OD2 3.93Å; K111-D118 PolarHBondContact NZ-OD2 3Å | ||
| 112 | E | 48.9 | Very low | 61.9 | Low | 182 Ų | 182 | 109.2 Ų | 109.2 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -96.9 | -27.7 | 174.2 | -77.4 | -166.6 | 155.4 | 0 | 0 | 114.1 | S115 | E112-S115 PolarHBondContact O-OG 3.01Å; E112-S115 VanDerWaalsContact O-OG 3.07Å |
| 113 | V | 48.2 | Very low | 63.2 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -100 | -38.4 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | S115 | V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3Å |
| 114 | S | 51.6 | Low | 64.8 | Low | 51 Ų | 51 | 100 Ų | 100 | 36% | 0.357 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -21.3 | 173.7 | 60.2 | 0 | 0 | 0 | 0 | 113 | K111 S116 D118 | K111-S114 VanDerWaalsContact CB-OG 3.31Å; K111-S114 WeakPolarHBondContact CB-OG 3.14Å; K111-S114 WeakPolarHBondContact CD-OG 3.1Å; K111-S114 WeakPolarHBondContact CE-OG 3.45Å; K111-S114 WeakPolarHBondContact CG-OG 3.27Å; S114-S116 PolarHBondContact O-N 3.38Å; S114-D118 VanDerWaalsContact O-CB 3.22Å; S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.47Å; S114-D118 VanDerWaalsContact O-N 3.09Å |
| 115 | S | 63.6 | Low | 66.6 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.7 | -31.3 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | K111 E112 V113 R119 | K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-OG 3.39Å; E112-S115 PolarHBondContact O-OG 3.01Å; E112-S115 VanDerWaalsContact O-OG 3.07Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3Å; S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 3.18Å |
| 116 | S | 73.8 | Confident | 68.9 | Low | 46 Ų | 46 | 94.5 Ų | 94.5 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.1 | -43.5 | -178.2 | -70.5 | 0 | 0 | 0 | 0 | 112 | S114 V120 | S114-S116 PolarHBondContact O-N 3.38Å; S116-V120 WeakPolarHBondContact O-CG2 3.17Å; S116-V120 PolarHBondContact O-N 3.05Å |
| 117 | F | 80.4 | Confident | 70.9 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 48% | 0.478 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -43.6 | 176.9 | -173.9 | -108.5 | 0 | 0 | 0 | 111.8 | R119 V120 I121 Y201 | F117-R119 VanDerWaalsContact C-N 3.26Å; F117-R119 PolarHBondContact O-N 3.49Å; F117-V120 PolarHBondContact O-N 2.95Å; F117-V120 VanDerWaalsContact O-N 3.16Å; F117-I121 HydrophobicContact CD1-CD1 3.6Å; F117-I121 HydrophobicContact CD1-CG1 4.43Å; F117-I121 HydrophobicContact CE1-CD1 3.18Å; F117-I121 HydrophobicContact CE1-CG1 4.16Å; F117-I121 HydrophobicContact CE2-CD1 4.41Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 HydrophobicContact CZ-CD1 3.64Å; F117-I121 HydrophobicContact CZ-CG1 4.25Å; F117-I121 PolarHBondContact O-N 3.47Å; F117-Y201 HydrophobicContact CD2-CE1 4.09Å |
| 118 | D | 83 | Confident | 73.2 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.3 | -74 | -16 | 0 | 0 | 0 | 111 | K111 S114 I121 K122 | K111-D118 IonicContact NZ-OD2 3.93Å; K111-D118 PolarHBondContact NZ-OD2 3Å; S114-D118 VanDerWaalsContact O-CB 3.22Å; S114-D118 WeakPolarHBondContact O-CB 3.32Å; S114-D118 PolarHBondContact O-N 3.47Å; S114-D118 VanDerWaalsContact O-N 3.09Å; D118-I121 PolarHBondContact O-N 2.88Å; D118-K122 WeakPolarHBondContact O-CB 3.28Å; D118-K122 PolarHBondContact O-N 3.07Å |
| 119 | R | 83.2 | Confident | 75.7 | Confident | 150 Ų | 150 | 83.5 Ų | 83.5 | 57% | 0.566 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 175.6 | -175.6 | 174.3 | 70 | -158.4 | -1.9 | 112.1 | S115 F117 I121 K122 E123 | S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 3.18Å; F117-R119 VanDerWaalsContact C-N 3.26Å; F117-R119 PolarHBondContact O-N 3.49Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.27Å; R119-K122 PolarHBondContact O-N 3.44Å; R119-E123 HydrophobicContact CG-CG 4.3Å; R119-E123 VanDerWaalsContact CG-OE1 3.29Å; R119-E123 WeakPolarHBondContact CG-OE1 3.41Å; R119-E123 IonicContact NE-OE1 3.98Å; R119-E123 WeakPolarHBondContact O-CB 3.38Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 2.87Å |
| 120 | V | 87.1 | Confident | 77.8 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | S116 F117 T124 Y201 | S116-V120 WeakPolarHBondContact O-CG2 3.17Å; S116-V120 PolarHBondContact O-N 3.05Å; F117-V120 PolarHBondContact O-N 2.95Å; F117-V120 VanDerWaalsContact O-N 3.16Å; V120-T124 WeakPolarHBondContact O-CB 3.43Å; V120-T124 PolarHBondContact O-N 3.32Å; V120-T124 PolarHBondContact O-OG1 3.45Å; V120-Y201 HydrophobicContact CG2-CD2 3.93Å |
| 121 | I | 90 | Very high | 80.2 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 174.8 | -71.3 | 173 | 0 | 0 | 0 | 110.8 | F117 D118 R119 T124 T125 W194 | F117-I121 HydrophobicContact CD1-CD1 3.6Å; F117-I121 HydrophobicContact CD1-CG1 4.43Å; F117-I121 HydrophobicContact CE1-CD1 3.18Å; F117-I121 HydrophobicContact CE1-CG1 4.16Å; F117-I121 HydrophobicContact CE2-CD1 4.41Å; F117-I121 HydrophobicContact CG-CD1 4.4Å; F117-I121 HydrophobicContact CZ-CD1 3.64Å; F117-I121 HydrophobicContact CZ-CG1 4.25Å; F117-I121 PolarHBondContact O-N 3.47Å; D118-I121 PolarHBondContact O-N 2.88Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.27Å; I121-T124 PolarHBondContact O-N 3.43Å; I121-T125 WeakPolarHBondContact O-CB 3.29Å; I121-T125 PolarHBondContact O-N 3.06Å; I121-T125 PolarHBondContact O-OG1 3.48Å; I121-W194 HydrophobicContact CG2-CH2 4.37Å |
| 122 | K | 89.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 39% | 0.391 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | -179.7 | -163.8 | -174.6 | -159.9 | -167.8 | 0 | 111 | D99 D118 R119 T125 R126 | D99-K122 IonicContact OD1-NZ 3.42Å; D99-K122 PolarHBondContact OD1-NZ 3.27Å; D99-K122 IonicContact OD2-NZ 3.34Å; D118-K122 WeakPolarHBondContact O-CB 3.28Å; D118-K122 PolarHBondContact O-N 3.07Å; R119-K122 PolarHBondContact O-N 3.44Å; K122-T125 PolarHBondContact O-N 3.35Å; K122-R126 VanDerWaalsContact O-CG 3.3Å; K122-R126 WeakPolarHBondContact O-CG 3.3Å; K122-R126 PolarHBondContact O-N 3.4Å |
| 123 | E | 88.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.7 | -73.2 | 175.3 | -173.5 | 0 | 0 | 111.7 | R119 T125 R126 E127 | R119-E123 HydrophobicContact CG-CG 4.3Å; R119-E123 VanDerWaalsContact CG-OE1 3.29Å; R119-E123 WeakPolarHBondContact CG-OE1 3.41Å; R119-E123 IonicContact NE-OE1 3.98Å; R119-E123 WeakPolarHBondContact O-CB 3.38Å; R119-E123 WeakPolarHBondContact O-CG 3.45Å; R119-E123 PolarHBondContact O-N 2.87Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.16Å; E123-R126 PolarHBondContact O-N 3.36Å; E123-E127 WeakPolarHBondContact O-CB 3.41Å; E123-E127 PolarHBondContact O-N 3.46Å |
| 124 | T | 92.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | V120 I121 E127 M128 L193 W194 N197 | V120-T124 WeakPolarHBondContact O-CB 3.43Å; V120-T124 PolarHBondContact O-N 3.32Å; V120-T124 PolarHBondContact O-OG1 3.45Å; I121-T124 PolarHBondContact O-N 3.43Å; T124-E127 PolarHBondContact O-N 3.42Å; T124-M128 VanDerWaalsContact O-CB 3.3Å; T124-M128 WeakPolarHBondContact O-CB 3.2Å; T124-M128 PolarHBondContact O-N 3.05Å; T124-L193 HydrophobicContact CG2-CD2 4.39Å; T124-L193 HydrophobicContact CG2-CG 4.17Å; T124-W194 HydrophobicContact CG2-CD2 3.8Å; T124-W194 HydrophobicContact CG2-CE3 4.3Å; T124-W194 HydrophobicContact CG2-CG 4.07Å; T124-W194 HydrophobicContact CG2-CZ2 4.12Å; T124-N197 HydrophobicContact CG2-CB 4.21Å; T124-N197 WeakPolarHBondContact CG2-ND2 3.37Å; T124-N197 PolarHBondContact OG1-ND2 3.31Å |
| 125 | T | 93.3 | Very high | 89.5 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I121 K122 E123 E127 M128 I129 | I121-T125 WeakPolarHBondContact O-CB 3.29Å; I121-T125 PolarHBondContact O-N 3.06Å; I121-T125 PolarHBondContact O-OG1 3.48Å; K122-T125 PolarHBondContact O-N 3.35Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 3.16Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.94Å; T125-M128 WeakPolarHBondContact O-CB 3.34Å; T125-M128 PolarHBondContact O-N 2.74Å; T125-I129 HydrophobicContact CG2-CD1 4.17Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 2.91Å |
| 126 | R | 92.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 174.3 | -72.7 | 169.1 | 176.4 | 178.3 | -5 | 111.5 | Y95 D99 K122 E123 M128 I129 A130 | Y95-R126 HydrophobicContact CD1-CG 4.15Å; Y95-R126 HydrophobicContact CG-CG 4.15Å; D99-R126 IonicContact OD1-CZ 3.4Å; D99-R126 IonicContact OD1-NH1 3.36Å; D99-R126 IonicContact OD1-NH2 3.18Å; D99-R126 PolarHBondContact OD1-NH2 3.48Å; D99-R126 IonicContact OD2-CZ 2.66Å; D99-R126 VanDerWaalsContact OD2-CZ 3.3Å; D99-R126 IonicContact OD2-NH1 2.77Å; D99-R126 PolarHBondContact OD2-NH1 3.2Å; D99-R126 IonicContact OD2-NH2 2.68Å; D99-R126 PolarHBondContact OD2-NH2 3.47Å; K122-R126 VanDerWaalsContact O-CG 3.3Å; K122-R126 WeakPolarHBondContact O-CG 3.3Å; K122-R126 PolarHBondContact O-N 3.4Å; E123-R126 PolarHBondContact O-N 3.36Å; R126-M128 VanDerWaalsContact C-N 3.31Å; R126-M128 PolarHBondContact O-N 3.01Å; R126-I129 PolarHBondContact O-N 3.31Å; R126-A130 WeakPolarHBondContact O-CB 3.23Å; R126-A130 PolarHBondContact O-N 3.13Å |
| 127 | E | 93.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 177.9 | -174.7 | 60.9 | -165.5 | 0 | 0 | 111.5 | H88 E123 T124 T125 I129 A130 R131 L193 | H88-E127 IonicContact CE1-OE1 2.74Å; H88-E127 IonicContact CE1-OE2 2.61Å; H88-E127 IonicContact NE2-OE1 2.74Å; H88-E127 PolarHBondContact NE2-OE1 3.5Å; H88-E127 IonicContact NE2-OE2 3.77Å; H88-E127 PolarHBondContact NE2-OE2 2.99Å; H88-E127 VanDerWaalsContact NE2-OE2 3.17Å; E123-E127 WeakPolarHBondContact O-CB 3.41Å; E123-E127 PolarHBondContact O-N 3.46Å; T124-E127 PolarHBondContact O-N 3.42Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 2.94Å; E127-I129 PolarHBondContact O-N 2.88Å; E127-A130 PolarHBondContact O-N 3.01Å; E127-R131 HydrophobicContact CG-CG 4.47Å; E127-R131 WeakPolarHBondContact O-CB 3.22Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 3.04Å; E127-R131 IonicContact OE1-CZ 3.3Å; E127-R131 IonicContact OE1-NE 2.97Å; E127-R131 PolarHBondContact OE1-NE 3.26Å; E127-R131 IonicContact OE1-NH2 3.77Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; E127-L193 HydrophobicContact CB-CD1 4.47Å; E127-L193 HydrophobicContact CB-CD2 4.17Å; E127-L193 HydrophobicContact CG-CD1 3.8Å; E127-L193 HydrophobicContact CG-CD2 4.02Å |
| 128 | M | 95.9 | Very high | 93 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.1 | -171.7 | -141 | -84.9 | 0 | 0 | 111.1 | T124 T125 R126 S132 I190 L193 W194 | T124-M128 VanDerWaalsContact O-CB 3.3Å; T124-M128 WeakPolarHBondContact O-CB 3.2Å; T124-M128 PolarHBondContact O-N 3.05Å; T125-M128 WeakPolarHBondContact O-CB 3.34Å; T125-M128 PolarHBondContact O-N 2.74Å; R126-M128 VanDerWaalsContact C-N 3.31Å; R126-M128 PolarHBondContact O-N 3.01Å; M128-S132 VanDerWaalsContact O-CB 3.27Å; M128-S132 WeakPolarHBondContact O-CB 3.23Å; M128-S132 PolarHBondContact O-N 3.01Å; M128-S132 PolarHBondContact O-OG 3.17Å; M128-I190 HydrophobicContact CE-CG2 3.78Å; M128-I190 HydrophobicContact CG-CD1 4.48Å; M128-I190 HydrophobicContact CG-CG1 3.82Å; M128-I190 HydrophobicContact CG-CG2 4.26Å; M128-I190 HydrophobicContact SD-CD1 4.31Å; M128-I190 HydrophobicContact SD-CG1 4.22Å; M128-I190 HydrophobicContact SD-CG2 4.27Å; M128-L193 VanDerWaalsContact CA-CD2 3.44Å; M128-L193 HydrophobicContact CB-CD2 3.76Å; M128-L193 HydrophobicContact CG-CD2 4.43Å; M128-W194 HydrophobicContact CE-CZ2 3.93Å |
| 129 | I | 95.9 | Very high | 93.6 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -46.7 | -179.8 | -64.3 | 166.9 | 0 | 0 | 0 | 110.3 | V91 Y95 T125 R126 E127 R131 S132 A133 | V91-I129 HydrophobicContact CG1-CG2 4.34Å; Y95-I129 HydrophobicContact CE2-CB 4.28Å; Y95-I129 HydrophobicContact CE2-CD1 4.43Å; Y95-I129 HydrophobicContact CE2-CG2 3.83Å; Y95-I129 WeakPolarHBondContact OH-CD1 3.41Å; T125-I129 HydrophobicContact CG2-CD1 4.17Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 2.91Å; R126-I129 PolarHBondContact O-N 3.31Å; E127-I129 PolarHBondContact O-N 2.88Å; I129-R131 PolarHBondContact O-N 3.41Å; I129-S132 PolarHBondContact O-N 2.65Å; I129-A133 WeakPolarHBondContact O-CB 3.33Å; I129-A133 PolarHBondContact O-N 3.24Å |
| 130 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V91 R126 E127 A134 | V91-A130 HydrophobicContact CB-CB 4.13Å; V91-A130 HydrophobicContact CG1-CB 3.9Å; R126-A130 WeakPolarHBondContact O-CB 3.23Å; R126-A130 PolarHBondContact O-N 3.13Å; E127-A130 PolarHBondContact O-N 3.01Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.36Å |
| 131 | R | 94.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 44 Ų | 44 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.2 | -72.7 | -174.4 | -172.8 | -166.1 | 4 | 112.5 | E127 I129 A133 A134 T135 | E127-R131 HydrophobicContact CG-CG 4.47Å; E127-R131 WeakPolarHBondContact O-CB 3.22Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 3.04Å; E127-R131 IonicContact OE1-CZ 3.3Å; E127-R131 IonicContact OE1-NE 2.97Å; E127-R131 PolarHBondContact OE1-NE 3.26Å; E127-R131 IonicContact OE1-NH2 3.77Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; I129-R131 PolarHBondContact O-N 3.41Å; R131-A133 PolarHBondContact O-N 3.12Å; R131-A134 PolarHBondContact O-N 3.48Å; R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.03Å; R131-T135 PolarHBondContact O-OG1 3.01Å |
| 132 | S | 97.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | -179.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | M128 I129 T135 L136 | M128-S132 VanDerWaalsContact O-CB 3.27Å; M128-S132 WeakPolarHBondContact O-CB 3.23Å; M128-S132 PolarHBondContact O-N 3.01Å; M128-S132 PolarHBondContact O-OG 3.17Å; I129-S132 PolarHBondContact O-N 2.65Å; S132-T135 PolarHBondContact O-N 3.13Å; S132-L136 WeakPolarHBondContact O-CB 3.45Å; S132-L136 VanDerWaalsContact O-CG 3.3Å; S132-L136 WeakPolarHBondContact O-CG 3.23Å; S132-L136 PolarHBondContact O-N 2.81Å |
| 133 | A | 96.7 | Very high | 95.5 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V87 V91 I129 R131 L136 I137 | V87-A133 HydrophobicContact CG1-CB 4.32Å; V91-A133 HydrophobicContact CG2-CB 4.06Å; I129-A133 WeakPolarHBondContact O-CB 3.33Å; I129-A133 PolarHBondContact O-N 3.24Å; R131-A133 PolarHBondContact O-N 3.12Å; A133-L136 PolarHBondContact O-N 3.2Å; A133-I137 PolarHBondContact O-N 3.46Å |
| 134 | A | 96.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V87 H88 A130 R131 L136 I137 T138 | V87-A134 HydrophobicContact CB-CB 4.45Å; V87-A134 HydrophobicContact CG1-CB 4.21Å; H88-A134 HydrophobicContact CB-CB 4.18Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.36Å; R131-A134 PolarHBondContact O-N 3.48Å; A134-L136 PolarHBondContact O-N 2.89Å; A134-I137 PolarHBondContact O-N 3.32Å; A134-T138 WeakPolarHBondContact O-CB 3.47Å; A134-T138 VanDerWaalsContact O-CG2 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.3Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 2.96Å |
| 135 | T | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | R131 S132 I137 T138 H139 L182 R185 L186 D189 | R131-T135 WeakPolarHBondContact O-CB 3.43Å; R131-T135 PolarHBondContact O-N 3.03Å; R131-T135 PolarHBondContact O-OG1 3.01Å; S132-T135 PolarHBondContact O-N 3.13Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.5Å; T135-T138 WeakPolarHBondContact CA-OG1 3.44Å; T135-T138 PolarHBondContact O-N 2.93Å; T135-T138 PolarHBondContact O-OG1 3.21Å; T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.24Å; T135-L182 HydrophobicContact CG2-CD1 4.33Å; T135-R185 HydrophobicContact CG2-CG 3.89Å; T135-L186 HydrophobicContact CG2-CD2 3.73Å; T135-L186 HydrophobicContact CG2-CG 4.4Å; T135-D189 PolarHBondContact OG1-OD2 3.29Å |
| 136 | L | 96.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 40% | 0.403 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.1 | -76.4 | 169.4 | 0 | 0 | 0 | 113 | S132 A133 A134 L182 L186 | S132-L136 WeakPolarHBondContact O-CB 3.45Å; S132-L136 VanDerWaalsContact O-CG 3.3Å; S132-L136 WeakPolarHBondContact O-CG 3.23Å; S132-L136 PolarHBondContact O-N 2.81Å; A133-L136 PolarHBondContact O-N 3.2Å; A134-L136 PolarHBondContact O-N 2.89Å; L136-L182 HydrophobicContact CD2-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD2 3.57Å; L136-L182 HydrophobicContact CD2-CG 4.38Å; L136-L186 HydrophobicContact CD2-CD1 4.12Å |
| 137 | I | 96.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 28.9 Ų | 28.9 | 44% | 0.441 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -74.3 | -32.9 | -179.1 | -70.6 | 170.9 | 0 | 0 | 0 | 111.7 | V87 A133 A134 T135 | V87-I137 HydrophobicContact CB-CD1 4.41Å; V87-I137 HydrophobicContact CG1-CD1 3.84Å; V87-I137 HydrophobicContact CG2-CB 4.42Å; V87-I137 HydrophobicContact CG2-CD1 3.65Å; V87-I137 HydrophobicContact CG2-CG2 4.15Å; A133-I137 PolarHBondContact O-N 3.46Å; A134-I137 PolarHBondContact O-N 3.32Å; T135-I137 VanDerWaalsContact C-N 3.34Å; T135-I137 PolarHBondContact O-N 3.5Å |
| 138 | T | 96.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 10% | 0.104 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -90.5 | -18.6 | -175.1 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | S80 L83 A134 T135 P140 F141 H142 | S80-T138 WeakPolarHBondContact O-CG2 3.41Å; S80-T138 WeakPolarHBondContact OG-CB 3.39Å; L83-T138 HydrophobicContact CB-CG2 4.25Å; A134-T138 WeakPolarHBondContact O-CB 3.47Å; A134-T138 VanDerWaalsContact O-CG2 3.25Å; A134-T138 WeakPolarHBondContact O-CG2 3.3Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 2.96Å; T135-T138 WeakPolarHBondContact CA-OG1 3.44Å; T135-T138 PolarHBondContact O-N 2.93Å; T135-T138 PolarHBondContact O-OG1 3.21Å; T138-P140 VanDerWaalsContact C-CD 3.49Å; T138-F141 WeakPolarHBondContact O-CB 3.38Å; T138-F141 PolarHBondContact O-N 3.02Å; T138-H142 PolarHBondContact O-N 2.85Å; T138-H142 VanDerWaalsContact O-N 3.16Å |
| 139 | H | 97.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.3 | -40.4 | -176.2 | -169.3 | 73.4 | 0 | 0 | 0 | 114.4 | T135 F141 H142 V143 F178 A180 L182 | T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.24Å; H139-F141 VanDerWaalsContact C-N 3.26Å; H139-F141 PolarHBondContact O-N 3.18Å; H139-H142 WeakPolarHBondContact O-CA 3.4Å; H139-H142 WeakPolarHBondContact O-CB 3.42Å; H139-H142 PolarHBondContact O-N 2.89Å; H139-V143 PolarHBondContact O-N 3.02Å; H139-F178 PolarHBondContact CD2-O 3.04Å; H139-A180 PolarHBondContact CE1-O 2.9Å; H139-A180 PolarHBondContact NE2-O 2.89Å; H139-L182 HydrophobicContact CB-CD1 3.91Å; H139-L182 PolarHBondContact NE2-N 3.41Å |
| 140 | P | 97.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 17% | 0.169 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.8 | -40 | 173.8 | -28.4 | 36.8 | 0 | 0 | 0 | 113.4 | T138 V143 I144 F178 F179 | T138-P140 VanDerWaalsContact C-CD 3.49Å; P140-V143 PolarHBondContact O-N 2.97Å; P140-I144 WeakPolarHBondContact O-CD1 3.49Å; P140-I144 VanDerWaalsContact O-CG1 3.29Å; P140-I144 WeakPolarHBondContact O-CG1 3.36Å; P140-I144 PolarHBondContact O-N 3.15Å; P140-I144 VanDerWaalsContact O-N 3.09Å; P140-F178 HydrophobicContact CB-CB 4.01Å; P140-F178 HydrophobicContact CB-CD1 3.89Å; P140-F178 HydrophobicContact CB-CG 4.28Å; P140-F178 HydrophobicContact CG-CB 4.17Å; P140-F179 HydrophobicContact CG-CE1 4.48Å |
| 141 | F | 97 | Very high | 96.4 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 17% | 0.171 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.8 | -33.7 | 177.4 | -62.6 | -85.3 | 0 | 0 | 0 | 112.3 | C79 L83 T138 H139 I144 T145 L162 | C79-F141 HydrophobicContact CB-CD1 3.87Å; C79-F141 HydrophobicContact CB-CE1 3.89Å; L83-F141 HydrophobicContact CD1-CD2 4.19Å; L83-F141 HydrophobicContact CD1-CE2 3.4Å; L83-F141 HydrophobicContact CD1-CZ 3.65Å; T138-F141 WeakPolarHBondContact O-CB 3.38Å; T138-F141 PolarHBondContact O-N 3.02Å; H139-F141 VanDerWaalsContact C-N 3.26Å; H139-F141 PolarHBondContact O-N 3.18Å; F141-I144 PolarHBondContact O-N 3.24Å; F141-T145 WeakPolarHBondContact O-CB 3.47Å; F141-T145 PolarHBondContact O-N 3.05Å; F141-T145 PolarHBondContact O-OG1 3.35Å; F141-L162 HydrophobicContact CD1-CD1 3.84Å; F141-L162 HydrophobicContact CE1-CD1 3.97Å; F141-L162 HydrophobicContact CE1-CD2 4.11Å |
| 142 | H | 96.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 18.4 Ų | 18.4 | 12% | 0.12 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 172.2 | -177.4 | 69.8 | 0 | 0 | 0 | 110.9 | T138 H139 I144 T145 L146 R185 N242 | T138-H142 PolarHBondContact O-N 2.85Å; T138-H142 VanDerWaalsContact O-N 3.16Å; H139-H142 WeakPolarHBondContact O-CA 3.4Å; H139-H142 WeakPolarHBondContact O-CB 3.42Å; H139-H142 PolarHBondContact O-N 2.89Å; H142-I144 PolarHBondContact O-N 3.03Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.84Å; H142-L146 WeakPolarHBondContact NE2-CD1 3.32Å; H142-L146 WeakPolarHBondContact O-CG 3.07Å; H142-L146 PolarHBondContact O-N 2.83Å; H142-R185 PolarHBondContact CE1-NH1 3.39Å; H142-R185 PolarHBondContact NE2-NH1 2.88Å; H142-N242 PolarHBondContact NE2-OD1 3.3Å |
| 143 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.4 | H139 P140 T145 L146 R147 I169 F178 A245 | H139-V143 PolarHBondContact O-N 3.02Å; P140-V143 PolarHBondContact O-N 2.97Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.92Å; V143-L146 PolarHBondContact O-N 3.12Å; V143-R147 HydrophobicContact CG1-CG 4.4Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.42Å; V143-R147 PolarHBondContact O-N 3.11Å; V143-I169 HydrophobicContact CG1-CD1 4.46Å; V143-F178 WeakPolarHBondContact CG2-O 3.34Å; V143-A245 HydrophobicContact CG2-CB 4.13Å |
| 144 | I | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 177 | -65.8 | 162.3 | 0 | 0 | 0 | 110.5 | P76 P140 F141 H142 L146 R147 S148 L162 I166 I169 F178 | P76-I144 HydrophobicContact CB-CB 4.22Å; P76-I144 HydrophobicContact CB-CG2 3.94Å; P76-I144 HydrophobicContact CG-CG2 3.99Å; P140-I144 WeakPolarHBondContact O-CD1 3.49Å; P140-I144 VanDerWaalsContact O-CG1 3.29Å; P140-I144 WeakPolarHBondContact O-CG1 3.36Å; P140-I144 PolarHBondContact O-N 3.15Å; P140-I144 VanDerWaalsContact O-N 3.09Å; F141-I144 PolarHBondContact O-N 3.24Å; H142-I144 PolarHBondContact O-N 3.03Å; I144-L146 PolarHBondContact O-N 3.44Å; I144-R147 PolarHBondContact O-N 3.03Å; I144-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 3.09Å; I144-S148 PolarHBondContact O-OG 3.5Å; I144-L162 HydrophobicContact CD1-CD1 3.97Å; I144-L162 HydrophobicContact CG2-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CG1 3.58Å; I144-I169 HydrophobicContact CG1-CD1 3.66Å; I144-F178 HydrophobicContact CD1-CE1 4.28Å |
| 145 | T | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | G73 P76 R77 F141 H142 V143 S148 M149 | G73-T145 WeakPolarHBondContact O-CG2 3.34Å; P76-T145 WeakPolarHBondContact CB-OG1 3.2Å; P76-T145 WeakPolarHBondContact CG-OG1 3.13Å; R77-T145 HydrophobicContact CB-CG2 4.08Å; R77-T145 PolarHBondContact N-OG1 2.94Å; F141-T145 WeakPolarHBondContact O-CB 3.47Å; F141-T145 PolarHBondContact O-N 3.05Å; F141-T145 PolarHBondContact O-OG1 3.35Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.84Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.92Å; T145-S148 PolarHBondContact O-N 3.46Å; T145-M149 HydrophobicContact CG2-CE 3.53Å; T145-M149 HydrophobicContact CG2-SD 4.23Å; T145-M149 WeakPolarHBondContact O-CG 3.34Å; T145-M149 PolarHBondContact O-N 3.48Å; T145-M149 VanDerWaalsContact O-N 3.12Å |
| 146 | L | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -45 | 179.9 | -68.3 | 178.8 | 0 | 0 | 0 | 111.8 | M22 V26 H142 V143 I144 M149 V150 N242 A245 V246 | M22-L146 HydrophobicContact CE-CD2 4.36Å; V26-L146 HydrophobicContact CB-CD2 4.3Å; V26-L146 HydrophobicContact CG1-CD2 3.81Å; V26-L146 HydrophobicContact CG2-CD2 3.44Å; V26-L146 VanDerWaalsContact CG2-CD2 3.44Å; H142-L146 WeakPolarHBondContact NE2-CD1 3.32Å; H142-L146 WeakPolarHBondContact O-CG 3.07Å; H142-L146 PolarHBondContact O-N 2.83Å; V143-L146 PolarHBondContact O-N 3.12Å; I144-L146 PolarHBondContact O-N 3.44Å; L146-M149 WeakPolarHBondContact O-CB 3.48Å; L146-M149 PolarHBondContact O-N 2.91Å; L146-M149 VanDerWaalsContact O-N 3.17Å; L146-V150 WeakPolarHBondContact O-CB 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 3.36Å; L146-N242 HydrophobicContact CD1-CB 3.97Å; L146-N242 HydrophobicContact CD2-CB 4.46Å; L146-A245 HydrophobicContact CD1-CB 3.54Å; L146-V246 HydrophobicContact CB-CG1 3.91Å |
| 147 | R | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 180 | -68.4 | 179.5 | -175.6 | -165 | 0.4 | 112.2 | V143 I144 M149 V150 Q151 Y159 E173 G177 A245 V246 L251 | V143-R147 HydrophobicContact CG1-CG 4.4Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.42Å; V143-R147 PolarHBondContact O-N 3.11Å; I144-R147 PolarHBondContact O-N 3.03Å; R147-M149 PolarHBondContact O-N 3.21Å; R147-V150 PolarHBondContact O-N 3.44Å; R147-Q151 PolarHBondContact O-N 2.99Å; R147-Y159 HydrophobicContact CB-CD2 3.89Å; R147-Y159 HydrophobicContact CB-CE2 3.7Å; R147-Y159 HydrophobicContact CB-CG 4.42Å; R147-Y159 HydrophobicContact CG-CE2 4.46Å; R147-E173 IonicContact CZ-OE1 2.57Å; R147-E173 IonicContact CZ-OE2 2.72Å; R147-E173 IonicContact NH1-OE1 2.77Å; R147-E173 PolarHBondContact NH1-OE1 3.34Å; R147-E173 IonicContact NH1-OE2 3.84Å; R147-E173 PolarHBondContact NH1-OE2 2.69Å; R147-E173 VanDerWaalsContact NH1-OE2 3.13Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 2.9Å; R147-E173 IonicContact NH2-OE2 3.02Å; R147-E173 PolarHBondContact NH2-OE2 3.03Å; R147-G177 PolarHBondContact NH2-O 3.34Å; R147-A245 PolarHBondContact NE-O 3.02Å; R147-A245 PolarHBondContact NH2-O 2.91Å; R147-V246 HydrophobicContact CG-CG1 4.23Å; R147-L251 HydrophobicContact CB-CD1 4.04Å; R147-L251 HydrophobicContact CG-CD1 4.42Å; R147-L251 WeakPolarHBondContact O-CD1 3.26Å |
| 148 | S | 95.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -32.4 | 172 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | T72 I144 T145 Q151 | T72-S148 WeakPolarHBondContact CG2-O 3.22Å; I144-S148 WeakPolarHBondContact O-CB 3.49Å; I144-S148 PolarHBondContact O-N 3.09Å; I144-S148 PolarHBondContact O-OG 3.5Å; T145-S148 PolarHBondContact O-N 3.46Å; S148-Q151 WeakPolarHBondContact O-CG 3.4Å; S148-Q151 PolarHBondContact O-NE2 3.25Å |
| 149 | M | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.2 | -45.6 | 173.5 | -70 | 169.1 | -178.7 | 0 | 0 | 111.4 | M22 Y23 V26 T145 L146 R147 Q151 F152 | M22-M149 HydrophobicContact CG-CE 4.11Å; Y23-M149 HydrophobicContact CD2-CB 3.57Å; Y23-M149 HydrophobicContact CD2-CG 3.6Å; Y23-M149 HydrophobicContact CD2-SD 4.33Å; Y23-M149 HydrophobicContact CE2-CB 3.68Å; Y23-M149 HydrophobicContact CE2-CG 4.07Å; Y23-M149 VanDerWaalsContact CE2-O 3.27Å; Y23-M149 WeakPolarHBondContact CE2-O 3.34Å; Y23-M149 HydrophobicContact CG-CG 4.09Å; V26-M149 HydrophobicContact CB-SD 4Å; V26-M149 HydrophobicContact CG1-CB 4.16Å; V26-M149 HydrophobicContact CG1-SD 4.28Å; V26-M149 HydrophobicContact CG2-SD 3.81Å; T145-M149 HydrophobicContact CG2-CE 3.53Å; T145-M149 HydrophobicContact CG2-SD 4.23Å; T145-M149 WeakPolarHBondContact O-CG 3.34Å; T145-M149 PolarHBondContact O-N 3.48Å; T145-M149 VanDerWaalsContact O-N 3.12Å; L146-M149 WeakPolarHBondContact O-CB 3.48Å; L146-M149 PolarHBondContact O-N 2.91Å; L146-M149 VanDerWaalsContact O-N 3.17Å; R147-M149 PolarHBondContact O-N 3.21Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.21Å; M149-F152 WeakPolarHBondContact O-CB 3.41Å; M149-F152 PolarHBondContact O-N 2.76Å |
| 150 | V | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -26.4 | -173.6 | 167.6 | 0 | 0 | 0 | 0 | 113.6 | V26 V30 L146 R147 F152 I153 V246 L251 | V26-V150 HydrophobicContact CG1-CG2 3.94Å; V30-V150 HydrophobicContact CG1-CG2 3.87Å; V30-V150 HydrophobicContact CG2-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CB 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.45Å; L146-V150 PolarHBondContact O-N 3.36Å; R147-V150 PolarHBondContact O-N 3.44Å; V150-F152 PolarHBondContact O-N 3.34Å; V150-I153 HydrophobicContact CG1-CD1 4.19Å; V150-I153 WeakPolarHBondContact O-CB 3.47Å; V150-I153 WeakPolarHBondContact O-CG1 2.99Å; V150-I153 PolarHBondContact O-N 2.97Å; V150-V246 HydrophobicContact CB-CG1 4.38Å; V150-V246 HydrophobicContact CG1-CB 4.47Å; V150-V246 HydrophobicContact CG2-CB 4.41Å; V150-V246 HydrophobicContact CG2-CG1 3.92Å; V150-L251 HydrophobicContact CB-CD1 4.18Å; V150-L251 HydrophobicContact CG1-CD1 4.01Å |
| 151 | Q | 94.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.7 | 176.9 | 79.2 | -173.6 | -7.5 | 0 | 0 | 113.6 | R147 S148 M149 I153 G154 R155 E156 L251 | R147-Q151 PolarHBondContact O-N 2.99Å; S148-Q151 WeakPolarHBondContact O-CG 3.4Å; S148-Q151 PolarHBondContact O-NE2 3.25Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Q151 PolarHBondContact O-N 3.21Å; Q151-I153 PolarHBondContact O-N 3.16Å; Q151-G154 PolarHBondContact O-N 2.94Å; Q151-R155 PolarHBondContact O-N 2.91Å; Q151-E156 HydrophobicContact CB-CB 4.2Å; Q151-E156 WeakPolarHBondContact CG-O 3.29Å; Q151-E156 PolarHBondContact O-N 3.46Å; Q151-L251 HydrophobicContact CB-CD1 4.33Å; Q151-L251 HydrophobicContact CB-CD2 3.77Å |
| 152 | F | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.5 | 173 | -177.9 | -104.9 | 0 | 0 | 0 | 113.9 | Y23 L27 Y32 I61 I64 D65 M149 V150 G154 R155 | Y23-F152 HydrophobicContact CE2-CB 4.45Å; Y23-F152 WeakPolarHBondContact OH-CB 3.29Å; Y23-F152 WeakPolarHBondContact OH-CD2 3.2Å; Y23-F152 WeakPolarHBondContact OH-CG 3.33Å; L27-F152 HydrophobicContact CD1-CD1 3.82Å; L27-F152 HydrophobicContact CD1-CE1 4.4Å; Y32-F152 HydrophobicContact CE1-CD1 4Å; Y32-F152 AromaticContact CE1-CE1 3.93Å; Y32-F152 HydrophobicContact CE1-CE1 3.93Å; I61-F152 HydrophobicContact CB-CZ 4.3Å; I61-F152 HydrophobicContact CG1-CE1 4.03Å; I61-F152 HydrophobicContact CG1-CZ 4.03Å; I61-F152 HydrophobicContact CG2-CE2 4.21Å; I61-F152 HydrophobicContact CG2-CZ 4.37Å; I64-F152 HydrophobicContact CB-CE2 4.07Å; I64-F152 HydrophobicContact CB-CZ 4.1Å; I64-F152 HydrophobicContact CD1-CZ 3.86Å; I64-F152 HydrophobicContact CG2-CE2 3.81Å; I64-F152 HydrophobicContact CG2-CZ 4.13Å; D65-F152 WeakPolarHBondContact OD2-CD2 3.48Å; D65-F152 WeakPolarHBondContact OD2-CE2 3.34Å; M149-F152 WeakPolarHBondContact O-CB 3.41Å; M149-F152 PolarHBondContact O-N 2.76Å; V150-F152 PolarHBondContact O-N 3.34Å; F152-G154 PolarHBondContact O-N 2.99Å; F152-R155 PolarHBondContact O-N 3.41Å |
| 153 | I | 91.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -46.9 | -175.4 | -63.2 | 174.2 | 0 | 0 | 0 | 110.6 | L27 V30 Y32 V150 Q151 R155 Y258 | L27-I153 HydrophobicContact CD2-CD1 4.09Å; L27-I153 HydrophobicContact CD2-CG1 3.97Å; V30-I153 HydrophobicContact CG2-CD1 3.59Å; Y32-I153 HydrophobicContact CD1-CG1 4Å; Y32-I153 HydrophobicContact CD2-CB 4.19Å; Y32-I153 HydrophobicContact CD2-CD1 4.16Å; Y32-I153 HydrophobicContact CD2-CG1 3.74Å; Y32-I153 HydrophobicContact CD2-CG2 3.67Å; Y32-I153 HydrophobicContact CE1-CG1 4.42Å; Y32-I153 HydrophobicContact CE2-CB 4.33Å; Y32-I153 HydrophobicContact CE2-CG1 4.2Å; Y32-I153 HydrophobicContact CE2-CG2 3.87Å; Y32-I153 HydrophobicContact CG-CD1 3.88Å; Y32-I153 HydrophobicContact CG-CG1 3.62Å; Y32-I153 HydrophobicContact CG-CG2 4.43Å; V150-I153 HydrophobicContact CG1-CD1 4.19Å; V150-I153 WeakPolarHBondContact O-CB 3.47Å; V150-I153 WeakPolarHBondContact O-CG1 2.99Å; V150-I153 PolarHBondContact O-N 2.97Å; Q151-I153 PolarHBondContact O-N 3.16Å; I153-R155 VanDerWaalsContact C-N 3.33Å; I153-Y258 HydrophobicContact CG2-CD1 3.78Å; I153-Y258 HydrophobicContact CG2-CD2 4.1Å; I153-Y258 HydrophobicContact CG2-CE1 3.89Å; I153-Y258 HydrophobicContact CG2-CE2 4.2Å; I153-Y258 HydrophobicContact CG2-CG 3.88Å |
| 154 | G | 89.3 | Confident | 92.2 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q151 F152 E156 | Q151-G154 PolarHBondContact O-N 2.94Å; F152-G154 PolarHBondContact O-N 2.99Å; G154-E156 PolarHBondContact O-N 3.45Å |
| 155 | R | 91.2 | Very high | 92.1 | Very high | 136 Ų | 136 | 35.1 Ų | 35.1 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.4 | -168.2 | -53.7 | -63 | -62.1 | 147.8 | -0.5 | 112.1 | I64 D65 Q151 F152 I153 | I64-R155 VanDerWaalsContact CG2-NH2 3.35Å; D65-R155 IonicContact OD1-CZ 3.79Å; D65-R155 IonicContact OD1-NH1 3.55Å; D65-R155 PolarHBondContact OD1-NH1 3.32Å; D65-R155 IonicContact OD1-NH2 3.35Å; D65-R155 PolarHBondContact OD1-NH2 3.07Å; D65-R155 IonicContact OD2-NH1 3.04Å; D65-R155 PolarHBondContact OD2-NH1 3.42Å; Q151-R155 PolarHBondContact O-N 2.91Å; F152-R155 PolarHBondContact O-N 3.41Å; I153-R155 VanDerWaalsContact C-N 3.33Å |
| 156 | E | 90.9 | Very high | 92 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | trans | -88.9 | 145.9 | -175 | -64 | 166.1 | 101.5 | 0 | 0 | 110.8 | Q151 G154 L251 A252 | Q151-E156 HydrophobicContact CB-CB 4.2Å; Q151-E156 WeakPolarHBondContact CG-O 3.29Å; Q151-E156 PolarHBondContact O-N 3.46Å; G154-E156 PolarHBondContact O-N 3.45Å; E156-L251 HydrophobicContact CB-CD2 4.32Å; E156-A252 PolarHBondContact OE1-N 3.48Å; E156-A252 WeakPolarHBondContact OE2-CB 3.37Å; E156-A252 PolarHBondContact OE2-N 3.21Å | ||
| 157 | S | 87.7 | Confident | 91.9 | Very high | 96 Ų | 96 | 42 Ų | 42 | 67% | 0.671 | 25% | 0.249 | S | C | * | . | trans | -112.8 | 38.2 | 178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | C160 | S157-C160 PolarHBondContact O-SG 2.99Š| ||
| 158 | K | 88.9 | Confident | 91.8 | Very high | 40 Ų | 40 | 43 Ų | 43 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | trans | -77.5 | -29.2 | -171.7 | -174.2 | 175.1 | -176.5 | -178.9 | 0 | 113.9 | T168 E172 C249 G250 L251 | K158-T168 HydrophobicContact CD-CG2 4.39Å; K158-T168 HydrophobicContact CG-CG2 3.88Å; K158-E172 VanDerWaalsContact CE-CD 3.41Å; K158-E172 WeakPolarHBondContact CE-OE1 3.14Å; K158-E172 WeakPolarHBondContact CE-OE2 3.48Å; K158-E172 IonicContact NZ-OE1 2.6Å; K158-E172 PolarHBondContact NZ-OE1 3.29Å; K158-E172 IonicContact NZ-OE2 3.51Å; K158-E172 PolarHBondContact NZ-OE2 3.09Å; K158-C249 PolarHBondContact NZ-O 3.44Å; K158-G250 PolarHBondContact NZ-O 3.41Å; K158-L251 HydrophobicContact CB-CD2 4.23Å; K158-L251 HydrophobicContact CD-CD2 4.03Å | ||
| 159 | Y | 88.3 | Confident | 91.8 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | trans | -115.9 | 69.8 | -175.5 | -62.2 | -68.1 | 0 | 0 | 0 | 110 | R147 G161 S165 T168 I169 L251 | R147-Y159 HydrophobicContact CB-CD2 3.89Å; R147-Y159 HydrophobicContact CB-CE2 3.7Å; R147-Y159 HydrophobicContact CB-CG 4.42Å; R147-Y159 HydrophobicContact CG-CE2 4.46Å; Y159-G161 PolarHBondContact O-N 3.19Å; Y159-S165 WeakPolarHBondContact CA-OG 3.34Å; Y159-S165 WeakPolarHBondContact CB-OG 3.16Å; Y159-T168 HydrophobicContact CE1-CG2 4.1Å; Y159-I169 HydrophobicContact CE1-CD1 4.23Å; Y159-I169 HydrophobicContact CE1-CG1 3.74Å; Y159-L251 HydrophobicContact CD2-CD1 4.14Å; Y159-L251 HydrophobicContact CD2-CD2 4.08Å; Y159-L251 HydrophobicContact CD2-CG 4.45Å; Y159-L251 HydrophobicContact CE2-CD1 3.68Å; Y159-L251 HydrophobicContact CE2-CD2 3.72Å; Y159-L251 HydrophobicContact CE2-CG 3.76Å | ||
| 160 | C | 81.6 | Confident | 91.8 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 55% | 0.554 | 28% | 0.28 | S | S | * | . | trans | -91.3 | 74.5 | -177.1 | -74.2 | 0 | 0 | 0 | 0 | 111.1 | S157 D164 | S157-C160 PolarHBondContact O-SG 2.99Å; C160-D164 PolarHBondContact N-OD2 2.98Å; C160-D164 VanDerWaalsContact N-OD2 3.16Å; C160-D164 WeakPolarHBondContact O-CB 3.35Å | ||
| 161 | G | 86.9 | Confident | 91.8 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 95.2 | 169.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y159 S165 | Y159-G161 PolarHBondContact O-N 3.19Å; G161-S165 VanDerWaalsContact O-CB 3.3Å; G161-S165 WeakPolarHBondContact O-CB 3.48Å; G161-S165 PolarHBondContact O-N 3.48Å; G161-S165 PolarHBondContact O-OG 3.26Å |
| 162 | L | 91.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -52 | -166.5 | 177.7 | 63.6 | 0 | 0 | 0 | 113 | T75 P76 F141 I144 S165 I166 | T75-L162 HydrophobicContact CG2-CB 4.49Å; P76-L162 HydrophobicContact CB-CD1 3.91Å; F141-L162 HydrophobicContact CD1-CD1 3.84Å; F141-L162 HydrophobicContact CE1-CD1 3.97Å; F141-L162 HydrophobicContact CE1-CD2 4.11Å; I144-L162 HydrophobicContact CD1-CD1 3.97Å; I144-L162 HydrophobicContact CG2-CD1 4.43Å; L162-S165 PolarHBondContact O-N 2.71Å; L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.1Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.83Å |
| 163 | C | 92.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 66.1 Ų | 66.1 | 66% | 0.662 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | -176.3 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | S165 I166 V167 | C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 2.94Å; C163-I166 PolarHBondContact O-N 3.03Å; C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.25Å |
| 164 | D | 93 | Very high | 91.8 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 174.4 | -178.4 | 65.2 | 0 | 0 | 0 | 110.7 | C160 I166 V167 T168 | C160-D164 PolarHBondContact N-OD2 2.98Å; C160-D164 VanDerWaalsContact N-OD2 3.16Å; C160-D164 WeakPolarHBondContact O-CB 3.35Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.41Å; D164-V167 PolarHBondContact O-N 3Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 2.82Å; D164-T168 VanDerWaalsContact O-OG1 3.05Å |
| 165 | S | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | Y159 G161 L162 C163 T168 I169 | Y159-S165 WeakPolarHBondContact CA-OG 3.34Å; Y159-S165 WeakPolarHBondContact CB-OG 3.16Å; G161-S165 VanDerWaalsContact O-CB 3.3Å; G161-S165 WeakPolarHBondContact O-CB 3.48Å; G161-S165 PolarHBondContact O-N 3.48Å; G161-S165 PolarHBondContact O-OG 3.26Å; L162-S165 PolarHBondContact O-N 2.71Å; C163-S165 VanDerWaalsContact C-N 3.31Å; C163-S165 PolarHBondContact O-N 2.94Å; S165-T168 PolarHBondContact O-N 3.24Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 2.91Å |
| 166 | I | 95.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 71 Ų | 71 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.7 | -68 | 164.8 | 0 | 0 | 0 | 110.2 | I144 L162 C163 D164 T168 I169 Y170 F178 | I144-I166 HydrophobicContact CD1-CD1 4.43Å; I144-I166 HydrophobicContact CD1-CG1 3.58Å; L162-I166 HydrophobicContact CD1-CD1 4.12Å; L162-I166 HydrophobicContact CG-CD1 4.1Å; L162-I166 WeakPolarHBondContact O-CG1 3.35Å; L162-I166 PolarHBondContact O-N 2.83Å; C163-I166 PolarHBondContact O-N 3.03Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.41Å; I166-T168 PolarHBondContact O-N 3.29Å; I166-I169 PolarHBondContact O-N 2.83Å; I166-Y170 WeakPolarHBondContact O-CB 3.41Å; I166-Y170 PolarHBondContact O-N 2.97Å; I166-F178 HydrophobicContact CB-CZ 4.49Å; I166-F178 HydrophobicContact CG1-CE1 4.45Å; I166-F178 HydrophobicContact CG2-CE1 4.42Å; I166-F178 HydrophobicContact CG2-CZ 4.03Å; I166-F178 WeakPolarHBondContact O-CZ 3.27Å |
| 167 | V | 95.4 | Very high | 92.2 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 180 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | C163 D164 Y170 R171 | C163-V167 WeakPolarHBondContact O-CG2 3.39Å; C163-V167 PolarHBondContact O-N 3.25Å; D164-V167 PolarHBondContact O-N 3Å; V167-Y170 PolarHBondContact O-N 3.36Å; V167-R171 HydrophobicContact CG1-CG 4.32Å; V167-R171 WeakPolarHBondContact O-CB 3.31Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.35Å |
| 168 | T | 94.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 180 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | K158 Y159 D164 S165 I166 Y170 R171 E172 | K158-T168 HydrophobicContact CD-CG2 4.39Å; K158-T168 HydrophobicContact CG-CG2 3.88Å; Y159-T168 HydrophobicContact CE1-CG2 4.1Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 2.82Å; D164-T168 VanDerWaalsContact O-OG1 3.05Å; S165-T168 PolarHBondContact O-N 3.24Å; I166-T168 PolarHBondContact O-N 3.29Å; T168-Y170 PolarHBondContact O-N 2.73Å; T168-R171 PolarHBondContact O-N 3.35Å; T168-E172 WeakPolarHBondContact O-CB 3.19Å; T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.22Å |
| 169 | I | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 178 | -63.6 | 174.8 | 0 | 0 | 0 | 110.6 | V143 I144 Y159 S165 I166 R171 E172 E173 G174 F178 | V143-I169 HydrophobicContact CG1-CD1 4.46Å; I144-I169 HydrophobicContact CG1-CD1 3.66Å; Y159-I169 HydrophobicContact CE1-CD1 4.23Å; Y159-I169 HydrophobicContact CE1-CG1 3.74Å; S165-I169 VanDerWaalsContact O-CG1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 2.91Å; I166-I169 PolarHBondContact O-N 2.83Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.25Å; I169-E172 PolarHBondContact O-N 3.47Å; I169-E173 PolarHBondContact O-N 3.44Å; I169-G174 PolarHBondContact O-N 3.27Å; I169-F178 HydrophobicContact CB-CD1 4.46Å; I169-F178 HydrophobicContact CB-CE1 3.81Å; I169-F178 HydrophobicContact CB-CE2 4.18Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.27Å; I169-F178 HydrophobicContact CD1-CE1 3.95Å; I169-F178 HydrophobicContact CG1-CE1 4.45Å; I169-F178 HydrophobicContact CG2-CD1 3.96Å; I169-F178 HydrophobicContact CG2-CD2 3.92Å; I169-F178 HydrophobicContact CG2-CE1 3.77Å; I169-F178 HydrophobicContact CG2-CE2 3.72Å; I169-F178 HydrophobicContact CG2-CG 4.05Å; I169-F178 HydrophobicContact CG2-CZ 3.65Å |
| 170 | Y | 95.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 67.8 Ų | 67.8 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | -179 | -176.3 | -99.4 | 0 | 0 | 0 | 112.6 | I166 V167 T168 G174 I175 F178 | I166-Y170 WeakPolarHBondContact O-CB 3.41Å; I166-Y170 PolarHBondContact O-N 2.97Å; V167-Y170 PolarHBondContact O-N 3.36Å; T168-Y170 PolarHBondContact O-N 2.73Å; Y170-G174 VanDerWaalsContact O-CA 3.23Å; Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.37Å; Y170-I175 HydrophobicContact CD2-CG1 4.28Å; Y170-I175 HydrophobicContact CE2-CD1 4.48Å; Y170-I175 HydrophobicContact CE2-CG1 3.88Å; Y170-F178 HydrophobicContact CD2-CE2 4.46Å |
| 171 | R | 94.7 | Very high | 93.9 | Very high | 210 Ų | 210 | 64.3 Ų | 64.3 | 79% | 0.792 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -74.3 | -34.5 | -179.9 | -72.6 | -173.7 | 75 | -178.5 | 3.2 | 113.4 | V167 T168 I169 | V167-R171 HydrophobicContact CG1-CG 4.32Å; V167-R171 WeakPolarHBondContact O-CB 3.31Å; V167-R171 VanDerWaalsContact O-CG 3.3Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.35Å; T168-R171 PolarHBondContact O-N 3.35Å; I169-R171 VanDerWaalsContact C-N 3.32Å; I169-R171 PolarHBondContact O-N 3.25Å |
| 172 | E | 93.6 | Very high | 94.4 | Very high | 108 Ų | 108 | 63.3 Ų | 63.3 | 51% | 0.505 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -93.5 | -38.9 | -174.1 | -66.5 | -178.8 | 179.5 | 0 | 0 | 113.6 | K158 T168 I169 | K158-E172 VanDerWaalsContact CE-CD 3.41Å; K158-E172 WeakPolarHBondContact CE-OE1 3.14Å; K158-E172 WeakPolarHBondContact CE-OE2 3.48Å; K158-E172 IonicContact NZ-OE1 2.6Å; K158-E172 PolarHBondContact NZ-OE1 3.29Å; K158-E172 IonicContact NZ-OE2 3.51Å; K158-E172 PolarHBondContact NZ-OE2 3.09Å; T168-E172 WeakPolarHBondContact O-CB 3.19Å; T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.22Å; I169-E172 PolarHBondContact O-N 3.47Å |
| 173 | E | 93.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -9.2 | -173.3 | -65.7 | 173.5 | -134.4 | 0 | 0 | 113 | R147 I169 G177 C249 | R147-E173 IonicContact CZ-OE1 2.57Å; R147-E173 IonicContact CZ-OE2 2.72Å; R147-E173 IonicContact NH1-OE1 2.77Å; R147-E173 PolarHBondContact NH1-OE1 3.34Å; R147-E173 IonicContact NH1-OE2 3.84Å; R147-E173 PolarHBondContact NH1-OE2 2.69Å; R147-E173 VanDerWaalsContact NH1-OE2 3.13Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 2.9Å; R147-E173 IonicContact NH2-OE2 3.02Å; R147-E173 PolarHBondContact NH2-OE2 3.03Å; I169-E173 PolarHBondContact O-N 3.44Å; E173-G177 WeakPolarHBondContact OE2-CA 3.46Å; E173-C249 VanDerWaalsContact OE1-CA 3.28Å; E173-C249 WeakPolarHBondContact OE1-CA 3.33Å; E173-C249 WeakPolarHBondContact OE1-CB 3.44Å |
| 174 | G | 94.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | 67.5 | -156.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I169 Y170 L176 G177 | I169-G174 PolarHBondContact O-N 3.27Å; Y170-G174 VanDerWaalsContact O-CA 3.23Å; Y170-G174 WeakPolarHBondContact O-CA 3.43Å; Y170-G174 PolarHBondContact O-N 3.37Å; G174-L176 VanDerWaalsContact C-N 3.3Å; G174-L176 PolarHBondContact O-N 3.04Å; G174-G177 PolarHBondContact O-N 3.4Å |
| 175 | I | 94.3 | Very high | 95 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 55% | 0.549 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.3 | -31.8 | -176.1 | -60.5 | 165.4 | 0 | 0 | 0 | 111.3 | Y170 G177 F178 F179 | Y170-I175 HydrophobicContact CD2-CG1 4.28Å; Y170-I175 HydrophobicContact CE2-CD1 4.48Å; Y170-I175 HydrophobicContact CE2-CG1 3.88Å; I175-G177 VanDerWaalsContact C-N 3.26Å; I175-G177 PolarHBondContact O-N 2.87Å; I175-F178 PolarHBondContact O-N 3.38Å; I175-F179 HydrophobicContact CG2-CD2 4.15Å; I175-F179 HydrophobicContact CG2-CE2 3.85Å; I175-F179 WeakPolarHBondContact O-CD2 3.49Å |
| 176 | L | 93 | Very high | 95.2 | Very high | 148 Ų | 148 | 61.8 Ų | 61.8 | 78% | 0.775 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.9 | -29.7 | -178 | -65.3 | 176 | 0 | 0 | 0 | 112.5 | G174 F178 F179 A180 | G174-L176 VanDerWaalsContact C-N 3.3Å; G174-L176 PolarHBondContact O-N 3.04Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.38Å; L176-A180 PolarHBondContact O-N 3.46Å |
| 177 | G | 92.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R147 E173 G174 I175 F179 A180 | R147-G177 PolarHBondContact NH2-O 3.34Å; E173-G177 WeakPolarHBondContact OE2-CA 3.46Å; G174-G177 PolarHBondContact O-N 3.4Å; I175-G177 VanDerWaalsContact C-N 3.26Å; I175-G177 PolarHBondContact O-N 2.87Å; G177-F179 PolarHBondContact O-N 2.69Å; G177-A180 WeakPolarHBondContact O-CB 3.44Å; G177-A180 PolarHBondContact O-N 2.89Å |
| 178 | F | 95.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.2 | 177.1 | -63.9 | -76.9 | 0 | 0 | 0 | 113.9 | H139 P140 V143 I144 I166 I169 Y170 I175 L176 | H139-F178 PolarHBondContact CD2-O 3.04Å; P140-F178 HydrophobicContact CB-CB 4.01Å; P140-F178 HydrophobicContact CB-CD1 3.89Å; P140-F178 HydrophobicContact CB-CG 4.28Å; P140-F178 HydrophobicContact CG-CB 4.17Å; V143-F178 WeakPolarHBondContact CG2-O 3.34Å; I144-F178 HydrophobicContact CD1-CE1 4.28Å; I166-F178 HydrophobicContact CB-CZ 4.49Å; I166-F178 HydrophobicContact CG1-CE1 4.45Å; I166-F178 HydrophobicContact CG2-CE1 4.42Å; I166-F178 HydrophobicContact CG2-CZ 4.03Å; I166-F178 WeakPolarHBondContact O-CZ 3.27Å; I169-F178 HydrophobicContact CB-CD1 4.46Å; I169-F178 HydrophobicContact CB-CE1 3.81Å; I169-F178 HydrophobicContact CB-CE2 4.18Å; I169-F178 HydrophobicContact CB-CZ 3.66Å; I169-F178 HydrophobicContact CD1-CD1 4.27Å; I169-F178 HydrophobicContact CD1-CE1 3.95Å; I169-F178 HydrophobicContact CG1-CE1 4.45Å; I169-F178 HydrophobicContact CG2-CD1 3.96Å; I169-F178 HydrophobicContact CG2-CD2 3.92Å; I169-F178 HydrophobicContact CG2-CE1 3.77Å; I169-F178 HydrophobicContact CG2-CE2 3.72Å; I169-F178 HydrophobicContact CG2-CG 4.05Å; I169-F178 HydrophobicContact CG2-CZ 3.65Å; Y170-F178 HydrophobicContact CD2-CE2 4.46Å; I175-F178 PolarHBondContact O-N 3.38Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 PolarHBondContact O-N 3.15Å |
| 179 | F | 95.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 7.5 | -178.3 | -64.7 | -72.1 | 0 | 0 | 0 | 113.2 | P140 I175 L176 G177 G181 L182 | P140-F179 HydrophobicContact CG-CE1 4.48Å; I175-F179 HydrophobicContact CG2-CD2 4.15Å; I175-F179 HydrophobicContact CG2-CE2 3.85Å; I175-F179 WeakPolarHBondContact O-CD2 3.49Å; L176-F179 PolarHBondContact O-N 3.38Å; G177-F179 PolarHBondContact O-N 2.69Å; F179-G181 PolarHBondContact O-N 3.37Å; F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CD1-CD2 3.77Å; F179-L182 HydrophobicContact CE1-CD2 4.5Å; F179-L182 WeakPolarHBondContact O-CB 3.41Å; F179-L182 PolarHBondContact O-N 3.48Å |
| 180 | A | 95.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 61 Ų | 61 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 126 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | H139 L176 G177 L182 | H139-A180 PolarHBondContact CE1-O 2.9Å; H139-A180 PolarHBondContact NE2-O 2.89Å; L176-A180 PolarHBondContact O-N 3.46Å; G177-A180 WeakPolarHBondContact O-CB 3.44Å; G177-A180 PolarHBondContact O-N 2.89Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.21Å |
| 181 | G | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 8.4 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | F179 P184 R185 S241 | F179-G181 PolarHBondContact O-N 3.37Å; G181-P184 WeakPolarHBondContact O-CD 3.5Å; G181-P184 WeakPolarHBondContact O-CG 3.3Å; G181-R185 PolarHBondContact O-N 3.44Å; G181-S241 WeakPolarHBondContact O-CB 3.12Å; G181-S241 PolarHBondContact O-OG 3.33Å |
| 182 | L | 97.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 179.1 | 177 | 67.7 | 0 | 0 | 0 | 112.6 | T135 L136 H139 F179 A180 R185 L186 | T135-L182 HydrophobicContact CG2-CD1 4.33Å; L136-L182 HydrophobicContact CD2-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD2 3.57Å; L136-L182 HydrophobicContact CD2-CG 4.38Å; H139-L182 HydrophobicContact CB-CD1 3.91Å; H139-L182 PolarHBondContact NE2-N 3.41Å; F179-L182 HydrophobicContact CB-CB 4.49Å; F179-L182 HydrophobicContact CD1-CD2 3.77Å; F179-L182 HydrophobicContact CE1-CD2 4.5Å; F179-L182 WeakPolarHBondContact O-CB 3.41Å; F179-L182 PolarHBondContact O-N 3.48Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.21Å; L182-R185 WeakPolarHBondContact O-CB 3.08Å; L182-R185 PolarHBondContact O-N 2.89Å; L182-R185 VanDerWaalsContact O-N 3.12Å; L182-L186 HydrophobicContact CD1-CD1 3.87Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.9Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 HydrophobicContact CG-CG 4.21Å; L182-L186 PolarHBondContact O-N 3.29Å |
| 183 | V | 97.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 44 Ų | 44 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.2 | -56.7 | -176.6 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | R185 L186 L187 W265 | V183-R185 PolarHBondContact O-N 3.18Å; V183-L186 PolarHBondContact O-N 2.89Å; V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.91Å; V183-W265 HydrophobicContact CG1-CZ2 4.34Å |
| 184 | P | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -30.2 | 176.8 | 24.8 | -35.1 | 0 | 0 | 0 | 112 | G181 G188 F237 V240 W265 | G181-P184 WeakPolarHBondContact O-CD 3.5Å; G181-P184 WeakPolarHBondContact O-CG 3.3Å; P184-G188 PolarHBondContact O-N 3.49Å; P184-F237 HydrophobicContact CB-CD1 4.39Å; P184-F237 WeakPolarHBondContact O-CB 3.43Å; P184-V240 HydrophobicContact CB-CB 4.46Å; P184-V240 HydrophobicContact CB-CG1 4.17Å; P184-V240 HydrophobicContact CG-CG1 4.2Å; P184-W265 HydrophobicContact CB-CE3 4.48Å; P184-W265 HydrophobicContact CG-CB 4.06Å; P184-W265 HydrophobicContact CG-CG 4.42Å |
| 185 | R | 96.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -52.7 | 175.6 | -174.8 | 55.5 | 178.8 | -99.7 | -5.3 | 112.1 | T135 H142 G181 L182 V183 L187 G188 D189 S241 | T135-R185 HydrophobicContact CG2-CG 3.89Å; H142-R185 PolarHBondContact CE1-NH1 3.39Å; H142-R185 PolarHBondContact NE2-NH1 2.88Å; G181-R185 PolarHBondContact O-N 3.44Å; L182-R185 WeakPolarHBondContact O-CB 3.08Å; L182-R185 PolarHBondContact O-N 2.89Å; L182-R185 VanDerWaalsContact O-N 3.12Å; V183-R185 PolarHBondContact O-N 3.18Å; R185-L187 PolarHBondContact O-N 3.02Å; R185-G188 PolarHBondContact O-N 3.41Å; R185-D189 IonicContact NE-OD1 3.13Å; R185-D189 PolarHBondContact NE-OD1 2.92Å; R185-D189 IonicContact NE-OD2 2.7Å; R185-D189 PolarHBondContact NE-OD2 3.41Å; R185-D189 PolarHBondContact O-N 3.05Å; R185-S241 WeakPolarHBondContact CB-OG 3.37Å |
| 186 | L | 97.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 179.7 | -72.8 | 173 | 0 | 0 | 0 | 111.3 | T135 L136 L182 V183 G188 D189 I190 | T135-L186 HydrophobicContact CG2-CD2 3.73Å; T135-L186 HydrophobicContact CG2-CG 4.4Å; L136-L186 HydrophobicContact CD2-CD1 4.12Å; L182-L186 HydrophobicContact CD1-CD1 3.87Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 3.9Å; L182-L186 HydrophobicContact CD2-CD1 4.17Å; L182-L186 HydrophobicContact CG-CD1 3.79Å; L182-L186 HydrophobicContact CG-CG 4.21Å; L182-L186 PolarHBondContact O-N 3.29Å; V183-L186 PolarHBondContact O-N 2.89Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 2.98Å; L186-D189 PolarHBondContact O-N 3.16Å; L186-I190 WeakPolarHBondContact O-CB 3.5Å; L186-I190 WeakPolarHBondContact O-CD1 3.44Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.17Å |
| 187 | L | 97.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.8 | -70.3 | 176.4 | 0 | 0 | 0 | 111.5 | V183 R185 I190 L191 F237 W265 | V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.91Å; R185-L187 PolarHBondContact O-N 3.02Å; L187-I190 PolarHBondContact O-N 3.27Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.47Å; L187-F237 HydrophobicContact CB-CD1 4Å; L187-F237 HydrophobicContact CB-CE1 3.95Å; L187-F237 HydrophobicContact CD1-CE1 4.33Å; L187-W265 HydrophobicContact CD1-CH2 4.17Å; L187-W265 HydrophobicContact CD1-CZ2 4.26Å |
| 188 | G | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P184 R185 L186 S192 | P184-G188 PolarHBondContact O-N 3.49Å; R185-G188 PolarHBondContact O-N 3.41Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 2.98Å; G188-S192 WeakPolarHBondContact O-CB 3.27Å; G188-S192 PolarHBondContact O-N 3.3Å |
| 189 | D | 95 | Very high | 94.5 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | -180 | -70.5 | -15.6 | 0 | 0 | 0 | 111.4 | T135 R185 L186 L193 | T135-D189 PolarHBondContact OG1-OD2 3.29Å; R185-D189 IonicContact NE-OD1 3.13Å; R185-D189 PolarHBondContact NE-OD1 2.92Å; R185-D189 IonicContact NE-OD2 2.7Å; R185-D189 PolarHBondContact NE-OD2 3.41Å; R185-D189 PolarHBondContact O-N 3.05Å; L186-D189 PolarHBondContact O-N 3.16Å; D189-L193 WeakPolarHBondContact O-CB 3.16Å; D189-L193 PolarHBondContact O-N 2.98Å |
| 190 | I | 96 | Very high | 94.1 | Very high | 47 Ų | 47 | 39 Ų | 39 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -52.2 | 177.6 | -69.9 | 167.7 | 0 | 0 | 0 | 110.6 | M128 L186 L187 S192 L193 W194 | M128-I190 HydrophobicContact CE-CG2 3.78Å; M128-I190 HydrophobicContact CG-CD1 4.48Å; M128-I190 HydrophobicContact CG-CG1 3.82Å; M128-I190 HydrophobicContact CG-CG2 4.26Å; M128-I190 HydrophobicContact SD-CD1 4.31Å; M128-I190 HydrophobicContact SD-CG1 4.22Å; M128-I190 HydrophobicContact SD-CG2 4.27Å; L186-I190 WeakPolarHBondContact O-CB 3.5Å; L186-I190 WeakPolarHBondContact O-CD1 3.44Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.17Å; L187-I190 PolarHBondContact O-N 3.27Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 2.8Å; I190-L193 PolarHBondContact O-N 2.91Å; I190-W194 VanDerWaalsContact O-CD1 3.26Å; I190-W194 PolarHBondContact O-N 3.42Å |
| 191 | L | 95.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 41 Ų | 41 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -42.1 | -179.8 | -71.2 | 171.8 | 0 | 0 | 0 | 111.1 | L187 L193 W194 L195 T234 F237 | L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.47Å; L191-L193 PolarHBondContact O-N 3.05Å; L191-W194 PolarHBondContact O-N 2.75Å; L191-L195 VanDerWaalsContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.23Å; L191-T234 HydrophobicContact CB-CG2 3.94Å; L191-F237 HydrophobicContact CD1-CD2 4.4Å; L191-F237 HydrophobicContact CD1-CE1 4.39Å; L191-F237 HydrophobicContact CD1-CE2 3.66Å; L191-F237 HydrophobicContact CD1-CZ 3.65Å |
| 192 | S | 94.4 | Very high | 93 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 179.5 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | G188 I190 C196 | G188-S192 WeakPolarHBondContact O-CB 3.27Å; G188-S192 PolarHBondContact O-N 3.3Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 2.8Å; S192-C196 WeakPolarHBondContact O-CB 3.4Å; S192-C196 PolarHBondContact O-N 3.43Å |
| 193 | L | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 177.2 | 174.6 | 65.3 | 0 | 0 | 0 | 111.7 | T124 E127 M128 D189 I190 L191 C196 N197 | T124-L193 HydrophobicContact CG2-CD2 4.39Å; T124-L193 HydrophobicContact CG2-CG 4.17Å; E127-L193 HydrophobicContact CB-CD1 4.47Å; E127-L193 HydrophobicContact CB-CD2 4.17Å; E127-L193 HydrophobicContact CG-CD1 3.8Å; E127-L193 HydrophobicContact CG-CD2 4.02Å; M128-L193 VanDerWaalsContact CA-CD2 3.44Å; M128-L193 HydrophobicContact CB-CD2 3.76Å; M128-L193 HydrophobicContact CG-CD2 4.43Å; D189-L193 WeakPolarHBondContact O-CB 3.16Å; D189-L193 PolarHBondContact O-N 2.98Å; I190-L193 PolarHBondContact O-N 2.91Å; L191-L193 PolarHBondContact O-N 3.05Å; L193-C196 PolarHBondContact O-N 3.42Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 2.84Å |
| 194 | W | 94.3 | Very high | 91.5 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 31% | 0.307 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -41 | -178.7 | -82.5 | 77.4 | 0 | 0 | 0 | 112.3 | I121 T124 M128 I190 L191 S198 | I121-W194 HydrophobicContact CG2-CH2 4.37Å; T124-W194 HydrophobicContact CG2-CD2 3.8Å; T124-W194 HydrophobicContact CG2-CE3 4.3Å; T124-W194 HydrophobicContact CG2-CG 4.07Å; T124-W194 HydrophobicContact CG2-CZ2 4.12Å; M128-W194 HydrophobicContact CE-CZ2 3.93Å; I190-W194 VanDerWaalsContact O-CD1 3.26Å; I190-W194 PolarHBondContact O-N 3.42Å; L191-W194 PolarHBondContact O-N 2.75Å; W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.47Å; W194-S198 PolarHBondContact O-OG 3.45Å |
| 195 | L | 93.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.2 | -73.8 | 171.1 | 0 | 0 | 0 | 111 | L191 S198 L199 A230 L233 T234 | L191-L195 VanDerWaalsContact O-CB 3.27Å; L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 WeakPolarHBondContact O-CG 3.42Å; L191-L195 PolarHBondContact O-N 3.23Å; L195-S198 PolarHBondContact O-N 2.92Å; L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.99Å; L195-A230 HydrophobicContact CB-CB 4.01Å; L195-L233 HydrophobicContact CD1-CD1 4.45Å; L195-T234 HydrophobicContact CD1-CG2 4.13Å |
| 196 | C | 91.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | S192 L193 L199 A200 A230 | S192-C196 WeakPolarHBondContact O-CB 3.4Å; S192-C196 PolarHBondContact O-N 3.43Å; L193-C196 PolarHBondContact O-N 3.42Å; C196-L199 PolarHBondContact O-N 3.27Å; C196-A200 VanDerWaalsContact O-CB 3.24Å; C196-A200 WeakPolarHBondContact O-CB 3.46Å; C196-A200 PolarHBondContact O-N 3.49Å; C196-A230 HydrophobicContact CB-CB 4.05Å |
| 197 | N | 89.8 | Confident | 88.2 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -36.7 | -177.5 | -74.1 | -2.1 | 0 | 0 | 0 | 112.5 | T124 L193 A200 Y201 | T124-N197 HydrophobicContact CG2-CB 4.21Å; T124-N197 WeakPolarHBondContact CG2-ND2 3.37Å; T124-N197 PolarHBondContact OG1-ND2 3.31Å; L193-N197 WeakPolarHBondContact O-CB 3.39Å; L193-N197 PolarHBondContact O-N 2.84Å; N197-A200 PolarHBondContact O-N 2.96Å; N197-Y201 WeakPolarHBondContact O-CB 3.35Å; N197-Y201 PolarHBondContact O-N 3.45Å |
| 198 | S | 88.1 | Confident | 86.7 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | W194 L195 Y201 L202 | W194-S198 WeakPolarHBondContact O-CB 3.2Å; W194-S198 PolarHBondContact O-N 3.47Å; W194-S198 PolarHBondContact O-OG 3.45Å; L195-S198 PolarHBondContact O-N 2.92Å; S198-Y201 PolarHBondContact O-N 3.31Å; S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.49Å |
| 199 | L | 88.1 | Confident | 85.1 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176 | -73.2 | 170.6 | 0 | 0 | 0 | 111.4 | L195 C196 Y201 L202 V203 T226 | L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.99Å; C196-L199 PolarHBondContact O-N 3.27Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.28Å; L199-L202 PolarHBondContact O-N 3.19Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 2.68Å; L199-T226 HydrophobicContact CB-CG2 3.63Å |
| 200 | A | 85.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C196 N197 V203 N204 Q223 | C196-A200 VanDerWaalsContact O-CB 3.24Å; C196-A200 WeakPolarHBondContact O-CB 3.46Å; C196-A200 PolarHBondContact O-N 3.49Å; N197-A200 PolarHBondContact O-N 2.96Å; A200-V203 PolarHBondContact O-N 2.88Å; A200-N204 WeakPolarHBondContact O-CB 3.44Å; A200-N204 PolarHBondContact O-N 2.88Å; A200-N204 PolarHBondContact O-ND2 2.83Å; A200-Q223 HydrophobicContact CB-CG 4.42Å |
| 201 | Y | 84.6 | Confident | 81.2 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 173.2 | 175.7 | -104.5 | 0 | 0 | 0 | 111.4 | F117 V120 N197 S198 L199 V203 N204 T205 | F117-Y201 HydrophobicContact CD2-CE1 4.09Å; V120-Y201 HydrophobicContact CG2-CD2 3.93Å; N197-Y201 WeakPolarHBondContact O-CB 3.35Å; N197-Y201 PolarHBondContact O-N 3.45Å; S198-Y201 PolarHBondContact O-N 3.31Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.28Å; Y201-V203 PolarHBondContact O-N 3.46Å; Y201-N204 PolarHBondContact O-N 3.05Å; Y201-T205 WeakPolarHBondContact O-CB 3.26Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.89Å |
| 202 | L | 84.4 | Confident | 79.2 | Confident | 80 Ų | 80 | 66 Ų | 66 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.3 | -69.7 | 172.3 | 0 | 0 | 0 | 112 | S198 L199 N204 T205 Y206 | S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.26Å; S198-L202 PolarHBondContact O-N 3.49Å; L199-L202 PolarHBondContact O-N 3.19Å; L202-N204 VanDerWaalsContact C-N 3.35Å; L202-N204 PolarHBondContact O-N 2.91Å; L202-T205 PolarHBondContact O-N 2.89Å; L202-Y206 HydrophobicContact CB-CD2 4.47Å; L202-Y206 HydrophobicContact CD2-CD2 4.13Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 VanDerWaalsContact O-CD2 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.32Å; L202-Y206 PolarHBondContact O-N 3.36Å |
| 203 | V | 83 | Confident | 77.3 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | L199 A200 Y201 T205 A207 S222 T226 | L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.16Å; L199-V203 PolarHBondContact O-N 2.68Å; A200-V203 PolarHBondContact O-N 2.88Å; Y201-V203 PolarHBondContact O-N 3.46Å; V203-T205 PolarHBondContact O-N 3.09Å; V203-A207 HydrophobicContact CG1-CB 4.02Å; V203-A207 WeakPolarHBondContact O-CA 3.39Å; V203-A207 WeakPolarHBondContact O-CB 3.36Å; V203-A207 PolarHBondContact O-N 3.45Å; V203-S222 WeakPolarHBondContact CB-OG 3.23Å; V203-S222 WeakPolarHBondContact CG1-OG 3.37Å; V203-T226 HydrophobicContact CG2-CG2 4.13Å |
| 204 | N | 79 | Confident | 75.6 | Confident | 44 Ų | 44 | 74 Ų | 74 | 24% | 0.235 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 179.1 | -68.4 | -29.8 | 0 | 0 | 0 | 112 | A200 Y201 L202 L208 | A200-N204 WeakPolarHBondContact O-CB 3.44Å; A200-N204 PolarHBondContact O-N 2.88Å; A200-N204 PolarHBondContact O-ND2 2.83Å; Y201-N204 PolarHBondContact O-N 3.05Å; L202-N204 VanDerWaalsContact C-N 3.35Å; L202-N204 PolarHBondContact O-N 2.91Å; N204-L208 HydrophobicContact CB-CD1 4.47Å; N204-L208 WeakPolarHBondContact O-CB 3.22Å; N204-L208 WeakPolarHBondContact OD1-CD1 3.45Å |
| 205 | T | 78.4 | Confident | 74.1 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76.1 | -39.6 | 179.9 | -61 | 0 | 0 | 0 | 0 | 112.7 | Y201 L202 V203 | Y201-T205 WeakPolarHBondContact O-CB 3.26Å; Y201-T205 PolarHBondContact O-N 3.39Å; Y201-T205 PolarHBondContact O-OG1 2.89Å; L202-T205 PolarHBondContact O-N 2.89Å; V203-T205 PolarHBondContact O-N 3.09Å |
| 206 | Y | 75.6 | Confident | 72.6 | Confident | 189 Ų | 189 | 77.5 Ų | 77.5 | 74% | 0.741 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -96 | -26.2 | -174.3 | -72.9 | -76.9 | 0 | 0 | 0 | 114.8 | L202 | L202-Y206 HydrophobicContact CB-CD2 4.47Å; L202-Y206 HydrophobicContact CD2-CD2 4.13Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 VanDerWaalsContact O-CD2 3.32Å; L202-Y206 WeakPolarHBondContact O-CD2 3.32Å; L202-Y206 PolarHBondContact O-N 3.36Å |
| 207 | A | 68.8 | Low | 71.5 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -105.8 | -19.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V203 | V203-A207 HydrophobicContact CG1-CB 4.02Å; V203-A207 WeakPolarHBondContact O-CA 3.39Å; V203-A207 WeakPolarHBondContact O-CB 3.36Å; V203-A207 PolarHBondContact O-N 3.45Å |
| 208 | L | 65.3 | Low | 70.4 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 16% | 0.157 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -107.3 | 4.8 | -175.4 | -64.3 | 177 | 0 | 0 | 0 | 114.5 | N204 S210 M218 | N204-L208 HydrophobicContact CB-CD1 4.47Å; N204-L208 WeakPolarHBondContact O-CB 3.22Å; N204-L208 WeakPolarHBondContact OD1-CD1 3.45Å; L208-S210 PolarHBondContact O-N 2.97Å; L208-M218 HydrophobicContact CD2-CB 4.2Å; L208-M218 HydrophobicContact CD2-CE 4.03Å; L208-M218 HydrophobicContact CD2-SD 4.3Å |
| 209 | D | 61.3 | Low | 69.6 | Low | 151 Ų | 151 | 87.3 Ų | 87.3 | 81% | 0.807 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 7.1 | -178.4 | -134 | 15.1 | 0 | 0 | 0 | 113.9 | ||
| 210 | S | 54.2 | Low | 69 | Low | 115 Ų | 115 | 87.9 Ų | 87.9 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | 27.8 | -173.7 | 62 | 0 | 0 | 0 | 0 | 116.6 | L208 | L208-S210 PolarHBondContact O-N 2.97Š|
| 211 | G | 55.8 | Low | 68.8 | Low | 43 Ų | 43 | 95.4 Ų | 95.4 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | trans | 178.8 | 105.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S213 | G211-S213 PolarHBondContact O-N 3.4Š| ||
| 212 | V | 54.7 | Low | 68.5 | Low | 135 Ų | 135 | 93 Ų | 93 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.8 | -165.3 | 171.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 213 | S | 54.5 | Low | 68.4 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 83% | 0.825 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -8.9 | -170.9 | 53.2 | 0 | 0 | 0 | 0 | 117 | G211 | G211-S213 PolarHBondContact O-N 3.4Š|
| 214 | T | 58.2 | Low | 68.5 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -116.4 | 29.6 | -178.3 | -34.8 | 0 | 0 | 0 | 0 | 112.9 | M218 | T214-M218 HydrophobicContact CG2-CG 4.16Å; T214-M218 HydrophobicContact CG2-SD 4.06Å; T214-M218 WeakPolarHBondContact O-CB 3.38Å; T214-M218 VanDerWaalsContact O-CG 3.31Å; T214-M218 WeakPolarHBondContact O-CG 3.3Å |
| 215 | M | 61.2 | Low | 68.9 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 42% | 0.424 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.1 | -37.3 | -162.4 | -61.9 | -175.3 | 75.8 | 0 | 0 | 115.2 | K219 | M215-K219 WeakPolarHBondContact O-CB 3.32Å; M215-K219 PolarHBondContact O-N 2.99Å |
| 216 | N | 63.7 | Low | 69.3 | Low | 135 Ų | 135 | 93.6 Ų | 93.6 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.8 | -38.9 | -170.8 | -72.5 | -19.7 | 0 | 0 | 0 | 113.6 | S220 | N216-S220 PolarHBondContact O-N 2.98Å; N216-S220 PolarHBondContact O-OG 3.06Å |
| 217 | E | 67.8 | Low | 69.9 | Low | 137 Ų | 137 | 85.7 Ų | 85.7 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -47.8 | 176.2 | -65.6 | -173 | 179.1 | 0 | 0 | 110.6 | K219 S220 Y221 | E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.44Å; E217-S220 WeakPolarHBondContact O-CB 3.32Å; E217-S220 PolarHBondContact O-N 3.13Å; E217-S220 VanDerWaalsContact O-N 3.09Å; E217-Y221 HydrophobicContact CB-CE2 4.32Å; E217-Y221 WeakPolarHBondContact O-CD2 3.37Å; E217-Y221 PolarHBondContact O-N 3.06Å |
| 218 | M | 67.3 | Low | 70.9 | Confident | 97 Ų | 97 | 89 Ų | 89 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 177.2 | -71.2 | -178.4 | 76.6 | 0 | 0 | 112.5 | L208 T214 Y221 S222 | L208-M218 HydrophobicContact CD2-CB 4.2Å; L208-M218 HydrophobicContact CD2-CE 4.03Å; L208-M218 HydrophobicContact CD2-SD 4.3Å; T214-M218 HydrophobicContact CG2-CG 4.16Å; T214-M218 HydrophobicContact CG2-SD 4.06Å; T214-M218 WeakPolarHBondContact O-CB 3.38Å; T214-M218 VanDerWaalsContact O-CG 3.31Å; T214-M218 WeakPolarHBondContact O-CG 3.3Å; M218-Y221 PolarHBondContact O-N 3.47Å; M218-S222 VanDerWaalsContact O-CB 3.25Å; M218-S222 WeakPolarHBondContact O-CB 3.41Å; M218-S222 PolarHBondContact O-N 2.91Å |
| 219 | K | 69.9 | Low | 72.1 | Confident | 94 Ų | 94 | 92.4 Ų | 92.4 | 41% | 0.409 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 174.5 | -173.5 | 176.2 | -177.1 | -178 | 0 | 112.1 | M215 E217 S222 Q223 | M215-K219 WeakPolarHBondContact O-CB 3.32Å; M215-K219 PolarHBondContact O-N 2.99Å; E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.44Å; K219-S222 PolarHBondContact O-N 3.5Å; K219-Q223 WeakPolarHBondContact O-CB 3.34Å; K219-Q223 WeakPolarHBondContact O-CG 3.4Å; K219-Q223 PolarHBondContact O-N 2.91Å |
| 220 | S | 76.4 | Confident | 73.5 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | N216 E217 Q223 A224 | N216-S220 PolarHBondContact O-N 2.98Å; N216-S220 PolarHBondContact O-OG 3.06Å; E217-S220 WeakPolarHBondContact O-CB 3.32Å; E217-S220 PolarHBondContact O-N 3.13Å; E217-S220 VanDerWaalsContact O-N 3.09Å; S220-Q223 PolarHBondContact O-N 2.73Å; S220-A224 PolarHBondContact O-N 3.47Å |
| 221 | Y | 79.7 | Confident | 75.2 | Confident | 164 Ų | 164 | 82.4 Ų | 82.4 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 173.7 | -72.6 | -67.3 | 0 | 0 | 0 | 112.2 | E217 M218 Q223 A224 V225 | E217-Y221 HydrophobicContact CB-CE2 4.32Å; E217-Y221 WeakPolarHBondContact O-CD2 3.37Å; E217-Y221 PolarHBondContact O-N 3.06Å; M218-Y221 PolarHBondContact O-N 3.47Å; Y221-Q223 VanDerWaalsContact C-N 3.35Å; Y221-Q223 PolarHBondContact O-N 3.42Å; Y221-A224 PolarHBondContact O-N 2.85Å; Y221-V225 WeakPolarHBondContact O-CG2 3.18Å; Y221-V225 PolarHBondContact O-N 3.48Å |
| 222 | S | 80.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 84.5 Ų | 84.5 | 11% | 0.112 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | V203 M218 K219 A224 V225 T226 | V203-S222 WeakPolarHBondContact CB-OG 3.23Å; V203-S222 WeakPolarHBondContact CG1-OG 3.37Å; M218-S222 VanDerWaalsContact O-CB 3.25Å; M218-S222 WeakPolarHBondContact O-CB 3.41Å; M218-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-N 3.5Å; S222-A224 PolarHBondContact O-N 3.38Å; S222-V225 PolarHBondContact O-N 2.87Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 VanDerWaalsContact O-CG2 3.3Å; S222-T226 WeakPolarHBondContact O-CG2 3.36Å; S222-T226 PolarHBondContact O-N 3.26Å; S222-T226 PolarHBondContact O-OG1 3.45Å |
| 223 | Q | 81 | Confident | 78.7 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.7 | -75.9 | -179.7 | -31.7 | 0 | 0 | 112.5 | A200 K219 S220 Y221 T226 G227 | A200-Q223 HydrophobicContact CB-CG 4.42Å; K219-Q223 WeakPolarHBondContact O-CB 3.34Å; K219-Q223 WeakPolarHBondContact O-CG 3.4Å; K219-Q223 PolarHBondContact O-N 2.91Å; S220-Q223 PolarHBondContact O-N 2.73Å; Y221-Q223 VanDerWaalsContact C-N 3.35Å; Y221-Q223 PolarHBondContact O-N 3.42Å; Q223-T226 WeakPolarHBondContact CA-OG1 3.18Å; Q223-T226 PolarHBondContact O-OG1 2.84Å; Q223-T226 VanDerWaalsContact O-OG1 3.14Å; Q223-G227 PolarHBondContact O-N 3.46Å |
| 224 | A | 85.4 | Confident | 80.6 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | S220 Y221 S222 F228 | S220-A224 PolarHBondContact O-N 3.47Å; Y221-A224 PolarHBondContact O-N 2.85Å; S222-A224 PolarHBondContact O-N 3.38Å; A224-F228 PolarHBondContact O-N 2.77Å |
| 225 | V | 86.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -49.9 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Y221 S222 G227 F228 F229 | Y221-V225 WeakPolarHBondContact O-CG2 3.18Å; Y221-V225 PolarHBondContact O-N 3.48Å; S222-V225 PolarHBondContact O-N 2.87Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.14Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 2.94Å; V225-F228 VanDerWaalsContact O-N 3.16Å; V225-F229 HydrophobicContact CG1-CD2 3.79Å; V225-F229 HydrophobicContact CG1-CE2 3.61Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 2.77Å |
| 226 | T | 87.5 | Confident | 84 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.5 | 52 | 0 | 0 | 0 | 0 | 111.9 | L199 V203 S222 Q223 F229 A230 | L199-T226 HydrophobicContact CB-CG2 3.63Å; V203-T226 HydrophobicContact CG2-CG2 4.13Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 VanDerWaalsContact O-CG2 3.3Å; S222-T226 WeakPolarHBondContact O-CG2 3.36Å; S222-T226 PolarHBondContact O-N 3.26Å; S222-T226 PolarHBondContact O-OG1 3.45Å; Q223-T226 WeakPolarHBondContact CA-OG1 3.18Å; Q223-T226 PolarHBondContact O-OG1 2.84Å; Q223-T226 VanDerWaalsContact O-OG1 3.14Å; T226-F229 PolarHBondContact O-N 3.32Å; T226-A230 WeakPolarHBondContact O-CB 3.39Å; T226-A230 PolarHBondContact O-N 3.2Å |
| 227 | G | 89 | Confident | 85.6 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q223 V225 A230 S231 | Q223-G227 PolarHBondContact O-N 3.46Å; V225-G227 VanDerWaalsContact C-N 3.31Å; V225-G227 PolarHBondContact O-N 3.14Å; G227-A230 PolarHBondContact O-N 3.46Å; G227-S231 WeakPolarHBondContact O-CB 3.45Å; G227-S231 PolarHBondContact O-N 3.34Å; G227-S231 PolarHBondContact O-OG 2.9Å |
| 228 | F | 89.7 | Confident | 87 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61 | -48.3 | 174.7 | 178.8 | -98.1 | 0 | 0 | 0 | 111.6 | A224 V225 A230 S231 M232 | A224-F228 PolarHBondContact O-N 2.77Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 2.94Å; V225-F228 VanDerWaalsContact O-N 3.16Å; F228-A230 PolarHBondContact O-N 3.34Å; F228-S231 PolarHBondContact O-N 3.48Å; F228-S231 PolarHBondContact O-OG 3.36Å; F228-M232 PolarHBondContact O-N 2.94Å |
| 229 | F | 89.9 | Confident | 88.4 | Confident | 103 Ų | 103 | 58 Ų | 58 | 45% | 0.452 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177 | -80.3 | -72.3 | 0 | 0 | 0 | 112.6 | V225 T226 S231 M232 L233 | V225-F229 HydrophobicContact CG1-CD2 3.79Å; V225-F229 HydrophobicContact CG1-CE2 3.61Å; V225-F229 VanDerWaalsContact O-CD2 3.22Å; V225-F229 WeakPolarHBondContact O-CD2 3.39Å; V225-F229 PolarHBondContact O-N 2.77Å; T226-F229 PolarHBondContact O-N 3.32Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.97Å; F229-M232 HydrophobicContact CD1-CE 4.32Å; F229-M232 PolarHBondContact O-N 3.41Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.09Å |
| 230 | A | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L195 C196 T226 G227 F228 M232 L233 T234 | L195-A230 HydrophobicContact CB-CB 4.01Å; C196-A230 HydrophobicContact CB-CB 4.05Å; T226-A230 WeakPolarHBondContact O-CB 3.39Å; T226-A230 PolarHBondContact O-N 3.2Å; G227-A230 PolarHBondContact O-N 3.46Å; F228-A230 PolarHBondContact O-N 3.34Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 2.94Å; A230-L233 PolarHBondContact O-N 3.03Å; A230-T234 WeakPolarHBondContact O-CG2 3.32Å; A230-T234 PolarHBondContact O-N 3.2Å; A230-T234 PolarHBondContact O-OG1 3.47Å |
| 231 | S | 90 | Very high | 90.7 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | G227 F228 F229 Y235 | G227-S231 WeakPolarHBondContact O-CB 3.45Å; G227-S231 PolarHBondContact O-N 3.34Å; G227-S231 PolarHBondContact O-OG 2.9Å; F228-S231 PolarHBondContact O-N 3.48Å; F228-S231 PolarHBondContact O-OG 3.36Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.97Å; S231-Y235 WeakPolarHBondContact O-CB 3.37Å; S231-Y235 PolarHBondContact O-N 2.92Å |
| 232 | M | 90.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.4 | -170.8 | 166.6 | 77.3 | 0 | 0 | 111.2 | F228 F229 A230 | F228-M232 PolarHBondContact O-N 2.94Å; F229-M232 HydrophobicContact CD1-CE 4.32Å; F229-M232 PolarHBondContact O-N 3.41Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 2.94Å |
| 233 | L | 92.4 | Very high | 92.2 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 59% | 0.592 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.4 | -36.9 | 177.1 | -68.4 | 174.3 | 0 | 0 | 0 | 112.4 | L195 F229 A230 | L195-L233 HydrophobicContact CD1-CD1 4.45Å; F229-L233 WeakPolarHBondContact O-CG 3.32Å; F229-L233 PolarHBondContact O-N 3.47Å; F229-L233 VanDerWaalsContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 3.03Å |
| 234 | T | 94.9 | Very high | 93 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -90.8 | -1.4 | -179 | 61 | 0 | 0 | 0 | 0 | 114.1 | L191 L195 A230 P236 F237 | L191-T234 HydrophobicContact CB-CG2 3.94Å; L195-T234 HydrophobicContact CD1-CG2 4.13Å; A230-T234 WeakPolarHBondContact O-CG2 3.32Å; A230-T234 PolarHBondContact O-N 3.2Å; A230-T234 PolarHBondContact O-OG1 3.47Å; T234-P236 VanDerWaalsContact C-CD 3.47Å; T234-F237 WeakPolarHBondContact O-CB 3.37Å; T234-F237 PolarHBondContact O-N 3.45Å |
| 235 | Y | 95.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -48.7 | -45.9 | 177.4 | 178.4 | -89.8 | 0 | 0 | 0 | 114.5 | Q29 S231 F237 V238 L239 R280 G281 N282 | Q29-Y235 PolarHBondContact NE2-OH 3.22Å; S231-Y235 WeakPolarHBondContact O-CB 3.37Å; S231-Y235 PolarHBondContact O-N 2.92Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-F237 VanDerWaalsContact O-N 3.13Å; Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 PolarHBondContact O-N 3.45Å; Y235-L239 HydrophobicContact CE1-CB 4.07Å; Y235-L239 HydrophobicContact CE1-CD2 4.33Å; Y235-L239 PolarHBondContact O-N 2.95Å; Y235-R280 PolarHBondContact OH-O 3.06Å; Y235-G281 PolarHBondContact OH-O 3.36Å; Y235-N282 HydrophobicContact CD1-CB 4.09Å; Y235-N282 HydrophobicContact CD2-CB 4.31Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.31Å; Y235-N282 HydrophobicContact CE1-CB 3.79Å; Y235-N282 HydrophobicContact CE2-CB 4Å; Y235-N282 HydrophobicContact CG-CB 4.35Å; Y235-N282 PolarHBondContact OH-N 3.44Å; Y235-N282 VanDerWaalsContact OH-N 3.13Å |
| 236 | P | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -44.5 | -41.5 | 172.8 | -40 | 44.3 | 0 | 0 | 0 | 115.7 | T234 L239 V240 W269 M278 | T234-P236 VanDerWaalsContact C-CD 3.47Å; P236-L239 PolarHBondContact O-N 3.05Å; P236-V240 WeakPolarHBondContact O-CG2 3.3Å; P236-V240 PolarHBondContact O-N 3.36Å; P236-W269 HydrophobicContact CB-CH2 3.29Å; P236-W269 HydrophobicContact CB-CZ2 4.05Å; P236-W269 HydrophobicContact CB-CZ3 3.56Å; P236-W269 HydrophobicContact CG-CH2 4.31Å; P236-M278 HydrophobicContact CB-CE 3.56Å; P236-M278 HydrophobicContact CG-CE 4.16Å |
| 237 | F | 96.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | -179.3 | -73.3 | -82.8 | 0 | 0 | 0 | 112 | P184 L187 L191 T234 Y235 S241 W269 | P184-F237 HydrophobicContact CB-CD1 4.39Å; P184-F237 WeakPolarHBondContact O-CB 3.43Å; L187-F237 HydrophobicContact CB-CD1 4Å; L187-F237 HydrophobicContact CB-CE1 3.95Å; L187-F237 HydrophobicContact CD1-CE1 4.33Å; L191-F237 HydrophobicContact CD1-CD2 4.4Å; L191-F237 HydrophobicContact CD1-CE1 4.39Å; L191-F237 HydrophobicContact CD1-CE2 3.66Å; L191-F237 HydrophobicContact CD1-CZ 3.65Å; T234-F237 WeakPolarHBondContact O-CB 3.37Å; T234-F237 PolarHBondContact O-N 3.45Å; Y235-F237 PolarHBondContact O-N 2.97Å; Y235-F237 VanDerWaalsContact O-N 3.13Å; F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.48Å; F237-S241 PolarHBondContact O-N 3.22Å; F237-W269 AromaticContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.05Å; F237-W269 HydrophobicContact CE1-CH2 4.34Å; F237-W269 AromaticContact CE1-CZ3 3.91Å; F237-W269 HydrophobicContact CE1-CZ3 3.91Å; F237-W269 AromaticContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CZ3 4.06Å; F237-W269 HydrophobicContact CG-CH2 4.47Å; F237-W269 AromaticContact CG-CZ3 3.97Å; F237-W269 HydrophobicContact CG-CZ3 3.97Å; F237-W269 AromaticContact CZ-CH2 3.93Å; F237-W269 HydrophobicContact CZ-CH2 3.93Å; F237-W269 AromaticContact CZ-CZ3 3.99Å; F237-W269 HydrophobicContact CZ-CZ3 3.99Å |
| 238 | V | 95.9 | Very high | 94.5 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | Y235 S241 N242 | Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 PolarHBondContact O-N 3.45Å; V238-S241 PolarHBondContact O-N 3.41Å; V238-N242 VanDerWaalsContact O-CG 3.26Å; V238-N242 PolarHBondContact O-N 2.96Å |
| 239 | L | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -53.2 | 176.6 | 174.7 | 61.2 | 0 | 0 | 0 | 111.3 | Q29 Y235 P236 S241 N242 L243 L272 N277 M278 R280 | Q29-L239 HydrophobicContact CB-CD1 3.73Å; Q29-L239 HydrophobicContact CG-CD1 3.76Å; Y235-L239 HydrophobicContact CE1-CB 4.07Å; Y235-L239 HydrophobicContact CE1-CD2 4.33Å; Y235-L239 PolarHBondContact O-N 2.95Å; P236-L239 PolarHBondContact O-N 3.05Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3Å; L239-N242 PolarHBondContact O-N 3.16Å; L239-L243 HydrophobicContact CD1-CD1 4.13Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 4.19Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.35Å; L239-L272 HydrophobicContact CD2-CD1 4Å; L239-L272 HydrophobicContact CG-CD1 4.15Å; L239-N277 WeakPolarHBondContact CD2-O 3.31Å; L239-M278 WeakPolarHBondContact CD2-O 3.36Å; L239-R280 HydrophobicContact CD2-CB 4.15Å |
| 240 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | 179.8 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | P184 P236 N242 L243 M244 W265 C268 W269 L272 | P184-V240 HydrophobicContact CB-CB 4.46Å; P184-V240 HydrophobicContact CB-CG1 4.17Å; P184-V240 HydrophobicContact CG-CG1 4.2Å; P236-V240 WeakPolarHBondContact O-CG2 3.3Å; P236-V240 PolarHBondContact O-N 3.36Å; V240-N242 PolarHBondContact O-N 2.92Å; V240-L243 PolarHBondContact O-N 3.43Å; V240-M244 HydrophobicContact CG1-CG 4.23Å; V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 VanDerWaalsContact O-CG 3.25Å; V240-M244 WeakPolarHBondContact O-CG 3.4Å; V240-M244 PolarHBondContact O-N 2.89Å; V240-W265 HydrophobicContact CG1-CB 3.94Å; V240-W265 WeakPolarHBondContact CG1-O 3.34Å; V240-C268 HydrophobicContact CG1-CB 4.21Å; V240-W269 HydrophobicContact CB-CE3 4.48Å; V240-W269 HydrophobicContact CG2-CB 4.3Å; V240-W269 HydrophobicContact CG2-CD2 4.46Å; V240-W269 HydrophobicContact CG2-CE3 3.79Å; V240-L272 HydrophobicContact CG2-CD1 3.86Å |
| 241 | S | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 174 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | G181 R185 F237 V238 L239 L243 M244 A245 | G181-S241 WeakPolarHBondContact O-CB 3.12Å; G181-S241 PolarHBondContact O-OG 3.33Å; R185-S241 WeakPolarHBondContact CB-OG 3.37Å; F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.48Å; F237-S241 PolarHBondContact O-N 3.22Å; V238-S241 PolarHBondContact O-N 3.41Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-S241 PolarHBondContact O-N 3Å; S241-L243 PolarHBondContact O-N 3.09Å; S241-M244 PolarHBondContact O-N 2.98Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.72Å |
| 242 | N | 97 | Very high | 94.5 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | -178.6 | -69.7 | -7.7 | 0 | 0 | 0 | 112 | Q29 H142 L146 V238 L239 V240 A245 V246 | Q29-N242 PolarHBondContact OE1-ND2 3.43Å; H142-N242 PolarHBondContact NE2-OD1 3.3Å; L146-N242 HydrophobicContact CD1-CB 3.97Å; L146-N242 HydrophobicContact CD2-CB 4.46Å; V238-N242 VanDerWaalsContact O-CG 3.26Å; V238-N242 PolarHBondContact O-N 2.96Å; L239-N242 PolarHBondContact O-N 3.16Å; V240-N242 PolarHBondContact O-N 2.92Å; N242-A245 PolarHBondContact O-N 3.02Å; N242-V246 PolarHBondContact O-N 2.87Å |
| 243 | L | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 174.5 | -71.2 | 176.9 | 0 | 0 | 0 | 111.6 | Q29 V30 L239 V240 S241 A245 V246 N247 Y262 L272 | Q29-L243 WeakPolarHBondContact O-CD2 3.32Å; V30-L243 HydrophobicContact CB-CD2 4.43Å; V30-L243 HydrophobicContact CG1-CD2 4.25Å; L239-L243 HydrophobicContact CD1-CD1 4.13Å; L239-L243 HydrophobicContact CD1-CG 4.22Å; L239-L243 HydrophobicContact CG-CD1 4.19Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.35Å; V240-L243 PolarHBondContact O-N 3.43Å; S241-L243 PolarHBondContact O-N 3.09Å; L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 2.99Å; L243-V246 WeakPolarHBondContact O-CG2 3.35Å; L243-V246 PolarHBondContact O-N 2.87Å; L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 3.17Å; L243-Y262 HydrophobicContact CB-CE2 4.46Å; L243-L272 HydrophobicContact CD1-CD1 3.45Å; L243-L272 VanDerWaalsContact CD1-CD1 3.45Å; L243-L272 HydrophobicContact CD1-CD2 4.1Å; L243-L272 HydrophobicContact CD1-CG 4.16Å |
| 244 | M | 96.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 16.5 Ų | 16.5 | 13% | 0.128 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -33.1 | 177.6 | -71 | -55.1 | -55.6 | 0 | 0 | 112.5 | V240 S241 V246 N247 Y262 W265 C268 | V240-M244 HydrophobicContact CG1-CG 4.23Å; V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 VanDerWaalsContact O-CG 3.25Å; V240-M244 WeakPolarHBondContact O-CG 3.4Å; V240-M244 PolarHBondContact O-N 2.89Å; S241-M244 PolarHBondContact O-N 2.98Å; M244-V246 PolarHBondContact O-N 3.17Å; M244-N247 PolarHBondContact O-N 3.04Å; M244-Y262 HydrophobicContact SD-CD2 4.39Å; M244-Y262 HydrophobicContact SD-CG 4.45Å; M244-W265 HydrophobicContact CG-CB 3.93Å; M244-W265 HydrophobicContact SD-CB 4.48Å; M244-C268 HydrophobicContact SD-CB 3.88Å |
| 245 | A | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -25.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V143 L146 R147 S241 N242 L243 | V143-A245 HydrophobicContact CG2-CB 4.13Å; L146-A245 HydrophobicContact CD1-CB 3.54Å; R147-A245 PolarHBondContact NE-O 3.02Å; R147-A245 PolarHBondContact NH2-O 2.91Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 2.72Å; N242-A245 PolarHBondContact O-N 3.02Å; L243-A245 VanDerWaalsContact C-N 3.28Å; L243-A245 PolarHBondContact O-N 2.99Å |
| 246 | V | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -111.5 | -0.4 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | V30 L146 R147 V150 N242 L243 M244 N248 C249 G254 | V30-V246 HydrophobicContact CG1-CG2 3.72Å; L146-V246 HydrophobicContact CB-CG1 3.91Å; R147-V246 HydrophobicContact CG-CG1 4.23Å; V150-V246 HydrophobicContact CB-CG1 4.38Å; V150-V246 HydrophobicContact CG1-CB 4.47Å; V150-V246 HydrophobicContact CG2-CB 4.41Å; V150-V246 HydrophobicContact CG2-CG1 3.92Å; N242-V246 PolarHBondContact O-N 2.87Å; L243-V246 WeakPolarHBondContact O-CG2 3.35Å; L243-V246 PolarHBondContact O-N 2.87Å; M244-V246 PolarHBondContact O-N 3.17Å; V246-N248 PolarHBondContact O-N 3.49Å; V246-C249 PolarHBondContact O-SG 3.04Å; V246-G254 WeakPolarHBondContact O-CA 3.34Å |
| 247 | N | 95.4 | Very high | 93.2 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 124 | -179.7 | 179.1 | 63.7 | 0 | 0 | 0 | 110.5 | L243 M244 C249 I261 Y262 | L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 3.17Å; M244-N247 PolarHBondContact O-N 3.04Å; N247-C249 PolarHBondContact O-N 2.95Å; N247-C249 VanDerWaalsContact O-N 3.12Å; N247-I261 WeakPolarHBondContact OD1-CA 3.46Å; N247-Y262 HydrophobicContact CB-CD2 4.5Å; N247-Y262 PolarHBondContact ND2-O 3.39Å; N247-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; N247-Y262 PolarHBondContact OD1-N 2.86Å |
| 248 | N | 93 | Very high | 92.7 | Very high | 93 Ų | 93 | 29.8 Ų | 29.8 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 34.2 | 174.4 | -161.9 | 38 | 0 | 0 | 0 | 115 | V246 G250 G254 I261 | V246-N248 PolarHBondContact O-N 3.49Å; N248-G250 PolarHBondContact O-N 3.4Å; N248-G254 PolarHBondContact N-O 2.87Å; N248-I261 HydrophobicContact CB-CG2 4.19Å |
| 249 | C | 89.2 | Confident | 92.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -88.5 | 17.1 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 114 | K158 E173 V246 N247 L251 | K158-C249 PolarHBondContact NZ-O 3.44Å; E173-C249 VanDerWaalsContact OE1-CA 3.28Å; E173-C249 WeakPolarHBondContact OE1-CA 3.33Å; E173-C249 WeakPolarHBondContact OE1-CB 3.44Å; V246-C249 PolarHBondContact O-SG 3.04Å; N247-C249 PolarHBondContact O-N 2.95Å; N247-C249 VanDerWaalsContact O-N 3.12Å; C249-L251 PolarHBondContact O-N 3.16Å |
| 250 | G | 87.8 | Confident | 92 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 66.2 | 21.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K158 N248 | K158-G250 PolarHBondContact NZ-O 3.41Å; N248-G250 PolarHBondContact O-N 3.4Å |
| 251 | L | 92.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -98.8 | 145.9 | 163.8 | -70.8 | 178.3 | 0 | 0 | 0 | 109.6 | R147 V150 Q151 E156 K158 Y159 C249 G253 G254 C255 | R147-L251 HydrophobicContact CB-CD1 4.04Å; R147-L251 HydrophobicContact CG-CD1 4.42Å; R147-L251 WeakPolarHBondContact O-CD1 3.26Å; V150-L251 HydrophobicContact CB-CD1 4.18Å; V150-L251 HydrophobicContact CG1-CD1 4.01Å; Q151-L251 HydrophobicContact CB-CD1 4.33Å; Q151-L251 HydrophobicContact CB-CD2 3.77Å; E156-L251 HydrophobicContact CB-CD2 4.32Å; K158-L251 HydrophobicContact CB-CD2 4.23Å; K158-L251 HydrophobicContact CD-CD2 4.03Å; Y159-L251 HydrophobicContact CD2-CD1 4.14Å; Y159-L251 HydrophobicContact CD2-CD2 4.08Å; Y159-L251 HydrophobicContact CD2-CG 4.45Å; Y159-L251 HydrophobicContact CE2-CD1 3.68Å; Y159-L251 HydrophobicContact CE2-CD2 3.72Å; Y159-L251 HydrophobicContact CE2-CG 3.76Å; C249-L251 PolarHBondContact O-N 3.16Å; L251-G253 PolarHBondContact O-N 2.87Å; L251-G254 PolarHBondContact O-N 2.97Å; L251-C255 PolarHBondContact O-N 2.86Å |
| 252 | A | 90.6 | Very high | 91.6 | Very high | 29 Ų | 29 | 35 Ų | 35 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -56.6 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E156 G254 C255 Y258 | E156-A252 PolarHBondContact OE1-N 3.48Å; E156-A252 WeakPolarHBondContact OE2-CB 3.37Å; E156-A252 PolarHBondContact OE2-N 3.21Å; A252-G254 PolarHBondContact O-N 2.91Å; A252-C255 PolarHBondContact O-N 2.99Å; A252-C255 VanDerWaalsContact O-O 3.09Å; A252-Y258 HydrophobicContact CB-CD2 4.24Å; A252-Y258 HydrophobicContact CB-CE2 4.23Å; A252-Y258 WeakPolarHBondContact O-CD2 3.4Å |
| 253 | G | 88.2 | Confident | 91.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -67.5 | -16 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L251 S259 | L251-G253 PolarHBondContact O-N 2.87Å; G253-S259 WeakPolarHBondContact O-CB 3.42Å |
| 254 | G | 89.1 | Confident | 91.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -100.3 | 0.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V246 N248 L251 A252 | V246-G254 WeakPolarHBondContact O-CA 3.34Å; N248-G254 PolarHBondContact N-O 2.87Å; L251-G254 PolarHBondContact O-N 2.97Å; A252-G254 PolarHBondContact O-N 2.91Å |
| 255 | C | 90.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -132.1 | 161.7 | -171.1 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | L251 A252 Y258 S259 | L251-C255 PolarHBondContact O-N 2.86Å; A252-C255 PolarHBondContact O-N 2.99Å; A252-C255 VanDerWaalsContact O-O 3.09Å; C255-Y258 PolarHBondContact O-N 2.92Å; C255-S259 CarbonylContact C-O 3.06Å; C255-S259 PolarHBondContact O-N 3.26Å |
| 256 | P | 88.8 | Confident | 91.4 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 53% | 0.532 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 143.9 | 171.7 | -23.9 | 35.2 | 0 | 0 | 0 | 110.8 | S259 I261 | P256-S259 WeakPolarHBondContact CA-O 3.29Å; P256-S259 WeakPolarHBondContact CD-O 3.27Å; P256-I261 HydrophobicContact CG-CD1 4.37Å; P256-I261 HydrophobicContact CG-CG1 4.29Å |
| 257 | P | 85.9 | Confident | 91.4 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 81% | 0.805 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | -2.3 | 7.4 | 34.8 | -36.7 | 0 | 0 | 0 | 115.2 | ||
| 258 | Y | 85.2 | Confident | 91.4 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -39.2 | -173.5 | -65 | -75.4 | 0 | 0 | 0 | 113.5 | I153 A252 C255 | I153-Y258 HydrophobicContact CG2-CD1 3.78Å; I153-Y258 HydrophobicContact CG2-CD2 4.1Å; I153-Y258 HydrophobicContact CG2-CE1 3.89Å; I153-Y258 HydrophobicContact CG2-CE2 4.2Å; I153-Y258 HydrophobicContact CG2-CG 3.88Å; A252-Y258 HydrophobicContact CB-CD2 4.24Å; A252-Y258 HydrophobicContact CB-CE2 4.23Å; A252-Y258 WeakPolarHBondContact O-CD2 3.4Å; C255-Y258 PolarHBondContact O-N 2.92Å |
| 259 | S | 87.6 | Confident | 91.6 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -135.4 | 140.1 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | G253 C255 P256 | G253-S259 WeakPolarHBondContact O-CB 3.42Å; C255-S259 CarbonylContact C-O 3.06Å; C255-S259 PolarHBondContact O-N 3.26Å; P256-S259 WeakPolarHBondContact CA-O 3.29Å; P256-S259 WeakPolarHBondContact CD-O 3.27Å |
| 260 | P | 90.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -66 | 157.4 | 165.4 | 31.2 | -35 | 0 | 0 | 0 | 110.3 | Y262 M271 | P260-Y262 HydrophobicContact CG-CE1 3.85Å; P260-Y262 HydrophobicContact CG-CE2 4.38Å; P260-Y262 WeakPolarHBondContact CG-OH 3.26Å; P260-M271 HydrophobicContact CB-CE 4.06Å; P260-M271 HydrophobicContact CG-CE 4.15Å |
| 261 | I | 93.3 | Very high | 92.2 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 124.9 | 175.8 | -61 | 173.1 | 0 | 0 | 0 | 108.3 | N247 N248 P256 | N247-I261 WeakPolarHBondContact OD1-CA 3.46Å; N248-I261 HydrophobicContact CB-CG2 4.19Å; P256-I261 HydrophobicContact CG-CD1 4.37Å; P256-I261 HydrophobicContact CG-CG1 4.29Å |
| 262 | Y | 93.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 136.9 | 176.9 | -51.9 | -69.5 | 0 | 0 | 0 | 110.8 | L243 M244 N247 P260 C268 M271 | L243-Y262 HydrophobicContact CB-CE2 4.46Å; M244-Y262 HydrophobicContact SD-CD2 4.39Å; M244-Y262 HydrophobicContact SD-CG 4.45Å; N247-Y262 HydrophobicContact CB-CD2 4.5Å; N247-Y262 PolarHBondContact ND2-O 3.39Å; N247-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; N247-Y262 PolarHBondContact OD1-N 2.86Å; P260-Y262 HydrophobicContact CG-CE1 3.85Å; P260-Y262 HydrophobicContact CG-CE2 4.38Å; P260-Y262 WeakPolarHBondContact CG-OH 3.26Å; Y262-C268 HydrophobicContact CD1-CB 3.67Å; Y262-C268 HydrophobicContact CD2-CB 3.96Å; Y262-C268 HydrophobicContact CE1-CB 4.12Å; Y262-C268 HydrophobicContact CE2-CB 4.42Å; Y262-C268 HydrophobicContact CG-CB 3.55Å; Y262-M271 HydrophobicContact CD1-SD 3.74Å; Y262-M271 HydrophobicContact CE1-CB 4.11Å; Y262-M271 HydrophobicContact CE1-CE 4.25Å; Y262-M271 HydrophobicContact CE1-CG 4.47Å; Y262-M271 HydrophobicContact CE1-SD 3.7Å |
| 263 | T | 93.3 | Very high | 92.3 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -79.2 | -35.1 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | D267 | T263-D267 PolarHBondContact N-OD2 3Å; T263-D267 WeakPolarHBondContact OG1-CB 3.33Å; T263-D267 PolarHBondContact OG1-OD2 2.86Å |
| 264 | S | 95.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 65 Ų | 65 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -147.5 | 165.6 | -179.9 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | I266 D267 C268 | S264-I266 PolarHBondContact O-N 2.86Å; S264-D267 WeakPolarHBondContact O-CB 3.49Å; S264-D267 PolarHBondContact O-N 3.09Å; S264-D267 WeakPolarHBondContact OG-CB 3.16Å; S264-D267 PolarHBondContact OG-N 3.46Å; S264-D267 VanDerWaalsContact OG-N 3.13Å; S264-C268 PolarHBondContact O-N 3.21Å |
| 265 | W | 96.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.292 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -27.5 | 175.6 | 70.5 | -93.5 | 0 | 0 | 0 | 112.4 | V183 P184 L187 V240 M244 W269 | V183-W265 HydrophobicContact CG1-CZ2 4.34Å; P184-W265 HydrophobicContact CB-CE3 4.48Å; P184-W265 HydrophobicContact CG-CB 4.06Å; P184-W265 HydrophobicContact CG-CG 4.42Å; L187-W265 HydrophobicContact CD1-CH2 4.17Å; L187-W265 HydrophobicContact CD1-CZ2 4.26Å; V240-W265 HydrophobicContact CG1-CB 3.94Å; V240-W265 WeakPolarHBondContact CG1-O 3.34Å; M244-W265 HydrophobicContact CG-CB 3.93Å; M244-W265 HydrophobicContact SD-CB 4.48Å; W265-W269 WeakPolarHBondContact O-CB 3.35Å; W265-W269 PolarHBondContact O-N 3.08Å |
| 266 | I | 96.9 | Very high | 92.3 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 176.3 | -57.1 | 172 | 0 | 0 | 0 | 109.8 | S264 W269 C270 | S264-I266 PolarHBondContact O-N 2.86Å; I266-W269 WeakPolarHBondContact O-CB 3.44Å; I266-W269 PolarHBondContact O-N 3.26Å; I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.19Å; I266-C270 PolarHBondContact O-SG 2.61Å; I266-C270 VanDerWaalsContact O-SG 3.38Å |
| 267 | D | 96.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.3 | -177.7 | 33.4 | 0 | 0 | 0 | 111 | T263 S264 W269 C270 M271 | T263-D267 PolarHBondContact N-OD2 3Å; T263-D267 WeakPolarHBondContact OG1-CB 3.33Å; T263-D267 PolarHBondContact OG1-OD2 2.86Å; S264-D267 WeakPolarHBondContact O-CB 3.49Å; S264-D267 PolarHBondContact O-N 3.09Å; S264-D267 WeakPolarHBondContact OG-CB 3.16Å; S264-D267 PolarHBondContact OG-N 3.46Å; S264-D267 VanDerWaalsContact OG-N 3.13Å; D267-W269 VanDerWaalsContact C-N 3.32Å; D267-W269 PolarHBondContact O-N 3.38Å; D267-C270 PolarHBondContact O-N 3.11Å; D267-M271 WeakPolarHBondContact O-CG 3.48Å; D267-M271 PolarHBondContact O-N 2.97Å |
| 268 | C | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.3 | -46.7 | 172.2 | -175 | 0 | 0 | 0 | 0 | 112.6 | V240 M244 Y262 S264 M271 L272 | V240-C268 HydrophobicContact CG1-CB 4.21Å; M244-C268 HydrophobicContact SD-CB 3.88Å; Y262-C268 HydrophobicContact CD1-CB 3.67Å; Y262-C268 HydrophobicContact CD2-CB 3.96Å; Y262-C268 HydrophobicContact CE1-CB 4.12Å; Y262-C268 HydrophobicContact CE2-CB 4.42Å; Y262-C268 HydrophobicContact CG-CB 3.55Å; S264-C268 PolarHBondContact O-N 3.21Å; C268-M271 PolarHBondContact O-N 2.74Å; C268-L272 WeakPolarHBondContact O-CB 3.41Å; C268-L272 WeakPolarHBondContact O-CG 3.25Å; C268-L272 PolarHBondContact O-N 3.46Å |
| 269 | W | 96.6 | Very high | 92.5 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 176.9 | -174.5 | -70.3 | 0 | 0 | 0 | 112 | P236 F237 V240 W265 I266 D267 M271 L272 Q273 M278 | P236-W269 HydrophobicContact CB-CH2 3.29Å; P236-W269 HydrophobicContact CB-CZ2 4.05Å; P236-W269 HydrophobicContact CB-CZ3 3.56Å; P236-W269 HydrophobicContact CG-CH2 4.31Å; F237-W269 AromaticContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD1-CZ3 3.9Å; F237-W269 HydrophobicContact CD2-CH2 4.09Å; F237-W269 HydrophobicContact CD2-CZ3 4.05Å; F237-W269 HydrophobicContact CE1-CH2 4.34Å; F237-W269 AromaticContact CE1-CZ3 3.91Å; F237-W269 HydrophobicContact CE1-CZ3 3.91Å; F237-W269 AromaticContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CH2 3.8Å; F237-W269 HydrophobicContact CE2-CZ3 4.06Å; F237-W269 HydrophobicContact CG-CH2 4.47Å; F237-W269 AromaticContact CG-CZ3 3.97Å; F237-W269 HydrophobicContact CG-CZ3 3.97Å; F237-W269 AromaticContact CZ-CH2 3.93Å; F237-W269 HydrophobicContact CZ-CH2 3.93Å; F237-W269 AromaticContact CZ-CZ3 3.99Å; F237-W269 HydrophobicContact CZ-CZ3 3.99Å; V240-W269 HydrophobicContact CB-CE3 4.48Å; V240-W269 HydrophobicContact CG2-CB 4.3Å; V240-W269 HydrophobicContact CG2-CD2 4.46Å; V240-W269 HydrophobicContact CG2-CE3 3.79Å; W265-W269 WeakPolarHBondContact O-CB 3.35Å; W265-W269 PolarHBondContact O-N 3.08Å; I266-W269 WeakPolarHBondContact O-CB 3.44Å; I266-W269 PolarHBondContact O-N 3.26Å; D267-W269 VanDerWaalsContact C-N 3.32Å; D267-W269 PolarHBondContact O-N 3.38Å; W269-M271 VanDerWaalsContact C-N 3.31Å; W269-M271 PolarHBondContact O-N 2.74Å; W269-L272 PolarHBondContact O-N 3.43Å; W269-Q273 WeakPolarHBondContact O-CB 3.03Å; W269-Q273 PolarHBondContact O-N 3.28Å; W269-M278 HydrophobicContact CD2-CE 3.61Å; W269-M278 VanDerWaalsContact CE2-CE 3.46Å; W269-M278 HydrophobicContact CE3-CE 3.93Å; W269-M278 HydrophobicContact CG-CE 4.18Å; W269-M278 HydrophobicContact CH2-CE 3.99Å; W269-M278 HydrophobicContact CZ2-CE 3.67Å; W269-M278 HydrophobicContact CZ3-CE 4.1Å |
| 270 | C | 96 | Very high | 92.6 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | -179.4 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | I266 D267 Q273 K274 | I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.19Å; I266-C270 PolarHBondContact O-SG 2.61Å; I266-C270 VanDerWaalsContact O-SG 3.38Å; D267-C270 PolarHBondContact O-N 3.11Å; C270-Q273 PolarHBondContact O-N 2.77Å; C270-K274 WeakPolarHBondContact O-CB 3.49Å; C270-K274 VanDerWaalsContact O-CG 3.27Å; C270-K274 WeakPolarHBondContact O-CG 3.48Å; C270-K274 PolarHBondContact O-N 2.96Å |
| 271 | M | 93.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 61 Ų | 61 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 175.6 | -73 | -172.3 | 67.5 | 0 | 0 | 111.7 | P260 Y262 D267 C268 W269 Q273 K274 E275 | P260-M271 HydrophobicContact CB-CE 4.06Å; P260-M271 HydrophobicContact CG-CE 4.15Å; Y262-M271 HydrophobicContact CD1-SD 3.74Å; Y262-M271 HydrophobicContact CE1-CB 4.11Å; Y262-M271 HydrophobicContact CE1-CE 4.25Å; Y262-M271 HydrophobicContact CE1-CG 4.47Å; Y262-M271 HydrophobicContact CE1-SD 3.7Å; D267-M271 WeakPolarHBondContact O-CG 3.48Å; D267-M271 PolarHBondContact O-N 2.97Å; C268-M271 PolarHBondContact O-N 2.74Å; W269-M271 VanDerWaalsContact C-N 3.31Å; W269-M271 PolarHBondContact O-N 2.74Å; M271-Q273 PolarHBondContact O-N 3.01Å; M271-K274 PolarHBondContact O-N 3.39Å; M271-K274 VanDerWaalsContact O-N 3.17Å; M271-E275 WeakPolarHBondContact O-CG 3.04Å; M271-E275 PolarHBondContact O-N 3.16Å |
| 272 | L | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 177.6 | -75.7 | 174.9 | 0 | 0 | 0 | 112.6 | L239 V240 L243 C268 W269 E275 G276 N277 M278 | L239-L272 HydrophobicContact CD2-CD1 4Å; L239-L272 HydrophobicContact CG-CD1 4.15Å; V240-L272 HydrophobicContact CG2-CD1 3.86Å; L243-L272 HydrophobicContact CD1-CD1 3.45Å; L243-L272 VanDerWaalsContact CD1-CD1 3.45Å; L243-L272 HydrophobicContact CD1-CD2 4.1Å; L243-L272 HydrophobicContact CD1-CG 4.16Å; C268-L272 WeakPolarHBondContact O-CB 3.41Å; C268-L272 WeakPolarHBondContact O-CG 3.25Å; C268-L272 PolarHBondContact O-N 3.46Å; W269-L272 PolarHBondContact O-N 3.43Å; L272-E275 PolarHBondContact O-N 3.49Å; L272-G276 PolarHBondContact O-N 2.9Å; L272-G276 VanDerWaalsContact O-N 3.11Å; L272-N277 HydrophobicContact CD2-CB 3.91Å; L272-N277 PolarHBondContact O-N 3.38Å; L272-M278 HydrophobicContact CB-CG 4.47Å; L272-M278 HydrophobicContact CB-SD 3.36Å; L272-M278 WeakPolarHBondContact CB-SD 3.28Å; L272-M278 HydrophobicContact CD1-SD 4.4Å |
| 273 | Q | 93.4 | Very high | 92 | Very high | 124 Ų | 124 | 62.7 Ų | 62.7 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 176.3 | -174 | 175.2 | -3 | 0 | 0 | 111.5 | W269 C270 M271 E275 G276 M278 | W269-Q273 WeakPolarHBondContact O-CB 3.03Å; W269-Q273 PolarHBondContact O-N 3.28Å; C270-Q273 PolarHBondContact O-N 2.77Å; M271-Q273 PolarHBondContact O-N 3.01Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.08Å; Q273-G276 PolarHBondContact O-N 3.48Å; Q273-G276 VanDerWaalsContact O-N 3.12Å; Q273-M278 HydrophobicContact CB-CG 4.24Å; Q273-M278 HydrophobicContact CB-SD 4.11Å; Q273-M278 PolarHBondContact N-SD 3.42Å |
| 274 | K | 91.1 | Very high | 91.7 | Very high | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.8 | -37.2 | 174.9 | -75.3 | 172.9 | -178.5 | 178.6 | 0 | 112.2 | C270 M271 G276 | C270-K274 WeakPolarHBondContact O-CB 3.49Å; C270-K274 VanDerWaalsContact O-CG 3.27Å; C270-K274 WeakPolarHBondContact O-CG 3.48Å; C270-K274 PolarHBondContact O-N 2.96Å; M271-K274 PolarHBondContact O-N 3.39Å; M271-K274 VanDerWaalsContact O-N 3.17Å; K274-G276 VanDerWaalsContact C-N 3.31Å |
| 275 | E | 87.4 | Confident | 91.2 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.2 | 177 | -66.3 | -177.8 | 179.8 | 0 | 0 | 114.3 | M271 L272 Q273 N277 R280 | M271-E275 WeakPolarHBondContact O-CG 3.04Å; M271-E275 PolarHBondContact O-N 3.16Å; L272-E275 PolarHBondContact O-N 3.49Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.08Å; E275-N277 HydrophobicContact CB-CB 4.19Å; E275-N277 WeakPolarHBondContact CB-ND2 3.16Å; E275-N277 PolarHBondContact O-N 2.94Å; E275-N277 PolarHBondContact OE2-ND2 3.47Å; E275-R280 IonicContact OE2-NH2 3.44Å |
| 276 | G | 87.4 | Confident | 90.5 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 66% | 0.66 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 22.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | L272 Q273 K274 | L272-G276 PolarHBondContact O-N 2.9Å; L272-G276 VanDerWaalsContact O-N 3.11Å; Q273-G276 PolarHBondContact O-N 3.48Å; Q273-G276 VanDerWaalsContact O-N 3.12Å; K274-G276 VanDerWaalsContact C-N 3.31Å |
| 277 | N | 87.8 | Confident | 90.1 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -101.8 | 14.3 | -171.5 | -78.7 | -35.7 | 0 | 0 | 0 | 114.3 | L239 L272 E275 S279 R280 | L239-N277 WeakPolarHBondContact CD2-O 3.31Å; L272-N277 HydrophobicContact CD2-CB 3.91Å; L272-N277 PolarHBondContact O-N 3.38Å; E275-N277 HydrophobicContact CB-CB 4.19Å; E275-N277 WeakPolarHBondContact CB-ND2 3.16Å; E275-N277 PolarHBondContact O-N 2.94Å; E275-N277 PolarHBondContact OE2-ND2 3.47Å; N277-S279 PolarHBondContact O-N 3.01Å; N277-R280 PolarHBondContact ND2-NH2 3.29Å; N277-R280 VanDerWaalsContact O-CB 3.24Å; N277-R280 WeakPolarHBondContact O-CB 3.22Å; N277-R280 PolarHBondContact O-N 2.93Å | ||
| 278 | M | 88.5 | Confident | 89.2 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.7 | -177.3 | -64.8 | -60.3 | -60.9 | 0 | 0 | 114.8 | P236 L239 W269 L272 Q273 | P236-M278 HydrophobicContact CB-CE 3.56Å; P236-M278 HydrophobicContact CG-CE 4.16Å; L239-M278 WeakPolarHBondContact CD2-O 3.36Å; W269-M278 HydrophobicContact CD2-CE 3.61Å; W269-M278 VanDerWaalsContact CE2-CE 3.46Å; W269-M278 HydrophobicContact CE3-CE 3.93Å; W269-M278 HydrophobicContact CG-CE 4.18Å; W269-M278 HydrophobicContact CH2-CE 3.99Å; W269-M278 HydrophobicContact CZ2-CE 3.67Å; W269-M278 HydrophobicContact CZ3-CE 4.1Å; L272-M278 HydrophobicContact CB-CG 4.47Å; L272-M278 HydrophobicContact CB-SD 3.36Å; L272-M278 WeakPolarHBondContact CB-SD 3.28Å; L272-M278 HydrophobicContact CD1-SD 4.4Å; Q273-M278 HydrophobicContact CB-CG 4.24Å; Q273-M278 HydrophobicContact CB-SD 4.11Å; Q273-M278 PolarHBondContact N-SD 3.42Å |
| 279 | S | 88.4 | Confident | 88.3 | Confident | 79 Ų | 79 | 68 Ų | 68 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 16.2 | 178.4 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | N277 G281 N282 | N277-S279 PolarHBondContact O-N 3.01Å; S279-G281 PolarHBondContact O-N 3.03Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.37Å |
| 280 | R | 90.5 | Very high | 87 | Confident | 45 Ų | 45 | 67 Ų | 67 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 119.6 | -179.1 | -177 | -172.2 | -66.5 | 179 | 4 | 111 | I28 Q29 Y235 L239 E275 N277 | I28-R280 VanDerWaalsContact O-CD 3.23Å; I28-R280 WeakPolarHBondContact O-CD 3.05Å; I28-R280 WeakPolarHBondContact O-CG 3.11Å; Q29-R280 WeakPolarHBondContact O-CD 3.29Å; Y235-R280 PolarHBondContact OH-O 3.06Å; L239-R280 HydrophobicContact CD2-CB 4.15Å; E275-R280 IonicContact OE2-NH2 3.44Å; N277-R280 PolarHBondContact ND2-NH2 3.29Å; N277-R280 VanDerWaalsContact O-CB 3.24Å; N277-R280 WeakPolarHBondContact O-CB 3.22Å; N277-R280 PolarHBondContact O-N 2.93Å |
| 281 | G | 87.4 | Confident | 85.2 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K25 Y235 S279 | K25-G281 WeakPolarHBondContact CE-O 3.41Å; Y235-G281 PolarHBondContact OH-O 3.36Å; S279-G281 PolarHBondContact O-N 3.03Å |
| 282 | N | 88.4 | Confident | 83.6 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -75.1 | -31.2 | 173.9 | -163.7 | 29.4 | 0 | 0 | 0 | 111.6 | Y235 S279 | Y235-N282 HydrophobicContact CD1-CB 4.09Å; Y235-N282 HydrophobicContact CD2-CB 4.31Å; Y235-N282 WeakPolarHBondContact CD2-OD1 3.31Å; Y235-N282 HydrophobicContact CE1-CB 3.79Å; Y235-N282 HydrophobicContact CE2-CB 4Å; Y235-N282 HydrophobicContact CG-CB 4.35Å; Y235-N282 PolarHBondContact OH-N 3.44Å; Y235-N282 VanDerWaalsContact OH-N 3.13Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.37Å |
| 283 | S | 87.8 | Confident | 82.2 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -112.4 | 128.1 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | F286 R287 | S283-F286 WeakPolarHBondContact CB-O 3.4Å; S283-F286 PolarHBondContact OG-N 3.31Å; S283-F286 PolarHBondContact OG-O 3.15Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.33Å | ||
| 284 | L | 86.6 | Confident | 80.4 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -103.5 | -26.8 | 178.6 | -61.1 | 174 | 0 | 0 | 0 | 112.9 | K25 I28 G53 L54 | K25-L284 HydrophobicContact CB-CD1 4.09Å; K25-L284 HydrophobicContact CB-CD2 3.8Å; K25-L284 HydrophobicContact CG-CD2 4.06Å; I28-L284 HydrophobicContact CD1-CD2 3.79Å; G53-L284 CarbonylContact C-O 3.56Å; G53-L284 WeakPolarHBondContact CA-O 3.46Å; L54-L284 HydrophobicContact CB-CB 4.17Å; L54-L284 HydrophobicContact CD1-CB 4.48Å; L54-L284 HydrophobicContact CD1-CD1 4.36Å; L54-L284 PolarHBondContact N-O 2.96Å |
| 285 | F | 85.5 | Confident | 79.1 | Confident | 110 Ų | 110 | 74.1 Ų | 74.1 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -91.8 | -46.8 | -176.3 | -62.6 | -83.1 | 0 | 0 | 0 | 111.9 | L54 F55 | L54-F285 HydrophobicContact CB-CD1 4.32Å; L54-F285 HydrophobicContact CB-CE1 4.25Å; L54-F285 HydrophobicContact CD2-CD1 4.36Å; L54-F285 HydrophobicContact CD2-CE1 3.51Å; L54-F285 HydrophobicContact CD2-CE2 4.35Å; L54-F285 HydrophobicContact CD2-CZ 3.5Å; L54-F285 VanDerWaalsContact CD2-CZ 3.5Å; F55-F285 HydrophobicContact CD2-CE1 4.37Å; F55-F285 HydrophobicContact CE2-CD1 4.14Å; F55-F285 AromaticContact CE2-CE1 3.62Å; F55-F285 HydrophobicContact CE2-CE1 3.62Å; F55-F285 AromaticContact CZ-CE1 3.95Å; F55-F285 HydrophobicContact CZ-CE1 3.95Å |
| 286 | F | 83.2 | Confident | 77.6 | Confident | 145 Ų | 145 | 74.5 Ų | 74.5 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -113.5 | 91.6 | -177 | -59.2 | -70.6 | 0 | 0 | 0 | 109.2 | S283 | S283-F286 WeakPolarHBondContact CB-O 3.4Å; S283-F286 PolarHBondContact OG-N 3.31Å; S283-F286 PolarHBondContact OG-O 3.15Å |
| 287 | R | 87.1 | Confident | 76 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 6% | 0.064 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.3 | -173.7 | -62.7 | 178.3 | 61.8 | -140 | -9.9 | 109 | E33 Q50 L51 P52 Y57 S283 | E33-R287 IonicContact OE1-CZ 3.32Å; E33-R287 IonicContact OE1-NH1 3.04Å; E33-R287 IonicContact OE1-NH2 2.73Å; E33-R287 PolarHBondContact OE1-NH2 3.48Å; E33-R287 IonicContact OE2-CZ 3.17Å; E33-R287 VanDerWaalsContact OE2-CZ 3.31Å; E33-R287 IonicContact OE2-NH1 3.72Å; E33-R287 PolarHBondContact OE2-NH1 2.98Å; E33-R287 IonicContact OE2-NH2 3.48Å; E33-R287 PolarHBondContact OE2-NH2 3.31Å; Q50-R287 WeakPolarHBondContact CA-O 3.34Å; L51-R287 HydrophobicContact CB-CB 3.77Å; L51-R287 PolarHBondContact N-O 3.44Å; P52-R287 PolarHBondContact O-NH1 3.35Å; P52-R287 VanDerWaalsContact O-NH1 3.1Å; Y57-R287 VanDerWaalsContact CE2-NH1 3.34Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.33Å |
| 288 | K | 78.4 | Confident | 74.5 | Confident | 172 Ų | 172 | 73.4 Ų | 73.4 | 75% | 0.748 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 147.6 | 175.3 | -63.8 | -178.3 | -175.5 | 175.5 | 0 | 109.3 | ||
| 289 | V | 76.4 | Confident | 73 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 133.3 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | P37 C49 L51 Y295 | P37-V289 HydrophobicContact CB-CG2 3.97Å; C49-V289 HydrophobicContact CB-CG2 4.05Å; L51-V289 HydrophobicContact CG-CG2 4.15Å; V289-Y295 HydrophobicContact CB-CE2 4.49Å; V289-Y295 HydrophobicContact CG1-CD2 3.25Å; V289-Y295 HydrophobicContact CG1-CE2 3.15Å; V289-Y295 HydrophobicContact CG1-CG 4.31Å |
| 290 | P | 68.9 | Low | 71.5 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 24% | 0.24 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 138.5 | 176.6 | -9.7 | 18.5 | 0 | 0 | 0 | 111.1 | G292 K293 | P290-G292 PolarHBondContact O-N 3.25Å; P290-K293 HydrophobicContact CG-CD 4.42Å; P290-K293 PolarHBondContact O-N 3.5Å |
| 291 | F | 58.5 | Low | 69.8 | Low | 221 Ų | 221 | 82 Ų | 82 | 97% | 0.969 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 130.3 | 178.4 | -165 | -95.6 | 0 | 0 | 0 | 110.4 | ||
| 292 | G | 59.8 | Low | 68.3 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 76% | 0.763 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | -4.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | P290 | P290-G292 PolarHBondContact O-N 3.25Š|
| 293 | K | 63.2 | Low | 66.2 | Low | 105 Ų | 105 | 94.7 Ų | 94.7 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | trans | -92.5 | 117.9 | 164.3 | -74.5 | -166 | -179.2 | -174.1 | 0 | 108.7 | P290 Y295 | P290-K293 HydrophobicContact CG-CD 4.42Å; P290-K293 PolarHBondContact O-N 3.5Å; K293-Y295 HydrophobicContact CB-CD2 4.21Å; K293-Y295 HydrophobicContact CB-CE2 3.4Å; K293-Y295 VanDerWaalsContact CB-CE2 3.4Å; K293-Y295 HydrophobicContact CD-CE2 4.49Å; K293-Y295 WeakPolarHBondContact O-CD2 3.13Å; K293-Y295 WeakPolarHBondContact O-CE2 3.31Å; K293-Y295 PolarHBondContact O-N 3.29Å | ||
| 294 | T | 56.2 | Low | 65.1 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 72% | 0.724 | 50% | 0.498 | S | S | * | . | trans | -80.4 | 118.9 | 178.7 | -42.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 295 | Y | 62.9 | Low | 64 | Low | 50 Ų | 50 | 100.5 Ų | 100.5 | 20% | 0.196 | 52% | 0.517 | C | S | . | . | trans | -107.4 | 159.2 | 171.5 | -64.7 | -98.1 | 0 | 0 | 0 | 110.2 | P37 V289 K293 C297 D298 | P37-Y295 HydrophobicContact CG-CD1 3.78Å; P37-Y295 HydrophobicContact CG-CG 3.9Å; V289-Y295 HydrophobicContact CB-CE2 4.49Å; V289-Y295 HydrophobicContact CG1-CD2 3.25Å; V289-Y295 HydrophobicContact CG1-CE2 3.15Å; V289-Y295 HydrophobicContact CG1-CG 4.31Å; K293-Y295 HydrophobicContact CB-CD2 4.21Å; K293-Y295 HydrophobicContact CB-CE2 3.4Å; K293-Y295 VanDerWaalsContact CB-CE2 3.4Å; K293-Y295 HydrophobicContact CD-CE2 4.49Å; K293-Y295 WeakPolarHBondContact O-CD2 3.13Å; K293-Y295 WeakPolarHBondContact O-CE2 3.31Å; K293-Y295 PolarHBondContact O-N 3.29Å; Y295-C297 PolarHBondContact O-N 3.43Å; Y295-D298 PolarHBondContact N-OD2 3.33Å; Y295-D298 WeakPolarHBondContact O-CB 3.4Å; Y295-D298 PolarHBondContact O-N 2.82Å | ||
| 296 | C | 56.2 | Low | 62.8 | Low | 99 Ų | 99 | 100 Ų | 100 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54.4 | -27.1 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 297 | C | 55 | Low | 61.6 | Low | 20 Ų | 20 | 97.4 Ų | 97.4 | 14% | 0.135 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -73.6 | -27.8 | 176.1 | -66.7 | 0 | 0 | 0 | 0 | 114.5 | P37 C49 Y295 L299 K300 M301 | P37-C297 HydrophobicContact CG-CB 4.46Å; P37-C297 PolarHBondContact O-SG 2.96Å; C49-C297 WeakPolarHBondContact SG-CB 3.39Å; Y295-C297 PolarHBondContact O-N 3.43Å; C297-L299 VanDerWaalsContact C-N 3.29Å; C297-L299 PolarHBondContact O-N 3.18Å; C297-K300 PolarHBondContact O-N 2.82Å; C297-K300 VanDerWaalsContact O-N 3.14Å; C297-M301 PolarHBondContact O-N 3.38Å |
| 298 | D | 55.9 | Low | 60 | Low | 38 Ų | 38 | 102.4 Ų | 102.4 | 20% | 0.203 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 177.8 | -63.6 | -44.7 | 0 | 0 | 0 | 110.7 | Y295 K300 M301 L302 | Y295-D298 PolarHBondContact N-OD2 3.33Å; Y295-D298 WeakPolarHBondContact O-CB 3.4Å; Y295-D298 PolarHBondContact O-N 2.82Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 PolarHBondContact O-N 3.07Å; D298-M301 PolarHBondContact O-N 3.34Å; D298-L302 WeakPolarHBondContact O-CD1 3.45Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.29Å |
| 299 | L | 57.6 | Low | 58.8 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -33.1 | 171.9 | -81.8 | 126.2 | 0 | 0 | 0 | 112.9 | C297 I303 | C297-L299 VanDerWaalsContact C-N 3.29Å; C297-L299 PolarHBondContact O-N 3.18Å; L299-I303 WeakPolarHBondContact O-CG1 3.42Å |
| 300 | K | 55.4 | Low | 57.5 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -79.6 | -20.2 | 178.5 | -72.5 | -174.5 | 177.3 | -179 | 0 | 113.8 | C297 D298 | C297-K300 PolarHBondContact O-N 2.82Å; C297-K300 VanDerWaalsContact O-N 3.14Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 PolarHBondContact O-N 3.07Å |
| 301 | M | 55.9 | Low | 56.7 | Low | 84 Ų | 84 | 107.9 Ų | 107.9 | 41% | 0.414 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -86.6 | -13.5 | 174.5 | -69 | -163.1 | -61 | 0 | 0 | 112.8 | C49 C297 D298 | C49-M301 HydrophobicContact CB-CE 3.99Å; C297-M301 PolarHBondContact O-N 3.38Å; D298-M301 PolarHBondContact O-N 3.34Å |
| 302 | L | 55.8 | Low | 56.5 | Low | 150 Ų | 150 | 98.5 Ų | 98.5 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | trans | -89.2 | -5.1 | 177.3 | -75.7 | 161.6 | 0 | 0 | 0 | 113.3 | D298 | D298-L302 WeakPolarHBondContact O-CD1 3.45Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.29Å | ||
| 303 | I | 44.3 | Very low | 56.2 | Low | 196 Ų | 196 | 100.7 Ų | 100.7 | 100% | 1.005 | 52% | 0.524 | S | S | * | . | trans | -107.4 | 0 | 176.4 | -58.8 | 168.3 | 0 | 0 | 0 | 107.9 | L299 | L299-I303 WeakPolarHBondContact O-CG1 3.42Š|
Retrieved 303 of 303 residues in 219 ms
(Link to these results)