| 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 | 76.6 | Confident | 90.9 | Very high | 165 Ų | 165 | 62.5 Ų | 62.5 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | 0 | 152.2 | 0 | -71.9 | 173.3 | 69.4 | 0 | 0 | 107.5 | A5 | M1-A5 HydrophobicContact CB-CB 4.4Å; M1-A5 HydrophobicContact CE-CB 4.01Å | |||
| 2 | S | 87.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 51% | 0.51 | 37% | 0.365 | S | S | . | . | trans | -65.4 | 154.5 | 170.2 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | I4 A5 L6 | S2-I4 PolarHBondContact O-N 3.13Å; S2-A5 PolarHBondContact O-N 3.11Å; S2-A5 WeakPolarHBondContact OG-CB 3.42Å; S2-A5 PolarHBondContact OG-N 2.86Å; S2-A5 VanDerWaalsContact OG-N 3.12Å; S2-L6 PolarHBondContact O-N 3.48Å | ||
| 3 | D | 87.1 | Confident | 91.8 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 57% | 0.572 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.7 | -36.1 | 178.1 | -64.7 | -12.4 | 0 | 0 | 0 | 112 | T7 | D3-T7 VanDerWaalsContact O-CB 3.32Å; D3-T7 WeakPolarHBondContact O-CB 3.35Å; D3-T7 PolarHBondContact O-N 2.9Å; D3-T7 PolarHBondContact O-OG1 3.32Å |
| 4 | I | 88.8 | Confident | 92.2 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 54% | 0.544 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 174.1 | -63.8 | 177.7 | 0 | 0 | 0 | 110.2 | S2 L6 T7 V8 M58 | S2-I4 PolarHBondContact O-N 3.13Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 3.14Å; I4-T7 PolarHBondContact O-N 3.14Å; I4-V8 WeakPolarHBondContact O-CG2 3.18Å; I4-V8 PolarHBondContact O-N 3.1Å; I4-M58 HydrophobicContact CB-CE 4.41Å; I4-M58 HydrophobicContact CB-SD 4.27Å; I4-M58 HydrophobicContact CG1-SD 4.44Å; I4-M58 HydrophobicContact CG2-CE 3.51Å; I4-M58 HydrophobicContact CG2-SD 4Å |
| 5 | A | 91.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 S2 S9 | M1-A5 HydrophobicContact CB-CB 4.4Å; M1-A5 HydrophobicContact CE-CB 4.01Å; S2-A5 PolarHBondContact O-N 3.11Å; S2-A5 WeakPolarHBondContact OG-CB 3.42Å; S2-A5 PolarHBondContact OG-N 2.86Å; S2-A5 VanDerWaalsContact OG-N 3.12Å; A5-S9 VanDerWaalsContact O-CB 3.3Å; A5-S9 WeakPolarHBondContact O-CB 3.29Å; A5-S9 PolarHBondContact O-N 2.82Å; A5-S9 PolarHBondContact O-OG 2.87Å |
| 6 | L | 93.5 | Very high | 92.7 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 175.3 | -178.2 | 64.6 | 0 | 0 | 0 | 111 | S2 I4 V8 S9 I10 L54 | S2-L6 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.32Å; I4-L6 PolarHBondContact O-N 3.14Å; L6-V8 PolarHBondContact O-N 3.07Å; L6-S9 PolarHBondContact O-N 3.44Å; L6-I10 HydrophobicContact CD1-CG1 4.36Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.44Å; L6-L54 HydrophobicContact CD2-CD2 4.02Å; L6-L54 HydrophobicContact CG-CD2 3.9Å |
| 7 | T | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | D3 I4 I10 L11 S55 M58 L59 | D3-T7 VanDerWaalsContact O-CB 3.32Å; D3-T7 WeakPolarHBondContact O-CB 3.35Å; D3-T7 PolarHBondContact O-N 2.9Å; D3-T7 PolarHBondContact O-OG1 3.32Å; I4-T7 PolarHBondContact O-N 3.14Å; T7-I10 PolarHBondContact O-N 3.39Å; T7-L11 HydrophobicContact CG2-CD1 4.24Å; T7-L11 WeakPolarHBondContact O-CG 3.48Å; T7-L11 PolarHBondContact O-N 2.95Å; T7-S55 PolarHBondContact OG1-N 3.22Å; T7-M58 HydrophobicContact CG2-CB 4.3Å; T7-M58 HydrophobicContact CG2-CG 4.19Å; T7-M58 HydrophobicContact CG2-SD 3.9Å; T7-L59 HydrophobicContact CG2-CD2 3.81Å; T7-L59 HydrophobicContact CG2-CG 4.08Å |
| 8 | V | 93.5 | Very high | 93.1 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I4 L6 I10 L11 A12 M58 | I4-V8 WeakPolarHBondContact O-CG2 3.18Å; I4-V8 PolarHBondContact O-N 3.1Å; L6-V8 PolarHBondContact O-N 3.07Å; V8-I10 PolarHBondContact O-N 2.88Å; V8-L11 PolarHBondContact O-N 3.4Å; V8-A12 WeakPolarHBondContact O-CB 3.41Å; V8-A12 PolarHBondContact O-N 3.46Å; V8-M58 HydrophobicContact CG2-CE 3.45Å; V8-M58 VanDerWaalsContact CG2-CE 3.45Å; V8-M58 HydrophobicContact CG2-SD 4.09Å |
| 9 | S | 95.1 | Very high | 93 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.9 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | A5 L6 A12 L13 | A5-S9 VanDerWaalsContact O-CB 3.3Å; A5-S9 WeakPolarHBondContact O-CB 3.29Å; A5-S9 PolarHBondContact O-N 2.82Å; A5-S9 PolarHBondContact O-OG 2.87Å; L6-S9 PolarHBondContact O-N 3.44Å; S9-A12 PolarHBondContact O-N 2.89Å; S9-L13 WeakPolarHBondContact O-CB 3.2Å; S9-L13 PolarHBondContact O-N 2.91Å |
| 10 | I | 96.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 175.7 | -66.8 | -60.3 | 0 | 0 | 0 | 110.9 | L6 T7 V8 A12 L13 V14 V43 V47 L54 L448 | L6-I10 HydrophobicContact CD1-CG1 4.36Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.44Å; T7-I10 PolarHBondContact O-N 3.39Å; V8-I10 PolarHBondContact O-N 2.88Å; I10-A12 VanDerWaalsContact C-N 3.32Å; I10-A12 PolarHBondContact O-N 3.43Å; I10-L13 WeakPolarHBondContact O-CB 3.4Å; I10-L13 PolarHBondContact O-N 3.29Å; I10-L13 VanDerWaalsContact O-N 3.17Å; I10-V14 HydrophobicContact CG2-CG2 4.47Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.48Å; I10-V14 PolarHBondContact O-N 3.2Å; I10-V43 HydrophobicContact CG2-CG1 4.06Å; I10-V47 HydrophobicContact CD1-CG2 4.08Å; I10-V47 HydrophobicContact CG2-CG2 3.97Å; I10-L54 HydrophobicContact CB-CD1 4.4Å; I10-L54 HydrophobicContact CG1-CD2 4.15Å; I10-L54 HydrophobicContact CG2-CD1 4.02Å; I10-L448 HydrophobicContact CG2-CD1 3.71Å; I10-L448 HydrophobicContact CG2-CD2 4.19Å |
| 11 | L | 95.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -37 | 176.1 | -71.1 | 174.1 | 0 | 0 | 0 | 112.5 | T7 V8 L13 V14 A15 L59 I62 V445 L448 | T7-L11 HydrophobicContact CG2-CD1 4.24Å; T7-L11 WeakPolarHBondContact O-CG 3.48Å; T7-L11 PolarHBondContact O-N 2.95Å; V8-L11 PolarHBondContact O-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-V14 WeakPolarHBondContact O-CB 3.41Å; L11-V14 PolarHBondContact O-N 3.42Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.31Å; L11-L59 HydrophobicContact CD1-CD2 4.07Å; L11-L59 HydrophobicContact CD2-CD2 3.94Å; L11-L59 HydrophobicContact CG-CD2 4.2Å; L11-I62 HydrophobicContact CD1-CD1 3.38Å; L11-I62 HydrophobicContact CD1-CG2 4.14Å; L11-V445 HydrophobicContact CD1-CG2 4.39Å; L11-V445 HydrophobicContact CD2-CG2 3.83Å; L11-L448 HydrophobicContact CD2-CD2 4.23Å |
| 12 | A | 96.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V8 S9 I10 A15 V16 | V8-A12 WeakPolarHBondContact O-CB 3.41Å; V8-A12 PolarHBondContact O-N 3.46Å; S9-A12 PolarHBondContact O-N 2.89Å; I10-A12 VanDerWaalsContact C-N 3.32Å; I10-A12 PolarHBondContact O-N 3.43Å; A12-A15 PolarHBondContact O-N 3.21Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.47Å |
| 13 | L | 97.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 174.2 | -179.9 | 64.4 | 0 | 0 | 0 | 111.6 | S9 I10 L11 A15 V16 V17 V43 | S9-L13 WeakPolarHBondContact O-CB 3.2Å; S9-L13 PolarHBondContact O-N 2.91Å; I10-L13 WeakPolarHBondContact O-CB 3.4Å; I10-L13 PolarHBondContact O-N 3.29Å; I10-L13 VanDerWaalsContact O-N 3.17Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.43Å; L13-V16 PolarHBondContact O-N 3.12Å; L13-V17 HydrophobicContact CD1-CG2 4.06Å; L13-V17 HydrophobicContact CG-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.35Å; L13-V43 HydrophobicContact CD2-CG1 4.16Å; L13-V43 HydrophobicContact CD2-CG2 4.38Å; L13-V43 HydrophobicContact CG-CG2 4.19Å |
| 14 | V | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | I10 L11 V16 G18 V36 V43 L448 | I10-V14 HydrophobicContact CG2-CG2 4.47Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.48Å; I10-V14 PolarHBondContact O-N 3.2Å; L11-V14 WeakPolarHBondContact O-CB 3.41Å; L11-V14 PolarHBondContact O-N 3.42Å; V14-V16 PolarHBondContact O-N 2.89Å; V14-G18 WeakPolarHBondContact O-CA 3.49Å; V14-G18 PolarHBondContact O-N 3.47Å; V14-V36 HydrophobicContact CG1-CG1 4.46Å; V14-V43 HydrophobicContact CG2-CB 3.75Å; V14-V43 HydrophobicContact CG2-CG1 3.72Å; V14-V43 HydrophobicContact CG2-CG2 4.2Å; V14-L448 HydrophobicContact CG2-CD1 3.9Å |
| 15 | A | 95.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 A12 L13 G18 L19 V440 | L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.31Å; A12-A15 PolarHBondContact O-N 3.21Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.43Å; A15-G18 PolarHBondContact O-N 3.2Å; A15-L19 WeakPolarHBondContact O-CB 3.16Å; A15-L19 WeakPolarHBondContact O-CG 3.31Å; A15-L19 PolarHBondContact O-N 2.7Å; A15-V440 HydrophobicContact CB-CG1 3.71Å |
| 16 | V | 96.8 | Very high | 92.3 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 61% | 0.606 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62 | -53.5 | 178.1 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | A12 L13 V14 G18 F20 | A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.42Å; A12-V16 PolarHBondContact O-N 3.47Å; L13-V16 PolarHBondContact O-N 3.12Å; V14-V16 PolarHBondContact O-N 2.89Å; V16-G18 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 2.92Å; V16-F20 VanDerWaalsContact O-CB 3.29Å; V16-F20 WeakPolarHBondContact O-CB 3.27Å; V16-F20 PolarHBondContact O-N 3.21Å |
| 17 | V | 97.1 | Very high | 91.4 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 26% | 0.255 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L13 F20 I21 V43 | L13-V17 HydrophobicContact CD1-CG2 4.06Å; L13-V17 HydrophobicContact CG-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.35Å; V17-F20 WeakPolarHBondContact O-CB 3.41Å; V17-F20 PolarHBondContact O-N 2.97Å; V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 VanDerWaalsContact O-CG1 3.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.43Å; V17-I21 PolarHBondContact O-N 3.16Å; V17-V43 HydrophobicContact CB-CG2 4.42Å; V17-V43 HydrophobicContact CG2-CG2 4.23Å |
| 18 | G | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.3 | -46.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V14 A15 V16 F20 I21 G22 G35 | V14-G18 WeakPolarHBondContact O-CA 3.49Å; V14-G18 PolarHBondContact O-N 3.47Å; A15-G18 PolarHBondContact O-N 3.2Å; V16-G18 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 2.92Å; G18-F20 VanDerWaalsContact C-N 3.3Å; G18-I21 PolarHBondContact O-N 3.39Å; G18-G22 PolarHBondContact O-N 3.49Å; G18-G35 VanDerWaalsContact CA-O 3.26Å; G18-G35 WeakPolarHBondContact CA-O 3.39Å; G18-G35 CarbonylContact O-C 3.57Å; G18-G35 WeakPolarHBondContact O-CA 3.33Å |
| 19 | L | 92.8 | Very high | 89 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 174.8 | -69.8 | 172 | 0 | 0 | 0 | 111.5 | A15 G22 N23 V36 V440 | A15-L19 WeakPolarHBondContact O-CB 3.16Å; A15-L19 WeakPolarHBondContact O-CG 3.31Å; A15-L19 PolarHBondContact O-N 2.7Å; L19-G22 PolarHBondContact O-N 3.06Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 3.23Å; L19-N23 PolarHBondContact O-ND2 3.48Å; L19-V36 HydrophobicContact CD2-CG2 3.85Å; L19-V36 HydrophobicContact CG-CG2 4.01Å; L19-V440 HydrophobicContact CD2-CG2 4.09Å |
| 20 | F | 94.6 | Very high | 87.9 | Confident | 150 Ų | 150 | 70.6 Ų | 70.6 | 66% | 0.658 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.4 | -52.9 | 172.4 | -179.1 | -96.5 | 0 | 0 | 0 | 111 | V16 V17 G18 G22 N23 V24 | V16-F20 VanDerWaalsContact O-CB 3.29Å; V16-F20 WeakPolarHBondContact O-CB 3.27Å; V16-F20 PolarHBondContact O-N 3.21Å; V17-F20 WeakPolarHBondContact O-CB 3.41Å; V17-F20 PolarHBondContact O-N 2.97Å; G18-F20 VanDerWaalsContact C-N 3.3Å; F20-G22 VanDerWaalsContact C-N 3.27Å; F20-G22 PolarHBondContact O-N 3.49Å; F20-N23 PolarHBondContact O-N 2.97Å; F20-V24 PolarHBondContact O-N 3Å |
| 21 | I | 92 | Very high | 86.9 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 175.5 | -68.5 | 165.6 | 0 | 0 | 0 | 110.8 | V17 G18 N23 V24 L31 I42 | V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 VanDerWaalsContact O-CG1 3.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.43Å; V17-I21 PolarHBondContact O-N 3.16Å; G18-I21 PolarHBondContact O-N 3.39Å; I21-N23 VanDerWaalsContact C-N 3.29Å; I21-N23 PolarHBondContact O-N 3.33Å; I21-V24 WeakPolarHBondContact O-CB 3.12Å; I21-V24 PolarHBondContact O-N 2.94Å; I21-L31 HydrophobicContact CG2-CD1 3.99Å; I21-I42 HydrophobicContact CD1-CD1 3.63Å |
| 22 | G | 86.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.7 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G18 L19 F20 G32 | G18-G22 PolarHBondContact O-N 3.49Å; L19-G22 PolarHBondContact O-N 3.06Å; F20-G22 VanDerWaalsContact C-N 3.27Å; F20-G22 PolarHBondContact O-N 3.49Å; G22-G32 WeakPolarHBondContact CA-O 3.48Å; G22-G32 WeakPolarHBondContact O-CA 3.48Å; G22-G32 PolarHBondContact O-N 2.92Å |
| 23 | N | 87.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -79.9 | -16.1 | 179.3 | -82.2 | -30.3 | 0 | 0 | 0 | 113.7 | L19 F20 I21 K25 | L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 3.23Å; L19-N23 PolarHBondContact O-ND2 3.48Å; F20-N23 PolarHBondContact O-N 2.97Å; I21-N23 VanDerWaalsContact C-N 3.29Å; I21-N23 PolarHBondContact O-N 3.33Å; N23-K25 PolarHBondContact O-N 3.37Å |
| 24 | V | 87.1 | Confident | 84.5 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | trans | -68 | 118.3 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | F20 I21 | F20-V24 PolarHBondContact O-N 3Å; I21-V24 WeakPolarHBondContact O-CB 3.12Å; I21-V24 PolarHBondContact O-N 2.94Å | ||
| 25 | K | 79.7 | Confident | 84.1 | Confident | 154 Ų | 154 | 69.5 Ų | 69.5 | 67% | 0.67 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.8 | 178.1 | -62.9 | -179.5 | -175.4 | 179 | 0 | 109.8 | N23 I29 | N23-K25 PolarHBondContact O-N 3.37Å; K25-I29 WeakPolarHBondContact CA-O 3.15Å |
| 26 | F | 76 | Confident | 83.9 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 66% | 0.658 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.4 | 167.6 | -172.9 | -102.8 | 0 | 0 | 0 | 109.2 | G28 I29 | F26-G28 PolarHBondContact O-N 3.46Å; F26-I29 PolarHBondContact N-O 3.44Å; F26-I29 PolarHBondContact O-N 2.66Å |
| 27 | R | 73.3 | Confident | 83.7 | Confident | 217 Ų | 217 | 64 Ų | 64 | 82% | 0.819 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.8 | -176.2 | -68 | -173.4 | 149.8 | 99.9 | -2.3 | 114.1 | I29 | R27-I29 VanDerWaalsContact C-N 3.25Å; R27-I29 PolarHBondContact O-N 3.09Å |
| 28 | G | 69.5 | Low | 83.5 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F26 | F26-G28 PolarHBondContact O-N 3.46Š|
| 29 | I | 68.4 | Low | 83.5 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.3 | 174.5 | -58.3 | 158.1 | 0 | 0 | 0 | 107.8 | K25 F26 R27 L172 | K25-I29 WeakPolarHBondContact CA-O 3.15Å; F26-I29 PolarHBondContact N-O 3.44Å; F26-I29 PolarHBondContact O-N 2.66Å; R27-I29 VanDerWaalsContact C-N 3.25Å; R27-I29 PolarHBondContact O-N 3.09Å; I29-L172 HydrophobicContact CD1-CD1 3.63Å; I29-L172 HydrophobicContact CG1-CD1 4.28Å; I29-L172 HydrophobicContact CG2-CD1 4.3Å |
| 30 | G | 70.8 | Confident | 83.6 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 157.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G32 | G30-G32 PolarHBondContact O-N 3Å |
| 31 | L | 75.2 | Confident | 83.6 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | trans | -68.8 | -20.7 | 174.2 | -68 | 170.7 | 0 | 0 | 0 | 111.9 | I21 G34 F38 I168 | I21-L31 HydrophobicContact CG2-CD1 3.99Å; L31-G34 PolarHBondContact O-N 3.12Å; L31-G34 VanDerWaalsContact O-N 3.17Å; L31-F38 HydrophobicContact CD1-CD2 4.01Å; L31-F38 HydrophobicContact CD1-CE2 4.29Å; L31-F38 HydrophobicContact CD2-CE2 4.34Å; L31-I168 HydrophobicContact CD2-CD1 4.28Å | ||
| 32 | G | 78.9 | Confident | 83.7 | Confident | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | 57.8 | -141.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G22 G30 G34 G35 | G22-G32 WeakPolarHBondContact CA-O 3.48Å; G22-G32 WeakPolarHBondContact O-CA 3.48Å; G22-G32 PolarHBondContact O-N 2.92Å; G30-G32 PolarHBondContact O-N 3Å; G32-G34 PolarHBondContact O-N 2.9Å; G32-G34 VanDerWaalsContact O-N 3.11Å; G32-G35 PolarHBondContact O-N 2.99Å |
| 33 | I | 79.6 | Confident | 84.2 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -59.9 | -23.9 | 178.4 | -71.6 | 144.8 | 0 | 0 | 0 | 112.9 | G35 V36 E436 I439 L443 | I33-G35 PolarHBondContact O-N 3.41Å; I33-G35 VanDerWaalsContact O-N 3.1Å; I33-V36 WeakPolarHBondContact O-CB 3.23Å; I33-V36 WeakPolarHBondContact O-CG2 3.18Å; I33-V36 PolarHBondContact O-N 3.21Å; I33-E436 HydrophobicContact CD1-CG 3.68Å; I33-I439 HydrophobicContact CG2-CB 4.32Å; I33-I439 HydrophobicContact CG2-CD1 3.99Å; I33-I439 HydrophobicContact CG2-CG1 3.94Å; I33-I439 HydrophobicContact CG2-CG2 3.44Å; I33-I439 VanDerWaalsContact CG2-CG2 3.44Å; I33-L443 HydrophobicContact CG2-CD1 4.37Å |
| 34 | G | 79.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -57.8 | -21.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L31 G32 V36 L37 F38 | L31-G34 PolarHBondContact O-N 3.12Å; L31-G34 VanDerWaalsContact O-N 3.17Å; G32-G34 PolarHBondContact O-N 2.9Å; G32-G34 VanDerWaalsContact O-N 3.11Å; G34-V36 PolarHBondContact O-N 2.95Å; G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 3.35Å; G34-L37 VanDerWaalsContact O-N 3.15Å; G34-F38 WeakPolarHBondContact O-CD2 3.16Å |
| 35 | G | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57 | -27 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G18 G32 I33 L37 F38 G39 | G18-G35 VanDerWaalsContact CA-O 3.26Å; G18-G35 WeakPolarHBondContact CA-O 3.39Å; G18-G35 CarbonylContact O-C 3.57Å; G18-G35 WeakPolarHBondContact O-CA 3.33Å; G32-G35 PolarHBondContact O-N 2.99Å; I33-G35 PolarHBondContact O-N 3.41Å; I33-G35 VanDerWaalsContact O-N 3.1Å; G35-L37 VanDerWaalsContact C-N 3.29Å; G35-L37 PolarHBondContact O-N 2.83Å; G35-F38 PolarHBondContact O-N 3.34Å; G35-G39 PolarHBondContact O-N 3.45Å |
| 36 | V | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 177 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | V14 L19 I33 G34 G39 G40 V440 L443 S444 | V14-V36 HydrophobicContact CG1-CG1 4.46Å; L19-V36 HydrophobicContact CD2-CG2 3.85Å; L19-V36 HydrophobicContact CG-CG2 4.01Å; I33-V36 WeakPolarHBondContact O-CB 3.23Å; I33-V36 WeakPolarHBondContact O-CG2 3.18Å; I33-V36 PolarHBondContact O-N 3.21Å; G34-V36 PolarHBondContact O-N 2.95Å; V36-G39 PolarHBondContact O-N 3.34Å; V36-G40 PolarHBondContact O-N 3.2Å; V36-V440 HydrophobicContact CG1-CG1 4.4Å; V36-V440 HydrophobicContact CG2-CG2 4.13Å; V36-L443 HydrophobicContact CB-CB 4.12Å; V36-L443 HydrophobicContact CG1-CB 3.92Å; V36-S444 VanDerWaalsContact CG1-OG 3.29Å; V36-S444 WeakPolarHBondContact CG1-OG 3.4Å |
| 37 | L | 92.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 174.4 | -179.3 | 72.7 | 0 | 0 | 0 | 111.3 | G34 G35 G40 I41 Y160 A161 L443 V446 G447 | G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 3.35Å; G34-L37 VanDerWaalsContact O-N 3.15Å; G35-L37 VanDerWaalsContact C-N 3.29Å; G35-L37 PolarHBondContact O-N 2.83Å; L37-G40 WeakPolarHBondContact O-CA 3.48Å; L37-G40 PolarHBondContact O-N 3.06Å; L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 3.26Å; L37-Y160 HydrophobicContact CD1-CD1 4.2Å; L37-Y160 HydrophobicContact CD1-CE1 4.26Å; L37-Y160 HydrophobicContact CD2-CD1 3.65Å; L37-Y160 HydrophobicContact CD2-CE1 3.46Å; L37-Y160 VanDerWaalsContact CD2-CE1 3.46Å; L37-Y160 HydrophobicContact CG-CE1 4.43Å; L37-A161 HydrophobicContact CD1-CB 4.28Å; L37-A161 HydrophobicContact CD2-CB 3.47Å; L37-A161 VanDerWaalsContact CD2-CB 3.47Å; L37-A161 HydrophobicContact CG-CB 3.94Å; L37-L443 HydrophobicContact CB-CD2 4.38Å; L37-L443 HydrophobicContact CD1-CD2 4.24Å; L37-V446 HydrophobicContact CD1-CB 4.46Å; L37-V446 HydrophobicContact CD1-CG1 3.8Å; L37-G447 WeakPolarHBondContact O-CA 3.32Å |
| 38 | F | 92.3 | Very high | 87.3 | Confident | 36 Ų | 36 | 32.8 Ų | 32.8 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.6 | -37.5 | -179.5 | -64.3 | -76.2 | 0 | 0 | 0 | 112.3 | L31 G34 G35 G40 I41 I42 Y164 P165 | L31-F38 HydrophobicContact CD1-CD2 4.01Å; L31-F38 HydrophobicContact CD1-CE2 4.29Å; L31-F38 HydrophobicContact CD2-CE2 4.34Å; G34-F38 WeakPolarHBondContact O-CD2 3.16Å; G35-F38 PolarHBondContact O-N 3.34Å; F38-G40 VanDerWaalsContact C-N 3.25Å; F38-G40 PolarHBondContact O-N 3.47Å; F38-I41 HydrophobicContact CD1-CD1 4.36Å; F38-I41 PolarHBondContact O-N 3.05Å; F38-I42 VanDerWaalsContact O-CG1 3.29Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 3.49Å; F38-Y164 HydrophobicContact CE2-CD1 4.06Å; F38-Y164 HydrophobicContact CZ-CD1 4.39Å; F38-P165 HydrophobicContact CE1-CG 4.21Å; F38-P165 HydrophobicContact CZ-CG 3.62Å |
| 39 | G | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G35 V36 I42 V43 | G35-G39 PolarHBondContact O-N 3.45Å; V36-G39 PolarHBondContact O-N 3.34Å; G39-I42 PolarHBondContact O-N 2.89Å; G39-V43 WeakPolarHBondContact O-CB 3.26Å; G39-V43 WeakPolarHBondContact O-CG2 3.35Å; G39-V43 PolarHBondContact O-N 3.11Å |
| 40 | G | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V36 L37 F38 G44 G447 L448 | V36-G40 PolarHBondContact O-N 3.2Å; L37-G40 WeakPolarHBondContact O-CA 3.48Å; L37-G40 PolarHBondContact O-N 3.06Å; F38-G40 VanDerWaalsContact C-N 3.25Å; F38-G40 PolarHBondContact O-N 3.47Å; G40-G44 WeakPolarHBondContact O-CA 3.38Å; G40-G44 PolarHBondContact O-N 2.85Å; G40-G447 CarbonylContact C-O 3.53Å; G40-G447 VanDerWaalsContact C-O 3.23Å; G40-G447 CarbonylContact O-C 3.57Å; G40-L448 WeakPolarHBondContact O-CA 3.45Å; G40-L448 PolarHBondContact O-N 2.93Å |
| 41 | I | 94.1 | Very high | 90.2 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 177.4 | -72.8 | 163 | 0 | 0 | 0 | 111.2 | L37 F38 G44 H45 A161 G447 G451 F454 | L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.39Å; L37-I41 PolarHBondContact O-N 3.26Å; F38-I41 HydrophobicContact CD1-CD1 4.36Å; F38-I41 PolarHBondContact O-N 3.05Å; I41-G44 PolarHBondContact O-N 3.13Å; I41-H45 WeakPolarHBondContact O-CB 3.37Å; I41-H45 PolarHBondContact O-N 3.07Å; I41-A161 HydrophobicContact CD1-CB 3.44Å; I41-A161 VanDerWaalsContact CD1-CB 3.44Å; I41-G447 WeakPolarHBondContact CA-O 3.36Å; I41-G447 PolarHBondContact N-O 2.96Å; I41-G451 VanDerWaalsContact O-CA 3.25Å; I41-G451 WeakPolarHBondContact O-CA 3.3Å; I41-F454 HydrophobicContact CD1-CD2 3.78Å; I41-F454 HydrophobicContact CD1-CE2 3.83Å; I41-F454 HydrophobicContact CD1-CG 4.26Å; I41-F454 HydrophobicContact CD1-CZ 4.36Å; I41-F454 HydrophobicContact CG1-CD2 4.34Å; I41-F454 HydrophobicContact CG1-CG 4.49Å; I41-F454 HydrophobicContact CG2-CB 3.76Å; I41-F454 HydrophobicContact CG2-CD1 3.68Å; I41-F454 HydrophobicContact CG2-CD2 4.25Å; I41-F454 HydrophobicContact CG2-CE1 4.35Å; I41-F454 HydrophobicContact CG2-CG 3.62Å |
| 42 | I | 95.7 | Very high | 90.8 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -52.1 | -179.8 | -68.1 | 164.9 | 0 | 0 | 0 | 110.4 | I21 F38 G39 G44 H45 F46 | I21-I42 HydrophobicContact CD1-CD1 3.63Å; F38-I42 VanDerWaalsContact O-CG1 3.29Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 3.49Å; G39-I42 PolarHBondContact O-N 2.89Å; I42-G44 VanDerWaalsContact C-N 3.33Å; I42-G44 PolarHBondContact O-N 2.86Å; I42-H45 WeakPolarHBondContact O-CB 3.38Å; I42-H45 PolarHBondContact O-N 3.31Å; I42-F46 HydrophobicContact CG2-CD2 4.2Å; I42-F46 HydrophobicContact CG2-CE2 3.96Å; I42-F46 WeakPolarHBondContact O-CD2 3.37Å; I42-F46 PolarHBondContact O-N 3.32Å |
| 43 | V | 96.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | -179.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | I10 L13 V14 V17 G39 H45 F46 V47 L448 | I10-V43 HydrophobicContact CG2-CG1 4.06Å; L13-V43 HydrophobicContact CD2-CG1 4.16Å; L13-V43 HydrophobicContact CD2-CG2 4.38Å; L13-V43 HydrophobicContact CG-CG2 4.19Å; V14-V43 HydrophobicContact CG2-CB 3.75Å; V14-V43 HydrophobicContact CG2-CG1 3.72Å; V14-V43 HydrophobicContact CG2-CG2 4.2Å; V17-V43 HydrophobicContact CB-CG2 4.42Å; V17-V43 HydrophobicContact CG2-CG2 4.23Å; G39-V43 WeakPolarHBondContact O-CB 3.26Å; G39-V43 WeakPolarHBondContact O-CG2 3.35Å; G39-V43 PolarHBondContact O-N 3.11Å; V43-H45 VanDerWaalsContact C-N 3.32Å; V43-H45 PolarHBondContact O-N 3.23Å; V43-F46 PolarHBondContact O-N 2.83Å; V43-V47 HydrophobicContact CG1-CG2 3.96Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 VanDerWaalsContact O-CG2 3.23Å; V43-V47 WeakPolarHBondContact O-CG2 3.21Å; V43-V47 PolarHBondContact O-N 3.25Å; V43-L448 HydrophobicContact CG1-CD1 4.17Å |
| 44 | G | 94.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G40 I41 I42 V47 S48 | G40-G44 WeakPolarHBondContact O-CA 3.38Å; G40-G44 PolarHBondContact O-N 2.85Å; I41-G44 PolarHBondContact O-N 3.13Å; I42-G44 VanDerWaalsContact C-N 3.33Å; I42-G44 PolarHBondContact O-N 2.86Å; G44-V47 PolarHBondContact O-N 2.9Å; G44-S48 VanDerWaalsContact O-CB 3.26Å; G44-S48 WeakPolarHBondContact O-CB 3.49Å; G44-S48 PolarHBondContact O-N 3.39Å |
| 45 | H | 94 | Very high | 92.1 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 173.5 | -176.4 | 70.6 | 0 | 0 | 0 | 111.7 | I41 I42 V43 S48 Q49 G451 | I41-H45 WeakPolarHBondContact O-CB 3.37Å; I41-H45 PolarHBondContact O-N 3.07Å; I42-H45 WeakPolarHBondContact O-CB 3.38Å; I42-H45 PolarHBondContact O-N 3.31Å; V43-H45 VanDerWaalsContact C-N 3.32Å; V43-H45 PolarHBondContact O-N 3.23Å; H45-S48 PolarHBondContact O-N 3.4Å; H45-Q49 PolarHBondContact CE1-NE2 3.18Å; H45-Q49 PolarHBondContact NE2-NE2 3.43Å; H45-Q49 WeakPolarHBondContact O-CG 3.06Å; H45-Q49 PolarHBondContact O-N 2.89Å; H45-G451 WeakPolarHBondContact CA-O 3.3Å; H45-G451 WeakPolarHBondContact CB-O 3.22Å |
| 46 | F | 95.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.5 | -36 | 178.3 | -71 | -66.3 | 0 | 0 | 0 | 113.1 | I42 V43 Q49 A50 | I42-F46 HydrophobicContact CG2-CD2 4.2Å; I42-F46 HydrophobicContact CG2-CE2 3.96Å; I42-F46 WeakPolarHBondContact O-CD2 3.37Å; I42-F46 PolarHBondContact O-N 3.32Å; V43-F46 PolarHBondContact O-N 2.83Å; F46-Q49 PolarHBondContact O-N 3.05Å; F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.26Å; F46-A50 PolarHBondContact O-N 2.93Å |
| 47 | V | 93.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | I10 V43 G44 A50 G51 M52 L54 L448 | I10-V47 HydrophobicContact CD1-CG2 4.08Å; I10-V47 HydrophobicContact CG2-CG2 3.97Å; V43-V47 HydrophobicContact CG1-CG2 3.96Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 VanDerWaalsContact O-CG2 3.23Å; V43-V47 WeakPolarHBondContact O-CG2 3.21Å; V43-V47 PolarHBondContact O-N 3.25Å; G44-V47 PolarHBondContact O-N 2.9Å; V47-A50 PolarHBondContact O-N 3.35Å; V47-G51 PolarHBondContact O-N 2.95Å; V47-M52 HydrophobicContact CG1-CB 3.95Å; V47-M52 HydrophobicContact CG2-CE 4.18Å; V47-M52 PolarHBondContact O-N 3.34Å; V47-M52 VanDerWaalsContact O-N 3.13Å; V47-L54 HydrophobicContact CG1-CD1 4.06Å; V47-L54 HydrophobicContact CG1-CG 4.45Å; V47-L448 HydrophobicContact CG2-CD1 4.37Å |
| 48 | S | 90.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.6 | G44 H45 A50 G51 | G44-S48 VanDerWaalsContact O-CB 3.26Å; G44-S48 WeakPolarHBondContact O-CB 3.49Å; G44-S48 PolarHBondContact O-N 3.39Å; H45-S48 PolarHBondContact O-N 3.4Å; S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 3.05Å; S48-G51 PolarHBondContact O-N 2.7Å |
| 49 | Q | 89.9 | Confident | 92 | Very high | 131 Ų | 131 | 54.2 Ų | 54.2 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.5 | -35.3 | 176.4 | -77.9 | -174.3 | -13.6 | 0 | 0 | 113.4 | H45 F46 G51 | H45-Q49 PolarHBondContact CE1-NE2 3.18Å; H45-Q49 PolarHBondContact NE2-NE2 3.43Å; H45-Q49 WeakPolarHBondContact O-CG 3.06Å; H45-Q49 PolarHBondContact O-N 2.89Å; F46-Q49 PolarHBondContact O-N 3.05Å; Q49-G51 PolarHBondContact O-N 3.47Å |
| 50 | A | 92 | Very high | 91.7 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F46 V47 S48 M52 | F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.26Å; F46-A50 PolarHBondContact O-N 2.93Å; V47-A50 PolarHBondContact O-N 3.35Å; S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 3.05Å; A50-M52 HydrophobicContact CB-CE 3.64Å; A50-M52 HydrophobicContact CB-CG 4.19Å; A50-M52 PolarHBondContact O-N 3.44Å |
| 51 | G | 87.7 | Confident | 91.6 | Very high | 59 Ų | 59 | 62 Ų | 62 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 25.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V47 S48 Q49 T53 | V47-G51 PolarHBondContact O-N 2.95Å; S48-G51 PolarHBondContact O-N 2.7Å; Q49-G51 PolarHBondContact O-N 3.47Å; G51-T53 PolarHBondContact O-N 3.41Å |
| 52 | M | 88.6 | Confident | 91.7 | Very high | 78 Ų | 78 | 63 Ų | 63 | 38% | 0.384 | 37% | 0.365 | S | S | . | . | trans | -76.3 | 119.4 | -179 | -80.9 | -170.5 | -90.7 | 0 | 0 | 110.9 | V47 A50 | V47-M52 HydrophobicContact CG1-CB 3.95Å; V47-M52 HydrophobicContact CG2-CE 4.18Å; V47-M52 PolarHBondContact O-N 3.34Å; V47-M52 VanDerWaalsContact O-N 3.13Å; A50-M52 HydrophobicContact CB-CE 3.64Å; A50-M52 HydrophobicContact CB-CG 4.19Å; A50-M52 PolarHBondContact O-N 3.44Å | ||
| 53 | T | 84.7 | Confident | 91.5 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 72% | 0.718 | 35% | 0.348 | S | S | * | . | trans | -87.7 | 123.1 | 174.2 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | G51 | G51-T53 PolarHBondContact O-N 3.41Š| ||
| 54 | L | 90.3 | Very high | 91.2 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | trans | -107 | 158.6 | 177.4 | -58.8 | 177.3 | 0 | 0 | 0 | 110.8 | L6 I10 V47 S56 L59 L448 | L6-L54 HydrophobicContact CD2-CD2 4.02Å; L6-L54 HydrophobicContact CG-CD2 3.9Å; I10-L54 HydrophobicContact CB-CD1 4.4Å; I10-L54 HydrophobicContact CG1-CD2 4.15Å; I10-L54 HydrophobicContact CG2-CD1 4.02Å; V47-L54 HydrophobicContact CG1-CD1 4.06Å; V47-L54 HydrophobicContact CG1-CG 4.45Å; L54-S56 PolarHBondContact O-N 2.9Å; L54-S56 VanDerWaalsContact O-N 3.13Å; L54-L59 HydrophobicContact CB-CD1 4.16Å; L54-L448 HydrophobicContact CD1-CD2 3.56Å; L54-L448 HydrophobicContact CD1-CG 4.46Å | ||
| 55 | S | 91.1 | Very high | 91.2 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | trans | -70.6 | 109.5 | 179 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | T7 D57 M58 L59 | T7-S55 PolarHBondContact OG1-N 3.22Å; S55-D57 PolarHBondContact O-N 3.18Å; S55-M58 PolarHBondContact O-N 2.84Å; S55-M58 WeakPolarHBondContact OG-CB 3.33Å; S55-M58 PolarHBondContact OG-N 3.2Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 3.48Å | ||
| 56 | S | 87.1 | Confident | 91.1 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 179.3 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | L54 M58 L59 H60 | L54-S56 PolarHBondContact O-N 2.9Å; L54-S56 VanDerWaalsContact O-N 3.13Å; S56-M58 VanDerWaalsContact C-N 3.33Å; S56-M58 PolarHBondContact O-N 3.26Å; S56-L59 PolarHBondContact O-N 3.42Å; S56-H60 WeakPolarHBondContact O-CB 3.48Å; S56-H60 PolarHBondContact O-N 3.39Å |
| 57 | D | 89.8 | Confident | 90.9 | Very high | 129 Ų | 129 | 55.7 Ų | 55.7 | 69% | 0.69 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 178.1 | -65.3 | -28.2 | 0 | 0 | 0 | 111.6 | S55 H60 V61 | S55-D57 PolarHBondContact O-N 3.18Å; D57-H60 PolarHBondContact O-N 3.22Å; D57-V61 WeakPolarHBondContact O-CG2 3.34Å; D57-V61 PolarHBondContact O-N 3.06Å |
| 58 | M | 92.2 | Very high | 90.9 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 22% | 0.222 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 177.9 | -170.3 | 175.3 | -148.2 | 0 | 0 | 111.5 | I4 T7 V8 S55 S56 H60 V61 I62 | I4-M58 HydrophobicContact CB-CE 4.41Å; I4-M58 HydrophobicContact CB-SD 4.27Å; I4-M58 HydrophobicContact CG1-SD 4.44Å; I4-M58 HydrophobicContact CG2-CE 3.51Å; I4-M58 HydrophobicContact CG2-SD 4Å; T7-M58 HydrophobicContact CG2-CB 4.3Å; T7-M58 HydrophobicContact CG2-CG 4.19Å; T7-M58 HydrophobicContact CG2-SD 3.9Å; V8-M58 HydrophobicContact CG2-CE 3.45Å; V8-M58 VanDerWaalsContact CG2-CE 3.45Å; V8-M58 HydrophobicContact CG2-SD 4.09Å; S55-M58 PolarHBondContact O-N 2.84Å; S55-M58 WeakPolarHBondContact OG-CB 3.33Å; S55-M58 PolarHBondContact OG-N 3.2Å; S56-M58 VanDerWaalsContact C-N 3.33Å; S56-M58 PolarHBondContact O-N 3.26Å; M58-H60 VanDerWaalsContact C-N 3.29Å; M58-H60 PolarHBondContact O-N 3.1Å; M58-V61 PolarHBondContact O-N 3.13Å; M58-I62 HydrophobicContact CE-CD1 4.38Å; M58-I62 HydrophobicContact CG-CD1 3.8Å; M58-I62 HydrophobicContact CG-CG1 4.46Å; M58-I62 WeakPolarHBondContact O-CB 3.36Å; M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 3.28Å; M58-I62 PolarHBondContact O-N 2.94Å |
| 59 | L | 93.4 | Very high | 91 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 174.9 | -70.7 | 175.5 | 0 | 0 | 0 | 110.8 | T7 L11 L54 S55 S56 I62 Q63 V445 L448 | T7-L59 HydrophobicContact CG2-CD2 3.81Å; T7-L59 HydrophobicContact CG2-CG 4.08Å; L11-L59 HydrophobicContact CD1-CD2 4.07Å; L11-L59 HydrophobicContact CD2-CD2 3.94Å; L11-L59 HydrophobicContact CG-CD2 4.2Å; L54-L59 HydrophobicContact CB-CD1 4.16Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 3.48Å; S56-L59 PolarHBondContact O-N 3.42Å; L59-I62 PolarHBondContact O-N 3.45Å; L59-Q63 VanDerWaalsContact O-CB 3.25Å; L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 PolarHBondContact O-N 3.1Å; L59-V445 HydrophobicContact CB-CG1 3.89Å; L59-V445 HydrophobicContact CD2-CG1 4.23Å; L59-V445 HydrophobicContact CD2-CG2 4.04Å; L59-L448 HydrophobicContact CD1-CD2 4.42Å; L59-L448 HydrophobicContact CD2-CD2 3.88Å |
| 60 | H | 89.6 | Confident | 91.1 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 179 | -172.7 | -85.9 | 0 | 0 | 0 | 112.1 | S56 D57 M58 I62 Q63 E64 | S56-H60 WeakPolarHBondContact O-CB 3.48Å; S56-H60 PolarHBondContact O-N 3.39Å; D57-H60 PolarHBondContact O-N 3.22Å; M58-H60 VanDerWaalsContact C-N 3.29Å; M58-H60 PolarHBondContact O-N 3.1Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.15Å; H60-Q63 PolarHBondContact O-N 3.37Å; H60-E64 WeakPolarHBondContact O-CG 3.43Å; H60-E64 PolarHBondContact O-N 3.18Å |
| 61 | V | 93.5 | Very high | 90.9 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 58% | 0.582 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | D57 M58 F65 | D57-V61 WeakPolarHBondContact O-CG2 3.34Å; D57-V61 PolarHBondContact O-N 3.06Å; M58-V61 PolarHBondContact O-N 3.13Å; V61-F65 WeakPolarHBondContact O-CB 3.4Å; V61-F65 PolarHBondContact O-N 2.87Å |
| 62 | I | 95 | Very high | 91.1 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 179.3 | -69.5 | 171.4 | 0 | 0 | 0 | 111.1 | L11 M58 L59 H60 G66 L441 V445 | L11-I62 HydrophobicContact CD1-CD1 3.38Å; L11-I62 HydrophobicContact CD1-CG2 4.14Å; M58-I62 HydrophobicContact CE-CD1 4.38Å; M58-I62 HydrophobicContact CG-CD1 3.8Å; M58-I62 HydrophobicContact CG-CG1 4.46Å; M58-I62 WeakPolarHBondContact O-CB 3.36Å; M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 3.28Å; M58-I62 PolarHBondContact O-N 2.94Å; L59-I62 PolarHBondContact O-N 3.45Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.15Å; I62-G66 PolarHBondContact O-N 3.09Å; I62-L441 HydrophobicContact CG2-CB 3.88Å; I62-L441 HydrophobicContact CG2-CD2 3.9Å; I62-L441 HydrophobicContact CG2-CG 4.36Å; I62-V445 HydrophobicContact CB-CG2 4.28Å; I62-V445 HydrophobicContact CG2-CG2 3.97Å |
| 63 | Q | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -54.3 | 177.3 | -175.9 | 177.9 | -10.3 | 0 | 0 | 110.8 | L59 H60 G66 L67 F442 V445 K449 | L59-Q63 VanDerWaalsContact O-CB 3.25Å; L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 PolarHBondContact O-N 3.1Å; H60-Q63 PolarHBondContact O-N 3.37Å; Q63-G66 PolarHBondContact O-N 3.47Å; Q63-L67 WeakPolarHBondContact O-CB 3.41Å; Q63-L67 PolarHBondContact O-N 2.79Å; Q63-F442 HydrophobicContact CG-CD2 3.64Å; Q63-F442 HydrophobicContact CG-CE2 3.81Å; Q63-F442 WeakPolarHBondContact O-CD2 3.48Å; Q63-V445 HydrophobicContact CB-CB 3.99Å; Q63-V445 HydrophobicContact CB-CG1 3.91Å; Q63-V445 HydrophobicContact CB-CG2 4.21Å; Q63-V445 HydrophobicContact CG-CB 4.39Å; Q63-V445 HydrophobicContact CG-CG1 4.32Å; Q63-K449 VanDerWaalsContact OE1-NZ 3.1Å |
| 64 | E | 90.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | -177.2 | -63.9 | -54.6 | 130.8 | 0 | 0 | 112.2 | H60 L67 I68 R144 L402 | H60-E64 WeakPolarHBondContact O-CG 3.43Å; H60-E64 PolarHBondContact O-N 3.18Å; E64-L67 WeakPolarHBondContact O-CB 3.22Å; E64-L67 PolarHBondContact O-N 3.3Å; E64-I68 VanDerWaalsContact O-CG1 3.27Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 3.49Å; E64-R144 IonicContact OE1-CZ 2.81Å; E64-R144 VanDerWaalsContact OE1-CZ 3.26Å; E64-R144 IonicContact OE1-NH1 3.24Å; E64-R144 PolarHBondContact OE1-NH1 3.45Å; E64-R144 VanDerWaalsContact OE1-NH1 3.17Å; E64-R144 IonicContact OE1-NH2 3.26Å; E64-R144 PolarHBondContact OE1-NH2 3.2Å; E64-R144 IonicContact OE2-NH2 3.83Å; E64-R144 PolarHBondContact OE2-NH2 2.7Å; E64-L402 HydrophobicContact CB-CD1 3.99Å; E64-L402 HydrophobicContact CG-CD1 4.21Å |
| 65 | F | 93.7 | Very high | 91.1 | Very high | 98 Ų | 98 | 30.9 Ų | 30.9 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.1 | -42 | 176.8 | -175.1 | -112.2 | 0 | 0 | 0 | 111.7 | V61 L67 I68 L69 | V61-F65 WeakPolarHBondContact O-CB 3.4Å; V61-F65 PolarHBondContact O-N 2.87Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.47Å; F65-I68 PolarHBondContact O-N 2.88Å; F65-L69 HydrophobicContact CD1-CD1 4.03Å; F65-L69 HydrophobicContact CD1-CG 4.45Å; F65-L69 HydrophobicContact CE1-CD1 3.52Å; F65-L69 HydrophobicContact CE1-CG 4.08Å; F65-L69 HydrophobicContact CE2-CD2 4.38Å; F65-L69 HydrophobicContact CE2-CG 4.38Å; F65-L69 HydrophobicContact CZ-CD1 3.87Å; F65-L69 HydrophobicContact CZ-CD2 4.07Å; F65-L69 HydrophobicContact CZ-CG 4.04Å; F65-L69 WeakPolarHBondContact O-CG 3.12Å; F65-L69 PolarHBondContact O-N 3.37Å |
| 66 | G | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I62 Q63 L69 F70 G438 | I62-G66 PolarHBondContact O-N 3.09Å; Q63-G66 PolarHBondContact O-N 3.47Å; G66-L69 PolarHBondContact O-N 3.41Å; G66-F70 VanDerWaalsContact O-CB 3.27Å; G66-F70 WeakPolarHBondContact O-CB 3.22Å; G66-F70 PolarHBondContact O-N 2.91Å; G66-G438 CarbonylContact C-O 3.23Å; G66-G438 VanDerWaalsContact C-O 3.23Å; G66-G438 WeakPolarHBondContact CA-O 3.34Å; G66-G438 CarbonylContact O-C 3.56Å; G66-G438 VanDerWaalsContact O-C 3.22Å; G66-G438 WeakPolarHBondContact O-CA 3.34Å; G66-G438 VanDerWaalsContact O-O 3.14Å |
| 67 | L | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.4 | -177.2 | 62.1 | 0 | 0 | 0 | 112.1 | Q63 E64 F65 F70 V71 A403 F442 | Q63-L67 WeakPolarHBondContact O-CB 3.41Å; Q63-L67 PolarHBondContact O-N 2.79Å; E64-L67 WeakPolarHBondContact O-CB 3.22Å; E64-L67 PolarHBondContact O-N 3.3Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.47Å; L67-F70 PolarHBondContact O-N 3.32Å; L67-V71 HydrophobicContact CD1-CG2 3.75Å; L67-V71 HydrophobicContact CG-CG2 4.31Å; L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.11Å; L67-V71 PolarHBondContact O-N 3.02Å; L67-A403 HydrophobicContact CD2-CB 4.12Å; L67-A403 HydrophobicContact CG-CB 4.48Å; L67-F442 HydrophobicContact CB-CD2 3.78Å; L67-F442 HydrophobicContact CB-CE2 4.22Å; L67-F442 HydrophobicContact CB-CG 4.44Å; L67-F442 HydrophobicContact CD1-CD2 4.26Å; L67-F442 HydrophobicContact CD1-CE2 4.16Å; L67-F442 HydrophobicContact CD1-CZ 4.43Å; L67-F442 HydrophobicContact CD2-CE2 4.2Å; L67-F442 HydrophobicContact CG-CD2 4.44Å; L67-F442 HydrophobicContact CG-CE2 4.44Å |
| 68 | I | 92.8 | Very high | 89.8 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -50.5 | 178.2 | -70.4 | 162.5 | 0 | 0 | 0 | 110.8 | E64 F65 F70 V71 Y72 I378 V382 L402 P406 | E64-I68 VanDerWaalsContact O-CG1 3.27Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 3.49Å; F65-I68 PolarHBondContact O-N 2.88Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 PolarHBondContact O-N 3.49Å; I68-V71 PolarHBondContact O-N 3.4Å; I68-Y72 WeakPolarHBondContact O-CB 3.43Å; I68-Y72 PolarHBondContact O-N 2.75Å; I68-I378 HydrophobicContact CG2-CB 4.45Å; I68-I378 HydrophobicContact CG2-CD1 4.43Å; I68-I378 HydrophobicContact CG2-CG1 4.19Å; I68-I378 HydrophobicContact CG2-CG2 3.54Å; I68-V382 HydrophobicContact CD1-CG2 4.11Å; I68-L402 HydrophobicContact CD1-CB 4.12Å; I68-L402 HydrophobicContact CD1-CD1 4.26Å; I68-L402 HydrophobicContact CD1-CD2 4.2Å; I68-L402 HydrophobicContact CD1-CG 4.41Å; I68-L402 HydrophobicContact CG1-CB 3.91Å; I68-P406 HydrophobicContact CG1-CG 4.43Å; I68-P406 HydrophobicContact CG2-CB 4.45Å; I68-P406 HydrophobicContact CG2-CG 4.28Å |
| 69 | L | 93.8 | Very high | 89 | Confident | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 179.2 | -70.8 | -177.7 | 0 | 0 | 0 | 111.2 | F65 G66 T73 I378 L434 | F65-L69 HydrophobicContact CD1-CD1 4.03Å; F65-L69 HydrophobicContact CD1-CG 4.45Å; F65-L69 HydrophobicContact CE1-CD1 3.52Å; F65-L69 HydrophobicContact CE1-CG 4.08Å; F65-L69 HydrophobicContact CE2-CD2 4.38Å; F65-L69 HydrophobicContact CE2-CG 4.38Å; F65-L69 HydrophobicContact CZ-CD1 3.87Å; F65-L69 HydrophobicContact CZ-CD2 4.07Å; F65-L69 HydrophobicContact CZ-CG 4.04Å; F65-L69 WeakPolarHBondContact O-CG 3.12Å; F65-L69 PolarHBondContact O-N 3.37Å; G66-L69 PolarHBondContact O-N 3.41Å; L69-T73 WeakPolarHBondContact O-CB 3.16Å; L69-T73 WeakPolarHBondContact O-CG2 3.42Å; L69-T73 PolarHBondContact O-N 2.91Å; L69-T73 VanDerWaalsContact O-N 3.11Å; L69-T73 PolarHBondContact O-OG1 2.77Å; L69-I378 HydrophobicContact CD2-CD1 3.89Å; L69-L434 HydrophobicContact CD2-CD1 4.46Å; L69-L434 HydrophobicContact CD2-CD2 4.29Å; L69-L434 HydrophobicContact CD2-CG 4.32Å |
| 70 | F | 90.2 | Very high | 87.9 | Confident | 16 Ų | 16 | 25.8 Ų | 25.8 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | -179.3 | 172.6 | -124.4 | 0 | 0 | 0 | 112.6 | G66 L67 I68 T73 I74 T133 P134 R435 I439 | G66-F70 VanDerWaalsContact O-CB 3.27Å; G66-F70 WeakPolarHBondContact O-CB 3.22Å; G66-F70 PolarHBondContact O-N 2.91Å; L67-F70 PolarHBondContact O-N 3.32Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 PolarHBondContact O-N 3.49Å; F70-T73 PolarHBondContact O-OG1 3.11Å; F70-I74 HydrophobicContact CD1-CD1 4.45Å; F70-I74 HydrophobicContact CD2-CD1 4.06Å; F70-I74 HydrophobicContact CE1-CD1 3.99Å; F70-I74 HydrophobicContact CE2-CD1 3.49Å; F70-I74 VanDerWaalsContact CE2-CD1 3.49Å; F70-I74 HydrophobicContact CE2-CG1 4.3Å; F70-I74 HydrophobicContact CG-CD1 4.48Å; F70-I74 HydrophobicContact CZ-CD1 3.44Å; F70-I74 VanDerWaalsContact CZ-CD1 3.44Å; F70-I74 WeakPolarHBondContact O-CG1 3.28Å; F70-I74 PolarHBondContact O-N 3.02Å; F70-T133 HydrophobicContact CE1-CG2 4.37Å; F70-P134 HydrophobicContact CD1-CG 4.26Å; F70-P134 HydrophobicContact CE1-CB 4.34Å; F70-P134 VanDerWaalsContact CE1-CD 3.45Å; F70-P134 HydrophobicContact CE1-CG 3.36Å; F70-P134 HydrophobicContact CZ-CG 3.81Å; F70-R435 HydrophobicContact CD2-CG 3.5Å; F70-R435 HydrophobicContact CE2-CG 3.79Å; F70-I439 HydrophobicContact CB-CB 4.44Å; F70-I439 HydrophobicContact CD1-CB 4.41Å; F70-I439 HydrophobicContact CD2-CB 3.7Å; F70-I439 HydrophobicContact CD2-CD1 4.32Å; F70-I439 HydrophobicContact CD2-CG1 4.47Å; F70-I439 HydrophobicContact CD2-CG2 4.32Å; F70-I439 HydrophobicContact CE1-CD1 4Å; F70-I439 HydrophobicContact CE1-CG1 4.49Å; F70-I439 HydrophobicContact CE2-CB 4.01Å; F70-I439 HydrophobicContact CE2-CD1 3.75Å; F70-I439 HydrophobicContact CE2-CG1 4.39Å; F70-I439 HydrophobicContact CG-CB 3.95Å; F70-I439 HydrophobicContact CZ-CB 4.48Å; F70-I439 HydrophobicContact CZ-CD1 3.59Å; F70-I439 HydrophobicContact CZ-CG1 4.41Å |
| 71 | V | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.4 | -34.3 | -176 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | L67 I68 I74 G75 P134 A403 L407 | L67-V71 HydrophobicContact CD1-CG2 3.75Å; L67-V71 HydrophobicContact CG-CG2 4.31Å; L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.11Å; L67-V71 PolarHBondContact O-N 3.02Å; I68-V71 PolarHBondContact O-N 3.4Å; V71-I74 WeakPolarHBondContact O-CB 3.07Å; V71-I74 PolarHBondContact O-N 3.29Å; V71-G75 PolarHBondContact O-N 2.85Å; V71-P134 HydrophobicContact CG2-CB 4.1Å; V71-A403 WeakPolarHBondContact CG1-O 3.35Å; V71-L407 HydrophobicContact CG1-CB 3.49Å; V71-L407 VanDerWaalsContact CG1-CB 3.49Å; V71-L407 HydrophobicContact CG1-CD1 3.93Å; V71-L407 HydrophobicContact CG1-CG 4.2Å |
| 72 | Y | 92.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 174 | 178 | -94.9 | 0 | 0 | 0 | 112 | I68 I74 G75 I76 P373 V374 G377 I378 A410 | I68-Y72 WeakPolarHBondContact O-CB 3.43Å; I68-Y72 PolarHBondContact O-N 2.75Å; Y72-I74 VanDerWaalsContact C-N 3.27Å; Y72-I74 PolarHBondContact O-N 3.14Å; Y72-G75 PolarHBondContact O-N 3.38Å; Y72-I76 HydrophobicContact CD1-CG1 4.23Å; Y72-I76 HydrophobicContact CE1-CD1 4.4Å; Y72-I76 HydrophobicContact CE1-CG1 3.65Å; Y72-I76 HydrophobicContact CE2-CD1 4.34Å; Y72-I76 HydrophobicContact CE2-CG1 4.17Å; Y72-I76 PolarHBondContact O-N 2.86Å; Y72-P373 PolarHBondContact OH-O 3.17Å; Y72-V374 HydrophobicContact CD1-CG1 4.42Å; Y72-V374 HydrophobicContact CE1-CB 4.4Å; Y72-V374 HydrophobicContact CE1-CG1 3.95Å; Y72-G377 VanDerWaalsContact CE2-C 3.41Å; Y72-I378 HydrophobicContact CD1-CD1 4.26Å; Y72-I378 HydrophobicContact CD1-CG1 3.92Å; Y72-I378 HydrophobicContact CD2-CG1 3.76Å; Y72-I378 HydrophobicContact CE1-CG1 4.32Å; Y72-I378 HydrophobicContact CE2-CG1 4.19Å; Y72-I378 HydrophobicContact CG-CD1 4.36Å; Y72-I378 HydrophobicContact CG-CG1 3.63Å; Y72-A410 HydrophobicContact CD2-CB 3.61Å; Y72-A410 HydrophobicContact CE2-CB 3.83Å; Y72-A410 HydrophobicContact CG-CB 4.23Å; Y72-A410 VanDerWaalsContact O-CB 3.29Å; Y72-A410 WeakPolarHBondContact O-CB 3.25Å |
| 73 | T | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -34.1 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | L69 F70 Q77 M426 N431 L434 R435 | L69-T73 WeakPolarHBondContact O-CB 3.16Å; L69-T73 WeakPolarHBondContact O-CG2 3.42Å; L69-T73 PolarHBondContact O-N 2.91Å; L69-T73 VanDerWaalsContact O-N 3.11Å; L69-T73 PolarHBondContact O-OG1 2.77Å; F70-T73 PolarHBondContact O-OG1 3.11Å; T73-Q77 WeakPolarHBondContact O-CB 3.45Å; T73-Q77 PolarHBondContact O-N 3.47Å; T73-Q77 VanDerWaalsContact O-N 3.17Å; T73-M426 HydrophobicContact CG2-SD 4.47Å; T73-N431 WeakPolarHBondContact CA-OD1 3.48Å; T73-N431 VanDerWaalsContact CB-OD1 3.29Å; T73-N431 WeakPolarHBondContact CB-OD1 3.33Å; T73-N431 PolarHBondContact O-ND2 2.86Å; T73-N431 PolarHBondContact O-OD1 3.48Å; T73-L434 HydrophobicContact CG2-CB 3.87Å; T73-L434 HydrophobicContact CG2-CD2 3.73Å; T73-L434 HydrophobicContact CG2-CG 4.03Å; T73-R435 HydrophobicContact CG2-CB 4.49Å; T73-R435 WeakPolarHBondContact OG1-CA 3.11Å; T73-R435 VanDerWaalsContact OG1-CB 3.25Å; T73-R435 WeakPolarHBondContact OG1-CB 3.33Å; T73-R435 WeakPolarHBondContact OG1-CG 3.31Å |
| 74 | I | 84.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -55.4 | 166.8 | -81.6 | 171.8 | 0 | 0 | 0 | 110.2 | F70 V71 Y72 I76 Q77 V78 P134 L407 M535 | F70-I74 HydrophobicContact CD1-CD1 4.45Å; F70-I74 HydrophobicContact CD2-CD1 4.06Å; F70-I74 HydrophobicContact CE1-CD1 3.99Å; F70-I74 HydrophobicContact CE2-CD1 3.49Å; F70-I74 VanDerWaalsContact CE2-CD1 3.49Å; F70-I74 HydrophobicContact CE2-CG1 4.3Å; F70-I74 HydrophobicContact CG-CD1 4.48Å; F70-I74 HydrophobicContact CZ-CD1 3.44Å; F70-I74 VanDerWaalsContact CZ-CD1 3.44Å; F70-I74 WeakPolarHBondContact O-CG1 3.28Å; F70-I74 PolarHBondContact O-N 3.02Å; V71-I74 WeakPolarHBondContact O-CB 3.07Å; V71-I74 PolarHBondContact O-N 3.29Å; Y72-I74 VanDerWaalsContact C-N 3.27Å; Y72-I74 PolarHBondContact O-N 3.14Å; I74-I76 VanDerWaalsContact C-N 3.34Å; I74-I76 PolarHBondContact O-N 3.23Å; I74-Q77 WeakPolarHBondContact O-CB 3.46Å; I74-Q77 PolarHBondContact O-N 3.36Å; I74-V78 HydrophobicContact CG2-CG2 4.05Å; I74-V78 WeakPolarHBondContact O-CG2 3.26Å; I74-V78 PolarHBondContact O-N 3.2Å; I74-P134 HydrophobicContact CD1-CG 3.95Å; I74-L407 HydrophobicContact CG2-CD1 3.86Å; I74-M535 HydrophobicContact CB-SD 4.35Å; I74-M535 HydrophobicContact CD1-CE 3.87Å; I74-M535 HydrophobicContact CD1-SD 4.19Å; I74-M535 HydrophobicContact CG1-CE 4.5Å; I74-M535 HydrophobicContact CG1-SD 4.37Å; I74-M535 HydrophobicContact CG2-CE 4.23Å; I74-M535 HydrophobicContact CG2-CG 4.23Å; I74-M535 HydrophobicContact CG2-SD 3.14Å; I74-M535 WeakPolarHBondContact CG2-SD 3.23Å |
| 75 | G | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V71 Y72 Q77 V78 G79 A410 | V71-G75 PolarHBondContact O-N 2.85Å; Y72-G75 PolarHBondContact O-N 3.38Å; G75-Q77 VanDerWaalsContact C-N 3.34Å; G75-Q77 PolarHBondContact O-N 3.13Å; G75-V78 PolarHBondContact O-N 3.13Å; G75-G79 WeakPolarHBondContact O-CA 3.27Å; G75-G79 PolarHBondContact O-N 2.79Å; G75-A410 CarbonylContact C-O 3.22Å; G75-A410 CarbonylContact O-C 3.59Å |
| 76 | I | 86.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.7 | -70.6 | -64.2 | 0 | 0 | 0 | 110.5 | Y72 I74 A410 L413 W424 M426 | Y72-I76 HydrophobicContact CD1-CG1 4.23Å; Y72-I76 HydrophobicContact CE1-CD1 4.4Å; Y72-I76 HydrophobicContact CE1-CG1 3.65Å; Y72-I76 HydrophobicContact CE2-CD1 4.34Å; Y72-I76 HydrophobicContact CE2-CG1 4.17Å; Y72-I76 PolarHBondContact O-N 2.86Å; I74-I76 VanDerWaalsContact C-N 3.34Å; I74-I76 PolarHBondContact O-N 3.23Å; I76-A410 HydrophobicContact CD1-CB 4.2Å; I76-A410 HydrophobicContact CG1-CB 3.98Å; I76-L413 HydrophobicContact CD1-CB 4.33Å; I76-W424 HydrophobicContact CD1-CB 4.35Å; I76-M426 HydrophobicContact CG2-CB 4.4Å |
| 77 | Q | 81.8 | Confident | 78.1 | Confident | 101 Ų | 101 | 33 Ų | 33 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.8 | -44 | 179.4 | -175.7 | 174.4 | 24.3 | 0 | 0 | 112.7 | T73 I74 G75 N431 | T73-Q77 WeakPolarHBondContact O-CB 3.45Å; T73-Q77 PolarHBondContact O-N 3.47Å; T73-Q77 VanDerWaalsContact O-N 3.17Å; I74-Q77 WeakPolarHBondContact O-CB 3.46Å; I74-Q77 PolarHBondContact O-N 3.36Å; G75-Q77 VanDerWaalsContact C-N 3.34Å; G75-Q77 PolarHBondContact O-N 3.13Å; Q77-N431 PolarHBondContact OE1-ND2 3.39Å |
| 78 | V | 73.1 | Confident | 76.2 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -86.4 | -15.5 | -176.9 | -72.3 | 0 | 0 | 0 | 0 | 113.8 | I74 G75 G81 F82 L411 Y531 P532 | I74-V78 HydrophobicContact CG2-CG2 4.05Å; I74-V78 WeakPolarHBondContact O-CG2 3.26Å; I74-V78 PolarHBondContact O-N 3.2Å; G75-V78 PolarHBondContact O-N 3.13Å; V78-G81 CarbonylContact O-C 3.56Å; V78-G81 WeakPolarHBondContact O-CA 3.28Å; V78-G81 PolarHBondContact O-N 3.3Å; V78-F82 WeakPolarHBondContact O-CB 3.33Å; V78-F82 PolarHBondContact O-N 3.45Å; V78-L411 HydrophobicContact CB-CD2 4.29Å; V78-L411 HydrophobicContact CG2-CD2 3.52Å; V78-Y531 HydrophobicContact CG1-CD1 3.73Å; V78-Y531 HydrophobicContact CG1-CE1 3.72Å; V78-P532 HydrophobicContact CB-CB 4Å; V78-P532 HydrophobicContact CB-CG 4.15Å; V78-P532 HydrophobicContact CG1-CB 4.29Å; V78-P532 HydrophobicContact CG1-CG 4.09Å |
| 79 | G | 74.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50 | -55.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | G75 G81 F82 F83 L411 | G75-G79 WeakPolarHBondContact O-CA 3.27Å; G75-G79 PolarHBondContact O-N 2.79Å; G79-G81 VanDerWaalsContact C-N 3.29Å; G79-G81 PolarHBondContact O-N 3.48Å; G79-F82 PolarHBondContact O-N 2.81Å; G79-F83 WeakPolarHBondContact O-CD2 3.3Å; G79-L411 WeakPolarHBondContact CA-O 3.33Å |
| 80 | P | 70.6 | Confident | 73.2 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -39.5 | 176.1 | -24.2 | 33.3 | 0 | 0 | 0 | 113.3 | G414 | P80-G414 WeakPolarHBondContact CG-O 3.37Å |
| 81 | G | 63.9 | Low | 72.7 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.3 | -32.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V78 G79 F83 A84 S85 | V78-G81 CarbonylContact O-C 3.56Å; V78-G81 WeakPolarHBondContact O-CA 3.28Å; V78-G81 PolarHBondContact O-N 3.3Å; G79-G81 VanDerWaalsContact C-N 3.29Å; G79-G81 PolarHBondContact O-N 3.48Å; G81-F83 PolarHBondContact O-N 2.93Å; G81-A84 PolarHBondContact O-N 3.42Å; G81-S85 WeakPolarHBondContact O-CB 3.48Å; G81-S85 PolarHBondContact O-N 3.49Å |
| 82 | F | 67.3 | Low | 72.6 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 10% | 0.101 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | -177.6 | -177.1 | -87.1 | 0 | 0 | 0 | 112.2 | V78 G79 S85 L86 L411 P532 L533 F536 | V78-F82 WeakPolarHBondContact O-CB 3.33Å; V78-F82 PolarHBondContact O-N 3.45Å; G79-F82 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 3.4Å; F82-L86 HydrophobicContact CE1-CD1 4.1Å; F82-L411 HydrophobicContact CB-CD2 4.04Å; F82-L411 HydrophobicContact CD2-CD2 4.4Å; F82-L411 HydrophobicContact CG-CD2 4.29Å; F82-P532 HydrophobicContact CB-CB 3.82Å; F82-P532 HydrophobicContact CD2-CB 3.88Å; F82-P532 WeakPolarHBondContact CD2-O 3.27Å; F82-P532 HydrophobicContact CG-CB 4.32Å; F82-L533 HydrophobicContact CE2-CB 4.47Å; F82-L533 HydrophobicContact CE2-CD1 4.04Å; F82-L533 HydrophobicContact CZ-CD1 4.1Å; F82-F536 HydrophobicContact CE2-CB 3.8Å; F82-F536 HydrophobicContact CE2-CD1 4.34Å; F82-F536 HydrophobicContact CE2-CG 4.1Å; F82-F536 HydrophobicContact CZ-CD1 4.35Å; F82-F536 HydrophobicContact CZ-CG 4.43Å |
| 83 | F | 67.2 | Low | 72.4 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.1 | -27 | 179.8 | -64.9 | -84.8 | 0 | 0 | 0 | 112.4 | G79 G81 R415 | G79-F83 WeakPolarHBondContact O-CD2 3.3Å; G81-F83 PolarHBondContact O-N 2.93Å; F83-R415 HydrophobicContact CD2-CB 3.75Å; F83-R415 HydrophobicContact CD2-CG 3.55Å; F83-R415 HydrophobicContact CE2-CB 3.78Å; F83-R415 HydrophobicContact CE2-CG 3.86Å; F83-R415 HydrophobicContact CG-CG 4.22Å |
| 84 | A | 60.7 | Low | 72.4 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G81 L86 R87 | G81-A84 PolarHBondContact O-N 3.42Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 2.83Å; A84-R87 WeakPolarHBondContact O-CB 3.39Å; A84-R87 PolarHBondContact O-N 2.95Å |
| 85 | S | 61.4 | Low | 72.8 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -26.6 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | G81 F82 R87 N94 T529 | G81-S85 WeakPolarHBondContact O-CB 3.48Å; G81-S85 PolarHBondContact O-N 3.49Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 3.4Å; S85-R87 PolarHBondContact O-N 2.68Å; S85-N94 PolarHBondContact O-ND2 3.2Å; S85-T529 WeakPolarHBondContact CB-O 3.34Å |
| 86 | L | 61.8 | Low | 73.2 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -5.1 | 174.2 | -65.6 | 174.2 | 0 | 0 | 0 | 113.7 | F82 A84 L533 | F82-L86 HydrophobicContact CE1-CD1 4.1Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 2.83Å; L86-L533 HydrophobicContact CD2-CD1 4.34Å; L86-L533 HydrophobicContact CD2-CD2 4.17Å |
| 87 | R | 61.3 | Low | 73.6 | Confident | 169 Ų | 169 | 61.2 Ų | 61.2 | 64% | 0.638 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -78.6 | 160.3 | 175.3 | -63.2 | -176.2 | -171.8 | 164.8 | 1.5 | 112.2 | A84 S85 S89 G90 L91 | A84-R87 WeakPolarHBondContact O-CB 3.39Å; A84-R87 PolarHBondContact O-N 2.95Å; S85-R87 PolarHBondContact O-N 2.68Å; R87-S89 VanDerWaalsContact C-N 3.29Å; R87-S89 PolarHBondContact O-N 3.09Å; R87-G90 PolarHBondContact O-N 3.38Å; R87-L91 PolarHBondContact O-N 3.5Å |
| 88 | V | 49.3 | Very low | 74.3 | Confident | 132 Ų | 132 | 58.2 Ų | 58.2 | 80% | 0.8 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -47.4 | -42 | -167.1 | -175 | 0 | 0 | 0 | 0 | 114.5 | G90 L91 | V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.3Å; V88-L91 PolarHBondContact O-N 3.12Å |
| 89 | S | 55.3 | Low | 75.4 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 87% | 0.867 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.1 | -25.7 | -178.3 | -49 | 0 | 0 | 0 | 0 | 114 | R87 | R87-S89 VanDerWaalsContact C-N 3.29Å; R87-S89 PolarHBondContact O-N 3.09Å |
| 90 | G | 70 | Confident | 76.6 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -97.2 | -12 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R87 V88 R92 L93 N94 | R87-G90 PolarHBondContact O-N 3.38Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.3Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.47Å; G90-L93 PolarHBondContact O-N 3Å; G90-L93 VanDerWaalsContact O-N 3.14Å; G90-N94 WeakPolarHBondContact O-CB 3.24Å; G90-N94 PolarHBondContact O-N 3.34Å; G90-N94 PolarHBondContact O-ND2 3.1Å |
| 91 | L | 79.7 | Confident | 77.8 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | -170.3 | -175 | 64.4 | 0 | 0 | 0 | 112.5 | R87 V88 L93 N94 L95 | R87-L91 PolarHBondContact O-N 3.5Å; V88-L91 PolarHBondContact O-N 3.12Å; L91-L93 PolarHBondContact O-N 2.89Å; L91-N94 PolarHBondContact O-N 3.08Å; L91-L95 HydrophobicContact CG-CD1 4.14Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.33Å |
| 92 | R | 86.3 | Confident | 79.4 | Confident | 138 Ų | 138 | 60.4 Ų | 60.4 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.5 | -164.7 | -177.9 | -159.1 | 176 | 11.5 | 112.2 | G90 L95 F96 A489 | G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.47Å; R92-L95 PolarHBondContact O-N 3.15Å; R92-F96 HydrophobicContact CG-CD2 4.46Å; R92-F96 HydrophobicContact CG-CE2 4.13Å; R92-F96 VanDerWaalsContact O-CD2 3.25Å; R92-F96 WeakPolarHBondContact O-CD2 3.18Å; R92-F96 PolarHBondContact O-N 3.37Å; R92-A489 PolarHBondContact NH1-O 2.82Å; R92-A489 PolarHBondContact NH2-O 2.92Å |
| 93 | L | 88.4 | Confident | 80.9 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 178 | -69.4 | 170.7 | 0 | 0 | 0 | 110.8 | G90 L91 L95 F96 A97 M491 T495 M499 T529 V530 | G90-L93 PolarHBondContact O-N 3Å; G90-L93 VanDerWaalsContact O-N 3.14Å; L91-L93 PolarHBondContact O-N 2.89Å; L93-L95 PolarHBondContact O-N 3.36Å; L93-F96 PolarHBondContact O-N 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.29Å; L93-A97 PolarHBondContact O-N 3.36Å; L93-M491 HydrophobicContact CD2-CE 3.61Å; L93-M491 HydrophobicContact CD2-SD 3.62Å; L93-T495 HydrophobicContact CD1-CG2 4.46Å; L93-T495 HydrophobicContact CD2-CG2 3.59Å; L93-M499 HydrophobicContact CD2-CB 4.27Å; L93-M499 HydrophobicContact CD2-CG 4.4Å; L93-T529 HydrophobicContact CB-CG2 4.33Å; L93-T529 HydrophobicContact CD1-CG2 4.06Å; L93-V530 HydrophobicContact CB-CG1 3.66Å |
| 94 | N | 89.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 177.4 | -82.6 | -42.1 | 0 | 0 | 0 | 112.5 | S85 G90 L91 F96 A97 V98 V530 L533 | S85-N94 PolarHBondContact O-ND2 3.2Å; G90-N94 WeakPolarHBondContact O-CB 3.24Å; G90-N94 PolarHBondContact O-N 3.34Å; G90-N94 PolarHBondContact O-ND2 3.1Å; L91-N94 PolarHBondContact O-N 3.08Å; N94-F96 PolarHBondContact O-N 3.15Å; N94-A97 PolarHBondContact O-N 2.91Å; N94-V98 WeakPolarHBondContact O-CB 3.3Å; N94-V98 WeakPolarHBondContact O-CG2 3.33Å; N94-V98 PolarHBondContact O-N 3Å; N94-V530 WeakPolarHBondContact OD1-CA 3.48Å; N94-L533 HydrophobicContact CB-CD2 3.79Å |
| 95 | L | 93.8 | Very high | 84 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 176.2 | -79.8 | 164.3 | 0 | 0 | 0 | 112.3 | L91 R92 L93 V98 L99 | L91-L95 HydrophobicContact CG-CD1 4.14Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.33Å; R92-L95 PolarHBondContact O-N 3.15Å; L93-L95 PolarHBondContact O-N 3.36Å; L95-V98 PolarHBondContact O-N 3.46Å; L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 PolarHBondContact O-N 3.3Å |
| 96 | F | 95.7 | Very high | 85.7 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.6 | -74.3 | -65 | 0 | 0 | 0 | 112 | R92 L93 N94 L99 I100 V481 L484 A485 A489 M491 M499 | R92-F96 HydrophobicContact CG-CD2 4.46Å; R92-F96 HydrophobicContact CG-CE2 4.13Å; R92-F96 VanDerWaalsContact O-CD2 3.25Å; R92-F96 WeakPolarHBondContact O-CD2 3.18Å; R92-F96 PolarHBondContact O-N 3.37Å; L93-F96 PolarHBondContact O-N 3.27Å; N94-F96 PolarHBondContact O-N 3.15Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 PolarHBondContact O-N 3.02Å; F96-I100 WeakPolarHBondContact O-CG1 3.45Å; F96-I100 PolarHBondContact O-N 3.5Å; F96-V481 HydrophobicContact CB-CG1 3.92Å; F96-V481 HydrophobicContact CD1-CG1 3.77Å; F96-V481 HydrophobicContact CG-CG1 4.28Å; F96-L484 HydrophobicContact CE1-CB 4.42Å; F96-A485 HydrophobicContact CD1-CB 4.08Å; F96-A485 HydrophobicContact CD2-CB 4.29Å; F96-A485 HydrophobicContact CE1-CB 4.07Å; F96-A485 HydrophobicContact CE2-CB 4.29Å; F96-A485 HydrophobicContact CG-CB 4.19Å; F96-A485 HydrophobicContact CZ-CB 4.18Å; F96-A489 HydrophobicContact CE2-CB 3.57Å; F96-A489 HydrophobicContact CZ-CB 3.66Å; F96-M491 HydrophobicContact CD2-CE 3.63Å; F96-M491 HydrophobicContact CE2-CE 3.85Å; F96-M499 HydrophobicContact CB-CE 3.99Å; F96-M499 HydrophobicContact CB-SD 4.22Å |
| 97 | A | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L93 N94 L99 I100 V101 M499 V530 V534 | L93-A97 WeakPolarHBondContact O-CB 3.29Å; L93-A97 PolarHBondContact O-N 3.36Å; N94-A97 PolarHBondContact O-N 2.91Å; A97-L99 VanDerWaalsContact C-N 3.33Å; A97-I100 WeakPolarHBondContact O-CB 3.22Å; A97-I100 PolarHBondContact O-N 2.91Å; A97-V101 PolarHBondContact O-N 2.76Å; A97-M499 HydrophobicContact CB-CG 4.47Å; A97-V530 HydrophobicContact CB-CB 3.67Å; A97-V530 HydrophobicContact CB-CG1 3.82Å; A97-V530 HydrophobicContact CB-CG2 4.24Å; A97-V534 HydrophobicContact CB-CG2 3.51Å |
| 98 | V | 95.6 | Very high | 89.1 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 171.4 | 170 | 0 | 0 | 0 | 0 | 110.4 | N94 L95 I100 V101 I102 L533 L537 | N94-V98 WeakPolarHBondContact O-CB 3.3Å; N94-V98 WeakPolarHBondContact O-CG2 3.33Å; N94-V98 PolarHBondContact O-N 3Å; L95-V98 PolarHBondContact O-N 3.46Å; V98-I100 VanDerWaalsContact C-N 3.28Å; V98-I100 PolarHBondContact O-N 3.04Å; V98-V101 PolarHBondContact O-N 2.93Å; V98-V101 VanDerWaalsContact O-N 3.09Å; V98-I102 HydrophobicContact CG1-CD1 3.74Å; V98-I102 HydrophobicContact CG1-CG1 4.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.35Å; V98-I102 PolarHBondContact O-N 3.03Å; V98-L533 HydrophobicContact CG2-CD2 3.69Å; V98-L533 HydrophobicContact CG2-CG 4.33Å; V98-L537 HydrophobicContact CB-CD1 4.45Å; V98-L537 HydrophobicContact CG1-CD1 4.44Å; V98-L537 HydrophobicContact CG2-CD1 3.7Å |
| 99 | L | 97.2 | Very high | 91.3 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.6 | -175.9 | 62.4 | 0 | 0 | 0 | 111.9 | L95 F96 A97 I102 I103 V481 L484 | L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 PolarHBondContact O-N 3.3Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 PolarHBondContact O-N 3.02Å; A97-L99 VanDerWaalsContact C-N 3.33Å; L99-I102 PolarHBondContact O-N 3.35Å; L99-I103 HydrophobicContact CD1-CD1 3.93Å; L99-I103 HydrophobicContact CD1-CG1 4.13Å; L99-I103 HydrophobicContact CD2-CD1 4.49Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.39Å; L99-I103 WeakPolarHBondContact O-CB 3.37Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 3.26Å; L99-V481 HydrophobicContact CB-CG2 4.3Å; L99-V481 HydrophobicContact CD2-CG2 3.9Å; L99-V481 HydrophobicContact CG-CG2 3.8Å; L99-L484 HydrophobicContact CD2-CD1 4.3Å |
| 100 | I | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 173.8 | -68.7 | 169 | 0 | 0 | 0 | 111 | F96 A97 V98 G104 P477 L478 V481 M499 L500 S503 M504 | F96-I100 WeakPolarHBondContact O-CG1 3.45Å; F96-I100 PolarHBondContact O-N 3.5Å; A97-I100 WeakPolarHBondContact O-CB 3.22Å; A97-I100 PolarHBondContact O-N 2.91Å; V98-I100 VanDerWaalsContact C-N 3.28Å; V98-I100 PolarHBondContact O-N 3.04Å; I100-G104 PolarHBondContact O-N 3.16Å; I100-P477 HydrophobicContact CG2-CB 4.03Å; I100-L478 HydrophobicContact CD1-CD2 4.41Å; I100-L478 HydrophobicContact CG2-CD2 4.44Å; I100-V481 HydrophobicContact CD1-CB 4.06Å; I100-V481 HydrophobicContact CD1-CG1 3.92Å; I100-V481 HydrophobicContact CG1-CB 3.5Å; I100-V481 VanDerWaalsContact CG1-CB 3.5Å; I100-V481 HydrophobicContact CG1-CG1 3.64Å; I100-V481 HydrophobicContact CG1-CG2 3.6Å; I100-M499 HydrophobicContact CD1-CE 4.45Å; I100-M499 HydrophobicContact CD1-SD 3.6Å; I100-L500 HydrophobicContact CD1-CD2 3.6Å; I100-S503 VanDerWaalsContact CD1-OG 3.24Å; I100-S503 WeakPolarHBondContact CD1-OG 3.3Å; I100-M504 HydrophobicContact CG2-CE 3.84Å |
| 101 | V | 97 | Very high | 94.5 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 178.5 | 179 | 0 | 0 | 0 | 0 | 111 | A97 V98 G104 G105 V534 L537 R538 | A97-V101 PolarHBondContact O-N 2.76Å; V98-V101 PolarHBondContact O-N 2.93Å; V98-V101 VanDerWaalsContact O-N 3.09Å; V101-G104 PolarHBondContact O-N 2.91Å; V101-G105 PolarHBondContact O-N 3.09Å; V101-V534 HydrophobicContact CG2-CB 4.49Å; V101-V534 HydrophobicContact CG2-CG1 3.86Å; V101-V534 HydrophobicContact CG2-CG2 4.47Å; V101-L537 HydrophobicContact CG1-CB 4.02Å; V101-R538 HydrophobicContact CG1-CG 4.31Å; V101-R538 HydrophobicContact CG2-CG 4.01Å |
| 102 | I | 97.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -50.3 | 178.9 | -67.6 | 170.8 | 0 | 0 | 0 | 110.7 | V98 L99 G104 G105 L106 | V98-I102 HydrophobicContact CG1-CD1 3.74Å; V98-I102 HydrophobicContact CG1-CG1 4.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.35Å; V98-I102 PolarHBondContact O-N 3.03Å; L99-I102 PolarHBondContact O-N 3.35Å; I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.24Å; I102-G105 PolarHBondContact O-N 3.19Å; I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.39Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.41Å |
| 103 | I | 97.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.9 | -63.3 | 170.8 | 0 | 0 | 0 | 110.1 | L99 G105 L106 V107 V476 P477 T480 V481 | L99-I103 HydrophobicContact CD1-CD1 3.93Å; L99-I103 HydrophobicContact CD1-CG1 4.13Å; L99-I103 HydrophobicContact CD2-CD1 4.49Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.39Å; L99-I103 WeakPolarHBondContact O-CB 3.37Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 3.26Å; I103-G105 PolarHBondContact O-N 3.23Å; I103-L106 PolarHBondContact O-N 3.31Å; I103-V107 HydrophobicContact CG2-CG2 4.08Å; I103-V107 WeakPolarHBondContact O-CB 3.26Å; I103-V107 VanDerWaalsContact O-CG2 3.26Å; I103-V107 WeakPolarHBondContact O-CG2 3.32Å; I103-V107 PolarHBondContact O-N 3.1Å; I103-V476 HydrophobicContact CG2-CG1 4.41Å; I103-P477 HydrophobicContact CB-CB 4.13Å; I103-P477 HydrophobicContact CB-CG 4.39Å; I103-P477 HydrophobicContact CG2-CB 4.02Å; I103-P477 HydrophobicContact CG2-CG 3.98Å; I103-T480 HydrophobicContact CD1-CG2 4.42Å; I103-V481 HydrophobicContact CD1-CG2 3.71Å |
| 104 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I100 V101 I102 T108 | I100-G104 PolarHBondContact O-N 3.16Å; V101-G104 PolarHBondContact O-N 2.91Å; I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.24Å; G104-T108 WeakPolarHBondContact O-CB 3.16Å; G104-T108 PolarHBondContact O-N 3.38Å; G104-T108 PolarHBondContact O-OG1 2.91Å |
| 105 | G | 96.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V101 I102 I103 T108 A109 | V101-G105 PolarHBondContact O-N 3.09Å; I102-G105 PolarHBondContact O-N 3.19Å; I103-G105 PolarHBondContact O-N 3.23Å; G105-T108 WeakPolarHBondContact O-CB 3.41Å; G105-T108 PolarHBondContact O-N 3.18Å; G105-A109 WeakPolarHBondContact O-CB 3.34Å; G105-A109 PolarHBondContact O-N 2.92Å |
| 106 | L | 96.9 | Very high | 96 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 52% | 0.518 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 177.1 | -72.9 | 172.1 | 0 | 0 | 0 | 112.7 | I102 I103 T108 A109 I110 | I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.39Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 3.41Å; I103-L106 PolarHBondContact O-N 3.31Å; L106-T108 VanDerWaalsContact C-N 3.27Å; L106-T108 PolarHBondContact O-N 3.11Å; L106-A109 WeakPolarHBondContact O-CB 3.46Å; L106-A109 PolarHBondContact O-N 2.79Å; L106-I110 VanDerWaalsContact O-CG1 3.27Å; L106-I110 WeakPolarHBondContact O-CG1 3.18Å; L106-I110 PolarHBondContact O-N 3.42Å |
| 107 | V | 97.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 12% | 0.121 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | I103 A109 I110 L111 I473 V476 | I103-V107 HydrophobicContact CG2-CG2 4.08Å; I103-V107 WeakPolarHBondContact O-CB 3.26Å; I103-V107 VanDerWaalsContact O-CG2 3.26Å; I103-V107 WeakPolarHBondContact O-CG2 3.32Å; I103-V107 PolarHBondContact O-N 3.1Å; V107-A109 PolarHBondContact O-N 3.45Å; V107-I110 PolarHBondContact O-N 3.45Å; V107-L111 HydrophobicContact CG1-CD1 3.93Å; V107-L111 HydrophobicContact CG1-CG 4.34Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.27Å; V107-L111 WeakPolarHBondContact O-CG 3.06Å; V107-L111 PolarHBondContact O-N 2.97Å; V107-I473 HydrophobicContact CG1-CG1 3.95Å; V107-V476 HydrophobicContact CG2-CB 4.1Å; V107-V476 HydrophobicContact CG2-CG1 3.75Å |
| 108 | T | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | G104 G105 L106 I110 L111 H112 V122 F126 I473 L545 | G104-T108 WeakPolarHBondContact O-CB 3.16Å; G104-T108 PolarHBondContact O-N 3.38Å; G104-T108 PolarHBondContact O-OG1 2.91Å; G105-T108 WeakPolarHBondContact O-CB 3.41Å; G105-T108 PolarHBondContact O-N 3.18Å; L106-T108 VanDerWaalsContact C-N 3.27Å; L106-T108 PolarHBondContact O-N 3.11Å; T108-I110 PolarHBondContact O-N 3.12Å; T108-L111 PolarHBondContact O-N 3.08Å; T108-H112 WeakPolarHBondContact O-CB 3.22Å; T108-H112 PolarHBondContact O-N 3.35Å; T108-V122 HydrophobicContact CG2-CG2 3.74Å; T108-F126 HydrophobicContact CG2-CB 3.81Å; T108-F126 HydrophobicContact CG2-CD2 4.37Å; T108-F126 HydrophobicContact CG2-CG 4.34Å; T108-F126 VanDerWaalsContact OG1-CD2 3.22Å; T108-F126 WeakPolarHBondContact OG1-CD2 3.35Å; T108-I473 HydrophobicContact CG2-CD1 4.33Å; T108-L545 HydrophobicContact CG2-CD1 3.98Å |
| 109 | A | 95.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G105 L106 V107 K113 F549 | G105-A109 WeakPolarHBondContact O-CB 3.34Å; G105-A109 PolarHBondContact O-N 2.92Å; L106-A109 WeakPolarHBondContact O-CB 3.46Å; L106-A109 PolarHBondContact O-N 2.79Å; V107-A109 PolarHBondContact O-N 3.45Å; A109-K113 PolarHBondContact O-N 2.88Å; A109-F549 HydrophobicContact CB-CE1 4.46Å; A109-F549 HydrophobicContact CB-CE2 4.36Å; A109-F549 HydrophobicContact CB-CZ 3.56Å |
| 110 | I | 96.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 48 Ų | 48 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 177.8 | -68.7 | 164.3 | 0 | 0 | 0 | 110 | L106 V107 T108 H112 K113 L114 | L106-I110 VanDerWaalsContact O-CG1 3.27Å; L106-I110 WeakPolarHBondContact O-CG1 3.18Å; L106-I110 PolarHBondContact O-N 3.42Å; V107-I110 PolarHBondContact O-N 3.45Å; T108-I110 PolarHBondContact O-N 3.12Å; I110-H112 PolarHBondContact O-N 3Å; I110-K113 PolarHBondContact O-N 3.49Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 PolarHBondContact O-N 3.22Å |
| 111 | L | 96.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 179 | -69.3 | 174 | 0 | 0 | 0 | 111.8 | V107 T108 K113 L114 F115 I117 Y469 L472 I473 | V107-L111 HydrophobicContact CG1-CD1 3.93Å; V107-L111 HydrophobicContact CG1-CG 4.34Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.27Å; V107-L111 WeakPolarHBondContact O-CG 3.06Å; V107-L111 PolarHBondContact O-N 2.97Å; T108-L111 PolarHBondContact O-N 3.08Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 3.32Å; L111-F115 HydrophobicContact CD2-CD2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.59Å; L111-F115 PolarHBondContact O-N 2.82Å; L111-F115 VanDerWaalsContact O-N 3.11Å; L111-I117 HydrophobicContact CB-CD1 4.1Å; L111-I117 WeakPolarHBondContact O-CD1 3.21Å; L111-Y469 HydrophobicContact CD1-CD1 4.45Å; L111-Y469 HydrophobicContact CD2-CD1 4Å; L111-Y469 HydrophobicContact CD2-CE1 4.48Å; L111-L472 HydrophobicContact CD1-CB 4.32Å; L111-L472 HydrophobicContact CD2-CD1 4.08Å; L111-I473 HydrophobicContact CD1-CD1 3.99Å; L111-I473 HydrophobicContact CD1-CG1 3.73Å |
| 112 | H | 95.4 | Very high | 95.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.3 | -49.8 | 175 | 175 | 50 | 0 | 0 | 0 | 111.8 | T108 I110 D116 I117 V122 F549 | T108-H112 WeakPolarHBondContact O-CB 3.22Å; T108-H112 PolarHBondContact O-N 3.35Å; I110-H112 PolarHBondContact O-N 3Å; H112-D116 VanDerWaalsContact O-CA 3.29Å; H112-D116 WeakPolarHBondContact O-CA 3.4Å; H112-D116 PolarHBondContact O-N 3.13Å; H112-D116 VanDerWaalsContact O-N 3.14Å; H112-I117 PolarHBondContact CE1-O 3.04Å; H112-I117 PolarHBondContact ND1-O 3.21Å; H112-I117 PolarHBondContact O-N 3.35Å; H112-V122 HydrophobicContact CB-CB 4.44Å; H112-V122 HydrophobicContact CB-CG1 4.09Å; H112-V122 HydrophobicContact CB-CG2 4.05Å; H112-F549 HydrophobicContact CB-CE2 4.47Å; H112-F549 AromaticContact CD2-CD1 3.68Å; H112-F549 AromaticContact CD2-CD2 3.48Å; H112-F549 VanDerWaalsContact CD2-CD2 3.48Å; H112-F549 WeakPolarHBondContact CD2-CD2 3.32Å; H112-F549 AromaticContact CD2-CE1 3.95Å; H112-F549 AromaticContact CD2-CE2 3.73Å; H112-F549 AromaticContact CD2-CG 3.48Å; H112-F549 VanDerWaalsContact CD2-CG 3.48Å; H112-F549 WeakPolarHBondContact CD2-CG 3.38Å; H112-F549 AromaticContact CD2-CZ 3.98Å; H112-F549 AromaticContact NE2-CD2 3.92Å; H112-F549 AromaticContact NE2-CG 3.62Å |
| 113 | K | 93.2 | Very high | 95.3 | Very high | 126 Ų | 126 | 43.4 Ų | 43.4 | 55% | 0.548 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -77.8 | -32 | -177.1 | -73.8 | -157.7 | 173.6 | -164 | 0 | 114.6 | A109 I110 L111 | A109-K113 PolarHBondContact O-N 2.88Å; I110-K113 PolarHBondContact O-N 3.49Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.49Å |
| 114 | L | 94.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 42 Ų | 42 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -82.9 | -29.5 | -173.6 | -168.7 | 126.5 | 0 | 0 | 0 | 112.3 | I110 L111 | I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 PolarHBondContact O-N 3.22Å; L111-L114 PolarHBondContact O-N 3.32Å |
| 115 | F | 94.7 | Very high | 95.3 | Very high | 103 Ų | 103 | 42 Ų | 42 | 45% | 0.452 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 9.9 | -179.1 | -63 | -75 | 0 | 0 | 0 | 113.1 | L111 I117 Y469 | L111-F115 HydrophobicContact CD2-CD2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.59Å; L111-F115 PolarHBondContact O-N 2.82Å; L111-F115 VanDerWaalsContact O-N 3.11Å; F115-I117 HydrophobicContact CB-CD1 4.19Å; F115-I117 HydrophobicContact CB-CG1 3.82Å; F115-I117 PolarHBondContact O-N 3.4Å; F115-I117 VanDerWaalsContact O-N 3.13Å; F115-Y469 HydrophobicContact CD1-CE1 4.36Å; F115-Y469 WeakPolarHBondContact CD1-OH 3.32Å; F115-Y469 HydrophobicContact CD2-CD1 4.41Å; F115-Y469 AromaticContact CD2-CE1 3.64Å; F115-Y469 HydrophobicContact CD2-CE1 3.64Å; F115-Y469 AromaticContact CD2-CZ 4Å; F115-Y469 HydrophobicContact CE1-CE1 4.49Å; F115-Y469 AromaticContact CE2-CE1 3.8Å; F115-Y469 HydrophobicContact CE2-CE1 3.8Å; F115-Y469 AromaticContact CG-CE1 3.94Å; F115-Y469 HydrophobicContact CG-CE1 3.94Å; F115-Y469 AromaticContact CG-CZ 3.84Å; F115-Y469 WeakPolarHBondContact CG-OH 3.31Å; F115-Y469 HydrophobicContact CZ-CE1 4.23Å |
| 116 | D | 91.6 | Very high | 95.3 | Very high | 140 Ų | 140 | 41.6 Ų | 41.6 | 75% | 0.749 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 40.9 | -179.1 | -67.9 | -42.5 | 0 | 0 | 0 | 113.7 | H112 | H112-D116 VanDerWaalsContact O-CA 3.29Å; H112-D116 WeakPolarHBondContact O-CA 3.4Å; H112-D116 PolarHBondContact O-N 3.13Å; H112-D116 VanDerWaalsContact O-N 3.14Å |
| 117 | I | 93.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -70.5 | 129.2 | -176.5 | -52.7 | 169.5 | 0 | 0 | 0 | 108.4 | L111 H112 F115 L119 V121 V122 I125 Y469 | L111-I117 HydrophobicContact CB-CD1 4.1Å; L111-I117 WeakPolarHBondContact O-CD1 3.21Å; H112-I117 PolarHBondContact CE1-O 3.04Å; H112-I117 PolarHBondContact ND1-O 3.21Å; H112-I117 PolarHBondContact O-N 3.35Å; F115-I117 HydrophobicContact CB-CD1 4.19Å; F115-I117 HydrophobicContact CB-CG1 3.82Å; F115-I117 PolarHBondContact O-N 3.4Å; F115-I117 VanDerWaalsContact O-N 3.13Å; I117-L119 PolarHBondContact O-N 3.01Å; I117-V121 HydrophobicContact CG2-CB 4.01Å; I117-V121 HydrophobicContact CG2-CG1 3.69Å; I117-V122 HydrophobicContact CB-CB 4.22Å; I117-V122 HydrophobicContact CD1-CG2 4.35Å; I117-V122 HydrophobicContact CG2-CB 3.89Å; I117-V122 HydrophobicContact CG2-CG2 4.44Å; I117-I125 HydrophobicContact CG2-CD1 4.42Å; I117-Y469 HydrophobicContact CD1-CD2 3.39Å; I117-Y469 HydrophobicContact CD1-CE2 3.45Å; I117-Y469 VanDerWaalsContact CD1-CE2 3.45Å; I117-Y469 HydrophobicContact CD1-CG 3.97Å; I117-Y469 HydrophobicContact CG1-CD2 4.27Å; I117-Y469 HydrophobicContact CG1-CE2 3.9Å | ||
| 118 | P | 93 | Very high | 95.1 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | trans | -52.9 | 141.7 | 178 | -27.3 | 34.3 | 0 | 0 | 0 | 112.9 | V121 V122 | P118-V121 HydrophobicContact CB-CB 4.25Å; P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.32Å; P118-V121 WeakPolarHBondContact O-CB 3.33Å; P118-V121 PolarHBondContact O-N 2.9Å; P118-V122 PolarHBondContact O-N 3.28Å | ||
| 119 | L | 93.1 | Very high | 95 | Very high | 22 Ų | 22 | 36 Ų | 36 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.1 | -46.4 | -174.6 | -177.4 | 63.6 | 0 | 0 | 0 | 113.4 | I117 V121 V122 L123 L143 F549 W550 | I117-L119 PolarHBondContact O-N 3.01Å; L119-V121 VanDerWaalsContact C-N 3.28Å; L119-V121 PolarHBondContact O-N 3.38Å; L119-V122 HydrophobicContact CD1-CG1 4.31Å; L119-V122 WeakPolarHBondContact O-CG1 3.46Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-L123 HydrophobicContact CD1-CD1 4.02Å; L119-L123 HydrophobicContact CD1-CD2 4.49Å; L119-L123 HydrophobicContact CD1-CG 4.09Å; L119-L123 HydrophobicContact CG-CD1 4.03Å; L119-L123 HydrophobicContact CG-CG 4.5Å; L119-L123 VanDerWaalsContact O-CG 3.22Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 3.46Å; L119-L143 HydrophobicContact CD2-CD2 4.01Å; L119-L143 HydrophobicContact CG-CD2 4.19Å; L119-F549 HydrophobicContact CD1-CB 3.86Å; L119-F549 HydrophobicContact CD1-CD2 3.8Å; L119-F549 HydrophobicContact CD1-CG 4.32Å; L119-W550 HydrophobicContact CD2-CE3 4.23Å |
| 120 | P | 94.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 176.7 | -23.5 | 35.8 | 0 | 0 | 0 | 112.7 | G124 L143 T148 M152 M156 | P120-G124 PolarHBondContact O-N 3.3Å; P120-G124 VanDerWaalsContact O-N 3.11Å; P120-L143 HydrophobicContact CB-CD1 3.87Å; P120-L143 HydrophobicContact CG-CD1 4.11Å; P120-T148 HydrophobicContact CG-CG2 4.1Å; P120-M152 WeakPolarHBondContact CB-O 3.25Å; P120-M152 HydrophobicContact CG-CB 4.22Å; P120-M156 HydrophobicContact CB-CB 4.4Å; P120-M156 WeakPolarHBondContact O-CA 3.39Å; P120-M156 WeakPolarHBondContact O-CB 3.44Å; P120-M156 VanDerWaalsContact O-CG 3.25Å; P120-M156 WeakPolarHBondContact O-CG 3.41Å |
| 121 | V | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -51.4 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | I117 P118 L119 L123 G124 I125 Q155 S159 W466 | I117-V121 HydrophobicContact CG2-CB 4.01Å; I117-V121 HydrophobicContact CG2-CG1 3.69Å; P118-V121 HydrophobicContact CB-CB 4.25Å; P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.32Å; P118-V121 WeakPolarHBondContact O-CB 3.33Å; P118-V121 PolarHBondContact O-N 2.9Å; L119-V121 VanDerWaalsContact C-N 3.28Å; L119-V121 PolarHBondContact O-N 3.38Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 3.37Å; V121-G124 WeakPolarHBondContact O-CA 3.16Å; V121-G124 PolarHBondContact O-N 3.25Å; V121-G124 VanDerWaalsContact O-N 3.07Å; V121-I125 HydrophobicContact CG1-CD1 3.88Å; V121-I125 HydrophobicContact CG1-CG1 4.27Å; V121-I125 WeakPolarHBondContact O-CG1 3.27Å; V121-I125 PolarHBondContact O-N 3.46Å; V121-Q155 HydrophobicContact CG2-CB 4.11Å; V121-S159 PolarHBondContact O-OG 2.89Å; V121-S159 VanDerWaalsContact O-OG 3.13Å; V121-W466 HydrophobicContact CB-CZ2 4.34Å; V121-W466 HydrophobicContact CG1-CD2 3.69Å; V121-W466 HydrophobicContact CG1-CE3 4.21Å; V121-W466 HydrophobicContact CG1-CG 4.14Å; V121-W466 HydrophobicContact CG1-CH2 4.1Å; V121-W466 HydrophobicContact CG1-CZ2 3.57Å; V121-W466 HydrophobicContact CG1-CZ3 4.4Å; V121-W466 HydrophobicContact CG2-CH2 3.96Å; V121-W466 HydrophobicContact CG2-CZ2 3.76Å |
| 122 | V | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | -175.5 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | T108 H112 I117 P118 L119 G124 I125 F126 | T108-V122 HydrophobicContact CG2-CG2 3.74Å; H112-V122 HydrophobicContact CB-CB 4.44Å; H112-V122 HydrophobicContact CB-CG1 4.09Å; H112-V122 HydrophobicContact CB-CG2 4.05Å; I117-V122 HydrophobicContact CB-CB 4.22Å; I117-V122 HydrophobicContact CD1-CG2 4.35Å; I117-V122 HydrophobicContact CG2-CB 3.89Å; I117-V122 HydrophobicContact CG2-CG2 4.44Å; P118-V122 PolarHBondContact O-N 3.28Å; L119-V122 HydrophobicContact CD1-CG1 4.31Å; L119-V122 WeakPolarHBondContact O-CG1 3.46Å; L119-V122 PolarHBondContact O-N 2.97Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-I125 PolarHBondContact O-N 2.67Å; V122-F126 WeakPolarHBondContact O-CB 3.38Å; V122-F126 PolarHBondContact O-N 3.04Å |
| 123 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.2 | -34.1 | 174.7 | -63.6 | 176 | 0 | 0 | 0 | 112.1 | L119 V121 S127 L143 M156 P542 L545 A546 | L119-L123 HydrophobicContact CD1-CD1 4.02Å; L119-L123 HydrophobicContact CD1-CD2 4.49Å; L119-L123 HydrophobicContact CD1-CG 4.09Å; L119-L123 HydrophobicContact CG-CD1 4.03Å; L119-L123 HydrophobicContact CG-CG 4.5Å; L119-L123 VanDerWaalsContact O-CG 3.22Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 3.46Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 3.37Å; L123-S127 WeakPolarHBondContact O-CB 3.16Å; L123-S127 PolarHBondContact O-N 3.47Å; L123-S127 PolarHBondContact O-OG 3.16Å; L123-L143 HydrophobicContact CD1-CD1 4.19Å; L123-L143 HydrophobicContact CD1-CD2 4.13Å; L123-L143 HydrophobicContact CD1-CG 4.26Å; L123-M156 HydrophobicContact CB-CE 3.64Å; L123-M156 HydrophobicContact CB-SD 4.17Å; L123-P542 HydrophobicContact CD2-CB 4.17Å; L123-L545 HydrophobicContact CD2-CB 3.7Å; L123-L545 HydrophobicContact CD2-CD1 4.25Å; L123-A546 HydrophobicContact CD1-CB 3.74Å |
| 124 | G | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -49.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | P120 V121 V122 F126 S127 G128 M156 S159 Y160 | P120-G124 PolarHBondContact O-N 3.3Å; P120-G124 VanDerWaalsContact O-N 3.11Å; V121-G124 WeakPolarHBondContact O-CA 3.16Å; V121-G124 PolarHBondContact O-N 3.25Å; V121-G124 VanDerWaalsContact O-N 3.07Å; V122-G124 VanDerWaalsContact C-N 3.34Å; G124-F126 VanDerWaalsContact C-N 3.31Å; G124-F126 PolarHBondContact O-N 3.03Å; G124-S127 PolarHBondContact O-N 3.47Å; G124-S127 VanDerWaalsContact O-N 3.15Å; G124-G128 PolarHBondContact O-N 3.44Å; G124-M156 VanDerWaalsContact CA-O 3.32Å; G124-M156 WeakPolarHBondContact CA-O 3.34Å; G124-S159 WeakPolarHBondContact CA-OG 3.46Å; G124-Y160 WeakPolarHBondContact O-CA 3.18Å |
| 125 | I | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.7 | -49.2 | 173.7 | -61.5 | 173 | 0 | 0 | 0 | 110 | I117 V121 V122 S127 G128 A129 A163 W466 Y469 I473 | I117-I125 HydrophobicContact CG2-CD1 4.42Å; V121-I125 HydrophobicContact CG1-CD1 3.88Å; V121-I125 HydrophobicContact CG1-CG1 4.27Å; V121-I125 WeakPolarHBondContact O-CG1 3.27Å; V121-I125 PolarHBondContact O-N 3.46Å; V122-I125 PolarHBondContact O-N 2.67Å; I125-S127 PolarHBondContact O-N 3.36Å; I125-G128 PolarHBondContact O-N 2.81Å; I125-A129 WeakPolarHBondContact O-CB 3.23Å; I125-A129 PolarHBondContact O-N 2.87Å; I125-A163 HydrophobicContact CG2-CB 4.08Å; I125-A163 WeakPolarHBondContact O-CB 3.11Å; I125-W466 HydrophobicContact CD1-CB 3.74Å; I125-W466 HydrophobicContact CD1-CG 3.86Å; I125-W466 HydrophobicContact CG1-CB 4.09Å; I125-W466 HydrophobicContact CG1-CG 4.43Å; I125-Y469 HydrophobicContact CD1-CD2 4.04Å; I125-I473 HydrophobicContact CG2-CD1 3.85Å |
| 126 | F | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.1 | -51.6 | 177.3 | 168.7 | -100.4 | 0 | 0 | 0 | 111.9 | T108 V122 G124 G128 A129 V130 I473 T541 P542 | T108-F126 HydrophobicContact CG2-CB 3.81Å; T108-F126 HydrophobicContact CG2-CD2 4.37Å; T108-F126 HydrophobicContact CG2-CG 4.34Å; T108-F126 VanDerWaalsContact OG1-CD2 3.22Å; T108-F126 WeakPolarHBondContact OG1-CD2 3.35Å; V122-F126 WeakPolarHBondContact O-CB 3.38Å; V122-F126 PolarHBondContact O-N 3.04Å; G124-F126 VanDerWaalsContact C-N 3.31Å; G124-F126 PolarHBondContact O-N 3.03Å; F126-G128 VanDerWaalsContact C-N 3.26Å; F126-G128 PolarHBondContact O-N 3.49Å; F126-A129 PolarHBondContact O-N 2.92Å; F126-V130 HydrophobicContact CD2-CG1 4.35Å; F126-V130 HydrophobicContact CE1-CG2 4.33Å; F126-V130 HydrophobicContact CE2-CG1 4.24Å; F126-V130 HydrophobicContact CZ-CG2 4.32Å; F126-V130 WeakPolarHBondContact O-CG1 3.46Å; F126-V130 WeakPolarHBondContact O-CG2 3.45Å; F126-V130 PolarHBondContact O-N 3.39Å; F126-I473 HydrophobicContact CD2-CG2 4.04Å; F126-T541 HydrophobicContact CE1-CG2 3.98Å; F126-T541 HydrophobicContact CE2-CG2 4.22Å; F126-T541 HydrophobicContact CZ-CG2 3.57Å; F126-P542 HydrophobicContact CD1-CG 3.98Å; F126-P542 HydrophobicContact CE1-CG 3.84Å |
| 127 | S | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | -177 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | L123 G124 I125 T131 N132 Y160 | L123-S127 WeakPolarHBondContact O-CB 3.16Å; L123-S127 PolarHBondContact O-N 3.47Å; L123-S127 PolarHBondContact O-OG 3.16Å; G124-S127 PolarHBondContact O-N 3.47Å; G124-S127 VanDerWaalsContact O-N 3.15Å; I125-S127 PolarHBondContact O-N 3.36Å; S127-T131 PolarHBondContact O-N 3.18Å; S127-N132 PolarHBondContact O-N 3.28Å; S127-Y160 VanDerWaalsContact C-CD2 3.48Å; S127-Y160 WeakPolarHBondContact O-CE2 3.45Å |
| 128 | G | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -74.3 | -47.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G124 I125 F126 V130 T131 Y164 | G124-G128 PolarHBondContact O-N 3.44Å; I125-G128 PolarHBondContact O-N 2.81Å; F126-G128 VanDerWaalsContact C-N 3.26Å; F126-G128 PolarHBondContact O-N 3.49Å; G128-V130 PolarHBondContact O-N 3.24Å; G128-T131 PolarHBondContact O-N 2.93Å; G128-Y164 WeakPolarHBondContact O-CA 3.1Å |
| 129 | A | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.008 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -57.9 | -24.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I125 F126 A163 G167 G470 I473 T474 | I125-A129 WeakPolarHBondContact O-CB 3.23Å; I125-A129 PolarHBondContact O-N 2.87Å; F126-A129 PolarHBondContact O-N 2.92Å; A129-A163 HydrophobicContact CB-CB 4.39Å; A129-G167 WeakPolarHBondContact O-CA 3.26Å; A129-G470 WeakPolarHBondContact CB-O 3.31Å; A129-I473 HydrophobicContact CB-CB 3.86Å; A129-I473 HydrophobicContact CB-CG2 3.74Å; A129-T474 PolarHBondContact O-OG1 2.84Å |
| 130 | V | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 16.4 | -178.1 | -50.7 | 0 | 0 | 0 | 0 | 112.3 | F126 G128 N132 I473 M504 T505 R538 | F126-V130 HydrophobicContact CD2-CG1 4.35Å; F126-V130 HydrophobicContact CE1-CG2 4.33Å; F126-V130 HydrophobicContact CE2-CG1 4.24Å; F126-V130 HydrophobicContact CZ-CG2 4.32Å; F126-V130 WeakPolarHBondContact O-CG1 3.46Å; F126-V130 WeakPolarHBondContact O-CG2 3.45Å; F126-V130 PolarHBondContact O-N 3.39Å; G128-V130 PolarHBondContact O-N 3.24Å; V130-N132 HydrophobicContact CG2-CB 3.89Å; V130-N132 PolarHBondContact O-N 3.22Å; V130-I473 HydrophobicContact CG1-CG2 4.03Å; V130-M504 CarbonylContact C-O 3.42Å; V130-M504 HydrophobicContact CB-SD 3.92Å; V130-M504 HydrophobicContact CG1-SD 3.96Å; V130-T505 PolarHBondContact O-OG1 3.37Å; V130-R538 VanDerWaalsContact CB-CZ 3.46Å |
| 131 | T | 90.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 2.2 Ų | 2.2 | 8% | 0.08 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 36.3 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | S127 G128 Y164 I168 M504 | S127-T131 PolarHBondContact O-N 3.18Å; G128-T131 PolarHBondContact O-N 2.93Å; T131-Y164 HydrophobicContact CG2-CD2 4.1Å; T131-Y164 HydrophobicContact CG2-CE2 3.9Å; T131-I168 HydrophobicContact CG2-CG1 3.84Å; T131-M504 PolarHBondContact OG1-O 3.42Å |
| 132 | N | 90.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 2.4 Ų | 2.4 | 1% | 0.005 | 1% | 0.014 | C | C | . | . | trans | -112.7 | 86.2 | -173.1 | -161 | -60.1 | 0 | 0 | 0 | 110.8 | S127 V130 P134 A135 L136 T505 R538 | S127-N132 PolarHBondContact O-N 3.28Å; V130-N132 HydrophobicContact CG2-CB 3.89Å; V130-N132 PolarHBondContact O-N 3.22Å; N132-P134 VanDerWaalsContact C-CD 3.46Å; N132-P134 VanDerWaalsContact OD1-CD 3.24Å; N132-P134 WeakPolarHBondContact OD1-CD 3.17Å; N132-A135 HydrophobicContact CB-CB 3.84Å; N132-A135 VanDerWaalsContact O-CB 3.31Å; N132-A135 WeakPolarHBondContact O-CB 3.49Å; N132-A135 PolarHBondContact O-N 2.93Å; N132-A135 VanDerWaalsContact O-N 3.12Å; N132-A135 VanDerWaalsContact OD1-CB 3.28Å; N132-A135 WeakPolarHBondContact OD1-CB 3.08Å; N132-A135 PolarHBondContact OD1-N 3.35Å; N132-L136 PolarHBondContact O-N 3.27Å; N132-T505 PolarHBondContact ND2-OG1 3.45Å; N132-T505 VanDerWaalsContact ND2-OG1 3.09Å; N132-R538 VanDerWaalsContact ND2-CB 3.34Å; N132-R538 WeakPolarHBondContact ND2-CB 3.35Å | ||
| 133 | T | 87.6 | Confident | 91.5 | Very high | 8 Ų | 8 | 2.4 Ų | 2.4 | 5% | 0.049 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -57.4 | -39.3 | 175.4 | -42.9 | 0 | 0 | 0 | 0 | 113.8 | F70 A135 L136 G137 Y160 I439 F442 L443 | F70-T133 HydrophobicContact CE1-CG2 4.37Å; T133-A135 VanDerWaalsContact C-N 3.28Å; T133-A135 PolarHBondContact O-N 3.44Å; T133-L136 WeakPolarHBondContact O-CB 3.35Å; T133-L136 PolarHBondContact O-N 3.43Å; T133-L136 VanDerWaalsContact O-N 3.17Å; T133-G137 PolarHBondContact O-N 2.9Å; T133-Y160 PolarHBondContact OG1-OH 2.95Å; T133-Y160 VanDerWaalsContact OG1-OH 3.05Å; T133-I439 HydrophobicContact CG2-CD1 4.03Å; T133-I439 HydrophobicContact CG2-CG1 4.23Å; T133-F442 HydrophobicContact CG2-CD1 3.63Å; T133-F442 HydrophobicContact CG2-CE1 3.51Å; T133-L443 HydrophobicContact CG2-CD2 3.65Å; T133-L443 HydrophobicContact CG2-CG 4.12Å |
| 134 | P | 84.5 | Confident | 91 | Very high | 4 Ų | 4 | 4.6 Ų | 4.6 | 3% | 0.026 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -57.3 | -39.4 | 172.9 | -26.3 | 34.5 | 0 | 0 | 0 | 113.6 | F70 V71 I74 N132 L136 G137 A138 I539 | F70-P134 HydrophobicContact CD1-CG 4.26Å; F70-P134 HydrophobicContact CE1-CB 4.34Å; F70-P134 VanDerWaalsContact CE1-CD 3.45Å; F70-P134 HydrophobicContact CE1-CG 3.36Å; F70-P134 HydrophobicContact CZ-CG 3.81Å; V71-P134 HydrophobicContact CG2-CB 4.1Å; I74-P134 HydrophobicContact CD1-CG 3.95Å; N132-P134 VanDerWaalsContact C-CD 3.46Å; N132-P134 VanDerWaalsContact OD1-CD 3.24Å; N132-P134 WeakPolarHBondContact OD1-CD 3.17Å; P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 2.95Å; P134-G137 PolarHBondContact O-N 3.42Å; P134-A138 WeakPolarHBondContact O-CB 3.29Å; P134-A138 PolarHBondContact O-N 3.48Å; P134-I539 HydrophobicContact CB-CD1 3.43Å; P134-I539 VanDerWaalsContact CB-CD1 3.43Å; P134-I539 HydrophobicContact CB-CG1 3.48Å; P134-I539 VanDerWaalsContact CB-CG1 3.48Å; P134-I539 HydrophobicContact CG-CD1 4.26Å |
| 135 | A | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N132 T133 A138 G139 R538 P542 | N132-A135 HydrophobicContact CB-CB 3.84Å; N132-A135 VanDerWaalsContact O-CB 3.31Å; N132-A135 WeakPolarHBondContact O-CB 3.49Å; N132-A135 PolarHBondContact O-N 2.93Å; N132-A135 VanDerWaalsContact O-N 3.12Å; N132-A135 VanDerWaalsContact OD1-CB 3.28Å; N132-A135 WeakPolarHBondContact OD1-CB 3.08Å; N132-A135 PolarHBondContact OD1-N 3.35Å; T133-A135 VanDerWaalsContact C-N 3.28Å; T133-A135 PolarHBondContact O-N 3.44Å; A135-A138 PolarHBondContact O-N 2.75Å; A135-G139 PolarHBondContact O-N 3.33Å; A135-R538 VanDerWaalsContact CB-O 3.29Å; A135-R538 WeakPolarHBondContact CB-O 3.19Å; A135-P542 HydrophobicContact CB-CG 3.79Å |
| 136 | L | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.9 | -52.8 | 172 | 173.8 | 64.2 | 0 | 0 | 0 | 111.1 | N132 T133 P134 A138 G139 Q140 M156 Y160 F442 V446 | N132-L136 PolarHBondContact O-N 3.27Å; T133-L136 WeakPolarHBondContact O-CB 3.35Å; T133-L136 PolarHBondContact O-N 3.43Å; T133-L136 VanDerWaalsContact O-N 3.17Å; P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 2.95Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.83Å; L136-G139 PolarHBondContact O-N 3.38Å; L136-Q140 HydrophobicContact CD1-CG 4.12Å; L136-Q140 WeakPolarHBondContact O-CG 3.2Å; L136-Q140 PolarHBondContact O-N 3.21Å; L136-M156 HydrophobicContact CD1-CB 4.34Å; L136-M156 HydrophobicContact CD1-CE 3.86Å; L136-M156 HydrophobicContact CD1-CG 3.62Å; L136-M156 HydrophobicContact CD1-SD 4.06Å; L136-Y160 HydrophobicContact CB-CD2 4.04Å; L136-Y160 HydrophobicContact CB-CE2 4.3Å; L136-Y160 HydrophobicContact CD1-CD2 4.49Å; L136-Y160 HydrophobicContact CD1-CG 4.33Å; L136-Y160 HydrophobicContact CD2-CD1 3.7Å; L136-Y160 HydrophobicContact CD2-CD2 3.97Å; L136-Y160 HydrophobicContact CD2-CE1 4.09Å; L136-Y160 HydrophobicContact CD2-CE2 4.36Å; L136-Y160 HydrophobicContact CD2-CG 3.66Å; L136-Y160 HydrophobicContact CG-CD2 4.39Å; L136-Y160 HydrophobicContact CG-CG 4.39Å; L136-F442 HydrophobicContact CD2-CE1 4.05Å; L136-F442 HydrophobicContact CD2-CZ 4.2Å; L136-F442 HydrophobicContact CG-CE1 4.43Å; L136-F442 HydrophobicContact CG-CZ 4.2Å; L136-V446 HydrophobicContact CD2-CG1 3.92Å; L136-V446 HydrophobicContact CD2-CG2 4.47Å |
| 137 | G | 88.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T133 P134 G139 Q140 Q141 | T133-G137 PolarHBondContact O-N 2.9Å; P134-G137 PolarHBondContact O-N 3.42Å; G137-G139 VanDerWaalsContact C-N 3.34Å; G137-G139 PolarHBondContact O-N 2.98Å; G137-Q140 PolarHBondContact O-N 2.93Å; G137-Q141 WeakPolarHBondContact O-CB 3.19Å; G137-Q141 PolarHBondContact O-N 3.34Å |
| 138 | A | 87 | Confident | 88.8 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P134 A135 L136 I142 A403 I539 Q543 | P134-A138 WeakPolarHBondContact O-CB 3.29Å; P134-A138 PolarHBondContact O-N 3.48Å; A135-A138 PolarHBondContact O-N 2.75Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.83Å; A138-I142 PolarHBondContact O-N 3.47Å; A138-I142 VanDerWaalsContact O-N 3.13Å; A138-A403 HydrophobicContact CB-CB 3.75Å; A138-I539 HydrophobicContact CB-CG2 3.94Å; A138-Q543 HydrophobicContact CB-CG 4.34Å |
| 139 | G | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A135 L136 G137 Q141 I142 L143 M156 | A135-G139 PolarHBondContact O-N 3.33Å; L136-G139 PolarHBondContact O-N 3.38Å; G137-G139 VanDerWaalsContact C-N 3.34Å; G137-G139 PolarHBondContact O-N 2.98Å; G139-Q141 VanDerWaalsContact C-N 3.25Å; G139-Q141 PolarHBondContact O-N 3.46Å; G139-I142 WeakPolarHBondContact O-CG2 3.47Å; G139-I142 PolarHBondContact O-N 3.16Å; G139-L143 VanDerWaalsContact O-CG 3.27Å; G139-L143 WeakPolarHBondContact O-CG 3.38Å; G139-L143 PolarHBondContact O-N 3.49Å; G139-L143 VanDerWaalsContact O-N 3.13Å; G139-M156 VanDerWaalsContact C-SD 3.52Å |
| 140 | Q | 91.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.8 | -72.9 | -177.1 | -44.6 | 0 | 0 | 111.1 | L136 G137 R144 V153 M156 | L136-Q140 HydrophobicContact CD1-CG 4.12Å; L136-Q140 WeakPolarHBondContact O-CG 3.2Å; L136-Q140 PolarHBondContact O-N 3.21Å; G137-Q140 PolarHBondContact O-N 2.93Å; Q140-R144 WeakPolarHBondContact O-CG 3.41Å; Q140-R144 PolarHBondContact O-N 3.41Å; Q140-V153 HydrophobicContact CB-CG1 3.78Å; Q140-V153 HydrophobicContact CG-CG1 3.85Å; Q140-M156 HydrophobicContact CB-SD 4.48Å; Q140-M156 HydrophobicContact CG-CB 4.3Å; Q140-M156 HydrophobicContact CG-CG 4.37Å; Q140-M156 HydrophobicContact CG-SD 3.75Å; Q140-M156 PolarHBondContact N-SD 3.4Å; Q140-M156 VanDerWaalsContact N-SD 3.42Å |
| 141 | Q | 85.5 | Confident | 87.2 | Confident | 17 Ų | 17 | 26.5 Ų | 26.5 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -50.1 | 178.7 | -179.9 | 158.2 | 19.1 | 0 | 0 | 113.2 | G137 G139 L143 R144 D145 | G137-Q141 WeakPolarHBondContact O-CB 3.19Å; G137-Q141 PolarHBondContact O-N 3.34Å; G139-Q141 VanDerWaalsContact C-N 3.25Å; G139-Q141 PolarHBondContact O-N 3.46Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.29Å; Q141-R144 WeakPolarHBondContact O-CB 3.46Å; Q141-R144 PolarHBondContact O-N 3.29Å; Q141-R144 VanDerWaalsContact O-N 3.16Å; Q141-D145 PolarHBondContact O-N 3.34Å |
| 142 | I | 86 | Confident | 87.1 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -35.6 | -179.5 | -171.5 | 60.4 | 0 | 0 | 0 | 111.6 | A138 G139 R144 D145 L146 L398 Q543 A546 V547 | A138-I142 PolarHBondContact O-N 3.47Å; A138-I142 VanDerWaalsContact O-N 3.13Å; G139-I142 WeakPolarHBondContact O-CG2 3.47Å; G139-I142 PolarHBondContact O-N 3.16Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.17Å; I142-D145 PolarHBondContact O-N 3.35Å; I142-L146 HydrophobicContact CD1-CG 4.49Å; I142-L146 HydrophobicContact CG1-CD1 4.14Å; I142-L146 HydrophobicContact CG1-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CB 3.44Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.07Å; I142-L398 HydrophobicContact CD1-CD2 4.22Å; I142-Q543 HydrophobicContact CB-CG 4.27Å; I142-Q543 HydrophobicContact CG2-CG 4.27Å; I142-A546 HydrophobicContact CG1-CB 4.3Å; I142-A546 HydrophobicContact CG2-CB 3.73Å; I142-V547 HydrophobicContact CD1-CG2 4.03Å; I142-V547 HydrophobicContact CG1-CG2 3.94Å |
| 143 | L | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.3 | -71.7 | 171.8 | 0 | 0 | 0 | 111.6 | L119 P120 L123 G139 Q141 L146 G147 T148 V153 M156 A546 | L119-L143 HydrophobicContact CD2-CD2 4.01Å; L119-L143 HydrophobicContact CG-CD2 4.19Å; P120-L143 HydrophobicContact CB-CD1 3.87Å; P120-L143 HydrophobicContact CG-CD1 4.11Å; L123-L143 HydrophobicContact CD1-CD1 4.19Å; L123-L143 HydrophobicContact CD1-CD2 4.13Å; L123-L143 HydrophobicContact CD1-CG 4.26Å; G139-L143 VanDerWaalsContact O-CG 3.27Å; G139-L143 WeakPolarHBondContact O-CG 3.38Å; G139-L143 PolarHBondContact O-N 3.49Å; G139-L143 VanDerWaalsContact O-N 3.13Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.29Å; L143-L146 PolarHBondContact O-N 3.06Å; L143-G147 PolarHBondContact O-N 2.99Å; L143-T148 WeakPolarHBondContact O-CB 3.25Å; L143-T148 PolarHBondContact O-N 3.3Å; L143-T148 PolarHBondContact O-OG1 2.99Å; L143-V153 HydrophobicContact CB-CG2 3.96Å; L143-M156 HydrophobicContact CD1-SD 3.83Å; L143-A546 HydrophobicContact CD2-CB 4.46Å |
| 144 | R | 86.2 | Confident | 87 | Confident | 46 Ų | 46 | 31.9 Ų | 31.9 | 17% | 0.174 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 173.6 | -69.6 | -178.5 | -57.7 | -123.7 | 5.3 | 111.9 | E64 Q140 Q141 I142 L146 G147 M150 V153 | E64-R144 IonicContact OE1-CZ 2.81Å; E64-R144 VanDerWaalsContact OE1-CZ 3.26Å; E64-R144 IonicContact OE1-NH1 3.24Å; E64-R144 PolarHBondContact OE1-NH1 3.45Å; E64-R144 VanDerWaalsContact OE1-NH1 3.17Å; E64-R144 IonicContact OE1-NH2 3.26Å; E64-R144 PolarHBondContact OE1-NH2 3.2Å; E64-R144 IonicContact OE2-NH2 3.83Å; E64-R144 PolarHBondContact OE2-NH2 2.7Å; Q140-R144 WeakPolarHBondContact O-CG 3.41Å; Q140-R144 PolarHBondContact O-N 3.41Å; Q141-R144 WeakPolarHBondContact O-CB 3.46Å; Q141-R144 PolarHBondContact O-N 3.29Å; Q141-R144 VanDerWaalsContact O-N 3.16Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.17Å; R144-L146 PolarHBondContact O-N 2.69Å; R144-G147 PolarHBondContact O-N 3.29Å; R144-M150 HydrophobicContact CG-SD 4.05Å; R144-V153 HydrophobicContact CG-CG1 4.33Å; R144-V153 HydrophobicContact CG-CG2 4.05Å |
| 145 | D | 81.6 | Confident | 87.3 | Confident | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -31.5 | 177.9 | -72.6 | -22.2 | 0 | 0 | 0 | 112 | Q141 I142 G147 | Q141-D145 PolarHBondContact O-N 3.34Å; I142-D145 PolarHBondContact O-N 3.35Å; D145-G147 PolarHBondContact O-N 3.07Å |
| 146 | L | 84.1 | Confident | 87.5 | Confident | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -5.8 | 172.4 | -68.5 | 171.5 | 0 | 0 | 0 | 113.6 | I142 L143 R144 A396 A546 W550 | I142-L146 HydrophobicContact CD1-CG 4.49Å; I142-L146 HydrophobicContact CG1-CD1 4.14Å; I142-L146 HydrophobicContact CG1-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CB 3.44Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.07Å; L143-L146 PolarHBondContact O-N 3.06Å; R144-L146 PolarHBondContact O-N 2.69Å; L146-A396 HydrophobicContact CD2-CB 4.09Å; L146-A546 HydrophobicContact CD1-CB 4.27Å; L146-W550 HydrophobicContact CB-CD2 4.15Å; L146-W550 HydrophobicContact CB-CE3 4.46Å; L146-W550 HydrophobicContact CB-CZ2 4.44Å; L146-W550 HydrophobicContact CD1-CB 3.98Å; L146-W550 HydrophobicContact CD1-CD2 4.18Å; L146-W550 HydrophobicContact CD1-CE3 4.46Å; L146-W550 HydrophobicContact CD1-CG 3.96Å; L146-W550 HydrophobicContact CD2-CG 4.18Å; L146-W550 HydrophobicContact CG-CG 4.46Å; L146-W550 VanDerWaalsContact O-CZ2 3.28Å; L146-W550 WeakPolarHBondContact O-CZ2 3.14Å |
| 147 | G | 84.2 | Confident | 87.5 | Confident | 59 Ų | 59 | 35 Ų | 35 | 61% | 0.608 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 18.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L143 R144 D145 | L143-G147 PolarHBondContact O-N 2.99Å; R144-G147 PolarHBondContact O-N 3.29Å; D145-G147 PolarHBondContact O-N 3.07Å |
| 148 | T | 88 | Confident | 87.7 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -65 | 131 | 174.2 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | P120 L143 M152 V153 W550 | P120-T148 HydrophobicContact CG-CG2 4.1Å; L143-T148 WeakPolarHBondContact O-CB 3.25Å; L143-T148 PolarHBondContact O-N 3.3Å; L143-T148 PolarHBondContact O-OG1 2.99Å; T148-M152 HydrophobicContact CG2-CB 3.79Å; T148-M152 HydrophobicContact CG2-SD 4.47Å; T148-V153 HydrophobicContact CG2-CG2 3.99Å; T148-W550 WeakPolarHBondContact OG1-CZ3 3.28Å | ||
| 149 | P | 87.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 35.6 Ų | 35.6 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | trans | -55.1 | 141.4 | 177.5 | -25.9 | 34.2 | 0 | 0 | 0 | 112.6 | E151 M152 V153 | P149-E151 VanDerWaalsContact C-N 3.28Å; P149-E151 PolarHBondContact O-N 3.47Å; P149-M152 HydrophobicContact CG-SD 4.34Å; P149-M152 WeakPolarHBondContact O-CB 3.25Å; P149-M152 PolarHBondContact O-N 3.18Å; P149-V153 PolarHBondContact O-N 2.88Å; P149-V153 VanDerWaalsContact O-N 3.12Å | ||
| 150 | M | 82.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.7 | -37.9 | -176.1 | -94.7 | -59.6 | -52.5 | 0 | 0 | 113.6 | R144 M152 V153 D154 | R144-M150 HydrophobicContact CG-SD 4.05Å; M150-M152 VanDerWaalsContact C-N 3.27Å; M150-M152 PolarHBondContact O-N 3.45Å; M150-V153 WeakPolarHBondContact O-CB 3.41Å; M150-V153 PolarHBondContact O-N 3.13Å; M150-V153 VanDerWaalsContact O-N 3.08Å; M150-V153 HydrophobicContact SD-CB 4.45Å; M150-D154 WeakPolarHBondContact CE-OD1 3.43Å; M150-D154 PolarHBondContact O-N 3.3Å |
| 151 | E | 81.8 | Confident | 88.3 | Confident | 165 Ų | 165 | 35.5 Ų | 35.5 | 77% | 0.771 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.2 | -37.8 | 177.1 | -67.2 | 178.5 | 176.3 | 0 | 0 | 112.1 | P149 D154 | P149-E151 VanDerWaalsContact C-N 3.28Å; P149-E151 PolarHBondContact O-N 3.47Å; E151-D154 PolarHBondContact O-N 3.42Å |
| 152 | M | 87.8 | Confident | 88.7 | Confident | 97 Ų | 97 | 34.9 Ų | 34.9 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.8 | -34 | 175.1 | -70 | -175.2 | 175.9 | 0 | 0 | 111.8 | P120 T148 P149 M150 D154 Q155 | P120-M152 WeakPolarHBondContact CB-O 3.25Å; P120-M152 HydrophobicContact CG-CB 4.22Å; T148-M152 HydrophobicContact CG2-CB 3.79Å; T148-M152 HydrophobicContact CG2-SD 4.47Å; P149-M152 HydrophobicContact CG-SD 4.34Å; P149-M152 WeakPolarHBondContact O-CB 3.25Å; P149-M152 PolarHBondContact O-N 3.18Å; M150-M152 VanDerWaalsContact C-N 3.27Å; M150-M152 PolarHBondContact O-N 3.45Å; M152-D154 VanDerWaalsContact C-N 3.28Å; M152-D154 PolarHBondContact O-N 2.98Å; M152-Q155 WeakPolarHBondContact O-CB 3.32Å; M152-Q155 PolarHBondContact O-N 3.22Å |
| 153 | V | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -33.6 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | Q140 L143 R144 T148 P149 M150 Q155 M156 | Q140-V153 HydrophobicContact CB-CG1 3.78Å; Q140-V153 HydrophobicContact CG-CG1 3.85Å; L143-V153 HydrophobicContact CB-CG2 3.96Å; R144-V153 HydrophobicContact CG-CG1 4.33Å; R144-V153 HydrophobicContact CG-CG2 4.05Å; T148-V153 HydrophobicContact CG2-CG2 3.99Å; P149-V153 PolarHBondContact O-N 2.88Å; P149-V153 VanDerWaalsContact O-N 3.12Å; M150-V153 WeakPolarHBondContact O-CB 3.41Å; M150-V153 PolarHBondContact O-N 3.13Å; M150-V153 VanDerWaalsContact O-N 3.08Å; M150-V153 HydrophobicContact SD-CB 4.45Å; V153-Q155 VanDerWaalsContact C-N 3.27Å; V153-Q155 PolarHBondContact O-N 2.87Å; V153-M156 WeakPolarHBondContact O-CB 3.47Å; V153-M156 PolarHBondContact O-N 2.74Å; V153-M156 VanDerWaalsContact O-N 3.1Å |
| 154 | D | 86.7 | Confident | 89.1 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -27.2 | 177.4 | -71.3 | -16.5 | 0 | 0 | 0 | 112.2 | M150 E151 M152 M156 G157 M158 K449 | M150-D154 WeakPolarHBondContact CE-OD1 3.43Å; M150-D154 PolarHBondContact O-N 3.3Å; E151-D154 PolarHBondContact O-N 3.42Å; M152-D154 VanDerWaalsContact C-N 3.28Å; M152-D154 PolarHBondContact O-N 2.98Å; D154-M156 PolarHBondContact O-N 3.23Å; D154-G157 PolarHBondContact O-N 3Å; D154-M158 PolarHBondContact O-N 2.97Å; D154-K449 WeakPolarHBondContact OD1-CD 3.22Å; D154-K449 IonicContact OD1-NZ 2.67Å |
| 155 | Q | 91.5 | Very high | 89.1 | Confident | 70 Ų | 70 | 35.5 Ų | 35.5 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.2 | -27 | 170.9 | -60.6 | -178.3 | -16.5 | 0 | 0 | 112.8 | V121 M152 V153 G157 M158 S159 | V121-Q155 HydrophobicContact CG2-CB 4.11Å; M152-Q155 WeakPolarHBondContact O-CB 3.32Å; M152-Q155 PolarHBondContact O-N 3.22Å; V153-Q155 VanDerWaalsContact C-N 3.27Å; V153-Q155 PolarHBondContact O-N 2.87Å; Q155-G157 VanDerWaalsContact C-N 3.32Å; Q155-M158 PolarHBondContact O-N 3.35Å; Q155-S159 WeakPolarHBondContact O-CB 3.41Å; Q155-S159 PolarHBondContact O-N 2.76Å; Q155-S159 PolarHBondContact O-OG 3.04Å |
| 156 | M | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 174.2 | -167.9 | 179.5 | 173.3 | 0 | 0 | 111.3 | P120 L123 G124 L136 G139 Q140 L143 V153 D154 S159 Y160 | P120-M156 HydrophobicContact CB-CB 4.4Å; P120-M156 WeakPolarHBondContact O-CA 3.39Å; P120-M156 WeakPolarHBondContact O-CB 3.44Å; P120-M156 VanDerWaalsContact O-CG 3.25Å; P120-M156 WeakPolarHBondContact O-CG 3.41Å; L123-M156 HydrophobicContact CB-CE 3.64Å; L123-M156 HydrophobicContact CB-SD 4.17Å; G124-M156 VanDerWaalsContact CA-O 3.32Å; G124-M156 WeakPolarHBondContact CA-O 3.34Å; L136-M156 HydrophobicContact CD1-CB 4.34Å; L136-M156 HydrophobicContact CD1-CE 3.86Å; L136-M156 HydrophobicContact CD1-CG 3.62Å; L136-M156 HydrophobicContact CD1-SD 4.06Å; G139-M156 VanDerWaalsContact C-SD 3.52Å; Q140-M156 HydrophobicContact CB-SD 4.48Å; Q140-M156 HydrophobicContact CG-CB 4.3Å; Q140-M156 HydrophobicContact CG-CG 4.37Å; Q140-M156 HydrophobicContact CG-SD 3.75Å; Q140-M156 PolarHBondContact N-SD 3.4Å; Q140-M156 VanDerWaalsContact N-SD 3.42Å; L143-M156 HydrophobicContact CD1-SD 3.83Å; V153-M156 WeakPolarHBondContact O-CB 3.47Å; V153-M156 PolarHBondContact O-N 2.74Å; V153-M156 VanDerWaalsContact O-N 3.1Å; D154-M156 PolarHBondContact O-N 3.23Å; M156-S159 WeakPolarHBondContact CA-OG 3.39Å; M156-S159 PolarHBondContact O-OG 2.97Å; M156-Y160 WeakPolarHBondContact O-CB 3.27Å; M156-Y160 PolarHBondContact O-N 3.38Å |
| 157 | G | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D154 Q155 Y160 A161 S450 | D154-G157 PolarHBondContact O-N 3Å; Q155-G157 VanDerWaalsContact C-N 3.32Å; G157-Y160 WeakPolarHBondContact O-CB 3.25Å; G157-A161 PolarHBondContact O-N 3.46Å; G157-A161 VanDerWaalsContact O-N 3.08Å; G157-S450 VanDerWaalsContact C-OG 3.26Å |
| 158 | M | 92.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -48.8 | -179.9 | -165.3 | -167.7 | -43.9 | 0 | 0 | 112 | D154 Q155 Y160 A161 M162 S450 D453 F454 T457 W466 | D154-M158 PolarHBondContact O-N 2.97Å; Q155-M158 PolarHBondContact O-N 3.35Å; M158-Y160 VanDerWaalsContact C-N 3.34Å; M158-Y160 PolarHBondContact O-N 3.24Å; M158-A161 WeakPolarHBondContact O-CB 3.49Å; M158-A161 PolarHBondContact O-N 3.49Å; M158-A161 VanDerWaalsContact O-N 3.12Å; M158-M162 HydrophobicContact CG-CE 4.11Å; M158-M162 WeakPolarHBondContact O-CG 3.45Å; M158-M162 PolarHBondContact O-N 2.79Å; M158-M162 VanDerWaalsContact O-N 3.1Å; M158-M162 HydrophobicContact SD-CE 4.26Å; M158-S450 PolarHBondContact N-OG 3.12Å; M158-D453 HydrophobicContact CE-CB 3.66Å; M158-D453 HydrophobicContact SD-CB 4.25Å; M158-F454 HydrophobicContact CG-CB 4.5Å; M158-F454 HydrophobicContact CG-CD2 3.94Å; M158-T457 HydrophobicContact SD-CG2 3.93Å; M158-T457 PolarHBondContact SD-OG1 2.83Å; M158-W466 HydrophobicContact SD-CZ3 4.31Å |
| 159 | S | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 177.7 | 54 | 0 | 0 | 0 | 0 | 112.8 | V121 G124 Q155 M156 A161 M162 A163 | V121-S159 PolarHBondContact O-OG 2.89Å; V121-S159 VanDerWaalsContact O-OG 3.13Å; G124-S159 WeakPolarHBondContact CA-OG 3.46Å; Q155-S159 WeakPolarHBondContact O-CB 3.41Å; Q155-S159 PolarHBondContact O-N 2.76Å; Q155-S159 PolarHBondContact O-OG 3.04Å; M156-S159 WeakPolarHBondContact CA-OG 3.39Å; M156-S159 PolarHBondContact O-OG 2.97Å; S159-A161 PolarHBondContact O-N 2.87Å; S159-M162 PolarHBondContact O-N 2.79Å; S159-A163 PolarHBondContact O-N 3.37Å; S159-A163 VanDerWaalsContact O-N 3.09Å |
| 160 | Y | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 167.6 | 168.3 | -91.4 | 0 | 0 | 0 | 111.9 | L37 G124 S127 T133 L136 M156 G157 M158 M162 A163 Y164 L443 | L37-Y160 HydrophobicContact CD1-CD1 4.2Å; L37-Y160 HydrophobicContact CD1-CE1 4.26Å; L37-Y160 HydrophobicContact CD2-CD1 3.65Å; L37-Y160 HydrophobicContact CD2-CE1 3.46Å; L37-Y160 VanDerWaalsContact CD2-CE1 3.46Å; L37-Y160 HydrophobicContact CG-CE1 4.43Å; G124-Y160 WeakPolarHBondContact O-CA 3.18Å; S127-Y160 VanDerWaalsContact C-CD2 3.48Å; S127-Y160 WeakPolarHBondContact O-CE2 3.45Å; T133-Y160 PolarHBondContact OG1-OH 2.95Å; T133-Y160 VanDerWaalsContact OG1-OH 3.05Å; L136-Y160 HydrophobicContact CB-CD2 4.04Å; L136-Y160 HydrophobicContact CB-CE2 4.3Å; L136-Y160 HydrophobicContact CD1-CD2 4.49Å; L136-Y160 HydrophobicContact CD1-CG 4.33Å; L136-Y160 HydrophobicContact CD2-CD1 3.7Å; L136-Y160 HydrophobicContact CD2-CD2 3.97Å; L136-Y160 HydrophobicContact CD2-CE1 4.09Å; L136-Y160 HydrophobicContact CD2-CE2 4.36Å; L136-Y160 HydrophobicContact CD2-CG 3.66Å; L136-Y160 HydrophobicContact CG-CD2 4.39Å; L136-Y160 HydrophobicContact CG-CG 4.39Å; M156-Y160 WeakPolarHBondContact O-CB 3.27Å; M156-Y160 PolarHBondContact O-N 3.38Å; G157-Y160 WeakPolarHBondContact O-CB 3.25Å; M158-Y160 VanDerWaalsContact C-N 3.34Å; M158-Y160 PolarHBondContact O-N 3.24Å; Y160-M162 VanDerWaalsContact C-N 3.3Å; Y160-M162 PolarHBondContact O-N 3.47Å; Y160-A163 PolarHBondContact O-N 3.49Å; Y160-Y164 HydrophobicContact CE1-CD2 4.18Å; Y160-Y164 HydrophobicContact CE2-CD2 4.17Å; Y160-Y164 AromaticContact CZ-CD2 3.62Å; Y160-Y164 WeakPolarHBondContact O-CB 3.41Å; Y160-Y164 PolarHBondContact O-N 3.5Å; Y160-Y164 VanDerWaalsContact OH-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact OH-CD2 3.5Å; Y160-Y164 VanDerWaalsContact OH-CE2 3.24Å; Y160-Y164 WeakPolarHBondContact OH-CE2 3.31Å; Y160-L443 HydrophobicContact CE1-CD2 4.36Å |
| 161 | A | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L37 I41 G157 M158 S159 P165 F454 | L37-A161 HydrophobicContact CD1-CB 4.28Å; L37-A161 HydrophobicContact CD2-CB 3.47Å; L37-A161 VanDerWaalsContact CD2-CB 3.47Å; L37-A161 HydrophobicContact CG-CB 3.94Å; I41-A161 HydrophobicContact CD1-CB 3.44Å; I41-A161 VanDerWaalsContact CD1-CB 3.44Å; G157-A161 PolarHBondContact O-N 3.46Å; G157-A161 VanDerWaalsContact O-N 3.08Å; M158-A161 WeakPolarHBondContact O-CB 3.49Å; M158-A161 PolarHBondContact O-N 3.49Å; M158-A161 VanDerWaalsContact O-N 3.12Å; S159-A161 PolarHBondContact O-N 2.87Å; A161-P165 VanDerWaalsContact O-CD 3.29Å; A161-P165 WeakPolarHBondContact O-CD 3.24Å; A161-F454 HydrophobicContact CB-CD2 4.41Å; A161-F454 HydrophobicContact CB-CE2 3.83Å |
| 162 | M | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.02 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | 176.2 | -66.4 | -172 | -178.8 | 0 | 0 | 112.3 | M158 S159 Y160 F454 T457 L458 G463 W466 I467 | M158-M162 HydrophobicContact CG-CE 4.11Å; M158-M162 WeakPolarHBondContact O-CG 3.45Å; M158-M162 PolarHBondContact O-N 2.79Å; M158-M162 VanDerWaalsContact O-N 3.1Å; M158-M162 HydrophobicContact SD-CE 4.26Å; S159-M162 PolarHBondContact O-N 2.79Å; Y160-M162 VanDerWaalsContact C-N 3.3Å; Y160-M162 PolarHBondContact O-N 3.47Å; M162-F454 HydrophobicContact CE-CD2 3.94Å; M162-F454 HydrophobicContact CE-CE2 3.98Å; M162-F454 HydrophobicContact CE-CG 4.42Å; M162-F454 HydrophobicContact CE-CZ 4.5Å; M162-F454 HydrophobicContact CG-CD2 4.29Å; M162-F454 HydrophobicContact CG-CE2 3.5Å; M162-F454 VanDerWaalsContact CG-CE2 3.5Å; M162-F454 HydrophobicContact CG-CZ 3.97Å; M162-T457 HydrophobicContact CE-CG2 3.57Å; M162-T457 HydrophobicContact SD-CG2 4.3Å; M162-L458 HydrophobicContact CE-CB 4.13Å; M162-G463 WeakPolarHBondContact SD-CA 3.4Å; M162-W466 HydrophobicContact CE-CE3 4.4Å; M162-W466 HydrophobicContact CE-CZ3 4.39Å; M162-W466 HydrophobicContact SD-CD2 4.32Å; M162-W466 HydrophobicContact SD-CE3 3.45Å; M162-W466 HydrophobicContact SD-CZ3 4Å; M162-I467 HydrophobicContact CB-CG1 4.19Å |
| 163 | A | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.6 | -25.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I125 A129 S159 Y160 F166 G167 | I125-A163 HydrophobicContact CG2-CB 4.08Å; I125-A163 WeakPolarHBondContact O-CB 3.11Å; A129-A163 HydrophobicContact CB-CB 4.39Å; S159-A163 PolarHBondContact O-N 3.37Å; S159-A163 VanDerWaalsContact O-N 3.09Å; Y160-A163 PolarHBondContact O-N 3.49Å; A163-F166 PolarHBondContact O-N 3.17Å; A163-F166 VanDerWaalsContact O-N 3.14Å; A163-G167 PolarHBondContact O-N 2.88Å |
| 164 | Y | 90.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | -171.8 | -172.6 | -94.8 | 0 | 0 | 0 | 115.4 | F38 G128 T131 Y160 F166 G167 I168 | F38-Y164 HydrophobicContact CE2-CD1 4.06Å; F38-Y164 HydrophobicContact CZ-CD1 4.39Å; G128-Y164 WeakPolarHBondContact O-CA 3.1Å; T131-Y164 HydrophobicContact CG2-CD2 4.1Å; T131-Y164 HydrophobicContact CG2-CE2 3.9Å; Y160-Y164 HydrophobicContact CE1-CD2 4.18Å; Y160-Y164 HydrophobicContact CE2-CD2 4.17Å; Y160-Y164 AromaticContact CZ-CD2 3.62Å; Y160-Y164 WeakPolarHBondContact O-CB 3.41Å; Y160-Y164 PolarHBondContact O-N 3.5Å; Y160-Y164 VanDerWaalsContact OH-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact OH-CD2 3.5Å; Y160-Y164 VanDerWaalsContact OH-CE2 3.24Å; Y160-Y164 WeakPolarHBondContact OH-CE2 3.31Å; Y164-F166 PolarHBondContact O-N 3.5Å; Y164-G167 PolarHBondContact O-N 2.89Å; Y164-G167 VanDerWaalsContact O-N 3.11Å; Y164-I168 HydrophobicContact CD1-CD1 4.13Å; Y164-I168 HydrophobicContact CE1-CD1 3.5Å; Y164-I168 HydrophobicContact CE1-CG1 4.36Å; Y164-I168 PolarHBondContact O-N 3.43Å |
| 165 | P | 86.7 | Confident | 91.8 | Very high | 41 Ų | 41 | 22.4 Ų | 22.4 | 27% | 0.266 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -60.4 | -36 | 177.6 | -24.4 | 35.5 | 0 | 0 | 0 | 112.9 | F38 A161 G167 I168 C169 | F38-P165 HydrophobicContact CE1-CG 4.21Å; F38-P165 HydrophobicContact CZ-CG 3.62Å; A161-P165 VanDerWaalsContact O-CD 3.29Å; A161-P165 WeakPolarHBondContact O-CD 3.24Å; P165-G167 VanDerWaalsContact C-N 3.35Å; P165-I168 PolarHBondContact O-N 3.21Å; P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 2.67Å; P165-C169 PolarHBondContact O-SG 3.05Å; P165-C169 VanDerWaalsContact O-SG 3.36Å |
| 166 | F | 87.9 | Confident | 91.9 | Very high | 89 Ų | 89 | 25.7 Ų | 25.7 | 39% | 0.39 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -75.4 | -25.7 | 178.7 | -74.1 | -91 | 0 | 0 | 0 | 112.3 | A163 Y164 G170 I467 A471 | A163-F166 PolarHBondContact O-N 3.17Å; A163-F166 VanDerWaalsContact O-N 3.14Å; Y164-F166 PolarHBondContact O-N 3.5Å; F166-G170 VanDerWaalsContact O-CA 3.24Å; F166-G170 WeakPolarHBondContact O-CA 3.46Å; F166-G170 PolarHBondContact O-N 3.21Å; F166-I467 HydrophobicContact CD1-CG2 4.25Å; F166-I467 HydrophobicContact CD2-CB 4.42Å; F166-I467 HydrophobicContact CD2-CG1 4.3Å; F166-I467 HydrophobicContact CD2-CG2 3.55Å; F166-I467 HydrophobicContact CE1-CG2 3.94Å; F166-I467 HydrophobicContact CE2-CB 4.23Å; F166-I467 HydrophobicContact CE2-CD1 4.22Å; F166-I467 HydrophobicContact CE2-CG1 4.08Å; F166-I467 HydrophobicContact CE2-CG2 3.19Å; F166-I467 HydrophobicContact CG-CG2 4.07Å; F166-I467 HydrophobicContact CZ-CG2 3.4Å; F166-A471 HydrophobicContact CD1-CB 4.41Å |
| 167 | G | 89.8 | Confident | 91.9 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.4 | -54.9 | 166 | 0 | 0 | 0 | 0 | 0 | 111.6 | A129 A163 Y164 P165 G170 I171 | A129-G167 WeakPolarHBondContact O-CA 3.26Å; A163-G167 PolarHBondContact O-N 2.88Å; Y164-G167 PolarHBondContact O-N 2.89Å; Y164-G167 VanDerWaalsContact O-N 3.11Å; P165-G167 VanDerWaalsContact C-N 3.35Å; G167-G170 PolarHBondContact O-N 3.38Å; G167-I171 WeakPolarHBondContact O-CG2 3.37Å; G167-I171 PolarHBondContact O-N 3.13Å |
| 168 | I | 86.7 | Confident | 92 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -50.5 | 179.9 | -60.9 | 176.2 | 0 | 0 | 0 | 111.3 | L31 T131 Y164 P165 G170 I171 L172 P508 | L31-I168 HydrophobicContact CD2-CD1 4.28Å; T131-I168 HydrophobicContact CG2-CG1 3.84Å; Y164-I168 HydrophobicContact CD1-CD1 4.13Å; Y164-I168 HydrophobicContact CE1-CD1 3.5Å; Y164-I168 HydrophobicContact CE1-CG1 4.36Å; Y164-I168 PolarHBondContact O-N 3.43Å; P165-I168 PolarHBondContact O-N 3.21Å; I168-G170 VanDerWaalsContact C-N 3.34Å; I168-G170 PolarHBondContact O-N 3.47Å; I168-I171 WeakPolarHBondContact O-CG2 3.44Å; I168-L172 HydrophobicContact CG2-CD1 4.34Å; I168-L172 WeakPolarHBondContact O-CG 3.34Å; I168-L172 PolarHBondContact O-N 3.46Å; I168-P508 HydrophobicContact CG2-CB 4.43Å |
| 169 | C | 88.5 | Confident | 92.1 | Very high | 79 Ų | 79 | 31.7 Ų | 31.7 | 53% | 0.534 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.3 | -39.1 | -178.9 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | P165 I171 L172 F173 | P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 2.67Å; P165-C169 PolarHBondContact O-SG 3.05Å; P165-C169 VanDerWaalsContact O-SG 3.36Å; C169-I171 PolarHBondContact O-N 2.91Å; C169-L172 PolarHBondContact O-N 3.32Å; C169-F173 VanDerWaalsContact O-CB 3.3Å; C169-F173 WeakPolarHBondContact O-CB 3.49Å; C169-F173 PolarHBondContact O-N 2.96Å |
| 170 | G | 91.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F166 G167 I168 T174 | F166-G170 VanDerWaalsContact O-CA 3.24Å; F166-G170 WeakPolarHBondContact O-CA 3.46Å; F166-G170 PolarHBondContact O-N 3.21Å; G167-G170 PolarHBondContact O-N 3.38Å; I168-G170 VanDerWaalsContact C-N 3.34Å; I168-G170 PolarHBondContact O-N 3.47Å; G170-T174 WeakPolarHBondContact O-CB 3.36Å; G170-T174 PolarHBondContact O-N 3.38Å; G170-T174 PolarHBondContact O-OG1 2.76Å |
| 171 | I | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -42.7 | 175.6 | -173.4 | 165 | 0 | 0 | 0 | 112.3 | G167 I168 C169 F173 T174 M175 L478 L500 M504 D506 A509 | G167-I171 WeakPolarHBondContact O-CG2 3.37Å; G167-I171 PolarHBondContact O-N 3.13Å; I168-I171 WeakPolarHBondContact O-CG2 3.44Å; C169-I171 PolarHBondContact O-N 2.91Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 3.19Å; I171-T174 PolarHBondContact O-N 2.96Å; I171-T174 VanDerWaalsContact O-N 3.17Å; I171-M175 HydrophobicContact CD1-CE 3.98Å; I171-M175 HydrophobicContact CG1-CE 3.88Å; I171-M175 WeakPolarHBondContact O-CG 3.15Å; I171-M175 PolarHBondContact O-N 2.88Å; I171-L478 HydrophobicContact CB-CD1 3.82Å; I171-L478 HydrophobicContact CD1-CD1 4.42Å; I171-L478 HydrophobicContact CG1-CD1 3.92Å; I171-L500 HydrophobicContact CD1-CB 4.32Å; I171-L500 WeakPolarHBondContact CD1-O 3.42Å; I171-M504 HydrophobicContact CD1-CB 3.82Å; I171-M504 HydrophobicContact CD1-CG 3.88Å; I171-D506 WeakPolarHBondContact CG2-OD2 3.38Å; I171-A509 HydrophobicContact CD1-CB 3.81Å; I171-A509 HydrophobicContact CG1-CB 4.1Å; I171-A509 HydrophobicContact CG2-CB 3.65Å |
| 172 | L | 91 | Very high | 92.2 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.9 | -66.5 | 176.6 | 0 | 0 | 0 | 111.2 | I29 I168 C169 T174 M175 W176 F512 | I29-L172 HydrophobicContact CD1-CD1 3.63Å; I29-L172 HydrophobicContact CG1-CD1 4.28Å; I29-L172 HydrophobicContact CG2-CD1 4.3Å; I168-L172 HydrophobicContact CG2-CD1 4.34Å; I168-L172 WeakPolarHBondContact O-CG 3.34Å; I168-L172 PolarHBondContact O-N 3.46Å; C169-L172 PolarHBondContact O-N 3.32Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.37Å; L172-M175 PolarHBondContact O-N 3.04Å; L172-W176 WeakPolarHBondContact O-CB 3.42Å; L172-W176 PolarHBondContact O-N 3.33Å; L172-F512 HydrophobicContact CD2-CB 3.47Å; L172-F512 VanDerWaalsContact CD2-CB 3.47Å; L172-F512 HydrophobicContact CD2-CD1 3.8Å; L172-F512 HydrophobicContact CD2-CD2 4.05Å; L172-F512 HydrophobicContact CD2-CG 3.5Å; L172-F512 VanDerWaalsContact CD2-CG 3.5Å |
| 173 | F | 93.1 | Very high | 92.2 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 48% | 0.478 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 174 | 177.7 | -99.2 | 0 | 0 | 0 | 111.2 | C169 I171 M175 W176 M177 | C169-F173 VanDerWaalsContact O-CB 3.3Å; C169-F173 WeakPolarHBondContact O-CB 3.49Å; C169-F173 PolarHBondContact O-N 2.96Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 3.19Å; F173-M175 PolarHBondContact O-N 3.43Å; F173-W176 HydrophobicContact CD2-CE3 4.07Å; F173-W176 HydrophobicContact CD2-CZ3 4.32Å; F173-W176 AromaticContact CE2-CE3 3.94Å; F173-W176 HydrophobicContact CE2-CE3 3.94Å; F173-W176 AromaticContact CE2-CZ3 3.75Å; F173-W176 HydrophobicContact CE2-CZ3 3.75Å; F173-W176 HydrophobicContact CZ-CZ3 4.4Å; F173-W176 PolarHBondContact O-N 3.17Å; F173-M177 HydrophobicContact CE1-CB 4.42Å; F173-M177 HydrophobicContact CE1-SD 4.07Å; F173-M177 VanDerWaalsContact O-CB 3.27Å; F173-M177 WeakPolarHBondContact O-CB 2.95Å; F173-M177 PolarHBondContact O-N 3.4Å |
| 174 | T | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 179.9 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | G170 I171 L172 W176 M177 L178 L478 I479 | G170-T174 WeakPolarHBondContact O-CB 3.36Å; G170-T174 PolarHBondContact O-N 3.38Å; G170-T174 PolarHBondContact O-OG1 2.76Å; I171-T174 PolarHBondContact O-N 2.96Å; I171-T174 VanDerWaalsContact O-N 3.17Å; L172-T174 VanDerWaalsContact C-N 3.32Å; L172-T174 PolarHBondContact O-N 3.37Å; T174-W176 PolarHBondContact O-N 3.47Å; T174-M177 PolarHBondContact O-N 3.02Å; T174-L178 HydrophobicContact CG2-CD1 3.99Å; T174-L178 HydrophobicContact CG2-CG 4.3Å; T174-L178 WeakPolarHBondContact O-CB 3.39Å; T174-L178 VanDerWaalsContact O-CG 3.28Å; T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 3.36Å; T174-L478 HydrophobicContact CG2-CB 3.63Å; T174-I479 HydrophobicContact CG2-CG1 3.72Å |
| 175 | M | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 175.2 | -68.9 | -171.5 | -173 | 0 | 0 | 111.2 | I171 L172 F173 M177 L178 R179 Y493 C497 L500 A501 A509 F512 A513 | I171-M175 HydrophobicContact CD1-CE 3.98Å; I171-M175 HydrophobicContact CG1-CE 3.88Å; I171-M175 WeakPolarHBondContact O-CG 3.15Å; I171-M175 PolarHBondContact O-N 2.88Å; L172-M175 PolarHBondContact O-N 3.04Å; F173-M175 PolarHBondContact O-N 3.43Å; M175-M177 PolarHBondContact O-N 3.43Å; M175-L178 PolarHBondContact O-N 2.87Å; M175-R179 PolarHBondContact O-N 3.09Å; M175-R179 VanDerWaalsContact O-N 3.09Å; M175-Y493 PolarHBondContact O-OH 2.99Å; M175-Y493 VanDerWaalsContact O-OH 3.04Å; M175-C497 HydrophobicContact CE-CB 4.21Å; M175-C497 WeakPolarHBondContact CE-O 3.4Å; M175-C497 HydrophobicContact SD-CB 3.83Å; M175-L500 HydrophobicContact CE-CB 4.23Å; M175-L500 HydrophobicContact CG-CD1 4.45Å; M175-A501 HydrophobicContact CE-CB 3.86Å; M175-A509 HydrophobicContact CE-CB 3.98Å; M175-F512 HydrophobicContact CB-CE1 4.17Å; M175-F512 HydrophobicContact SD-CD1 3.86Å; M175-F512 HydrophobicContact SD-CE1 4.24Å; M175-A513 HydrophobicContact SD-CB 4.38Å |
| 176 | W | 93.6 | Very high | 92.4 | Very high | 140 Ų | 140 | 55.9 Ų | 55.9 | 53% | 0.53 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.2 | 172.7 | 82.7 | 0 | 0 | 0 | 112 | L172 F173 T174 L178 R179 V180 | L172-W176 WeakPolarHBondContact O-CB 3.42Å; L172-W176 PolarHBondContact O-N 3.33Å; F173-W176 HydrophobicContact CD2-CE3 4.07Å; F173-W176 HydrophobicContact CD2-CZ3 4.32Å; F173-W176 AromaticContact CE2-CE3 3.94Å; F173-W176 HydrophobicContact CE2-CE3 3.94Å; F173-W176 AromaticContact CE2-CZ3 3.75Å; F173-W176 HydrophobicContact CE2-CZ3 3.75Å; F173-W176 HydrophobicContact CZ-CZ3 4.4Å; F173-W176 PolarHBondContact O-N 3.17Å; T174-W176 PolarHBondContact O-N 3.47Å; W176-L178 PolarHBondContact O-N 3.04Å; W176-R179 VanDerWaalsContact O-CB 3.26Å; W176-R179 WeakPolarHBondContact O-CB 3.29Å; W176-R179 PolarHBondContact O-N 3.46Å; W176-V180 HydrophobicContact CD2-CG2 4.3Å; W176-V180 HydrophobicContact CH2-CG2 4.48Å; W176-V180 HydrophobicContact CZ2-CG2 3.94Å; W176-V180 WeakPolarHBondContact O-CG2 3.47Å; W176-V180 PolarHBondContact O-N 3.42Å; W176-V180 VanDerWaalsContact O-N 3.1Å |
| 177 | M | 95.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | -179.8 | -169.7 | -167.9 | 74.6 | 0 | 0 | 111.4 | F173 T174 M175 R179 V180 I181 I479 | F173-M177 HydrophobicContact CE1-CB 4.42Å; F173-M177 HydrophobicContact CE1-SD 4.07Å; F173-M177 VanDerWaalsContact O-CB 3.27Å; F173-M177 WeakPolarHBondContact O-CB 2.95Å; F173-M177 PolarHBondContact O-N 3.4Å; T174-M177 PolarHBondContact O-N 3.02Å; M175-M177 PolarHBondContact O-N 3.43Å; M177-R179 VanDerWaalsContact C-N 3.28Å; M177-R179 PolarHBondContact O-N 3.39Å; M177-V180 PolarHBondContact O-N 2.93Å; M177-V180 VanDerWaalsContact O-N 3.15Å; M177-I181 HydrophobicContact CE-CD1 3.7Å; M177-I181 HydrophobicContact CG-CD1 3.73Å; M177-I181 HydrophobicContact CG-CG1 4.29Å; M177-I181 WeakPolarHBondContact O-CB 3.38Å; M177-I181 WeakPolarHBondContact O-CG1 3.5Å; M177-I181 PolarHBondContact O-N 3.19Å; M177-I181 HydrophobicContact SD-CD1 4.09Å; M177-I479 HydrophobicContact CE-CB 4.15Å; M177-I479 HydrophobicContact CE-CD1 3.69Å; M177-I479 HydrophobicContact CE-CG1 3.53Å; M177-I479 HydrophobicContact CE-CG2 3.64Å; M177-I479 HydrophobicContact SD-CD1 4.25Å |
| 178 | L | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | 175.9 | -70.9 | 168.8 | 0 | 0 | 0 | 111.6 | T174 M175 W176 V180 F182 I483 Y493 M496 L500 | T174-L178 HydrophobicContact CG2-CD1 3.99Å; T174-L178 HydrophobicContact CG2-CG 4.3Å; T174-L178 WeakPolarHBondContact O-CB 3.39Å; T174-L178 VanDerWaalsContact O-CG 3.28Å; T174-L178 WeakPolarHBondContact O-CG 3.43Å; T174-L178 PolarHBondContact O-N 3.36Å; M175-L178 PolarHBondContact O-N 2.87Å; W176-L178 PolarHBondContact O-N 3.04Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 3.17Å; L178-F182 HydrophobicContact CD2-CD2 4.3Å; L178-F182 HydrophobicContact CD2-CE2 3.85Å; L178-F182 WeakPolarHBondContact O-CD2 3.28Å; L178-F182 PolarHBondContact O-N 3.4Å; L178-I483 HydrophobicContact CD2-CG1 3.93Å; L178-Y493 HydrophobicContact CB-CE2 4.43Å; L178-M496 HydrophobicContact CD1-CE 4.02Å; L178-L500 HydrophobicContact CD1-CD1 3.62Å |
| 179 | R | 94.3 | Very high | 92.8 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.6 | -168.4 | -173 | 169.5 | 172.3 | -4.1 | 111.7 | M175 W176 M177 R183 V184 Y493 | M175-R179 PolarHBondContact O-N 3.09Å; M175-R179 VanDerWaalsContact O-N 3.09Å; W176-R179 VanDerWaalsContact O-CB 3.26Å; W176-R179 WeakPolarHBondContact O-CB 3.29Å; W176-R179 PolarHBondContact O-N 3.46Å; M177-R179 VanDerWaalsContact C-N 3.28Å; M177-R179 PolarHBondContact O-N 3.39Å; R179-R183 WeakPolarHBondContact O-CA 3.17Å; R179-R183 PolarHBondContact O-N 2.9Å; R179-R183 VanDerWaalsContact O-N 3.1Å; R179-V184 HydrophobicContact CG-CB 4.01Å; R179-V184 PolarHBondContact O-N 2.91Å; R179-Y493 HydrophobicContact CB-CE1 4.4Å; R179-Y493 HydrophobicContact CB-CE2 3.86Å; R179-Y493 HydrophobicContact CG-CE1 4.26Å; R179-Y493 HydrophobicContact CG-CE2 4.49Å |
| 180 | V | 95.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.8 | -49.2 | -178.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | W176 M177 L178 F182 R183 | W176-V180 HydrophobicContact CD2-CG2 4.3Å; W176-V180 HydrophobicContact CH2-CG2 4.48Å; W176-V180 HydrophobicContact CZ2-CG2 3.94Å; W176-V180 WeakPolarHBondContact O-CG2 3.47Å; W176-V180 PolarHBondContact O-N 3.42Å; W176-V180 VanDerWaalsContact O-N 3.1Å; M177-V180 PolarHBondContact O-N 2.93Å; M177-V180 VanDerWaalsContact O-N 3.15Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 3.17Å; V180-F182 VanDerWaalsContact C-N 3.34Å; V180-F182 PolarHBondContact O-N 3.19Å; V180-R183 PolarHBondContact O-N 2.9Å; V180-R183 VanDerWaalsContact O-N 3.13Å |
| 181 | I | 95 | Very high | 92 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | -179 | -71.3 | 172 | 0 | 0 | 0 | 111 | M177 R183 | M177-I181 HydrophobicContact CE-CD1 3.7Å; M177-I181 HydrophobicContact CG-CD1 3.73Å; M177-I181 HydrophobicContact CG-CG1 4.29Å; M177-I181 WeakPolarHBondContact O-CB 3.38Å; M177-I181 WeakPolarHBondContact O-CG1 3.5Å; M177-I181 PolarHBondContact O-N 3.19Å; M177-I181 HydrophobicContact SD-CD1 4.09Å; I181-R183 VanDerWaalsContact C-N 3.31Å; I181-R183 PolarHBondContact O-N 3.13Å |
| 182 | F | 94.7 | Very high | 91.6 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.9 | -178.3 | -66.5 | -70.5 | 0 | 0 | 0 | 113.8 | L178 V180 V184 I483 R486 M487 | L178-F182 HydrophobicContact CD2-CD2 4.3Å; L178-F182 HydrophobicContact CD2-CE2 3.85Å; L178-F182 WeakPolarHBondContact O-CD2 3.28Å; L178-F182 PolarHBondContact O-N 3.4Å; V180-F182 VanDerWaalsContact C-N 3.34Å; V180-F182 PolarHBondContact O-N 3.19Å; F182-V184 HydrophobicContact CB-CG2 3.76Å; F182-V184 PolarHBondContact O-N 3.38Å; F182-I483 HydrophobicContact CE2-CG1 4.24Å; F182-I483 HydrophobicContact CZ-CB 4.44Å; F182-I483 HydrophobicContact CZ-CG1 4.31Å; F182-I483 HydrophobicContact CZ-CG2 4.28Å; F182-R486 HydrophobicContact CB-CG 4.47Å; F182-R486 HydrophobicContact CD1-CB 4.49Å; F182-R486 HydrophobicContact CD1-CG 3.63Å; F182-R486 HydrophobicContact CD2-CB 4.17Å; F182-R486 HydrophobicContact CD2-CG 3.79Å; F182-R486 HydrophobicContact CE1-CB 4.08Å; F182-R486 HydrophobicContact CE1-CG 3.66Å; F182-R486 HydrophobicContact CE2-CB 3.74Å; F182-R486 HydrophobicContact CE2-CG 3.82Å; F182-R486 HydrophobicContact CG-CG 3.7Å; F182-R486 HydrophobicContact CZ-CB 3.69Å; F182-R486 HydrophobicContact CZ-CG 3.75Å; F182-M487 HydrophobicContact CE1-CG 4.12Å; F182-M487 HydrophobicContact CZ-CG 4.19Å |
| 183 | R | 92.7 | Very high | 90.7 | Very high | 230 Ų | 230 | 65.1 Ų | 65.1 | 87% | 0.868 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 48.8 | 179.2 | -59.6 | -177.4 | -179.3 | 178.7 | -0.2 | 112.4 | R179 V180 I181 N185 | R179-R183 WeakPolarHBondContact O-CA 3.17Å; R179-R183 PolarHBondContact O-N 2.9Å; R179-R183 VanDerWaalsContact O-N 3.1Å; V180-R183 PolarHBondContact O-N 2.9Å; V180-R183 VanDerWaalsContact O-N 3.13Å; I181-R183 VanDerWaalsContact C-N 3.31Å; I181-R183 PolarHBondContact O-N 3.13Å; R183-N185 PolarHBondContact O-N 2.75Å |
| 184 | V | 91.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | trans | -75.8 | 125.2 | -170.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | R179 F182 E189 Y493 | R179-V184 HydrophobicContact CG-CB 4.01Å; R179-V184 PolarHBondContact O-N 2.91Å; F182-V184 HydrophobicContact CB-CG2 3.76Å; F182-V184 PolarHBondContact O-N 3.38Å; V184-E189 HydrophobicContact CG1-CG 3.5Å; V184-E189 VanDerWaalsContact CG1-CG 3.5Å; V184-Y493 HydrophobicContact CB-CG 4.28Å; V184-Y493 HydrophobicContact CG1-CD1 3.74Å; V184-Y493 HydrophobicContact CG1-CD2 4.43Å; V184-Y493 HydrophobicContact CG1-CG 3.69Å; V184-Y493 HydrophobicContact CG2-CD2 4.15Å; V184-Y493 HydrophobicContact CG2-CG 4.17Å | ||
| 185 | N | 92.6 | Very high | 88.2 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -89.4 | 114.7 | 163.3 | -172.4 | -33.1 | 0 | 0 | 0 | 109.5 | R183 E187 T188 E189 | R183-N185 PolarHBondContact O-N 2.75Å; N185-E187 VanDerWaalsContact C-N 3.33Å; N185-E187 PolarHBondContact O-N 3.28Å; N185-E187 WeakPolarHBondContact OD1-CB 3.39Å; N185-E187 PolarHBondContact OD1-N 2.84Å; N185-T188 PolarHBondContact O-N 2.96Å; N185-T188 PolarHBondContact OD1-N 3.41Å; N185-E189 WeakPolarHBondContact O-CG 3.47Å; N185-E189 PolarHBondContact O-N 3.41Å; N185-E189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | V | 91.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | -175.3 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | E189 A190 Y493 L494 L516 H517 | V186-E189 PolarHBondContact O-N 2.88Å; V186-A190 PolarHBondContact O-N 3.4Å; V186-Y493 HydrophobicContact CG2-CE1 4.35Å; V186-L494 HydrophobicContact CG1-CD2 4.11Å; V186-L516 HydrophobicContact CG1-CB 4.36Å; V186-L516 WeakPolarHBondContact CG1-O 3.34Å; V186-H517 HydrophobicContact CG1-CB 3.95Å |
| 187 | E | 90.1 | Very high | 84.9 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | -179.2 | -164.1 | 62.8 | -155.1 | 0 | 0 | 110.9 | N185 E189 A190 Q191 H517 | N185-E187 VanDerWaalsContact C-N 3.33Å; N185-E187 PolarHBondContact O-N 3.28Å; N185-E187 WeakPolarHBondContact OD1-CB 3.39Å; N185-E187 PolarHBondContact OD1-N 2.84Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.09Å; E187-A190 WeakPolarHBondContact O-CB 3.49Å; E187-A190 PolarHBondContact O-N 3.13Å; E187-Q191 WeakPolarHBondContact O-CG 3.33Å; E187-Q191 PolarHBondContact O-N 2.85Å; E187-H517 IonicContact OE1-NE2 3.53Å; E187-H517 IonicContact OE2-CD2 3.36Å; E187-H517 IonicContact OE2-NE2 3.17Å; E187-H517 PolarHBondContact OE2-NE2 3.34Å |
| 188 | T | 90.1 | Very high | 82.5 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.6 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | N185 A190 Q191 Q192 | N185-T188 PolarHBondContact O-N 2.96Å; N185-T188 PolarHBondContact OD1-N 3.41Å; T188-A190 VanDerWaalsContact C-N 3.34Å; T188-Q191 PolarHBondContact O-N 2.86Å; T188-Q192 WeakPolarHBondContact O-CB 3.49Å; T188-Q192 WeakPolarHBondContact O-CG 3.41Å; T188-Q192 PolarHBondContact O-N 3.39Å |
| 189 | E | 91.3 | Very high | 79.7 | Confident | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 175 | -68.2 | -79.9 | 163.2 | 0 | 0 | 111.6 | V184 N185 V186 E187 Q192 H193 R486 N492 Y493 | V184-E189 HydrophobicContact CG1-CG 3.5Å; V184-E189 VanDerWaalsContact CG1-CG 3.5Å; N185-E189 WeakPolarHBondContact O-CG 3.47Å; N185-E189 PolarHBondContact O-N 3.41Å; N185-E189 VanDerWaalsContact O-N 3.09Å; V186-E189 PolarHBondContact O-N 2.88Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.09Å; E189-Q192 PolarHBondContact O-N 3Å; E189-H193 WeakPolarHBondContact O-CB 3.28Å; E189-H193 PolarHBondContact O-N 3.17Å; E189-R486 IonicContact OE1-CZ 3.52Å; E189-R486 IonicContact OE1-NH1 3.6Å; E189-R486 PolarHBondContact OE1-NH1 3.23Å; E189-R486 IonicContact OE1-NH2 2.68Å; E189-R486 PolarHBondContact OE1-NH2 3.48Å; E189-R486 IonicContact OE2-NH1 3.19Å; E189-R486 PolarHBondContact OE2-NH1 2.91Å; E189-N492 PolarHBondContact O-ND2 2.92Å; E189-N492 WeakPolarHBondContact OE2-CA 3.45Å; E189-N492 PolarHBondContact OE2-ND2 2.83Å; E189-Y493 PolarHBondContact OE2-N 3.14Å |
| 190 | A | 84.6 | Confident | 77 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V186 E187 T188 Q192 H193 E194 L494 H517 | V186-A190 PolarHBondContact O-N 3.4Å; E187-A190 WeakPolarHBondContact O-CB 3.49Å; E187-A190 PolarHBondContact O-N 3.13Å; T188-A190 VanDerWaalsContact C-N 3.34Å; A190-Q192 VanDerWaalsContact C-N 3.35Å; A190-Q192 PolarHBondContact O-N 3.38Å; A190-H193 PolarHBondContact O-N 3.39Å; A190-E194 PolarHBondContact O-N 3.4Å; A190-L494 HydrophobicContact CB-CD1 4.01Å; A190-H517 VanDerWaalsContact CB-CD2 3.41Å; A190-H517 WeakPolarHBondContact CB-CD2 3.31Å; A190-H517 VanDerWaalsContact CB-NE2 3.35Å; A190-H517 WeakPolarHBondContact CB-NE2 3.46Å |
| 191 | Q | 80.7 | Confident | 74.5 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.6 | -68.2 | 174.7 | 1.1 | 0 | 0 | 112.3 | E187 T188 E194 S195 | E187-Q191 WeakPolarHBondContact O-CG 3.33Å; E187-Q191 PolarHBondContact O-N 2.85Å; T188-Q191 PolarHBondContact O-N 2.86Å; Q191-E194 PolarHBondContact O-N 3.2Å; Q191-S195 WeakPolarHBondContact O-CB 3.35Å; Q191-S195 PolarHBondContact O-N 3.17Å; Q191-S195 PolarHBondContact O-OG 3.18Å |
| 192 | Q | 82.2 | Confident | 72.2 | Confident | 96 Ų | 96 | 70.4 Ų | 70.4 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.5 | -79 | -180 | -1.5 | 0 | 0 | 112.2 | T188 E189 A190 S195 S196 | T188-Q192 WeakPolarHBondContact O-CB 3.49Å; T188-Q192 WeakPolarHBondContact O-CG 3.41Å; T188-Q192 PolarHBondContact O-N 3.39Å; E189-Q192 PolarHBondContact O-N 3Å; A190-Q192 VanDerWaalsContact C-N 3.35Å; A190-Q192 PolarHBondContact O-N 3.38Å; Q192-S195 VanDerWaalsContact CA-OG 3.28Å; Q192-S195 WeakPolarHBondContact CA-OG 3.41Å; Q192-S195 PolarHBondContact O-OG 3.47Å; Q192-S196 VanDerWaalsContact O-CB 3.23Å; Q192-S196 WeakPolarHBondContact O-CB 3.44Å; Q192-S196 PolarHBondContact O-N 2.96Å; Q192-S196 PolarHBondContact O-OG 2.85Å |
| 193 | H | 73.9 | Confident | 70.6 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 10% | 0.102 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 176.6 | -175.9 | -91.8 | 0 | 0 | 0 | 111.2 | E189 A190 S196 R197 T495 A522 | E189-H193 WeakPolarHBondContact O-CB 3.28Å; E189-H193 PolarHBondContact O-N 3.17Å; A190-H193 PolarHBondContact O-N 3.39Å; H193-S196 PolarHBondContact O-N 3.11Å; H193-R197 WeakPolarHBondContact O-CB 3.18Å; H193-R197 PolarHBondContact O-N 3.1Å; H193-T495 PolarHBondContact CD2-OG1 2.95Å; H193-A522 VanDerWaalsContact CD2-CB 3.48Å; H193-A522 WeakPolarHBondContact CD2-CB 3.28Å; H193-A522 VanDerWaalsContact CE1-CB 3.48Å; H193-A522 WeakPolarHBondContact CE1-CB 3.49Å; H193-A522 WeakPolarHBondContact NE2-CB 3.22Å |
| 194 | E | 68.5 | Low | 69.8 | Low | 117 Ų | 117 | 61.5 Ų | 61.5 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 179.3 | -165.1 | 157.2 | -162.4 | 0 | 0 | 112.7 | A190 Q191 R197 T198 | A190-E194 PolarHBondContact O-N 3.4Å; Q191-E194 PolarHBondContact O-N 3.2Å; E194-R197 WeakPolarHBondContact O-CB 3.35Å; E194-R197 PolarHBondContact O-N 3.15Å; E194-T198 PolarHBondContact O-N 3.43Å; E194-T198 PolarHBondContact O-OG1 3.4Å |
| 195 | S | 65.8 | Low | 69.5 | Low | 57 Ų | 57 | 66.2 Ų | 66.2 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 171.3 | 50 | 0 | 0 | 0 | 0 | 112.9 | Q191 Q192 T198 N199 | Q191-S195 WeakPolarHBondContact O-CB 3.35Å; Q191-S195 PolarHBondContact O-N 3.17Å; Q191-S195 PolarHBondContact O-OG 3.18Å; Q192-S195 VanDerWaalsContact CA-OG 3.28Å; Q192-S195 WeakPolarHBondContact CA-OG 3.41Å; Q192-S195 PolarHBondContact O-OG 3.47Å; S195-T198 VanDerWaalsContact C-OG1 3.31Å; S195-T198 WeakPolarHBondContact CA-OG1 3.43Å; S195-T198 PolarHBondContact O-N 3.22Å; S195-T198 PolarHBondContact O-OG1 3.36Å; S195-N199 PolarHBondContact O-N 2.86Å |
| 196 | S | 63.3 | Low | 69.3 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | Q192 H193 N199 G200 | Q192-S196 VanDerWaalsContact O-CB 3.23Å; Q192-S196 WeakPolarHBondContact O-CB 3.44Å; Q192-S196 PolarHBondContact O-N 2.96Å; Q192-S196 PolarHBondContact O-OG 2.85Å; H193-S196 PolarHBondContact O-N 3.11Å; S196-N199 PolarHBondContact O-N 2.91Å; S196-G200 PolarHBondContact O-N 2.89Å |
| 197 | R | 55.8 | Low | 69.4 | Low | 83 Ų | 83 | 64.5 Ų | 64.5 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 173.3 | -111.5 | 176.9 | 162.7 | 176.9 | -7.2 | 111.8 | H193 E194 N199 G200 G201 A202 S520 | H193-R197 WeakPolarHBondContact O-CB 3.18Å; H193-R197 PolarHBondContact O-N 3.1Å; E194-R197 WeakPolarHBondContact O-CB 3.35Å; E194-R197 PolarHBondContact O-N 3.15Å; R197-N199 PolarHBondContact O-N 3.49Å; R197-G200 PolarHBondContact O-N 3.34Å; R197-G201 CarbonylContact O-C 3.13Å; R197-G201 PolarHBondContact O-N 3.32Å; R197-G201 VanDerWaalsContact O-N 3.09Å; R197-A202 WeakPolarHBondContact O-CA 3.42Å; R197-A202 PolarHBondContact O-N 2.8Å; R197-S520 PolarHBondContact NH1-O 3.44Å |
| 198 | T | 43.4 | Very low | 69.6 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -24.9 | 176 | 35.8 | 0 | 0 | 0 | 0 | 112.5 | E194 S195 A202 | E194-T198 PolarHBondContact O-N 3.43Å; E194-T198 PolarHBondContact O-OG1 3.4Å; S195-T198 VanDerWaalsContact C-OG1 3.31Å; S195-T198 WeakPolarHBondContact CA-OG1 3.43Å; S195-T198 PolarHBondContact O-N 3.22Å; S195-T198 PolarHBondContact O-OG1 3.36Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å |
| 199 | N | 37.6 | Very low | 69.8 | Low | 151 Ų | 151 | 58 Ų | 58 | 81% | 0.807 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -94.1 | -22.8 | 175.7 | -75.2 | -16.4 | 0 | 0 | 0 | 115.6 | S195 S196 R197 | S195-N199 PolarHBondContact O-N 2.86Å; S196-N199 PolarHBondContact O-N 2.91Å; R197-N199 PolarHBondContact O-N 3.49Å |
| 200 | G | 36.2 | Very low | 70 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 76% | 0.763 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -122.8 | -1.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | S196 R197 | S196-G200 PolarHBondContact O-N 2.89Å; R197-G200 PolarHBondContact O-N 3.34Å |
| 201 | G | 43 | Very low | 70.6 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -179.9 | 63.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | R197 L203 | R197-G201 CarbonylContact O-C 3.13Å; R197-G201 PolarHBondContact O-N 3.32Å; R197-G201 VanDerWaalsContact O-N 3.09Å; G201-L203 PolarHBondContact O-N 3.46Å |
| 202 | A | 47.1 | Very low | 71.3 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | trans | -64.7 | 126.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R197 T198 I204 Q263 P264 | R197-A202 WeakPolarHBondContact O-CA 3.42Å; R197-A202 PolarHBondContact O-N 2.8Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; A202-I204 PolarHBondContact O-N 2.96Å; A202-I204 VanDerWaalsContact O-N 3.17Å; A202-Q263 HydrophobicContact CB-CB 4.32Å; A202-P264 HydrophobicContact CB-CG 3.71Å | ||
| 203 | L | 61.7 | Low | 71.9 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | trans | -45.4 | 126.2 | 169 | -76.2 | 160.7 | 0 | 0 | 0 | 107.9 | G201 K205 | G201-L203 PolarHBondContact O-N 3.46Å; L203-K205 PolarHBondContact O-N 2.8Å | ||
| 204 | I | 75 | Confident | 72.9 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | trans | -52.4 | 111.8 | 175.3 | -57.3 | -71.6 | 0 | 0 | 0 | 107.2 | A202 V261 R321 E328 V330 | A202-I204 PolarHBondContact O-N 2.96Å; A202-I204 VanDerWaalsContact O-N 3.17Å; I204-V261 HydrophobicContact CG2-CG1 3.35Å; I204-R321 HydrophobicContact CG2-CG 4.25Å; I204-E328 HydrophobicContact CG1-CG 4.46Å; I204-V330 HydrophobicContact CD1-CB 4.1Å; I204-V330 HydrophobicContact CD1-CG2 3.22Å | ||
| 205 | K | 84.6 | Confident | 74.1 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 168.6 | 176.5 | -79 | -162.4 | 179.9 | -175.3 | 0 | 109.6 | L203 V261 G262 P264 L267 | L203-K205 PolarHBondContact O-N 2.8Å; K205-V261 WeakPolarHBondContact O-CA 3.39Å; K205-G262 PolarHBondContact N-O 3.26Å; K205-G262 PolarHBondContact O-N 3.39Å; K205-G262 VanDerWaalsContact O-N 3.1Å; K205-P264 HydrophobicContact CD-CG 4.1Å; K205-P264 HydrophobicContact CG-CG 4.23Å; K205-L267 HydrophobicContact CB-CD1 3.81Å |
| 206 | T | 89.5 | Confident | 75.4 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.7 | 171.8 | 58.8 | 0 | 0 | 0 | 0 | 109.6 | H259 L260 V261 | T206-H259 WeakPolarHBondContact CB-NE2 3.38Å; T206-L260 WeakPolarHBondContact CA-O 3.24Å; T206-V261 HydrophobicContact CG2-CB 4.27Å; T206-V261 HydrophobicContact CG2-CG1 4.07Å; T206-V261 HydrophobicContact CG2-CG2 3.83Å |
| 207 | I | 92.2 | Very high | 76.8 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.7 | 173.3 | 61.2 | 172.2 | 0 | 0 | 0 | 109.4 | I209 L260 L267 E277 | I207-I209 HydrophobicContact CD1-CD1 3.41Å; I207-I209 VanDerWaalsContact CD1-CD1 3.41Å; I207-I209 HydrophobicContact CD1-CG1 3.75Å; I207-I209 HydrophobicContact CG1-CD1 4.16Å; I207-I209 HydrophobicContact CG1-CG1 4.22Å; I207-L260 HydrophobicContact CG1-CB 4.23Å; I207-L260 PolarHBondContact N-O 3.21Å; I207-L260 VanDerWaalsContact N-O 3.1Å; I207-L260 PolarHBondContact O-N 2.97Å; I207-L267 HydrophobicContact CD1-CB 3.77Å; I207-L267 HydrophobicContact CD1-CD2 4.28Å; I207-L267 HydrophobicContact CD1-CG 4.45Å; I207-L267 HydrophobicContact CG1-CB 4.23Å; I207-L267 HydrophobicContact CG1-CD1 4.29Å; I207-L267 HydrophobicContact CG1-CD2 4.03Å; I207-L267 HydrophobicContact CG1-CG 4.4Å; I207-L267 HydrophobicContact CG2-CD1 4.27Å; I207-E277 HydrophobicContact CB-CG 4.42Å; I207-E277 VanDerWaalsContact CG2-OE1 3.31Å; I207-E277 WeakPolarHBondContact CG2-OE1 3.41Å |
| 208 | N | 94.9 | Very high | 78.6 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125 | 168 | -53.4 | -55.1 | 0 | 0 | 0 | 108 | L258 H259 E277 V278 T280 L282 | N208-L258 CarbonylContact C-O 3.59Å; N208-L258 VanDerWaalsContact CA-O 3.29Å; N208-L258 WeakPolarHBondContact CA-O 3.09Å; N208-H259 PolarHBondContact OD1-ND1 3.08Å; N208-E277 CarbonylContact O-C 3.58Å; N208-E277 WeakPolarHBondContact O-CA 3.35Å; N208-V278 HydrophobicContact CB-CG2 3.99Å; N208-V278 WeakPolarHBondContact CB-O 3.33Å; N208-V278 PolarHBondContact O-N 3Å; N208-T280 PolarHBondContact ND2-O 2.71Å; N208-L282 HydrophobicContact CB-CD1 4.13Å |
| 209 | I | 94.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.2 | 176.7 | -68.9 | 165 | 0 | 0 | 0 | 109 | I207 L257 L258 L260 A270 Q271 I274 Q276 | I207-I209 HydrophobicContact CD1-CD1 3.41Å; I207-I209 VanDerWaalsContact CD1-CD1 3.41Å; I207-I209 HydrophobicContact CD1-CG1 3.75Å; I207-I209 HydrophobicContact CG1-CD1 4.16Å; I207-I209 HydrophobicContact CG1-CG1 4.22Å; I209-L257 CarbonylContact O-C 3.16Å; I209-L257 WeakPolarHBondContact O-CA 3.43Å; I209-L258 PolarHBondContact N-O 3.09Å; I209-L258 PolarHBondContact O-N 3.34Å; I209-L260 HydrophobicContact CD1-CD1 3.74Å; I209-A270 HydrophobicContact CD1-CB 4.3Å; I209-Q271 HydrophobicContact CD1-CB 3.99Å; I209-I274 HydrophobicContact CG2-CB 3.95Å; I209-I274 HydrophobicContact CG2-CG2 3.63Å; I209-Q276 CarbonylContact C-O 3.19Å; I209-Q276 WeakPolarHBondContact CA-O 3.28Å |
| 210 | R | 96 | Very high | 83.8 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.8 | 163.8 | -175.5 | -177.1 | -64.5 | 142.5 | -1.2 | 109.3 | E212 D256 L257 G275 Q276 V278 | R210-E212 HydrophobicContact CB-CG 4.48Å; R210-E212 HydrophobicContact CG-CG 4.11Å; R210-E212 IonicContact NH1-OE1 2.8Å; R210-E212 PolarHBondContact O-N 3.05Å; R210-D256 CarbonylContact C-O 3.35Å; R210-D256 WeakPolarHBondContact CA-O 3.49Å; R210-L257 HydrophobicContact CB-CD2 3.6Å; R210-L257 HydrophobicContact CG-CD2 3.84Å; R210-G275 WeakPolarHBondContact O-CA 3.41Å; R210-Q276 PolarHBondContact N-O 2.88Å; R210-Q276 PolarHBondContact O-N 3.4Å; R210-V278 HydrophobicContact CB-CG1 3.93Å |
| 211 | V | 96.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 110.9 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | L216 I252 G255 D256 L258 I274 | V211-L216 HydrophobicContact CG1-CB 4.38Å; V211-I252 HydrophobicContact CB-CG2 4.28Å; V211-I252 HydrophobicContact CG1-CG2 3.75Å; V211-I252 HydrophobicContact CG2-CG2 3.81Å; V211-G255 PolarHBondContact O-N 3.36Å; V211-D256 HydrophobicContact CB-CB 4.39Å; V211-D256 HydrophobicContact CG2-CB 3.95Å; V211-D256 WeakPolarHBondContact CG2-O 3.36Å; V211-D256 PolarHBondContact N-O 3.48Å; V211-L258 HydrophobicContact CG2-CD1 3.89Å; V211-L258 HydrophobicContact CG2-CG 3.96Å; V211-I274 HydrophobicContact CB-CG2 4.4Å; V211-I274 HydrophobicContact CG2-CG2 3.85Å |
| 212 | E | 95.6 | Very high | 88.6 | Confident | 87 Ų | 87 | 52.6 Ų | 52.6 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | trans | -120.6 | -14.7 | 178.3 | -66.3 | -174.9 | 168.3 | 0 | 0 | 112.1 | R210 P214 I274 | R210-E212 HydrophobicContact CB-CG 4.48Å; R210-E212 HydrophobicContact CG-CG 4.11Å; R210-E212 IonicContact NH1-OE1 2.8Å; R210-E212 PolarHBondContact O-N 3.05Å; E212-P214 WeakPolarHBondContact O-CD 3.47Å; E212-I274 PolarHBondContact N-O 3.43Å | ||
| 213 | N | 95.1 | Very high | 90.8 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | trans | -72.4 | 114 | 176.5 | -175 | -9.7 | 0 | 0 | 0 | 111.1 | N215 L216 V273 I274 | N213-N215 PolarHBondContact O-N 3.32Å; N213-N215 WeakPolarHBondContact OD1-CB 2.98Å; N213-N215 PolarHBondContact OD1-N 3.01Å; N213-N215 PolarHBondContact OD1-ND2 3.48Å; N213-L216 HydrophobicContact CB-CD1 4.13Å; N213-L216 HydrophobicContact CB-CG 4.08Å; N213-L216 PolarHBondContact O-N 3.14Å; N213-L216 VanDerWaalsContact O-N 3.11Å; N213-V273 VanDerWaalsContact CB-O 3.31Å; N213-V273 WeakPolarHBondContact CB-O 3.32Å; N213-V273 PolarHBondContact ND2-O 3.45Å; N213-I274 WeakPolarHBondContact CB-O 3.44Å; N213-I274 PolarHBondContact N-O 2.85Å | ||
| 214 | P | 94 | Very high | 92.2 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -64.4 | -24.2 | -179.1 | -20.3 | 34.1 | 0 | 0 | 0 | 113.6 | E212 L216 H217 | E212-P214 WeakPolarHBondContact O-CD 3.47Å; P214-L216 PolarHBondContact O-N 3.37Å; P214-H217 WeakPolarHBondContact O-CB 3.26Å; P214-H217 PolarHBondContact O-N 3.47Å; P214-H217 VanDerWaalsContact O-N 3.1Å |
| 215 | N | 94.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 57.3 Ų | 57.3 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -68.9 | -16.1 | 178.1 | -58.9 | -66.2 | 0 | 0 | 0 | 112.9 | N213 L219 | N213-N215 PolarHBondContact O-N 3.32Å; N213-N215 WeakPolarHBondContact OD1-CB 2.98Å; N213-N215 PolarHBondContact OD1-N 3.01Å; N213-N215 PolarHBondContact OD1-ND2 3.48Å; N215-L219 WeakPolarHBondContact O-CD1 3.42Å |
| 216 | L | 93.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -90.6 | -7.6 | 175.7 | -56.6 | -176.7 | 0 | 0 | 0 | 112.5 | V211 N213 P214 L219 V224 I274 | V211-L216 HydrophobicContact CG1-CB 4.38Å; N213-L216 HydrophobicContact CB-CD1 4.13Å; N213-L216 HydrophobicContact CB-CG 4.08Å; N213-L216 PolarHBondContact O-N 3.14Å; N213-L216 VanDerWaalsContact O-N 3.11Å; P214-L216 PolarHBondContact O-N 3.37Å; L216-L219 HydrophobicContact CD2-CD1 4.4Å; L216-L219 PolarHBondContact O-N 3.48Å; L216-V224 HydrophobicContact CD2-CG1 3.99Å; L216-V224 HydrophobicContact CD2-CG2 3.92Å; L216-I274 HydrophobicContact CD1-CB 4.11Å; L216-I274 HydrophobicContact CD1-CG1 3.91Å; L216-I274 HydrophobicContact CD1-CG2 4.11Å |
| 217 | H | 92.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 136.5 | 177.8 | -164.6 | 69.5 | 0 | 0 | 0 | 110.6 | P214 L219 L254 | P214-H217 WeakPolarHBondContact O-CB 3.26Å; P214-H217 PolarHBondContact O-N 3.47Å; P214-H217 VanDerWaalsContact O-N 3.1Å; H217-L219 PolarHBondContact O-N 3.19Å; H217-L219 VanDerWaalsContact O-N 3.09Å; H217-L254 HydrophobicContact CB-CD1 4.23Å; H217-L254 HydrophobicContact CB-CG 4.24Å; H217-L254 PolarHBondContact ND1-N 3.08Å |
| 218 | D | 93.8 | Very high | 92.7 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 11.9 | -178.4 | -68 | -33.7 | 0 | 0 | 0 | 115.7 | I251 I252 | D218-I251 VanDerWaalsContact CA-CG2 3.48Å; D218-I251 HydrophobicContact CB-CG2 4.41Å; D218-I252 PolarHBondContact N-O 3.47Å |
| 219 | L | 95.1 | Very high | 91.9 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | trans | -88.4 | 141.6 | 168.9 | -66.1 | -174.4 | 0 | 0 | 0 | 111.2 | N215 L216 H217 V224 I251 I252 | N215-L219 WeakPolarHBondContact O-CD1 3.42Å; L216-L219 HydrophobicContact CD2-CD1 4.4Å; L216-L219 PolarHBondContact O-N 3.48Å; H217-L219 PolarHBondContact O-N 3.19Å; H217-L219 VanDerWaalsContact O-N 3.09Å; L219-V224 HydrophobicContact CB-CG2 4.22Å; L219-V224 HydrophobicContact CD1-CG2 4.4Å; L219-I251 WeakPolarHBondContact O-CA 3.5Å; L219-I252 PolarHBondContact O-N 3.3Å | ||
| 220 | A | 94.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 149.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K222 D223 T250 I251 | A220-K222 HydrophobicContact CB-CG 4.06Å; A220-K222 PolarHBondContact O-N 3.09Å; A220-D223 WeakPolarHBondContact CB-OD2 3.41Å; A220-D223 WeakPolarHBondContact O-CB 3.35Å; A220-D223 PolarHBondContact O-N 3.09Å; A220-T250 WeakPolarHBondContact CA-O 3.29Å; A220-I251 HydrophobicContact CB-CD1 3.85Å |
| 221 | I | 91 | Very high | 90.6 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -54.6 | -37.9 | 178.5 | -77.1 | 172.5 | 0 | 0 | 0 | 112.6 | D223 V224 L227 L237 P246 P248 T250 I252 | I221-D223 PolarHBondContact O-N 3.26Å; I221-V224 PolarHBondContact O-N 3.35Å; I221-L227 HydrophobicContact CG2-CB 4.11Å; I221-L237 HydrophobicContact CD1-CD1 4.45Å; I221-P246 HydrophobicContact CD1-CB 3.34Å; I221-P246 HydrophobicContact CD1-CG 4.2Å; I221-P248 PolarHBondContact N-O 3.31Å; I221-T250 HydrophobicContact CD1-CG2 4.15Å; I221-T250 PolarHBondContact N-O 3.41Å; I221-I252 HydrophobicContact CD1-CG1 4.48Å; I221-I252 HydrophobicContact CG1-CD1 3.77Å; I221-I252 HydrophobicContact CG1-CG1 3.63Å |
| 222 | K | 89.9 | Confident | 90.3 | Very high | 83 Ų | 83 | 60.6 Ų | 60.6 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.7 | -25.5 | 176.9 | 71.3 | -173.6 | -176.7 | -172.9 | 0 | 113.6 | A220 V224 N228 P248 D249 | A220-K222 HydrophobicContact CB-CG 4.06Å; A220-K222 PolarHBondContact O-N 3.09Å; K222-V224 VanDerWaalsContact C-N 3.32Å; K222-N228 VanDerWaalsContact O-CB 3.3Å; K222-N228 WeakPolarHBondContact O-CB 3.33Å; K222-N228 VanDerWaalsContact O-CG 3.24Å; K222-N228 PolarHBondContact O-ND2 3.26Å; K222-P248 HydrophobicContact CB-CB 4.08Å; K222-P248 WeakPolarHBondContact CB-O 3.33Å; K222-P248 HydrophobicContact CD-CB 4.5Å; K222-P248 WeakPolarHBondContact CG-O 3.47Å; K222-P248 PolarHBondContact N-O 3.34Å; K222-D249 WeakPolarHBondContact CE-OD1 3.23Å; K222-D249 IonicContact NZ-OD1 2.75Å; K222-D249 PolarHBondContact NZ-OD1 3.17Å |
| 223 | D | 92.2 | Very high | 90.2 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -88.1 | -7.2 | -177.7 | -58.2 | -39.8 | 0 | 0 | 0 | 111.8 | A220 I221 P225 | A220-D223 WeakPolarHBondContact CB-OD2 3.41Å; A220-D223 WeakPolarHBondContact O-CB 3.35Å; A220-D223 PolarHBondContact O-N 3.09Å; I221-D223 PolarHBondContact O-N 3.26Å; D223-P225 WeakPolarHBondContact O-CD 3.15Å |
| 224 | V | 92 | Very high | 90.1 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -94.4 | 106.9 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | L216 L219 I221 K222 I226 L227 N228 I252 | L216-V224 HydrophobicContact CD2-CG1 3.99Å; L216-V224 HydrophobicContact CD2-CG2 3.92Å; L219-V224 HydrophobicContact CB-CG2 4.22Å; L219-V224 HydrophobicContact CD1-CG2 4.4Å; I221-V224 PolarHBondContact O-N 3.35Å; K222-V224 VanDerWaalsContact C-N 3.32Å; V224-I226 HydrophobicContact CG1-CG2 3.85Å; V224-I226 PolarHBondContact O-N 2.93Å; V224-I226 VanDerWaalsContact O-N 3.09Å; V224-L227 HydrophobicContact CB-CB 4.19Å; V224-L227 HydrophobicContact CB-CD1 4.18Å; V224-L227 HydrophobicContact CB-CG 4.38Å; V224-L227 HydrophobicContact CG1-CB 4.17Å; V224-L227 HydrophobicContact CG1-CD1 3.94Å; V224-L227 HydrophobicContact CG1-CG 3.94Å; V224-L227 PolarHBondContact O-N 3.05Å; V224-N228 PolarHBondContact O-N 3.3Å; V224-I252 HydrophobicContact CG2-CD1 3.86Å |
| 225 | P | 89.2 | Confident | 90 | Very high | 113 Ų | 113 | 51.6 Ų | 51.6 | 73% | 0.734 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.2 | -169.7 | -27.6 | 36 | 0 | 0 | 0 | 114.4 | D223 L227 G229 | D223-P225 WeakPolarHBondContact O-CD 3.15Å; P225-L227 VanDerWaalsContact C-N 3.34Å; P225-G229 PolarHBondContact O-N 3.37Å; P225-G229 VanDerWaalsContact O-N 3.13Å |
| 226 | I | 89 | Confident | 89.9 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.195 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24 | -179.8 | -163 | 148.3 | 0 | 0 | 0 | 113.3 | V224 I232 N269 A270 V273 I274 | V224-I226 HydrophobicContact CG1-CG2 3.85Å; V224-I226 PolarHBondContact O-N 2.93Å; V224-I226 VanDerWaalsContact O-N 3.09Å; I226-I232 HydrophobicContact CG1-CD1 4.09Å; I226-N269 VanDerWaalsContact CD1-C 3.45Å; I226-N269 HydrophobicContact CD1-CB 3.9Å; I226-A270 VanDerWaalsContact CD1-CA 3.47Å; I226-A270 HydrophobicContact CD1-CB 4.04Å; I226-A270 HydrophobicContact CG1-CB 4.07Å; I226-V273 HydrophobicContact CD1-CG2 4.38Å; I226-V273 HydrophobicContact CG2-CG1 4.38Å; I226-I274 HydrophobicContact CG2-CD1 4.19Å; I226-I274 HydrophobicContact CG2-CG1 4.28Å |
| 227 | L | 88.7 | Confident | 89.9 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -24 | 177.4 | -66.1 | 176.8 | 0 | 0 | 0 | 112.9 | I221 V224 P225 C234 I252 L258 L260 I274 | I221-L227 HydrophobicContact CG2-CB 4.11Å; V224-L227 HydrophobicContact CB-CB 4.19Å; V224-L227 HydrophobicContact CB-CD1 4.18Å; V224-L227 HydrophobicContact CB-CG 4.38Å; V224-L227 HydrophobicContact CG1-CB 4.17Å; V224-L227 HydrophobicContact CG1-CD1 3.94Å; V224-L227 HydrophobicContact CG1-CG 3.94Å; V224-L227 PolarHBondContact O-N 3.05Å; P225-L227 VanDerWaalsContact C-N 3.34Å; L227-C234 HydrophobicContact CD2-CB 4.45Å; L227-I252 HydrophobicContact CD1-CD1 3.67Å; L227-L258 HydrophobicContact CD1-CD1 3.91Å; L227-L258 HydrophobicContact CD2-CD1 4.38Å; L227-L260 HydrophobicContact CD2-CD1 4.23Å; L227-L260 HydrophobicContact CD2-CD2 3.75Å; L227-I274 HydrophobicContact CD1-CD1 4.24Å; L227-I274 HydrophobicContact CD2-CD1 3.7Å; L227-I274 HydrophobicContact CG-CD1 4Å |
| 228 | N | 83.4 | Confident | 90 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -89.6 | -2.6 | 173.9 | -164.2 | 26.3 | 0 | 0 | 0 | 113.1 | K222 V224 | K222-N228 VanDerWaalsContact O-CB 3.3Å; K222-N228 WeakPolarHBondContact O-CB 3.33Å; K222-N228 VanDerWaalsContact O-CG 3.24Å; K222-N228 PolarHBondContact O-ND2 3.26Å; V224-N228 PolarHBondContact O-N 3.3Å |
| 229 | G | 79.8 | Confident | 89.9 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.5 | 159.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P225 K231 | P225-G229 PolarHBondContact O-N 3.37Å; P225-G229 VanDerWaalsContact O-N 3.13Å; G229-K231 PolarHBondContact O-N 3.37Å |
| 230 | D | 78.7 | Confident | 89.5 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -1.8 | -179.5 | -79.9 | -52.6 | 0 | 0 | 0 | 114.7 | R307 S332 G333 | D230-R307 IonicContact OD1-NH2 3.52Å; D230-R307 PolarHBondContact OD1-NH2 3.34Å; D230-R307 IonicContact OD2-CZ 2.84Å; D230-R307 IonicContact OD2-NH2 3.66Å; D230-R307 PolarHBondContact OD2-NH2 2.95Å; D230-S332 WeakPolarHBondContact O-CB 3.44Å; D230-G333 PolarHBondContact OD1-N 3.36Å |
| 231 | K | 84.3 | Confident | 89 | Confident | 131 Ų | 131 | 54.3 Ų | 54.3 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -21.3 | -173.9 | -58.4 | -169.2 | -175.8 | 179 | 0 | 114.3 | G229 D266 | G229-K231 PolarHBondContact O-N 3.37Å; K231-D266 HydrophobicContact CB-CB 4.24Å; K231-D266 WeakPolarHBondContact CD-OD1 3.28Å; K231-D266 IonicContact NZ-OD1 2.84Å |
| 232 | I | 90.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130.8 | -175.3 | -56.7 | 177.5 | 0 | 0 | 0 | 108.7 | I226 L260 V261 D266 L267 A270 | I226-I232 HydrophobicContact CG1-CD1 4.09Å; I232-L260 HydrophobicContact CG2-CB 3.84Å; I232-L260 HydrophobicContact CG2-CD1 4.11Å; I232-L260 HydrophobicContact CG2-CD2 4.24Å; I232-L260 HydrophobicContact CG2-CG 4.29Å; I232-V261 WeakPolarHBondContact CA-O 3.37Å; I232-D266 HydrophobicContact CD1-CB 3.94Å; I232-D266 WeakPolarHBondContact CD1-O 3.49Å; I232-D266 HydrophobicContact CG1-CB 3.82Å; I232-L267 HydrophobicContact CG2-CD2 4.14Å; I232-A270 HydrophobicContact CD1-CB 3.62Å |
| 233 | I | 91.6 | Very high | 89 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.4 | 173 | -57.3 | -60.6 | 0 | 0 | 0 | 108.7 | S235 V261 V318 V330 | I233-S235 PolarHBondContact O-N 3.28Å; I233-S235 VanDerWaalsContact O-N 3.15Å; I233-V261 HydrophobicContact CB-CB 4.47Å; I233-V261 PolarHBondContact N-O 3.2Å; I233-V261 PolarHBondContact O-N 3.2Å; I233-V318 HydrophobicContact CG2-CG2 3.59Å; I233-V330 HydrophobicContact CD1-CG1 4.39Å; I233-V330 HydrophobicContact CG1-CG1 3.68Å |
| 234 | C | 93.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 96.5 | 166.1 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | L227 P246 L260 | L227-C234 HydrophobicContact CD2-CB 4.45Å; C234-P246 HydrophobicContact CB-CG 4.3Å; C234-P246 WeakPolarHBondContact O-CG 3.24Å; C234-L260 HydrophobicContact CB-CD2 3.72Å |
| 235 | S | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -34.2 | -173.3 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | I233 H259 V318 | I233-S235 PolarHBondContact O-N 3.28Å; I233-S235 VanDerWaalsContact O-N 3.15Å; S235-H259 PolarHBondContact N-O 3.36Å; S235-H259 PolarHBondContact OG-CD2 3.35Å; S235-H259 PolarHBondContact OG-O 3.46Å; S235-V318 WeakPolarHBondContact O-CG1 3.29Å |
| 236 | R | 92.8 | Very high | 88.9 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 148.9 | -173 | -68.2 | 163.6 | -79.1 | -173.1 | -7.3 | 109.7 | L243 K244 H259 L282 L289 V346 | R236-L243 HydrophobicContact CB-CD1 4.11Å; R236-K244 WeakPolarHBondContact CA-O 3.25Å; R236-H259 HydrophobicContact CB-CB 3.98Å; R236-H259 PolarHBondContact NH2-CD2 3.48Å; R236-H259 PolarHBondContact NH2-CE1 3.02Å; R236-H259 VanDerWaalsContact NH2-CE1 3.29Å; R236-H259 PolarHBondContact NH2-NE2 2.91Å; R236-H259 PolarHBondContact O-N 2.79Å; R236-L282 PolarHBondContact NH1-O 3.45Å; R236-L289 HydrophobicContact CG-CD1 4.46Å; R236-V346 HydrophobicContact CG-CG1 3.91Å |
| 237 | L | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.5 | 170.4 | -178.3 | 156.7 | 0 | 0 | 0 | 107.8 | I221 R239 K244 P246 T250 D256 L257 L258 | I221-L237 HydrophobicContact CD1-CD1 4.45Å; L237-R239 HydrophobicContact CD2-CB 3.97Å; L237-K244 HydrophobicContact CB-CG 4.49Å; L237-K244 HydrophobicContact CD2-CG 4.36Å; L237-K244 PolarHBondContact N-O 3.15Å; L237-K244 PolarHBondContact O-N 3.04Å; L237-P246 HydrophobicContact CB-CB 4.19Å; L237-P246 HydrophobicContact CB-CG 4.27Å; L237-T250 HydrophobicContact CD1-CG2 4.03Å; L237-D256 HydrophobicContact CG-CB 4.49Å; L237-L257 CarbonylContact C-O 3.22Å; L237-L257 VanDerWaalsContact CA-O 3.31Å; L237-L257 WeakPolarHBondContact CA-O 3.34Å; L237-L258 HydrophobicContact CB-CD2 4.02Å; L237-L258 HydrophobicContact CD1-CD2 3.5Å; L237-L258 HydrophobicContact CG-CD2 3.66Å |
| 238 | K | 94.1 | Very high | 88.8 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.1 | 170.1 | -177.6 | 171.7 | 175.1 | 169.3 | 0 | 108.7 | E240 E241 T242 L243 L257 L282 | K238-E240 WeakPolarHBondContact CE-O 3.22Å; K238-E240 WeakPolarHBondContact CG-O 3.4Å; K238-E241 IonicContact NZ-OE1 3.73Å; K238-E241 IonicContact NZ-OE2 3.55Å; K238-E241 PolarHBondContact NZ-OE2 2.9Å; K238-T242 WeakPolarHBondContact CA-O 3.35Å; K238-L243 HydrophobicContact CB-CD1 3.76Å; K238-L243 HydrophobicContact CG-CD1 4.48Å; K238-L257 HydrophobicContact CB-CB 4.21Å; K238-L257 PolarHBondContact N-O 2.92Å; K238-L257 PolarHBondContact O-N 3.12Å; K238-L282 HydrophobicContact CB-CD2 4Å; K238-L282 HydrophobicContact CB-CG 3.98Å |
| 239 | R | 92.5 | Very high | 89.1 | Confident | 54 Ų | 54 | 50 Ų | 50 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.6 | 171.4 | -179 | 171.3 | -61.5 | 170.2 | 2.7 | 107.6 | L237 E241 T242 I251 Q253 D256 | L237-R239 HydrophobicContact CD2-CB 3.97Å; R239-E241 PolarHBondContact O-N 3.23Å; R239-E241 VanDerWaalsContact O-N 3.16Å; R239-T242 PolarHBondContact N-O 2.94Å; R239-T242 PolarHBondContact O-N 3.36Å; R239-I251 PolarHBondContact NH2-O 3.03Å; R239-Q253 VanDerWaalsContact NE-OE1 3.17Å; R239-D256 WeakPolarHBondContact CB-OD1 3.31Å; R239-D256 WeakPolarHBondContact CG-OD1 3.43Å; R239-D256 IonicContact CZ-OD1 2.7Å; R239-D256 IonicContact CZ-OD2 2.76Å; R239-D256 IonicContact NE-OD1 3.46Å; R239-D256 PolarHBondContact NE-OD1 3.4Å; R239-D256 IonicContact NE-OD2 2.69Å; R239-D256 IonicContact NH2-OD1 3.86Å; R239-D256 PolarHBondContact NH2-OD1 3.44Å; R239-D256 IonicContact NH2-OD2 3.53Å; R239-D256 PolarHBondContact NH2-OD2 3.37Å |
| 240 | E | 86.4 | Confident | 89.7 | Confident | 171 Ų | 171 | 49.3 Ų | 49.3 | 80% | 0.799 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -120.2 | -171.2 | -56.8 | 174.6 | 176.8 | 0 | 0 | 109.4 | K238 | K238-E240 WeakPolarHBondContact CE-O 3.22Å; K238-E240 WeakPolarHBondContact CG-O 3.4Å |
| 241 | E | 84.8 | Confident | 90.5 | Very high | 156 Ų | 156 | 50.2 Ų | 50.2 | 73% | 0.729 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -2.2 | 176.4 | -65.5 | -52.2 | 146.2 | 0 | 0 | 115 | K238 R239 | K238-E241 IonicContact NZ-OE1 3.73Å; K238-E241 IonicContact NZ-OE2 3.55Å; K238-E241 PolarHBondContact NZ-OE2 2.9Å; R239-E241 PolarHBondContact O-N 3.23Å; R239-E241 VanDerWaalsContact O-N 3.16Å |
| 242 | T | 88.8 | Confident | 91 | Very high | 94 Ų | 94 | 44 Ų | 44 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.7 | -177.8 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | K238 R239 | K238-T242 WeakPolarHBondContact CA-O 3.35Å; R239-T242 PolarHBondContact N-O 2.94Å; R239-T242 PolarHBondContact O-N 3.36Å |
| 243 | L | 90.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.4 | 171.3 | -168.1 | 72.3 | 0 | 0 | 0 | 109.3 | R236 K238 L282 T284 T287 L289 | R236-L243 HydrophobicContact CB-CD1 4.11Å; K238-L243 HydrophobicContact CB-CD1 3.76Å; K238-L243 HydrophobicContact CG-CD1 4.48Å; L243-L282 HydrophobicContact CD1-CB 4.24Å; L243-L282 HydrophobicContact CD1-CD2 4.32Å; L243-L282 HydrophobicContact CD1-CG 4.2Å; L243-T284 HydrophobicContact CD2-CG2 4.42Å; L243-T287 HydrophobicContact CB-CG2 4.23Å; L243-T287 HydrophobicContact CD2-CG2 3.94Å; L243-L289 HydrophobicContact CB-CD1 4.44Å; L243-L289 HydrophobicContact CD2-CD1 3.89Å; L243-L289 HydrophobicContact CG-CD1 3.82Å |
| 244 | K | 91.5 | Very high | 91.4 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160 | 177 | 62.5 | 178.3 | 177.4 | 177.8 | 0 | 112.3 | R236 L237 P246 | R236-K244 WeakPolarHBondContact CA-O 3.25Å; L237-K244 HydrophobicContact CB-CG 4.49Å; L237-K244 HydrophobicContact CD2-CG 4.36Å; L237-K244 PolarHBondContact N-O 3.15Å; L237-K244 PolarHBondContact O-N 3.04Å; K244-P246 WeakPolarHBondContact O-CD 3.35Å |
| 245 | V | 91.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 119.8 | 164.1 | 178 | 0 | 0 | 0 | 0 | 107.3 | L289 V318 | V245-L289 HydrophobicContact CG2-CD1 4.3Å; V245-L289 HydrophobicContact CG2-CD2 4.16Å; V245-V318 HydrophobicContact CG1-CB 4.01Å; V245-V318 HydrophobicContact CG1-CG1 4.08Å |
| 246 | P | 89.7 | Confident | 91.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 132.4 | -178.8 | 23 | -27.1 | 0 | 0 | 0 | 110.6 | I221 C234 L237 K244 T250 K312 | I221-P246 HydrophobicContact CD1-CB 3.34Å; I221-P246 HydrophobicContact CD1-CG 4.2Å; C234-P246 HydrophobicContact CB-CG 4.3Å; C234-P246 WeakPolarHBondContact O-CG 3.24Å; L237-P246 HydrophobicContact CB-CB 4.19Å; L237-P246 HydrophobicContact CB-CG 4.27Å; K244-P246 WeakPolarHBondContact O-CD 3.35Å; P246-T250 HydrophobicContact CB-CG2 4.4Å; P246-K312 WeakPolarHBondContact O-CE 3.48Å; P246-K312 PolarHBondContact O-NZ 2.74Å |
| 247 | S | 87.8 | Confident | 91.8 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 163.6 | 168.9 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | D249 T250 | S247-D249 PolarHBondContact O-N 3.31Å; S247-T250 PolarHBondContact N-OG1 2.88Å; S247-T250 VanDerWaalsContact O-CB 3.27Å; S247-T250 WeakPolarHBondContact O-CB 3.42Å; S247-T250 PolarHBondContact O-N 3.43Å; S247-T250 PolarHBondContact O-OG1 3.28Å; S247-T250 PolarHBondContact OG-N 3.31Å; S247-T250 PolarHBondContact OG-OG1 3.42Å |
| 248 | P | 86.3 | Confident | 91.8 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 16% | 0.156 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.5 | 173.3 | -25.4 | 35.1 | 0 | 0 | 0 | 113.5 | I221 K222 T250 E313 | I221-P248 PolarHBondContact N-O 3.31Å; K222-P248 HydrophobicContact CB-CB 4.08Å; K222-P248 WeakPolarHBondContact CB-O 3.33Å; K222-P248 HydrophobicContact CD-CB 4.5Å; K222-P248 WeakPolarHBondContact CG-O 3.47Å; K222-P248 PolarHBondContact N-O 3.34Å; P248-T250 VanDerWaalsContact C-N 3.33Å; P248-E313 HydrophobicContact CG-CG 4.15Å; P248-E313 WeakPolarHBondContact CG-OE1 3.4Å |
| 249 | D | 90.2 | Very high | 91.9 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.5 | 179 | -57.1 | -51.3 | 0 | 0 | 0 | 113.6 | K222 S247 I251 | K222-D249 WeakPolarHBondContact CE-OD1 3.23Å; K222-D249 IonicContact NZ-OD1 2.75Å; K222-D249 PolarHBondContact NZ-OD1 3.17Å; S247-D249 PolarHBondContact O-N 3.31Å; D249-I251 PolarHBondContact O-N 3.13Å; D249-I251 VanDerWaalsContact O-N 3.12Å |
| 250 | T | 92 | Very high | 92 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 118 | 177.6 | -68.8 | 0 | 0 | 0 | 0 | 109.5 | A220 I221 L237 P246 S247 P248 | A220-T250 WeakPolarHBondContact CA-O 3.29Å; I221-T250 HydrophobicContact CD1-CG2 4.15Å; I221-T250 PolarHBondContact N-O 3.41Å; L237-T250 HydrophobicContact CD1-CG2 4.03Å; P246-T250 HydrophobicContact CB-CG2 4.4Å; S247-T250 PolarHBondContact N-OG1 2.88Å; S247-T250 VanDerWaalsContact O-CB 3.27Å; S247-T250 WeakPolarHBondContact O-CB 3.42Å; S247-T250 PolarHBondContact O-N 3.43Å; S247-T250 PolarHBondContact O-OG1 3.28Å; S247-T250 PolarHBondContact OG-N 3.31Å; S247-T250 PolarHBondContact OG-OG1 3.42Å; P248-T250 VanDerWaalsContact C-N 3.33Å |
| 251 | I | 95.4 | Very high | 92.2 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -75.2 | 124.1 | 176.5 | -54.9 | -56.3 | 0 | 0 | 0 | 109.9 | D218 L219 A220 R239 D249 | D218-I251 VanDerWaalsContact CA-CG2 3.48Å; D218-I251 HydrophobicContact CB-CG2 4.41Å; L219-I251 WeakPolarHBondContact O-CA 3.5Å; A220-I251 HydrophobicContact CB-CD1 3.85Å; R239-I251 PolarHBondContact NH2-O 3.03Å; D249-I251 PolarHBondContact O-N 3.13Å; D249-I251 VanDerWaalsContact O-N 3.12Å |
| 252 | I | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -78 | 136.2 | 179.2 | -58.5 | 177.3 | 0 | 0 | 0 | 109.5 | V211 D218 L219 I221 V224 L227 | V211-I252 HydrophobicContact CB-CG2 4.28Å; V211-I252 HydrophobicContact CG1-CG2 3.75Å; V211-I252 HydrophobicContact CG2-CG2 3.81Å; D218-I252 PolarHBondContact N-O 3.47Å; L219-I252 PolarHBondContact O-N 3.3Å; I221-I252 HydrophobicContact CD1-CG1 4.48Å; I221-I252 HydrophobicContact CG1-CD1 3.77Å; I221-I252 HydrophobicContact CG1-CG1 3.63Å; V224-I252 HydrophobicContact CG2-CD1 3.86Å; L227-I252 HydrophobicContact CD1-CD1 3.67Å |
| 253 | Q | 95.7 | Very high | 92.2 | Very high | 76 Ų | 76 | 31.9 Ų | 31.9 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | trans | -117 | 155.3 | 173.6 | -71.3 | 178.5 | -10 | 0 | 0 | 110.9 | R239 G255 D256 | R239-Q253 VanDerWaalsContact NE-OE1 3.17Å; Q253-G255 PolarHBondContact O-N 2.66Å; Q253-D256 PolarHBondContact N-OD2 3.23Å; Q253-D256 WeakPolarHBondContact O-CB 3.16Å; Q253-D256 PolarHBondContact O-N 2.92Å | ||
| 254 | L | 95 | Very high | 91.9 | Very high | 84 Ų | 84 | 32.9 Ų | 32.9 | 44% | 0.44 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 134.8 | 174.1 | -82.3 | 162.2 | 0 | 0 | 0 | 108.9 | H217 D256 | H217-L254 HydrophobicContact CB-CD1 4.23Å; H217-L254 HydrophobicContact CB-CG 4.24Å; H217-L254 PolarHBondContact ND1-N 3.08Å; L254-D256 VanDerWaalsContact C-N 3.34Å |
| 255 | G | 93.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -7.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V211 Q253 | V211-G255 PolarHBondContact O-N 3.36Å; Q253-G255 PolarHBondContact O-N 2.66Å |
| 256 | D | 96 | Very high | 91.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -56.2 | 144 | 171.1 | -81.4 | -18.2 | 0 | 0 | 0 | 110.7 | R210 V211 L237 R239 Q253 L254 | R210-D256 CarbonylContact C-O 3.35Å; R210-D256 WeakPolarHBondContact CA-O 3.49Å; V211-D256 HydrophobicContact CB-CB 4.39Å; V211-D256 HydrophobicContact CG2-CB 3.95Å; V211-D256 WeakPolarHBondContact CG2-O 3.36Å; V211-D256 PolarHBondContact N-O 3.48Å; L237-D256 HydrophobicContact CG-CB 4.49Å; R239-D256 WeakPolarHBondContact CB-OD1 3.31Å; R239-D256 WeakPolarHBondContact CG-OD1 3.43Å; R239-D256 IonicContact CZ-OD1 2.7Å; R239-D256 IonicContact CZ-OD2 2.76Å; R239-D256 IonicContact NE-OD1 3.46Å; R239-D256 PolarHBondContact NE-OD1 3.4Å; R239-D256 IonicContact NE-OD2 2.69Å; R239-D256 IonicContact NH2-OD1 3.86Å; R239-D256 PolarHBondContact NH2-OD1 3.44Å; R239-D256 IonicContact NH2-OD2 3.53Å; R239-D256 PolarHBondContact NH2-OD2 3.37Å; Q253-D256 PolarHBondContact N-OD2 3.23Å; Q253-D256 WeakPolarHBondContact O-CB 3.16Å; Q253-D256 PolarHBondContact O-N 2.92Å; L254-D256 VanDerWaalsContact C-N 3.34Å | ||
| 257 | L | 95.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.3 | 171.9 | -54.6 | 178.9 | 0 | 0 | 0 | 109.7 | I209 R210 L237 K238 V278 T280 L282 | I209-L257 CarbonylContact O-C 3.16Å; I209-L257 WeakPolarHBondContact O-CA 3.43Å; R210-L257 HydrophobicContact CB-CD2 3.6Å; R210-L257 HydrophobicContact CG-CD2 3.84Å; L237-L257 CarbonylContact C-O 3.22Å; L237-L257 VanDerWaalsContact CA-O 3.31Å; L237-L257 WeakPolarHBondContact CA-O 3.34Å; K238-L257 HydrophobicContact CB-CB 4.21Å; K238-L257 PolarHBondContact N-O 2.92Å; K238-L257 PolarHBondContact O-N 3.12Å; L257-V278 HydrophobicContact CD2-CG2 3.93Å; L257-T280 HydrophobicContact CD1-CG2 3.76Å; L257-L282 HydrophobicContact CB-CD1 3.95Å; L257-L282 HydrophobicContact CB-CD2 4.07Å; L257-L282 HydrophobicContact CB-CG 4.49Å; L257-L282 HydrophobicContact CD1-CD1 4.03Å; L257-L282 WeakPolarHBondContact O-CD2 3.41Å |
| 258 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.2 | 179.6 | -55.2 | -176.8 | 0 | 0 | 0 | 110.4 | N208 I209 V211 L227 L237 L260 I274 | N208-L258 CarbonylContact C-O 3.59Å; N208-L258 VanDerWaalsContact CA-O 3.29Å; N208-L258 WeakPolarHBondContact CA-O 3.09Å; I209-L258 PolarHBondContact N-O 3.09Å; I209-L258 PolarHBondContact O-N 3.34Å; V211-L258 HydrophobicContact CG2-CD1 3.89Å; V211-L258 HydrophobicContact CG2-CG 3.96Å; L227-L258 HydrophobicContact CD1-CD1 3.91Å; L227-L258 HydrophobicContact CD2-CD1 4.38Å; L237-L258 HydrophobicContact CB-CD2 4.02Å; L237-L258 HydrophobicContact CD1-CD2 3.5Å; L237-L258 HydrophobicContact CG-CD2 3.66Å; L258-L260 HydrophobicContact CB-CD2 3.95Å; L258-L260 HydrophobicContact CB-CG 4.36Å; L258-I274 HydrophobicContact CD1-CD1 4.5Å; L258-I274 HydrophobicContact CD1-CG2 4.22Å |
| 259 | H | 95 | Very high | 92.1 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 105.7 | 170.2 | -169.4 | 89.4 | 0 | 0 | 0 | 110.2 | T206 N208 S235 R236 L282 | T206-H259 WeakPolarHBondContact CB-NE2 3.38Å; N208-H259 PolarHBondContact OD1-ND1 3.08Å; S235-H259 PolarHBondContact N-O 3.36Å; S235-H259 PolarHBondContact OG-CD2 3.35Å; S235-H259 PolarHBondContact OG-O 3.46Å; R236-H259 HydrophobicContact CB-CB 3.98Å; R236-H259 PolarHBondContact NH2-CD2 3.48Å; R236-H259 PolarHBondContact NH2-CE1 3.02Å; R236-H259 VanDerWaalsContact NH2-CE1 3.29Å; R236-H259 PolarHBondContact NH2-NE2 2.91Å; R236-H259 PolarHBondContact O-N 2.79Å; H259-L282 HydrophobicContact CB-CB 4.33Å; H259-L282 HydrophobicContact CB-CD2 3.87Å |
| 260 | L | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142 | -176.4 | -55.5 | -169 | 0 | 0 | 0 | 111.2 | T206 I207 I209 L227 I232 C234 L258 L267 A270 I274 | T206-L260 WeakPolarHBondContact CA-O 3.24Å; I207-L260 HydrophobicContact CG1-CB 4.23Å; I207-L260 PolarHBondContact N-O 3.21Å; I207-L260 VanDerWaalsContact N-O 3.1Å; I207-L260 PolarHBondContact O-N 2.97Å; I209-L260 HydrophobicContact CD1-CD1 3.74Å; L227-L260 HydrophobicContact CD2-CD1 4.23Å; L227-L260 HydrophobicContact CD2-CD2 3.75Å; I232-L260 HydrophobicContact CG2-CB 3.84Å; I232-L260 HydrophobicContact CG2-CD1 4.11Å; I232-L260 HydrophobicContact CG2-CD2 4.24Å; I232-L260 HydrophobicContact CG2-CG 4.29Å; C234-L260 HydrophobicContact CB-CD2 3.72Å; L258-L260 HydrophobicContact CB-CD2 3.95Å; L258-L260 HydrophobicContact CB-CG 4.36Å; L260-L267 HydrophobicContact CB-CD2 3.7Å; L260-A270 HydrophobicContact CD1-CB 3.74Å; L260-I274 HydrophobicContact CD1-CD1 4.06Å |
| 261 | V | 91.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.7 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | I204 K205 T206 I232 I233 R321 | I204-V261 HydrophobicContact CG2-CG1 3.35Å; K205-V261 WeakPolarHBondContact O-CA 3.39Å; T206-V261 HydrophobicContact CG2-CB 4.27Å; T206-V261 HydrophobicContact CG2-CG1 4.07Å; T206-V261 HydrophobicContact CG2-CG2 3.83Å; I232-V261 WeakPolarHBondContact CA-O 3.37Å; I233-V261 HydrophobicContact CB-CB 4.47Å; I233-V261 PolarHBondContact N-O 3.2Å; I233-V261 PolarHBondContact O-N 3.2Å; V261-R321 HydrophobicContact CG1-CG 3.83Å |
| 262 | G | 90.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -177.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | K205 | K205-G262 PolarHBondContact N-O 3.26Å; K205-G262 PolarHBondContact O-N 3.39Å; K205-G262 VanDerWaalsContact O-N 3.1Å |
| 263 | Q | 83.8 | Confident | 92.2 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | trans | -75.6 | 148.9 | 168.4 | -64.1 | -156.1 | 13.6 | 0 | 0 | 110.4 | A202 A265 D266 L267 | A202-Q263 HydrophobicContact CB-CB 4.32Å; Q263-A265 VanDerWaalsContact C-N 3.28Å; Q263-A265 PolarHBondContact O-N 3.37Å; Q263-D266 PolarHBondContact O-N 2.98Å; Q263-L267 WeakPolarHBondContact O-CG 3.07Å; Q263-L267 PolarHBondContact O-N 2.85Å | ||
| 264 | P | 83.7 | Confident | 92.2 | Very high | 35 Ų | 35 | 38 Ų | 38 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.6 | -39.3 | -176.5 | -26.1 | 36.2 | 0 | 0 | 0 | 114.2 | A202 K205 L267 H268 | A202-P264 HydrophobicContact CB-CG 3.71Å; K205-P264 HydrophobicContact CD-CG 4.1Å; K205-P264 HydrophobicContact CG-CG 4.23Å; P264-L267 PolarHBondContact O-N 3.31Å; P264-H268 WeakPolarHBondContact O-CB 3.34Å; P264-H268 PolarHBondContact O-N 3.49Å |
| 265 | A | 86 | Confident | 92.2 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q263 H268 N269 | Q263-A265 VanDerWaalsContact C-N 3.28Å; Q263-A265 PolarHBondContact O-N 3.37Å; A265-H268 PolarHBondContact O-N 3.45Å; A265-N269 VanDerWaalsContact O-CG 3.3Å; A265-N269 PolarHBondContact O-N 3.19Å; A265-N269 VanDerWaalsContact O-N 3.08Å; A265-N269 PolarHBondContact O-ND2 3.34Å |
| 266 | D | 89.2 | Confident | 92.1 | Very high | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -40.9 | 177.8 | -60.3 | -54.6 | 0 | 0 | 0 | 111 | K231 I232 Q263 H268 N269 A270 | K231-D266 HydrophobicContact CB-CB 4.24Å; K231-D266 WeakPolarHBondContact CD-OD1 3.28Å; K231-D266 IonicContact NZ-OD1 2.84Å; I232-D266 HydrophobicContact CD1-CB 3.94Å; I232-D266 WeakPolarHBondContact CD1-O 3.49Å; I232-D266 HydrophobicContact CG1-CB 3.82Å; Q263-D266 PolarHBondContact O-N 2.98Å; D266-H268 VanDerWaalsContact C-N 3.33Å; D266-H268 PolarHBondContact O-N 3Å; D266-N269 WeakPolarHBondContact O-CB 3.27Å; D266-N269 PolarHBondContact O-N 3.03Å; D266-A270 PolarHBondContact O-N 3.4Å |
| 267 | L | 91.9 | Very high | 92 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.8 | -69.1 | -178.7 | 0 | 0 | 0 | 112.3 | K205 I207 I232 L260 Q263 P264 A270 Q271 | K205-L267 HydrophobicContact CB-CD1 3.81Å; I207-L267 HydrophobicContact CD1-CB 3.77Å; I207-L267 HydrophobicContact CD1-CD2 4.28Å; I207-L267 HydrophobicContact CD1-CG 4.45Å; I207-L267 HydrophobicContact CG1-CB 4.23Å; I207-L267 HydrophobicContact CG1-CD1 4.29Å; I207-L267 HydrophobicContact CG1-CD2 4.03Å; I207-L267 HydrophobicContact CG1-CG 4.4Å; I207-L267 HydrophobicContact CG2-CD1 4.27Å; I232-L267 HydrophobicContact CG2-CD2 4.14Å; L260-L267 HydrophobicContact CB-CD2 3.7Å; Q263-L267 WeakPolarHBondContact O-CG 3.07Å; Q263-L267 PolarHBondContact O-N 2.85Å; P264-L267 PolarHBondContact O-N 3.31Å; L267-A270 WeakPolarHBondContact O-CB 3.5Å; L267-A270 PolarHBondContact O-N 3.29Å; L267-Q271 PolarHBondContact O-N 2.95Å |
| 268 | H | 91.9 | Very high | 91.8 | Very high | 97 Ų | 97 | 41.8 Ų | 41.8 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 174.8 | -176.4 | 59.5 | 0 | 0 | 0 | 111.7 | P264 A265 D266 A270 Q271 L272 | P264-H268 WeakPolarHBondContact O-CB 3.34Å; P264-H268 PolarHBondContact O-N 3.49Å; A265-H268 PolarHBondContact O-N 3.45Å; D266-H268 VanDerWaalsContact C-N 3.33Å; D266-H268 PolarHBondContact O-N 3Å; H268-A270 VanDerWaalsContact C-N 3.26Å; H268-A270 PolarHBondContact O-N 3.19Å; H268-Q271 WeakPolarHBondContact O-CB 3.44Å; H268-Q271 PolarHBondContact O-N 3.35Å; H268-L272 WeakPolarHBondContact O-CG 3.25Å; H268-L272 PolarHBondContact O-N 3.35Å |
| 269 | N | 92.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 173.3 | -67.5 | -26.6 | 0 | 0 | 0 | 111.7 | I226 A265 D266 L272 V273 | I226-N269 VanDerWaalsContact CD1-C 3.45Å; I226-N269 HydrophobicContact CD1-CB 3.9Å; A265-N269 VanDerWaalsContact O-CG 3.3Å; A265-N269 PolarHBondContact O-N 3.19Å; A265-N269 VanDerWaalsContact O-N 3.08Å; A265-N269 PolarHBondContact O-ND2 3.34Å; D266-N269 WeakPolarHBondContact O-CB 3.27Å; D266-N269 PolarHBondContact O-N 3.03Å; N269-L272 PolarHBondContact O-N 2.94Å; N269-V273 WeakPolarHBondContact O-CG2 3.44Å; N269-V273 PolarHBondContact O-N 3.35Å |
| 270 | A | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I209 I226 I232 L260 D266 L267 H268 V273 I274 | I209-A270 HydrophobicContact CD1-CB 4.3Å; I226-A270 VanDerWaalsContact CD1-CA 3.47Å; I226-A270 HydrophobicContact CD1-CB 4.04Å; I226-A270 HydrophobicContact CG1-CB 4.07Å; I232-A270 HydrophobicContact CD1-CB 3.62Å; L260-A270 HydrophobicContact CD1-CB 3.74Å; D266-A270 PolarHBondContact O-N 3.4Å; L267-A270 WeakPolarHBondContact O-CB 3.5Å; L267-A270 PolarHBondContact O-N 3.29Å; H268-A270 VanDerWaalsContact C-N 3.26Å; H268-A270 PolarHBondContact O-N 3.19Å; A270-V273 PolarHBondContact O-N 3.37Å; A270-I274 HydrophobicContact CB-CD1 4.03Å; A270-I274 VanDerWaalsContact O-CB 3.23Å; A270-I274 WeakPolarHBondContact O-CB 3.36Å; A270-I274 WeakPolarHBondContact O-CG1 3.46Å; A270-I274 PolarHBondContact O-N 3Å |
| 271 | Q | 94.7 | Very high | 89.8 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 173.1 | -175.7 | -173.3 | 5.2 | 0 | 0 | 111.1 | I209 L267 H268 V273 I274 G275 | I209-Q271 HydrophobicContact CD1-CB 3.99Å; L267-Q271 PolarHBondContact O-N 2.95Å; H268-Q271 WeakPolarHBondContact O-CB 3.44Å; H268-Q271 PolarHBondContact O-N 3.35Å; Q271-V273 PolarHBondContact O-N 3.41Å; Q271-V273 VanDerWaalsContact O-N 3.16Å; Q271-I274 PolarHBondContact O-N 2.86Å; Q271-G275 CarbonylContact C-O 3.23Å; Q271-G275 WeakPolarHBondContact CG-O 3.3Å; Q271-G275 PolarHBondContact O-N 3.4Å; Q271-G275 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 93.4 | Very high | 89.3 | Confident | 123 Ų | 123 | 56 Ų | 56 | 64% | 0.644 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.6 | -32.9 | -179.8 | -68.5 | 173.2 | 0 | 0 | 0 | 113.5 | H268 N269 | H268-L272 WeakPolarHBondContact O-CG 3.25Å; H268-L272 PolarHBondContact O-N 3.35Å; N269-L272 PolarHBondContact O-N 2.94Å |
| 273 | V | 93.5 | Very high | 88.6 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 39% | 0.394 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -91.2 | -37.7 | -177.3 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | N213 I226 N269 A270 Q271 | N213-V273 VanDerWaalsContact CB-O 3.31Å; N213-V273 WeakPolarHBondContact CB-O 3.32Å; N213-V273 PolarHBondContact ND2-O 3.45Å; I226-V273 HydrophobicContact CD1-CG2 4.38Å; I226-V273 HydrophobicContact CG2-CG1 4.38Å; N269-V273 WeakPolarHBondContact O-CG2 3.44Å; N269-V273 PolarHBondContact O-N 3.35Å; A270-V273 PolarHBondContact O-N 3.37Å; Q271-V273 PolarHBondContact O-N 3.41Å; Q271-V273 VanDerWaalsContact O-N 3.16Å |
| 274 | I | 95.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -92.1 | -42.1 | -168.2 | -60.3 | 170.3 | 0 | 0 | 0 | 111.9 | I209 V211 E212 N213 L216 I226 L227 L258 L260 A270 Q271 | I209-I274 HydrophobicContact CG2-CB 3.95Å; I209-I274 HydrophobicContact CG2-CG2 3.63Å; V211-I274 HydrophobicContact CB-CG2 4.4Å; V211-I274 HydrophobicContact CG2-CG2 3.85Å; E212-I274 PolarHBondContact N-O 3.43Å; N213-I274 WeakPolarHBondContact CB-O 3.44Å; N213-I274 PolarHBondContact N-O 2.85Å; L216-I274 HydrophobicContact CD1-CB 4.11Å; L216-I274 HydrophobicContact CD1-CG1 3.91Å; L216-I274 HydrophobicContact CD1-CG2 4.11Å; I226-I274 HydrophobicContact CG2-CD1 4.19Å; I226-I274 HydrophobicContact CG2-CG1 4.28Å; L227-I274 HydrophobicContact CD1-CD1 4.24Å; L227-I274 HydrophobicContact CD2-CD1 3.7Å; L227-I274 HydrophobicContact CG-CD1 4Å; L258-I274 HydrophobicContact CD1-CD1 4.5Å; L258-I274 HydrophobicContact CD1-CG2 4.22Å; L260-I274 HydrophobicContact CD1-CD1 4.06Å; A270-I274 HydrophobicContact CB-CD1 4.03Å; A270-I274 VanDerWaalsContact O-CB 3.23Å; A270-I274 WeakPolarHBondContact O-CB 3.36Å; A270-I274 WeakPolarHBondContact O-CG1 3.46Å; A270-I274 PolarHBondContact O-N 3Å; Q271-I274 PolarHBondContact O-N 2.86Å |
| 275 | G | 94.2 | Very high | 87.8 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | -154.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R210 Q271 | R210-G275 WeakPolarHBondContact O-CA 3.41Å; Q271-G275 CarbonylContact C-O 3.23Å; Q271-G275 WeakPolarHBondContact CG-O 3.3Å; Q271-G275 PolarHBondContact O-N 3.4Å; Q271-G275 VanDerWaalsContact O-N 3.1Å |
| 276 | Q | 93.2 | Very high | 87.2 | Confident | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.2 | -170.4 | -160.9 | -179.2 | 11.2 | 0 | 0 | 112.9 | I209 R210 | I209-Q276 CarbonylContact C-O 3.19Å; I209-Q276 WeakPolarHBondContact CA-O 3.28Å; R210-Q276 PolarHBondContact N-O 2.88Å; R210-Q276 PolarHBondContact O-N 3.4Å |
| 277 | E | 93.2 | Very high | 86.9 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.5 | 167 | -176.6 | 173.7 | -171.8 | 0 | 0 | 110 | I207 N208 | I207-E277 HydrophobicContact CB-CG 4.42Å; I207-E277 VanDerWaalsContact CG2-OE1 3.31Å; I207-E277 WeakPolarHBondContact CG2-OE1 3.41Å; N208-E277 CarbonylContact O-C 3.58Å; N208-E277 WeakPolarHBondContact O-CA 3.35Å |
| 278 | V | 92.2 | Very high | 86.6 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.097 | 40% | 0.395 | C | S | . | . | trans | -129.6 | 145.9 | -178.3 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | N208 R210 L257 T280 | N208-V278 HydrophobicContact CB-CG2 3.99Å; N208-V278 WeakPolarHBondContact CB-O 3.33Å; N208-V278 PolarHBondContact O-N 3Å; R210-V278 HydrophobicContact CB-CG1 3.93Å; L257-V278 HydrophobicContact CD2-CG2 3.93Å; V278-T280 PolarHBondContact O-N 2.87Å | ||
| 279 | D | 84.7 | Confident | 86.5 | Confident | 167 Ų | 167 | 65.2 Ų | 65.2 | 89% | 0.893 | 38% | 0.376 | S | S | * | . | trans | -78.8 | -5 | 176.6 | -66.3 | -40.8 | 0 | 0 | 0 | 113.4 | S281 | D279-S281 PolarHBondContact O-N 2.86Å; D279-S281 VanDerWaalsContact O-N 3.13Å | ||
| 280 | T | 80.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | trans | -56.7 | 120.1 | 179.9 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | N208 L257 V278 L282 | N208-T280 PolarHBondContact ND2-O 2.71Å; L257-T280 HydrophobicContact CD1-CG2 3.76Å; V278-T280 PolarHBondContact O-N 2.87Å; T280-L282 VanDerWaalsContact O-CD1 3.26Å; T280-L282 WeakPolarHBondContact O-CD1 3.5Å; T280-L282 PolarHBondContact O-N 3.46Å | ||
| 281 | S | 76.8 | Confident | 86.2 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | trans | -73.1 | 119.5 | -177.4 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | D279 S283 | D279-S281 PolarHBondContact O-N 2.86Å; D279-S281 VanDerWaalsContact O-N 3.13Å; S281-S283 PolarHBondContact O-N 3.38Å; S281-S283 WeakPolarHBondContact OG-CB 3.46Å; S281-S283 PolarHBondContact OG-N 3.44Å | ||
| 282 | L | 80.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | trans | -91.2 | 42.3 | 168.9 | -82.4 | 70.2 | 0 | 0 | 0 | 110.9 | N208 R236 K238 L243 L257 H259 T280 | N208-L282 HydrophobicContact CB-CD1 4.13Å; R236-L282 PolarHBondContact NH1-O 3.45Å; K238-L282 HydrophobicContact CB-CD2 4Å; K238-L282 HydrophobicContact CB-CG 3.98Å; L243-L282 HydrophobicContact CD1-CB 4.24Å; L243-L282 HydrophobicContact CD1-CD2 4.32Å; L243-L282 HydrophobicContact CD1-CG 4.2Å; L257-L282 HydrophobicContact CB-CD1 3.95Å; L257-L282 HydrophobicContact CB-CD2 4.07Å; L257-L282 HydrophobicContact CB-CG 4.49Å; L257-L282 HydrophobicContact CD1-CD1 4.03Å; L257-L282 WeakPolarHBondContact O-CD2 3.41Å; H259-L282 HydrophobicContact CB-CB 4.33Å; H259-L282 HydrophobicContact CB-CD2 3.87Å; T280-L282 VanDerWaalsContact O-CD1 3.26Å; T280-L282 WeakPolarHBondContact O-CD1 3.5Å; T280-L282 PolarHBondContact O-N 3.46Å | ||
| 283 | S | 77.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | trans | -63.4 | 142.4 | 179.8 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | S281 K285 | S281-S283 PolarHBondContact O-N 3.38Å; S281-S283 WeakPolarHBondContact OG-CB 3.46Å; S281-S283 PolarHBondContact OG-N 3.44Å; S283-K285 WeakPolarHBondContact OG-CB 3.29Å; S283-K285 PolarHBondContact OG-N 2.86Å | ||
| 284 | T | 75.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 15% | 0.153 | 38% | 0.378 | C | S | . | . | trans | -78.6 | -10.9 | 171.3 | 59 | 0 | 0 | 0 | 0 | 112.3 | L243 G286 T287 L289 V291 | L243-T284 HydrophobicContact CD2-CG2 4.42Å; T284-G286 PolarHBondContact O-N 3.11Å; T284-T287 WeakPolarHBondContact CA-OG1 3.48Å; T284-T287 PolarHBondContact O-N 2.85Å; T284-T287 VanDerWaalsContact O-N 3.08Å; T284-T287 PolarHBondContact O-OG1 3.49Å; T284-L289 WeakPolarHBondContact CB-O 3.46Å; T284-L289 HydrophobicContact CG2-CB 3.97Å; T284-V291 HydrophobicContact CG2-CG2 3.89Å | ||
| 285 | K | 74.9 | Confident | 85.1 | Confident | 184 Ų | 184 | 70 Ų | 70 | 80% | 0.8 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 123.5 | 178.6 | -70.4 | -173.5 | 177.8 | -177.3 | 0 | 110 | S283 T287 | S283-K285 WeakPolarHBondContact OG-CB 3.29Å; S283-K285 PolarHBondContact OG-N 2.86Å; K285-T287 VanDerWaalsContact C-N 3.34Å |
| 286 | G | 71.8 | Confident | 84.7 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 93% | 0.928 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T284 | T284-G286 PolarHBondContact O-N 3.11Š|
| 287 | T | 83.7 | Confident | 84 | Confident | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -111.6 | 174.2 | 173.9 | 72 | 0 | 0 | 0 | 0 | 110.8 | L243 T284 K285 L289 | L243-T287 HydrophobicContact CB-CG2 4.23Å; L243-T287 HydrophobicContact CD2-CG2 3.94Å; T284-T287 WeakPolarHBondContact CA-OG1 3.48Å; T284-T287 PolarHBondContact O-N 2.85Å; T284-T287 VanDerWaalsContact O-N 3.08Å; T284-T287 PolarHBondContact O-OG1 3.49Å; K285-T287 VanDerWaalsContact C-N 3.34Å; T287-L289 PolarHBondContact O-N 2.8Å; T287-L289 PolarHBondContact OG1-N 3.48Å |
| 288 | D | 85.5 | Confident | 83.3 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.9 | -3.9 | 172 | 68.8 | -36 | 0 | 0 | 0 | 113.4 | P349 | D288-P349 WeakPolarHBondContact O-CD 3.45Š|
| 289 | L | 90.6 | Very high | 82.2 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | trans | -90.4 | 151.9 | 174.3 | -60.3 | -177.3 | 0 | 0 | 0 | 111.7 | R236 L243 V245 T284 T287 G347 R348 | R236-L289 HydrophobicContact CG-CD1 4.46Å; L243-L289 HydrophobicContact CB-CD1 4.44Å; L243-L289 HydrophobicContact CD2-CD1 3.89Å; L243-L289 HydrophobicContact CG-CD1 3.82Å; V245-L289 HydrophobicContact CG2-CD1 4.3Å; V245-L289 HydrophobicContact CG2-CD2 4.16Å; T284-L289 WeakPolarHBondContact CB-O 3.46Å; T284-L289 HydrophobicContact CG2-CB 3.97Å; T287-L289 PolarHBondContact O-N 2.8Å; T287-L289 PolarHBondContact OG1-N 3.48Å; L289-G347 CarbonylContact C-O 3.59Å; L289-G347 WeakPolarHBondContact CA-O 3.5Å; L289-R348 HydrophobicContact CD2-CG 3.89Å | ||
| 290 | R | 89.1 | Confident | 81.9 | Confident | 138 Ų | 138 | 62.3 Ų | 62.3 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.4 | 169.8 | -73.4 | -168.1 | -179.2 | 177.5 | 1.2 | 111.1 | V346 G347 P349 I352 | R290-V346 WeakPolarHBondContact O-CA 3.18Å; R290-G347 PolarHBondContact N-O 3.4Å; R290-G347 PolarHBondContact O-N 2.91Å; R290-P349 HydrophobicContact CG-CG 4.13Å; R290-I352 HydrophobicContact CB-CD1 4.08Å; R290-I352 WeakPolarHBondContact O-CD1 3.47Å |
| 291 | V | 90.2 | Very high | 81.8 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119 | 167.7 | -175.5 | 0 | 0 | 0 | 0 | 107 | T284 L345 V346 | T284-V291 HydrophobicContact CG2-CG2 3.89Å; V291-L345 CarbonylContact C-O 3.55Å; V291-L345 VanDerWaalsContact CA-O 3.28Å; V291-L345 WeakPolarHBondContact CA-O 3.31Å; V291-V346 HydrophobicContact CG1-CG2 4.26Å; V291-V346 HydrophobicContact CG2-CG1 4.32Å; V291-V346 HydrophobicContact CG2-CG2 4.01Å |
| 292 | E | 88.7 | Confident | 81.6 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.5 | 178.6 | -67.4 | -157.6 | 175.1 | 0 | 0 | 112.1 | L345 I352 | E292-L345 PolarHBondContact N-O 2.97Å; E292-L345 PolarHBondContact O-N 3.44Å; E292-I352 HydrophobicContact CB-CD1 4.43Å; E292-I352 HydrophobicContact CB-CG2 3.93Å; E292-I352 HydrophobicContact CG-CD1 4.31Å; E292-I352 HydrophobicContact CG-CG2 4.23Å |
| 293 | R | 88.7 | Confident | 80.8 | Confident | 141 Ų | 141 | 59.8 Ų | 59.8 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118 | 176.3 | -50.9 | -168.6 | 71 | -172.9 | -2.9 | 108.6 | I342 L343 N344 | R293-I342 HydrophobicContact CB-CG2 4.02Å; R293-L343 WeakPolarHBondContact CA-O 3.42Å; R293-N344 WeakPolarHBondContact CG-OD1 3.47Å; R293-N344 PolarHBondContact NE-OD1 3.32Å |
| 294 | V | 89.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.8 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | L343 L345 A356 L359 G360 N361 | V294-L343 PolarHBondContact N-O 2.88Å; V294-L343 PolarHBondContact O-N 2.89Å; V294-L345 HydrophobicContact CB-CD1 3.93Å; V294-L345 HydrophobicContact CB-CG 4.28Å; V294-L345 HydrophobicContact CG2-CD1 3.51Å; V294-L345 HydrophobicContact CG2-CG 4.09Å; V294-A356 HydrophobicContact CG1-CB 4.14Å; V294-A356 HydrophobicContact CG2-CB 3.97Å; V294-L359 HydrophobicContact CB-CD1 4.47Å; V294-L359 HydrophobicContact CG1-CB 4.09Å; V294-L359 HydrophobicContact CG1-CD1 3.91Å; V294-G360 VanDerWaalsContact CG1-O 3.26Å; V294-G360 WeakPolarHBondContact CG1-O 2.96Å; V294-N361 HydrophobicContact CG1-CB 4.11Å |
| 295 | V | 85.5 | Confident | 81 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.9 | 177.8 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | T297 D341 I342 N361 Q363 L366 | V295-T297 PolarHBondContact O-N 3.35Å; V295-D341 WeakPolarHBondContact CA-O 3.45Å; V295-D341 WeakPolarHBondContact CG1-O 3.46Å; V295-I342 HydrophobicContact CG1-CG1 4.32Å; V295-I342 HydrophobicContact CG2-CG1 4.27Å; V295-N361 PolarHBondContact N-OD1 2.91Å; V295-Q363 HydrophobicContact CG2-CG 4.39Å; V295-L366 HydrophobicContact CB-CD1 3.91Å; V295-L366 HydrophobicContact CG1-CD1 3.35Å; V295-L366 HydrophobicContact CG2-CD1 4.39Å |
| 296 | V | 85.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -68.9 | 114.3 | 178.7 | -176 | 0 | 0 | 0 | 0 | 109.4 | V301 L302 L337 G340 D341 L343 L359 | V296-V301 HydrophobicContact CG1-CG2 3.72Å; V296-L302 HydrophobicContact CG1-CD2 3.74Å; V296-L337 HydrophobicContact CG1-CB 4.41Å; V296-L337 HydrophobicContact CG2-CD1 4.36Å; V296-L337 HydrophobicContact CG2-CD2 4.36Å; V296-G340 PolarHBondContact O-N 3.29Å; V296-D341 HydrophobicContact CB-CB 4.28Å; V296-D341 HydrophobicContact CG2-CB 3.88Å; V296-D341 PolarHBondContact N-O 3.44Å; V296-L343 HydrophobicContact CG2-CD1 3.6Å; V296-L343 HydrophobicContact CG2-CD2 4.4Å; V296-L343 HydrophobicContact CG2-CG 3.8Å; V296-L359 HydrophobicContact CG2-CD2 4.34Å | ||
| 297 | T | 78.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | trans | -134.6 | -9.8 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | V295 F339 L359 G360 N361 A362 L366 | V295-T297 PolarHBondContact O-N 3.35Å; T297-F339 HydrophobicContact CG2-CE2 4.34Å; T297-L359 PolarHBondContact N-O 2.85Å; T297-G360 WeakPolarHBondContact OG1-CA 3.29Å; T297-N361 PolarHBondContact OG1-N 3.25Å; T297-A362 PolarHBondContact OG1-N 3.49Å; T297-A362 VanDerWaalsContact OG1-N 3.12Å; T297-L366 HydrophobicContact CG2-CD1 3.86Å; T297-L366 HydrophobicContact CG2-CD2 4.43Å; T297-L366 HydrophobicContact CG2-CG 3.92Å | ||
| 298 | N | 79 | Confident | 82.2 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -86.2 | 125.7 | -179.8 | -170.7 | -15.9 | 0 | 0 | 0 | 111.3 | N300 V301 L302 V358 L359 | N298-N300 PolarHBondContact O-N 3.17Å; N298-N300 PolarHBondContact OD1-N 2.88Å; N298-N300 VanDerWaalsContact OD1-N 3.11Å; N298-V301 HydrophobicContact CB-CG2 4.28Å; N298-V301 WeakPolarHBondContact O-CG2 3.28Å; N298-V301 PolarHBondContact O-N 2.94Å; N298-L302 WeakPolarHBondContact O-CG 3.39Å; N298-V358 WeakPolarHBondContact CB-O 3.3Å; N298-V358 PolarHBondContact ND2-O 2.96Å; N298-L359 VanDerWaalsContact CB-C 3.43Å; N298-L359 VanDerWaalsContact CB-O 3.27Å; N298-L359 WeakPolarHBondContact CB-O 3.27Å; N298-L359 PolarHBondContact N-O 3.19Å | ||
| 299 | E | 70.3 | Confident | 82.4 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -55.8 | -36.3 | 179.3 | -69 | 173.8 | -155.3 | 0 | 0 | 112.8 | V301 L302 Y423 | E299-V301 PolarHBondContact O-N 2.72Å; E299-V301 VanDerWaalsContact O-N 3.13Å; E299-L302 PolarHBondContact O-N 2.98Å; E299-Y423 HydrophobicContact CG-CE1 4.43Å; E299-Y423 HydrophobicContact CG-CE2 4.41Å; E299-Y423 WeakPolarHBondContact CG-OH 3.46Å; E299-Y423 VanDerWaalsContact OE1-CE2 3.3Å; E299-Y423 WeakPolarHBondContact OE1-CE2 3.37Å; E299-Y423 VanDerWaalsContact OE1-CZ 3.28Å; E299-Y423 PolarHBondContact OE1-OH 3.3Å |
| 300 | N | 77 | Confident | 82.3 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -69.7 | -13.8 | -172.2 | -66.1 | -26.6 | 0 | 0 | 0 | 113.6 | N298 K304 | N298-N300 PolarHBondContact O-N 3.17Å; N298-N300 PolarHBondContact OD1-N 2.88Å; N298-N300 VanDerWaalsContact OD1-N 3.11Å; N300-K304 WeakPolarHBondContact O-CD 3.42Å; N300-K304 WeakPolarHBondContact O-CE 3.23Å; N300-K304 PolarHBondContact O-NZ 3.47Å |
| 301 | V | 79.5 | Confident | 82.3 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -106.9 | -8.7 | 177.6 | -58 | 0 | 0 | 0 | 0 | 113.3 | V296 N298 E299 K304 L309 L337 V358 L359 | V296-V301 HydrophobicContact CG1-CG2 3.72Å; N298-V301 HydrophobicContact CB-CG2 4.28Å; N298-V301 WeakPolarHBondContact O-CG2 3.28Å; N298-V301 PolarHBondContact O-N 2.94Å; E299-V301 PolarHBondContact O-N 2.72Å; E299-V301 VanDerWaalsContact O-N 3.13Å; V301-K304 PolarHBondContact O-N 3.27Å; V301-L309 HydrophobicContact CB-CD1 4.48Å; V301-L309 HydrophobicContact CB-CD2 4.38Å; V301-L309 HydrophobicContact CG1-CD2 4.03Å; V301-L337 HydrophobicContact CB-CD1 4.36Å; V301-L337 HydrophobicContact CG2-CD1 4.39Å; V301-V358 HydrophobicContact CG1-CG1 3.88Å; V301-V358 WeakPolarHBondContact CG1-O 3.35Å; V301-L359 HydrophobicContact CG2-CD2 4.32Å |
| 302 | L | 71.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 135.4 | -179 | -58.3 | -176 | 0 | 0 | 0 | 110.8 | V296 N298 E299 K304 F339 Y423 | V296-L302 HydrophobicContact CG1-CD2 3.74Å; N298-L302 WeakPolarHBondContact O-CG 3.39Å; E299-L302 PolarHBondContact O-N 2.98Å; L302-K304 PolarHBondContact O-N 3.4Å; L302-F339 HydrophobicContact CD1-CB 4.06Å; L302-F339 HydrophobicContact CD1-CD2 4.32Å; L302-F339 HydrophobicContact CD2-CB 3.94Å; L302-Y423 HydrophobicContact CD1-CE1 4.06Å |
| 303 | G | 65.2 | Low | 81.8 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -13.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S336 L337 | G303-S336 WeakPolarHBondContact O-CB 3.27Å; G303-L337 PolarHBondContact N-O 3.46Å |
| 304 | K | 77.3 | Confident | 81.7 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -73.6 | 144.3 | 174.5 | -65.8 | -173.7 | 176.6 | 164.5 | 0 | 110.9 | N300 V301 L302 L309 S336 L337 | N300-K304 WeakPolarHBondContact O-CD 3.42Å; N300-K304 WeakPolarHBondContact O-CE 3.23Å; N300-K304 PolarHBondContact O-NZ 3.47Å; V301-K304 PolarHBondContact O-N 3.27Å; L302-K304 PolarHBondContact O-N 3.4Å; K304-L309 HydrophobicContact CB-CD2 4.23Å; K304-L309 HydrophobicContact CB-CG 4.44Å; K304-L309 HydrophobicContact CD-CD2 3.88Å; K304-S336 VanDerWaalsContact O-CA 3.3Å; K304-S336 WeakPolarHBondContact O-CA 3.07Å; K304-L337 PolarHBondContact O-N 3.32Å | ||
| 305 | R | 78.6 | Confident | 81.6 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 46% | 0.457 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 149.9 | 173.5 | -58.2 | -178.6 | 177.8 | -160.4 | 5.6 | 110 | R307 D308 G333 D334 I335 | R305-R307 PolarHBondContact O-N 3.38Å; R305-D308 WeakPolarHBondContact CB-OD2 3.47Å; R305-D308 PolarHBondContact O-N 3.48Å; R305-D308 VanDerWaalsContact O-N 3.15Å; R305-G333 WeakPolarHBondContact CB-O 3.18Å; R305-D334 IonicContact NH1-OD1 4Å; R305-D334 PolarHBondContact NH1-OD1 3.4Å; R305-I335 WeakPolarHBondContact CA-O 3.46Å |
| 306 | I | 86.7 | Confident | 81.8 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -41.1 | 177.1 | -73 | 174.6 | 0 | 0 | 0 | 111.3 | D308 L309 I319 L322 A331 G333 I335 L337 | I306-D308 VanDerWaalsContact C-N 3.31Å; I306-D308 PolarHBondContact O-N 2.61Å; I306-L309 PolarHBondContact O-N 2.91Å; I306-I319 HydrophobicContact CD1-CD1 4.11Å; I306-I319 HydrophobicContact CG1-CD1 4.1Å; I306-I319 HydrophobicContact CG2-CD1 3.83Å; I306-L322 HydrophobicContact CD1-CD1 4.3Å; I306-A331 HydrophobicContact CD1-CB 3.99Å; I306-G333 PolarHBondContact N-O 2.92Å; I306-I335 HydrophobicContact CD1-CB 4.37Å; I306-I335 PolarHBondContact N-O 3.32Å; I306-L337 HydrophobicContact CD1-CD2 4.13Å; I306-L337 HydrophobicContact CG1-CD2 3.81Å; I306-L337 HydrophobicContact CG1-CG 4.22Å |
| 307 | R | 84 | Confident | 82.2 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -59.6 | -40.1 | 178.5 | -170.4 | 176.9 | -65.2 | 157.9 | 5.1 | 112.3 | D230 R305 L309 H310 G333 D334 | D230-R307 IonicContact OD1-NH2 3.52Å; D230-R307 PolarHBondContact OD1-NH2 3.34Å; D230-R307 IonicContact OD2-CZ 2.84Å; D230-R307 IonicContact OD2-NH2 3.66Å; D230-R307 PolarHBondContact OD2-NH2 2.95Å; R305-R307 PolarHBondContact O-N 3.38Å; R307-L309 PolarHBondContact O-N 3.44Å; R307-H310 PolarHBondContact O-N 3.38Å; R307-G333 WeakPolarHBondContact CB-O 3.47Å; R307-G333 PolarHBondContact N-O 3.21Å; R307-D334 IonicContact NH1-OD1 3.57Å |
| 308 | D | 85.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -69.9 | -14.4 | -176.9 | -54.1 | -24.8 | 0 | 0 | 0 | 113 | R305 I306 H310 | R305-D308 WeakPolarHBondContact CB-OD2 3.47Å; R305-D308 PolarHBondContact O-N 3.48Å; R305-D308 VanDerWaalsContact O-N 3.15Å; I306-D308 VanDerWaalsContact C-N 3.31Å; I306-D308 PolarHBondContact O-N 2.61Å; D308-H310 VanDerWaalsContact C-ND1 3.32Å; D308-H310 PolarHBondContact O-CE1 3.44Å; D308-H310 VanDerWaalsContact O-CE1 3.26Å; D308-H310 PolarHBondContact O-ND1 2.91Å |
| 309 | L | 89.5 | Confident | 83.6 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -87.5 | -16.2 | 178.9 | -62.6 | 168.8 | 0 | 0 | 0 | 112.7 | V301 K304 I306 R307 F311 L337 | V301-L309 HydrophobicContact CB-CD1 4.48Å; V301-L309 HydrophobicContact CB-CD2 4.38Å; V301-L309 HydrophobicContact CG1-CD2 4.03Å; K304-L309 HydrophobicContact CB-CD2 4.23Å; K304-L309 HydrophobicContact CB-CG 4.44Å; K304-L309 HydrophobicContact CD-CD2 3.88Å; I306-L309 PolarHBondContact O-N 2.91Å; R307-L309 PolarHBondContact O-N 3.44Å; L309-F311 HydrophobicContact CB-CD1 4.3Å; L309-F311 HydrophobicContact CB-CD2 3.86Å; L309-F311 HydrophobicContact CB-CE1 4.01Å; L309-F311 HydrophobicContact CB-CE2 3.53Å; L309-F311 HydrophobicContact CB-CG 4.24Å; L309-F311 HydrophobicContact CB-CZ 3.62Å; L309-F311 HydrophobicContact CD1-CD2 4.39Å; L309-F311 HydrophobicContact CD1-CE2 3.42Å; L309-F311 VanDerWaalsContact CD1-CE2 3.42Å; L309-F311 HydrophobicContact CD1-CZ 3.63Å; L309-F311 HydrophobicContact CD2-CZ 4.37Å; L309-F311 HydrophobicContact CG-CE2 4.06Å; L309-F311 HydrophobicContact CG-CZ 4.06Å; L309-F311 PolarHBondContact O-N 3.23Å; L309-F311 VanDerWaalsContact O-N 3.16Å; L309-L337 HydrophobicContact CD1-CD1 3.44Å; L309-L337 VanDerWaalsContact CD1-CD1 3.44Å; L309-L337 HydrophobicContact CD1-CG 4.33Å |
| 310 | H | 88.3 | Confident | 84.5 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.2 | 174.4 | -52.4 | 89.1 | 0 | 0 | 0 | 113.8 | R307 D308 K312 E313 R314 | R307-H310 PolarHBondContact O-N 3.38Å; D308-H310 VanDerWaalsContact C-ND1 3.32Å; D308-H310 PolarHBondContact O-CE1 3.44Å; D308-H310 VanDerWaalsContact O-CE1 3.26Å; D308-H310 PolarHBondContact O-ND1 2.91Å; H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.45Å; H310-E313 VanDerWaalsContact C-OE2 3.3Å; H310-E313 VanDerWaalsContact CA-OE2 3.23Å; H310-E313 WeakPolarHBondContact CA-OE2 3.41Å; H310-E313 PolarHBondContact O-N 3.25Å; H310-R314 WeakPolarHBondContact O-CB 3.48Å; H310-R314 PolarHBondContact O-N 2.97Å |
| 311 | F | 90 | Very high | 85.1 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -32.9 | -175.6 | -66.6 | -48.9 | 0 | 0 | 0 | 113.1 | L309 Y315 V317 I319 V355 V358 L359 | L309-F311 HydrophobicContact CB-CD1 4.3Å; L309-F311 HydrophobicContact CB-CD2 3.86Å; L309-F311 HydrophobicContact CB-CE1 4.01Å; L309-F311 HydrophobicContact CB-CE2 3.53Å; L309-F311 HydrophobicContact CB-CG 4.24Å; L309-F311 HydrophobicContact CB-CZ 3.62Å; L309-F311 HydrophobicContact CD1-CD2 4.39Å; L309-F311 HydrophobicContact CD1-CE2 3.42Å; L309-F311 VanDerWaalsContact CD1-CE2 3.42Å; L309-F311 HydrophobicContact CD1-CZ 3.63Å; L309-F311 HydrophobicContact CD2-CZ 4.37Å; L309-F311 HydrophobicContact CG-CE2 4.06Å; L309-F311 HydrophobicContact CG-CZ 4.06Å; L309-F311 PolarHBondContact O-N 3.23Å; L309-F311 VanDerWaalsContact O-N 3.16Å; F311-Y315 HydrophobicContact CD1-CD2 4.04Å; F311-Y315 HydrophobicContact CD1-CE2 4.21Å; F311-Y315 WeakPolarHBondContact O-CB 3.36Å; F311-Y315 PolarHBondContact O-N 3.19Å; F311-V317 CarbonylContact C-O 3.55Å; F311-V317 PolarHBondContact O-N 3.37Å; F311-I319 HydrophobicContact CD2-CD1 3.8Å; F311-I319 HydrophobicContact CD2-CG1 4.49Å; F311-I319 HydrophobicContact CE2-CD1 4.1Å; F311-V355 HydrophobicContact CB-CG2 4.39Å; F311-V355 HydrophobicContact CD1-CB 4.38Å; F311-V355 HydrophobicContact CD1-CG1 3.77Å; F311-V355 HydrophobicContact CD1-CG2 3.82Å; F311-V355 HydrophobicContact CD2-CG1 4.3Å; F311-V355 HydrophobicContact CE1-CG1 3.86Å; F311-V355 HydrophobicContact CE1-CG2 4.43Å; F311-V355 HydrophobicContact CE2-CG1 4.36Å; F311-V355 HydrophobicContact CG-CG1 4Å; F311-V355 HydrophobicContact CG-CG2 4.32Å; F311-V355 HydrophobicContact CZ-CG1 4.15Å; F311-V358 HydrophobicContact CE1-CB 4.19Å; F311-V358 HydrophobicContact CE1-CG1 3.85Å; F311-V358 HydrophobicContact CZ-CG1 4.18Å; F311-L359 HydrophobicContact CE2-CD2 3.74Å; F311-L359 HydrophobicContact CE2-CG 4.29Å; F311-L359 HydrophobicContact CZ-CD2 3.59Å; F311-L359 HydrophobicContact CZ-CG 3.91Å |
| 312 | K | 84.4 | Confident | 85.3 | Confident | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.6 | -45.2 | -178 | -167.5 | 175.8 | 179.7 | -177.8 | 0 | 110.9 | P246 H310 D316 V317 V318 | P246-K312 WeakPolarHBondContact O-CE 3.48Å; P246-K312 PolarHBondContact O-NZ 2.74Å; H310-K312 VanDerWaalsContact C-N 3.25Å; H310-K312 PolarHBondContact O-N 3.45Å; K312-D316 WeakPolarHBondContact O-CA 3.16Å; K312-D316 PolarHBondContact O-N 3.14Å; K312-V317 VanDerWaalsContact CA-O 3.26Å; K312-V317 WeakPolarHBondContact CA-O 3.22Å; K312-V317 PolarHBondContact N-O 3.24Å; K312-V318 HydrophobicContact CD-CG2 4.48Å |
| 313 | E | 83.8 | Confident | 85.5 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.3 | -36.1 | -179.4 | -58.2 | 77.7 | -168.4 | 0 | 0 | 112.2 | P248 H310 | P248-E313 HydrophobicContact CG-CG 4.15Å; P248-E313 WeakPolarHBondContact CG-OE1 3.4Å; H310-E313 VanDerWaalsContact C-OE2 3.3Å; H310-E313 VanDerWaalsContact CA-OE2 3.23Å; H310-E313 WeakPolarHBondContact CA-OE2 3.41Å; H310-E313 PolarHBondContact O-N 3.25Å |
| 314 | R | 86.3 | Confident | 85.6 | Confident | 186 Ų | 186 | 57.4 Ų | 57.4 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -90 | -28.9 | -172.6 | -167.2 | 174.1 | -176.1 | -176.8 | 3.4 | 114.1 | H310 | H310-R314 WeakPolarHBondContact O-CB 3.48Å; H310-R314 PolarHBondContact O-N 2.97Å |
| 315 | Y | 88.1 | Confident | 84.7 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -129.6 | -1.1 | -171.8 | -58.8 | -82.9 | 0 | 0 | 0 | 114.2 | F311 V317 A351 A354 V355 | F311-Y315 HydrophobicContact CD1-CD2 4.04Å; F311-Y315 HydrophobicContact CD1-CE2 4.21Å; F311-Y315 WeakPolarHBondContact O-CB 3.36Å; F311-Y315 PolarHBondContact O-N 3.19Å; Y315-V317 PolarHBondContact O-N 2.9Å; Y315-A351 WeakPolarHBondContact O-CB 3Å; Y315-A354 HydrophobicContact CD1-CB 3.77Å; Y315-A354 HydrophobicContact CE1-CB 3.89Å; Y315-V355 HydrophobicContact CD1-CG2 4.31Å; Y315-V355 HydrophobicContact CD2-CG2 3.67Å; Y315-V355 HydrophobicContact CE2-CG2 4.42Å; Y315-V355 HydrophobicContact CG-CG2 3.6Å |
| 316 | D | 89.2 | Confident | 83.6 | Confident | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 56 | 35.2 | -170 | -57.4 | -40.2 | 0 | 0 | 0 | 113.2 | K312 R348 | K312-D316 WeakPolarHBondContact O-CA 3.16Å; K312-D316 PolarHBondContact O-N 3.14Å; D316-R348 IonicContact OD2-CZ 2.91Å; D316-R348 IonicContact OD2-NH2 3.72Å; D316-R348 PolarHBondContact OD2-NH2 3.18Å |
| 317 | V | 93.2 | Very high | 82 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -116 | 130.3 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | F311 K312 Y315 L345 V346 A351 I352 V355 | F311-V317 CarbonylContact C-O 3.55Å; F311-V317 PolarHBondContact O-N 3.37Å; K312-V317 VanDerWaalsContact CA-O 3.26Å; K312-V317 WeakPolarHBondContact CA-O 3.22Å; K312-V317 PolarHBondContact N-O 3.24Å; Y315-V317 PolarHBondContact O-N 2.9Å; V317-L345 HydrophobicContact CG1-CB 3.9Å; V317-L345 HydrophobicContact CG1-CD1 4.34Å; V317-L345 HydrophobicContact CG1-CD2 4.2Å; V317-L345 HydrophobicContact CG1-CG 4.38Å; V317-V346 WeakPolarHBondContact CA-O 3.37Å; V317-A351 HydrophobicContact CG2-CB 3.72Å; V317-I352 HydrophobicContact CG2-CG1 4.47Å; V317-V355 HydrophobicContact CB-CG2 3.89Å; V317-V355 HydrophobicContact CG1-CB 4.46Å; V317-V355 HydrophobicContact CG1-CG1 4.4Å; V317-V355 HydrophobicContact CG1-CG2 4.3Å; V317-V355 HydrophobicContact CG2-CB 4.38Å; V317-V355 HydrophobicContact CG2-CG2 3.73Å | ||
| 318 | V | 93.6 | Very high | 81.4 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.5 | 173.1 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | I233 S235 V245 K312 S320 V346 | I233-V318 HydrophobicContact CG2-CG2 3.59Å; S235-V318 WeakPolarHBondContact O-CG1 3.29Å; V245-V318 HydrophobicContact CG1-CB 4.01Å; V245-V318 HydrophobicContact CG1-CG1 4.08Å; K312-V318 HydrophobicContact CD-CG2 4.48Å; V318-S320 PolarHBondContact O-N 2.84Å; V318-V346 HydrophobicContact CG1-CB 3.86Å; V318-V346 HydrophobicContact CG1-CG2 4.46Å; V318-V346 PolarHBondContact N-O 3.41Å; V318-V346 PolarHBondContact O-N 3.33Å |
| 319 | I | 93.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 106.8 | 169.5 | -55.4 | 167.3 | 0 | 0 | 0 | 106.3 | I306 F311 A331 L343 L345 | I306-I319 HydrophobicContact CD1-CD1 4.11Å; I306-I319 HydrophobicContact CG1-CD1 4.1Å; I306-I319 HydrophobicContact CG2-CD1 3.83Å; F311-I319 HydrophobicContact CD2-CD1 3.8Å; F311-I319 HydrophobicContact CD2-CG1 4.49Å; F311-I319 HydrophobicContact CE2-CD1 4.1Å; I319-A331 HydrophobicContact CB-CB 3.93Å; I319-A331 HydrophobicContact CG2-CB 3.4Å; I319-A331 WeakPolarHBondContact O-CB 3.47Å; I319-L343 HydrophobicContact CD1-CD1 3.99Å; I319-L343 HydrophobicContact CG2-CB 4.07Å; I319-L343 HydrophobicContact CG2-CD2 4.24Å; I319-L345 HydrophobicContact CB-CD2 4.39Å; I319-L345 HydrophobicContact CG1-CD2 3.59Å |
| 320 | S | 90.6 | Very high | 80.6 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -37.2 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | V318 N344 | V318-S320 PolarHBondContact O-N 2.84Å; S320-N344 PolarHBondContact N-O 3.44Å; S320-N344 WeakPolarHBondContact OG-CB 3.4Å; S320-N344 PolarHBondContact OG-O 3.46Å |
| 321 | R | 88.4 | Confident | 80.5 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 152.1 | -175.1 | -53.3 | -178 | -163.4 | 171.3 | 0.5 | 110.2 | I204 V261 E328 L329 N344 | I204-R321 HydrophobicContact CG2-CG 4.25Å; V261-R321 HydrophobicContact CG1-CG 3.83Å; R321-E328 HydrophobicContact CB-CG 4.16Å; R321-E328 WeakPolarHBondContact CD-OE1 3.37Å; R321-E328 IonicContact CZ-OE1 3.37Å; R321-E328 IonicContact NE-OE1 3.83Å; R321-E328 IonicContact NH1-OE1 3.53Å; R321-E328 PolarHBondContact NH1-OE1 3Å; R321-E328 IonicContact NH1-OE2 2.8Å; R321-L329 WeakPolarHBondContact CA-O 3.29Å; R321-N344 HydrophobicContact CB-CB 4.2Å; R321-N344 PolarHBondContact O-N 3.06Å |
| 322 | L | 83.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.7 | 175.2 | 174.9 | 148.3 | 0 | 0 | 0 | 108.4 | I306 R324 E328 L329 A331 I335 L337 D341 L343 | I306-L322 HydrophobicContact CD1-CD1 4.3Å; L322-R324 HydrophobicContact CD2-CB 3.86Å; L322-E328 CarbonylContact O-C 3.58Å; L322-E328 WeakPolarHBondContact O-CA 3.4Å; L322-L329 HydrophobicContact CD2-CB 4.25Å; L322-L329 HydrophobicContact CD2-CD1 3.8Å; L322-L329 HydrophobicContact CD2-CG 4.43Å; L322-L329 PolarHBondContact N-O 2.92Å; L322-L329 PolarHBondContact O-N 3.29Å; L322-A331 HydrophobicContact CB-CB 4.22Å; L322-I335 HydrophobicContact CD1-CG2 3.85Å; L322-L337 HydrophobicContact CD1-CD2 4.04Å; L322-D341 HydrophobicContact CD1-CB 4.46Å; L322-L343 HydrophobicContact CB-CD2 3.95Å; L322-L343 HydrophobicContact CD1-CD2 3.5Å; L322-L343 HydrophobicContact CG-CD2 3.71Å |
| 323 | N | 74.6 | Confident | 79.8 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.9 | 171 | -172.3 | -52.8 | 0 | 0 | 0 | 109.4 | G326 V327 I342 | N323-G326 VanDerWaalsContact OD1-CA 3.22Å; N323-G326 WeakPolarHBondContact OD1-CA 3.2Å; N323-G326 PolarHBondContact OD1-N 3.22Å; N323-V327 VanDerWaalsContact CA-O 3.3Å; N323-V327 WeakPolarHBondContact CA-O 3.38Å; N323-I342 HydrophobicContact CB-CB 4.23Å; N323-I342 PolarHBondContact N-O 3.41Å; N323-I342 PolarHBondContact O-N 2.95Å |
| 324 | R | 68.5 | Low | 79.3 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.8 | 176.9 | -178.5 | 172.4 | -66.2 | 167.8 | 1.3 | 109.1 | L322 G326 V327 S336 Q338 D341 | L322-R324 HydrophobicContact CD2-CB 3.86Å; R324-G326 PolarHBondContact O-N 2.91Å; R324-G326 VanDerWaalsContact O-N 3.1Å; R324-V327 PolarHBondContact N-O 3.21Å; R324-V327 PolarHBondContact O-N 3.33Å; R324-S336 PolarHBondContact NH2-O 2.72Å; R324-Q338 VanDerWaalsContact CZ-CD 3.47Å; R324-D341 WeakPolarHBondContact CB-OD1 3.31Å; R324-D341 WeakPolarHBondContact CG-OD1 3Å; R324-D341 IonicContact CZ-OD1 3.77Å; R324-D341 IonicContact CZ-OD2 3.99Å; R324-D341 IonicContact NE-OD1 3.66Å; R324-D341 PolarHBondContact NE-OD1 2.99Å; R324-D341 IonicContact NE-OD2 2.66Å; R324-D341 IonicContact NH2-OD1 3.66Å; R324-D341 IonicContact NH2-OD2 2.92Å; R324-D341 PolarHBondContact NH2-OD2 3.41Å |
| 325 | A | 58.2 | Low | 78.7 | Confident | 108 Ų | 108 | 39 Ų | 39 | 89% | 0.893 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 326 | G | 55 | Low | 78.1 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 65% | 0.649 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -7.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N323 R324 | N323-G326 VanDerWaalsContact OD1-CA 3.22Å; N323-G326 WeakPolarHBondContact OD1-CA 3.2Å; N323-G326 PolarHBondContact OD1-N 3.22Å; R324-G326 PolarHBondContact O-N 2.91Å; R324-G326 VanDerWaalsContact O-N 3.1Å |
| 327 | V | 53.5 | Low | 77.6 | Confident | 80 Ų | 80 | 35.9 Ų | 35.9 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.8 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | N323 R324 L329 | N323-V327 VanDerWaalsContact CA-O 3.3Å; N323-V327 WeakPolarHBondContact CA-O 3.38Å; R324-V327 PolarHBondContact N-O 3.21Å; R324-V327 PolarHBondContact O-N 3.33Å; V327-L329 HydrophobicContact CG1-CD2 3.98Å; V327-L329 HydrophobicContact CG1-CG 4.41Å |
| 328 | E | 70.7 | Confident | 76.6 | Confident | 67 Ų | 67 | 40 Ų | 40 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.2 | 176 | -161 | 169.7 | -160.3 | 0 | 0 | 110.3 | I204 R321 L322 | I204-E328 HydrophobicContact CG1-CG 4.46Å; R321-E328 HydrophobicContact CB-CG 4.16Å; R321-E328 WeakPolarHBondContact CD-OE1 3.37Å; R321-E328 IonicContact CZ-OE1 3.37Å; R321-E328 IonicContact NE-OE1 3.83Å; R321-E328 IonicContact NH1-OE1 3.53Å; R321-E328 PolarHBondContact NH1-OE1 3Å; R321-E328 IonicContact NH1-OE2 2.8Å; L322-E328 CarbonylContact O-C 3.58Å; L322-E328 WeakPolarHBondContact O-CA 3.4Å |
| 329 | L | 75.4 | Confident | 75.7 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151 | -173.4 | -60.3 | 173.8 | 0 | 0 | 0 | 109.9 | R321 L322 V327 A331 | R321-L329 WeakPolarHBondContact CA-O 3.29Å; L322-L329 HydrophobicContact CD2-CB 4.25Å; L322-L329 HydrophobicContact CD2-CD1 3.8Å; L322-L329 HydrophobicContact CD2-CG 4.43Å; L322-L329 PolarHBondContact N-O 2.92Å; L322-L329 PolarHBondContact O-N 3.29Å; V327-L329 HydrophobicContact CG1-CD2 3.98Å; V327-L329 HydrophobicContact CG1-CG 4.41Å; L329-A331 PolarHBondContact O-N 3.05Å |
| 330 | V | 83.7 | Confident | 74.8 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.109 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 128.6 | 164.6 | -175.5 | 0 | 0 | 0 | 0 | 106.1 | I204 I233 S332 I335 | I204-V330 HydrophobicContact CD1-CB 4.1Å; I204-V330 HydrophobicContact CD1-CG2 3.22Å; I233-V330 HydrophobicContact CD1-CG1 4.39Å; I233-V330 HydrophobicContact CG1-CG1 3.68Å; V330-S332 PolarHBondContact O-N 2.8Å; V330-I335 WeakPolarHBondContact O-CD1 3.46Å |
| 331 | A | 85.5 | Confident | 74.1 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | trans | -79.1 | 65.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | I306 I319 L322 L329 | I306-A331 HydrophobicContact CD1-CB 3.99Å; I319-A331 HydrophobicContact CB-CB 3.93Å; I319-A331 HydrophobicContact CG2-CB 3.4Å; I319-A331 WeakPolarHBondContact O-CB 3.47Å; L322-A331 HydrophobicContact CB-CB 4.22Å; L329-A331 PolarHBondContact O-N 3.05Å | ||
| 332 | S | 81.5 | Confident | 74 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | trans | -62.4 | 152.1 | 179 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | D230 V330 D334 I335 | D230-S332 WeakPolarHBondContact O-CB 3.44Å; V330-S332 PolarHBondContact O-N 2.8Å; S332-D334 PolarHBondContact O-N 3.42Å; S332-D334 VanDerWaalsContact O-N 3.13Å; S332-I335 PolarHBondContact O-N 2.87Å; S332-I335 VanDerWaalsContact O-N 3.14Å; S332-I335 VanDerWaalsContact OG-CD1 3.31Å; S332-I335 WeakPolarHBondContact OG-CD1 3.47Å; S332-I335 VanDerWaalsContact OG-CG1 3.28Å; S332-I335 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 333 | G | 79.6 | Confident | 74.3 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D230 R305 I306 R307 | D230-G333 PolarHBondContact OD1-N 3.36Å; R305-G333 WeakPolarHBondContact CB-O 3.18Å; I306-G333 PolarHBondContact N-O 2.92Å; R307-G333 WeakPolarHBondContact CB-O 3.47Å; R307-G333 PolarHBondContact N-O 3.21Å |
| 334 | D | 73.6 | Confident | 75.2 | Confident | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.3 | -178.1 | -74.1 | -30.8 | 0 | 0 | 0 | 115.6 | R305 R307 S332 S336 | R305-D334 IonicContact NH1-OD1 4Å; R305-D334 PolarHBondContact NH1-OD1 3.4Å; R307-D334 IonicContact NH1-OD1 3.57Å; S332-D334 PolarHBondContact O-N 3.42Å; S332-D334 VanDerWaalsContact O-N 3.13Å; D334-S336 PolarHBondContact O-N 2.93Å |
| 335 | I | 72.5 | Confident | 76.4 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 125.9 | 178.7 | -74.7 | 164.2 | 0 | 0 | 0 | 109.3 | R305 I306 L322 V330 S332 | R305-I335 WeakPolarHBondContact CA-O 3.46Å; I306-I335 HydrophobicContact CD1-CB 4.37Å; I306-I335 PolarHBondContact N-O 3.32Å; L322-I335 HydrophobicContact CD1-CG2 3.85Å; V330-I335 WeakPolarHBondContact O-CD1 3.46Å; S332-I335 PolarHBondContact O-N 2.87Å; S332-I335 VanDerWaalsContact O-N 3.14Å; S332-I335 VanDerWaalsContact OG-CD1 3.31Å; S332-I335 WeakPolarHBondContact OG-CD1 3.47Å; S332-I335 VanDerWaalsContact OG-CG1 3.28Å; S332-I335 WeakPolarHBondContact OG-CG1 3.38Å |
| 336 | S | 76.8 | Confident | 78.1 | Confident | 49 Ų | 49 | 33.6 Ų | 33.6 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -79.1 | 133.8 | 168.8 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | G303 K304 R324 D334 | G303-S336 WeakPolarHBondContact O-CB 3.27Å; K304-S336 VanDerWaalsContact O-CA 3.3Å; K304-S336 WeakPolarHBondContact O-CA 3.07Å; R324-S336 PolarHBondContact NH2-O 2.72Å; D334-S336 PolarHBondContact O-N 2.93Å |
| 337 | L | 78.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 139.8 | 179 | -66.5 | -177.2 | 0 | 0 | 0 | 111.5 | V296 V301 G303 K304 I306 L309 L322 L343 L359 | V296-L337 HydrophobicContact CG1-CB 4.41Å; V296-L337 HydrophobicContact CG2-CD1 4.36Å; V296-L337 HydrophobicContact CG2-CD2 4.36Å; V301-L337 HydrophobicContact CB-CD1 4.36Å; V301-L337 HydrophobicContact CG2-CD1 4.39Å; G303-L337 PolarHBondContact N-O 3.46Å; K304-L337 PolarHBondContact O-N 3.32Å; I306-L337 HydrophobicContact CD1-CD2 4.13Å; I306-L337 HydrophobicContact CG1-CD2 3.81Å; I306-L337 HydrophobicContact CG1-CG 4.22Å; L309-L337 HydrophobicContact CD1-CD1 3.44Å; L309-L337 VanDerWaalsContact CD1-CD1 3.44Å; L309-L337 HydrophobicContact CD1-CG 4.33Å; L322-L337 HydrophobicContact CD1-CD2 4.04Å; L337-L343 HydrophobicContact CD1-CD1 4.37Å; L337-L343 HydrophobicContact CD2-CD1 3.9Å; L337-L343 HydrophobicContact CD2-CD2 4Å; L337-L359 HydrophobicContact CD1-CD2 3.66Å |
| 338 | Q | 72 | Confident | 81.8 | Confident | 86 Ų | 86 | 32.1 Ų | 32.1 | 40% | 0.402 | 17% | 0.17 | S | C | . | . | trans | -118.4 | 153.9 | 175.5 | -66.7 | -177.2 | -2.4 | 0 | 0 | 110.6 | R324 G340 D341 | R324-Q338 VanDerWaalsContact CZ-CD 3.47Å; Q338-G340 PolarHBondContact O-N 2.96Å; Q338-D341 PolarHBondContact N-OD2 2.89Å; Q338-D341 WeakPolarHBondContact O-CB 2.98Å; Q338-D341 PolarHBondContact O-N 3Å; Q338-D341 VanDerWaalsContact O-N 3.14Å | ||
| 339 | F | 74.1 | Confident | 82.7 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 20% | 0.197 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 129.9 | 176.6 | -176.5 | -97 | 0 | 0 | 0 | 109.6 | T297 L302 L366 Y423 F425 | T297-F339 HydrophobicContact CG2-CE2 4.34Å; L302-F339 HydrophobicContact CD1-CB 4.06Å; L302-F339 HydrophobicContact CD1-CD2 4.32Å; L302-F339 HydrophobicContact CD2-CB 3.94Å; F339-L366 HydrophobicContact CD1-CD2 4.02Å; F339-L366 HydrophobicContact CE1-CD2 3.31Å; F339-L366 HydrophobicContact CE1-CG 4.47Å; F339-L366 HydrophobicContact CE2-CD2 4.47Å; F339-L366 HydrophobicContact CZ-CD2 3.57Å; F339-L366 HydrophobicContact CZ-CG 4.33Å; F339-Y423 HydrophobicContact CD2-CD1 4.33Å; F339-Y423 AromaticContact CD2-CE1 3.83Å; F339-Y423 HydrophobicContact CD2-CE1 3.83Å; F339-Y423 HydrophobicContact CE2-CE1 4.04Å; F339-Y423 HydrophobicContact CG-CD1 4.37Å; F339-Y423 HydrophobicContact CG-CE1 4.27Å; F339-F425 HydrophobicContact CD1-CD1 4.35Å; F339-F425 HydrophobicContact CD1-CG 4.39Å; F339-F425 AromaticContact CE1-CD1 3.84Å; F339-F425 HydrophobicContact CE1-CD1 3.84Å; F339-F425 HydrophobicContact CE1-CE1 4.32Å; F339-F425 HydrophobicContact CE1-CG 4.31Å |
| 340 | G | 74.4 | Confident | 83.5 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V296 Q338 I342 | V296-G340 PolarHBondContact O-N 3.29Å; Q338-G340 PolarHBondContact O-N 2.96Å; G340-I342 PolarHBondContact O-N 3.27Å |
| 341 | D | 77.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | trans | -57.9 | 136.2 | 168.4 | -78.8 | -19.3 | 0 | 0 | 0 | 110 | V295 V296 L322 R324 Q338 L343 | V295-D341 WeakPolarHBondContact CA-O 3.45Å; V295-D341 WeakPolarHBondContact CG1-O 3.46Å; V296-D341 HydrophobicContact CB-CB 4.28Å; V296-D341 HydrophobicContact CG2-CB 3.88Å; V296-D341 PolarHBondContact N-O 3.44Å; L322-D341 HydrophobicContact CD1-CB 4.46Å; R324-D341 WeakPolarHBondContact CB-OD1 3.31Å; R324-D341 WeakPolarHBondContact CG-OD1 3Å; R324-D341 IonicContact CZ-OD1 3.77Å; R324-D341 IonicContact CZ-OD2 3.99Å; R324-D341 IonicContact NE-OD1 3.66Å; R324-D341 PolarHBondContact NE-OD1 2.99Å; R324-D341 IonicContact NE-OD2 2.66Å; R324-D341 IonicContact NH2-OD1 3.66Å; R324-D341 IonicContact NH2-OD2 2.92Å; R324-D341 PolarHBondContact NH2-OD2 3.41Å; Q338-D341 PolarHBondContact N-OD2 2.89Å; Q338-D341 WeakPolarHBondContact O-CB 2.98Å; Q338-D341 PolarHBondContact O-N 3Å; Q338-D341 VanDerWaalsContact O-N 3.14Å; D341-L343 HydrophobicContact CB-CD2 4.25Å | ||
| 342 | I | 84.5 | Confident | 84.2 | Confident | 48 Ų | 48 | 31.8 Ų | 31.8 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.5 | 176.5 | -50 | 174.2 | 0 | 0 | 0 | 108.2 | R293 V295 N323 G340 | R293-I342 HydrophobicContact CB-CG2 4.02Å; V295-I342 HydrophobicContact CG1-CG1 4.32Å; V295-I342 HydrophobicContact CG2-CG1 4.27Å; N323-I342 HydrophobicContact CB-CB 4.23Å; N323-I342 PolarHBondContact N-O 3.41Å; N323-I342 PolarHBondContact O-N 2.95Å; G340-I342 PolarHBondContact O-N 3.27Å |
| 343 | L | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.9 | -177.1 | -53.5 | -174.1 | 0 | 0 | 0 | 110.1 | R293 V294 V296 I319 L322 L337 D341 L345 L359 | R293-L343 WeakPolarHBondContact CA-O 3.42Å; V294-L343 PolarHBondContact N-O 2.88Å; V294-L343 PolarHBondContact O-N 2.89Å; V296-L343 HydrophobicContact CG2-CD1 3.6Å; V296-L343 HydrophobicContact CG2-CD2 4.4Å; V296-L343 HydrophobicContact CG2-CG 3.8Å; I319-L343 HydrophobicContact CD1-CD1 3.99Å; I319-L343 HydrophobicContact CG2-CB 4.07Å; I319-L343 HydrophobicContact CG2-CD2 4.24Å; L322-L343 HydrophobicContact CB-CD2 3.95Å; L322-L343 HydrophobicContact CD1-CD2 3.5Å; L322-L343 HydrophobicContact CG-CD2 3.71Å; L337-L343 HydrophobicContact CD1-CD1 4.37Å; L337-L343 HydrophobicContact CD2-CD1 3.9Å; L337-L343 HydrophobicContact CD2-CD2 4Å; D341-L343 HydrophobicContact CB-CD2 4.25Å; L343-L345 HydrophobicContact CB-CD2 3.99Å; L343-L345 PolarHBondContact O-N 3.43Å; L343-L359 HydrophobicContact CD1-CD1 3.8Å; L343-L359 HydrophobicContact CD1-CD2 3.86Å; L343-L359 HydrophobicContact CD1-CG 4.47Å |
| 344 | N | 91.9 | Very high | 85.3 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 100 | 170.8 | -71.7 | -14.1 | 0 | 0 | 0 | 109 | R293 S320 R321 | R293-N344 WeakPolarHBondContact CG-OD1 3.47Å; R293-N344 PolarHBondContact NE-OD1 3.32Å; S320-N344 PolarHBondContact N-O 3.44Å; S320-N344 WeakPolarHBondContact OG-CB 3.4Å; S320-N344 PolarHBondContact OG-O 3.46Å; R321-N344 HydrophobicContact CB-CB 4.2Å; R321-N344 PolarHBondContact O-N 3.06Å |
| 345 | L | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.8 | 179.3 | -54 | -171.1 | 0 | 0 | 0 | 110.3 | V291 E292 V294 V317 I319 L343 I352 V355 L359 | V291-L345 CarbonylContact C-O 3.55Å; V291-L345 VanDerWaalsContact CA-O 3.28Å; V291-L345 WeakPolarHBondContact CA-O 3.31Å; E292-L345 PolarHBondContact N-O 2.97Å; E292-L345 PolarHBondContact O-N 3.44Å; V294-L345 HydrophobicContact CB-CD1 3.93Å; V294-L345 HydrophobicContact CB-CG 4.28Å; V294-L345 HydrophobicContact CG2-CD1 3.51Å; V294-L345 HydrophobicContact CG2-CG 4.09Å; V317-L345 HydrophobicContact CG1-CB 3.9Å; V317-L345 HydrophobicContact CG1-CD1 4.34Å; V317-L345 HydrophobicContact CG1-CD2 4.2Å; V317-L345 HydrophobicContact CG1-CG 4.38Å; I319-L345 HydrophobicContact CB-CD2 4.39Å; I319-L345 HydrophobicContact CG1-CD2 3.59Å; L343-L345 HydrophobicContact CB-CD2 3.99Å; L343-L345 PolarHBondContact O-N 3.43Å; L345-I352 HydrophobicContact CB-CG1 4.4Å; L345-I352 HydrophobicContact CD1-CG2 4.35Å; L345-V355 HydrophobicContact CD1-CB 4.31Å; L345-V355 HydrophobicContact CD1-CG1 3.81Å; L345-L359 HydrophobicContact CD1-CD1 4.06Å; L345-L359 HydrophobicContact CD2-CD1 4.3Å |
| 346 | V | 93.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127 | 171.4 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | R236 R290 V291 V317 V318 | R236-V346 HydrophobicContact CG-CG1 3.91Å; R290-V346 WeakPolarHBondContact O-CA 3.18Å; V291-V346 HydrophobicContact CG1-CG2 4.26Å; V291-V346 HydrophobicContact CG2-CG1 4.32Å; V291-V346 HydrophobicContact CG2-CG2 4.01Å; V317-V346 WeakPolarHBondContact CA-O 3.37Å; V318-V346 HydrophobicContact CG1-CB 3.86Å; V318-V346 HydrophobicContact CG1-CG2 4.46Å; V318-V346 PolarHBondContact N-O 3.41Å; V318-V346 PolarHBondContact O-N 3.33Å |
| 347 | G | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -176.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L289 R290 I352 | L289-G347 CarbonylContact C-O 3.59Å; L289-G347 WeakPolarHBondContact CA-O 3.5Å; R290-G347 PolarHBondContact N-O 3.4Å; R290-G347 PolarHBondContact O-N 2.91Å; G347-I352 WeakPolarHBondContact O-CD1 3.14Å |
| 348 | R | 92.1 | Very high | 88.3 | Confident | 112 Ų | 112 | 37.4 Ų | 37.4 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | trans | -70.1 | 146.2 | 171.8 | -68.2 | 179.3 | -74.2 | -172.9 | -3.7 | 109.9 | L289 D316 S350 A351 I352 | L289-R348 HydrophobicContact CD2-CG 3.89Å; D316-R348 IonicContact OD2-CZ 2.91Å; D316-R348 IonicContact OD2-NH2 3.72Å; D316-R348 PolarHBondContact OD2-NH2 3.18Å; R348-S350 VanDerWaalsContact C-N 3.35Å; R348-S350 PolarHBondContact O-N 3.33Å; R348-A351 HydrophobicContact CB-CB 4.3Å; R348-A351 WeakPolarHBondContact O-CB 3.32Å; R348-A351 PolarHBondContact O-N 3.37Å; R348-I352 PolarHBondContact O-N 2.91Å | ||
| 349 | P | 89.8 | Confident | 89.1 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -49.3 | -49.6 | -177.9 | -29.3 | 31.7 | 0 | 0 | 0 | 114.1 | D288 R290 A351 I352 D353 | D288-P349 WeakPolarHBondContact O-CD 3.45Å; R290-P349 HydrophobicContact CG-CG 4.13Å; P349-A351 VanDerWaalsContact C-N 3.29Å; P349-A351 PolarHBondContact O-N 3.4Å; P349-I352 WeakPolarHBondContact O-CB 3.46Å; P349-I352 PolarHBondContact O-N 3.01Å; P349-D353 PolarHBondContact O-N 2.93Å |
| 350 | S | 92 | Very high | 89.4 | Confident | 88 Ų | 88 | 31.8 Ų | 31.8 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.7 | -33 | 179.9 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | R348 A354 | R348-S350 VanDerWaalsContact C-N 3.35Å; R348-S350 PolarHBondContact O-N 3.33Å; S350-A354 PolarHBondContact O-N 3.28Å; S350-A354 VanDerWaalsContact O-N 3.11Å |
| 351 | A | 93 | Very high | 89.7 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.7 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y315 V317 R348 P349 D353 A354 V355 | Y315-A351 WeakPolarHBondContact O-CB 3Å; V317-A351 HydrophobicContact CG2-CB 3.72Å; R348-A351 HydrophobicContact CB-CB 4.3Å; R348-A351 WeakPolarHBondContact O-CB 3.32Å; R348-A351 PolarHBondContact O-N 3.37Å; P349-A351 VanDerWaalsContact C-N 3.29Å; P349-A351 PolarHBondContact O-N 3.4Å; A351-D353 VanDerWaalsContact C-N 3.32Å; A351-A354 PolarHBondContact O-N 3.35Å; A351-V355 WeakPolarHBondContact O-CG2 3.39Å; A351-V355 PolarHBondContact O-N 3.37Å |
| 352 | I | 92 | Very high | 89 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 172.1 | -70.7 | 176.1 | 0 | 0 | 0 | 109.7 | R290 E292 V317 L345 G347 R348 P349 A354 V355 A356 | R290-I352 HydrophobicContact CB-CD1 4.08Å; R290-I352 WeakPolarHBondContact O-CD1 3.47Å; E292-I352 HydrophobicContact CB-CD1 4.43Å; E292-I352 HydrophobicContact CB-CG2 3.93Å; E292-I352 HydrophobicContact CG-CD1 4.31Å; E292-I352 HydrophobicContact CG-CG2 4.23Å; V317-I352 HydrophobicContact CG2-CG1 4.47Å; L345-I352 HydrophobicContact CB-CG1 4.4Å; L345-I352 HydrophobicContact CD1-CG2 4.35Å; G347-I352 WeakPolarHBondContact O-CD1 3.14Å; R348-I352 PolarHBondContact O-N 2.91Å; P349-I352 WeakPolarHBondContact O-CB 3.46Å; P349-I352 PolarHBondContact O-N 3.01Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.32Å; I352-V355 PolarHBondContact O-N 3.25Å; I352-A356 VanDerWaalsContact O-CB 3.26Å; I352-A356 WeakPolarHBondContact O-CB 3.39Å; I352-A356 PolarHBondContact O-N 2.98Å |
| 353 | D | 90.8 | Very high | 87.9 | Confident | 88 Ų | 88 | 38.2 Ų | 38.2 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.4 | -69.4 | -31.3 | 0 | 0 | 0 | 111.9 | P349 A351 A356 N357 | P349-D353 PolarHBondContact O-N 2.93Å; A351-D353 VanDerWaalsContact C-N 3.32Å; D353-A356 PolarHBondContact O-N 2.81Å; D353-N357 VanDerWaalsContact O-CG 3.3Å; D353-N357 PolarHBondContact O-N 3.43Å; D353-N357 PolarHBondContact O-ND2 3.38Å; D353-N357 VanDerWaalsContact O-ND2 3.16Å |
| 354 | A | 93 | Very high | 86.2 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 26% | 0.256 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y315 S350 A351 I352 N357 V358 | Y315-A354 HydrophobicContact CD1-CB 3.77Å; Y315-A354 HydrophobicContact CE1-CB 3.89Å; S350-A354 PolarHBondContact O-N 3.28Å; S350-A354 VanDerWaalsContact O-N 3.11Å; A351-A354 PolarHBondContact O-N 3.35Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.32Å; A354-N357 PolarHBondContact O-N 3.29Å; A354-V358 PolarHBondContact O-N 2.88Å |
| 355 | V | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | F311 Y315 V317 L345 A351 I352 N357 V358 L359 | F311-V355 HydrophobicContact CB-CG2 4.39Å; F311-V355 HydrophobicContact CD1-CB 4.38Å; F311-V355 HydrophobicContact CD1-CG1 3.77Å; F311-V355 HydrophobicContact CD1-CG2 3.82Å; F311-V355 HydrophobicContact CD2-CG1 4.3Å; F311-V355 HydrophobicContact CE1-CG1 3.86Å; F311-V355 HydrophobicContact CE1-CG2 4.43Å; F311-V355 HydrophobicContact CE2-CG1 4.36Å; F311-V355 HydrophobicContact CG-CG1 4Å; F311-V355 HydrophobicContact CG-CG2 4.32Å; F311-V355 HydrophobicContact CZ-CG1 4.15Å; Y315-V355 HydrophobicContact CD1-CG2 4.31Å; Y315-V355 HydrophobicContact CD2-CG2 3.67Å; Y315-V355 HydrophobicContact CE2-CG2 4.42Å; Y315-V355 HydrophobicContact CG-CG2 3.6Å; V317-V355 HydrophobicContact CB-CG2 3.89Å; V317-V355 HydrophobicContact CG1-CB 4.46Å; V317-V355 HydrophobicContact CG1-CG1 4.4Å; V317-V355 HydrophobicContact CG1-CG2 4.3Å; V317-V355 HydrophobicContact CG2-CB 4.38Å; V317-V355 HydrophobicContact CG2-CG2 3.73Å; L345-V355 HydrophobicContact CD1-CB 4.31Å; L345-V355 HydrophobicContact CD1-CG1 3.81Å; A351-V355 WeakPolarHBondContact O-CG2 3.39Å; A351-V355 PolarHBondContact O-N 3.37Å; I352-V355 PolarHBondContact O-N 3.25Å; V355-N357 VanDerWaalsContact C-N 3.3Å; V355-N357 PolarHBondContact O-N 3.47Å; V355-V358 PolarHBondContact O-N 2.71Å; V355-V358 VanDerWaalsContact O-N 3.1Å; V355-L359 HydrophobicContact CG1-CD1 3.62Å; V355-L359 HydrophobicContact CG1-CG 4.1Å; V355-L359 WeakPolarHBondContact O-CB 3.4Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 3.4Å |
| 356 | A | 90 | Very high | 83.1 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V294 I352 D353 V358 G360 N361 | V294-A356 HydrophobicContact CG1-CB 4.14Å; V294-A356 HydrophobicContact CG2-CB 3.97Å; I352-A356 VanDerWaalsContact O-CB 3.26Å; I352-A356 WeakPolarHBondContact O-CB 3.39Å; I352-A356 PolarHBondContact O-N 2.98Å; D353-A356 PolarHBondContact O-N 2.81Å; A356-V358 VanDerWaalsContact C-N 3.31Å; A356-V358 PolarHBondContact O-N 3.13Å; A356-G360 CarbonylContact O-C 2.95Å; A356-G360 WeakPolarHBondContact O-CA 3.46Å; A356-G360 PolarHBondContact O-N 3Å; A356-N361 HydrophobicContact CB-CB 4.49Å |
| 357 | N | 89 | Confident | 81.8 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 69% | 0.69 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.5 | -34.9 | 173.5 | -73.4 | -35.3 | 0 | 0 | 0 | 112.5 | D353 A354 V355 | D353-N357 VanDerWaalsContact O-CG 3.3Å; D353-N357 PolarHBondContact O-N 3.43Å; D353-N357 PolarHBondContact O-ND2 3.38Å; D353-N357 VanDerWaalsContact O-ND2 3.16Å; A354-N357 PolarHBondContact O-N 3.29Å; V355-N357 VanDerWaalsContact C-N 3.3Å; V355-N357 PolarHBondContact O-N 3.47Å |
| 358 | V | 90.7 | Very high | 80.7 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.4 | -47.7 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | N298 V301 F311 A354 V355 A356 G360 | N298-V358 WeakPolarHBondContact CB-O 3.3Å; N298-V358 PolarHBondContact ND2-O 2.96Å; V301-V358 HydrophobicContact CG1-CG1 3.88Å; V301-V358 WeakPolarHBondContact CG1-O 3.35Å; F311-V358 HydrophobicContact CE1-CB 4.19Å; F311-V358 HydrophobicContact CE1-CG1 3.85Å; F311-V358 HydrophobicContact CZ-CG1 4.18Å; A354-V358 PolarHBondContact O-N 2.88Å; V355-V358 PolarHBondContact O-N 2.71Å; V355-V358 VanDerWaalsContact O-N 3.1Å; A356-V358 VanDerWaalsContact C-N 3.31Å; A356-V358 PolarHBondContact O-N 3.13Å; V358-G360 PolarHBondContact O-N 3.21Å |
| 359 | L | 88.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.6 | -19.3 | 177.6 | -66.6 | 170 | 0 | 0 | 0 | 112.9 | V294 V296 T297 N298 V301 F311 L337 L343 L345 V355 | V294-L359 HydrophobicContact CB-CD1 4.47Å; V294-L359 HydrophobicContact CG1-CB 4.09Å; V294-L359 HydrophobicContact CG1-CD1 3.91Å; V296-L359 HydrophobicContact CG2-CD2 4.34Å; T297-L359 PolarHBondContact N-O 2.85Å; N298-L359 VanDerWaalsContact CB-C 3.43Å; N298-L359 VanDerWaalsContact CB-O 3.27Å; N298-L359 WeakPolarHBondContact CB-O 3.27Å; N298-L359 PolarHBondContact N-O 3.19Å; V301-L359 HydrophobicContact CG2-CD2 4.32Å; F311-L359 HydrophobicContact CE2-CD2 3.74Å; F311-L359 HydrophobicContact CE2-CG 4.29Å; F311-L359 HydrophobicContact CZ-CD2 3.59Å; F311-L359 HydrophobicContact CZ-CG 3.91Å; L337-L359 HydrophobicContact CD1-CD2 3.66Å; L343-L359 HydrophobicContact CD1-CD1 3.8Å; L343-L359 HydrophobicContact CD1-CD2 3.86Å; L343-L359 HydrophobicContact CD1-CG 4.47Å; L345-L359 HydrophobicContact CD1-CD1 4.06Å; L345-L359 HydrophobicContact CD2-CD1 4.3Å; V355-L359 HydrophobicContact CG1-CD1 3.62Å; V355-L359 HydrophobicContact CG1-CG 4.1Å; V355-L359 WeakPolarHBondContact O-CB 3.4Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 3.4Å |
| 360 | G | 81.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 61 Ų | 61 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | trans | 71.6 | 169.8 | -156.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V294 T297 A356 V358 | V294-G360 VanDerWaalsContact CG1-O 3.26Å; V294-G360 WeakPolarHBondContact CG1-O 2.96Å; T297-G360 WeakPolarHBondContact OG1-CA 3.29Å; A356-G360 CarbonylContact O-C 2.95Å; A356-G360 WeakPolarHBondContact O-CA 3.46Å; A356-G360 PolarHBondContact O-N 3Å; V358-G360 PolarHBondContact O-N 3.21Å | ||
| 361 | N | 79.4 | Confident | 79.3 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | trans | -157.6 | 35.6 | 166.2 | -163.5 | 15.9 | 0 | 0 | 0 | 108.6 | V294 V295 T297 A356 Q363 | V294-N361 HydrophobicContact CG1-CB 4.11Å; V295-N361 PolarHBondContact N-OD1 2.91Å; T297-N361 PolarHBondContact OG1-N 3.25Å; A356-N361 HydrophobicContact CB-CB 4.49Å; N361-Q363 PolarHBondContact O-N 2.95Å | ||
| 362 | A | 64.2 | Low | 79.3 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 31% | 0.314 | 35% | 0.346 | S | S | . | . | trans | -82 | 75.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | T297 Q364 K365 | T297-A362 PolarHBondContact OG1-N 3.49Å; T297-A362 VanDerWaalsContact OG1-N 3.12Å; A362-Q364 PolarHBondContact O-N 3.06Å; A362-K365 HydrophobicContact CB-CB 4.16Å; A362-K365 HydrophobicContact CB-CD 4.15Å; A362-K365 HydrophobicContact CB-CG 3.92Å; A362-K365 WeakPolarHBondContact O-CB 3.15Å; A362-K365 PolarHBondContact O-N 2.86Å | ||
| 363 | Q | 61.3 | Low | 79.2 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.7 | 176.1 | -67.7 | -174.2 | 3.8 | 0 | 0 | 111.7 | V295 N361 K365 L366 Q367 | V295-Q363 HydrophobicContact CG2-CG 4.39Å; N361-Q363 PolarHBondContact O-N 2.95Å; Q363-K365 VanDerWaalsContact C-N 3.35Å; Q363-K365 PolarHBondContact O-N 3.23Å; Q363-L366 WeakPolarHBondContact O-CB 3.42Å; Q363-L366 PolarHBondContact O-N 3.45Å; Q363-L366 VanDerWaalsContact O-N 3.12Å; Q363-Q367 WeakPolarHBondContact O-CG 3.2Å; Q363-Q367 PolarHBondContact O-N 3.35Å |
| 364 | Q | 56 | Low | 79.2 | Confident | 140 Ų | 140 | 63 Ų | 63 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35.6 | 171.4 | -85.6 | -178.1 | -13.3 | 0 | 0 | 114.1 | A362 L366 Q367 Q368 | A362-Q364 PolarHBondContact O-N 3.06Å; Q364-L366 PolarHBondContact O-N 3.01Å; Q364-Q367 CarbonylContact O-C 3.53Å; Q364-Q367 WeakPolarHBondContact O-CA 3.46Å; Q364-Q367 WeakPolarHBondContact O-CB 3.47Å; Q364-Q367 PolarHBondContact O-N 3.22Å; Q364-Q368 WeakPolarHBondContact O-CG 3.26Å; Q364-Q368 PolarHBondContact O-N 3.02Å |
| 365 | K | 57.1 | Low | 79.2 | Confident | 114 Ų | 114 | 67.4 Ų | 67.4 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -29.6 | 174.8 | -75.6 | -169.2 | 174.6 | -171.4 | 0 | 112 | A362 Q363 Q367 | A362-K365 HydrophobicContact CB-CB 4.16Å; A362-K365 HydrophobicContact CB-CD 4.15Å; A362-K365 HydrophobicContact CB-CG 3.92Å; A362-K365 WeakPolarHBondContact O-CB 3.15Å; A362-K365 PolarHBondContact O-N 2.86Å; Q363-K365 VanDerWaalsContact C-N 3.35Å; Q363-K365 PolarHBondContact O-N 3.23Å; K365-Q367 PolarHBondContact O-N 3.07Å |
| 366 | L | 62.6 | Low | 79.3 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.3 | 171.6 | -63.1 | 162.4 | 0 | 0 | 0 | 112.9 | V295 T297 F339 Q363 Q364 F425 P427 | V295-L366 HydrophobicContact CB-CD1 3.91Å; V295-L366 HydrophobicContact CG1-CD1 3.35Å; V295-L366 HydrophobicContact CG2-CD1 4.39Å; T297-L366 HydrophobicContact CG2-CD1 3.86Å; T297-L366 HydrophobicContact CG2-CD2 4.43Å; T297-L366 HydrophobicContact CG2-CG 3.92Å; F339-L366 HydrophobicContact CD1-CD2 4.02Å; F339-L366 HydrophobicContact CE1-CD2 3.31Å; F339-L366 HydrophobicContact CE1-CG 4.47Å; F339-L366 HydrophobicContact CE2-CD2 4.47Å; F339-L366 HydrophobicContact CZ-CD2 3.57Å; F339-L366 HydrophobicContact CZ-CG 4.33Å; Q363-L366 WeakPolarHBondContact O-CB 3.42Å; Q363-L366 PolarHBondContact O-N 3.45Å; Q363-L366 VanDerWaalsContact O-N 3.12Å; Q364-L366 PolarHBondContact O-N 3.01Å; L366-F425 HydrophobicContact CD2-CE1 4.16Å; L366-P427 WeakPolarHBondContact O-CB 3.3Å; L366-P427 WeakPolarHBondContact O-CG 3.49Å |
| 367 | Q | 67.8 | Low | 79.5 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -18.4 | 177.2 | -65.9 | 171.7 | -9 | 0 | 0 | 112.4 | Q363 Q364 K365 P427 | Q363-Q367 WeakPolarHBondContact O-CG 3.2Å; Q363-Q367 PolarHBondContact O-N 3.35Å; Q364-Q367 CarbonylContact O-C 3.53Å; Q364-Q367 WeakPolarHBondContact O-CA 3.46Å; Q364-Q367 WeakPolarHBondContact O-CB 3.47Å; Q364-Q367 PolarHBondContact O-N 3.22Å; K365-Q367 PolarHBondContact O-N 3.07Å; Q367-P427 VanDerWaalsContact C-CG 3.46Å |
| 368 | Q | 70.2 | Confident | 79.8 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -89.7 | 126.8 | 179.2 | -71.9 | -179.4 | -0.8 | 0 | 0 | 111.5 | Q364 | Q364-Q368 WeakPolarHBondContact O-CG 3.26Å; Q364-Q368 PolarHBondContact O-N 3.02Å |
| 369 | V | 75.5 | Confident | 80.1 | Confident | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | trans | -78.6 | 128.4 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | M371 V374 M426 P427 A430 | V369-M371 HydrophobicContact CB-SD 4.34Å; V369-M371 HydrophobicContact CG1-SD 3.71Å; V369-M371 PolarHBondContact O-N 3.49Å; V369-V374 HydrophobicContact CG1-CG2 4.09Å; V369-M426 HydrophobicContact CG1-CE 4.2Å; V369-M426 HydrophobicContact CG1-CG 4.43Å; V369-M426 HydrophobicContact CG2-CG 4.21Å; V369-P427 HydrophobicContact CG2-CG 4.27Å; V369-A430 HydrophobicContact CG2-CB 3.01Å | ||
| 370 | Q | 81.7 | Confident | 80.4 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | trans | -83.9 | 104.1 | 164.1 | -62.1 | -176.7 | 25.1 | 0 | 0 | 108.5 | L372 P373 K421 | Q370-L372 PolarHBondContact O-N 2.91Å; Q370-P373 HydrophobicContact CB-CG 3.8Å; Q370-P373 WeakPolarHBondContact O-CD 3.24Å; Q370-K421 PolarHBondContact OE1-O 3.27Å | ||
| 371 | M | 88.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 51% | 0.507 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -28.4 | -178.6 | -63.3 | -60.9 | -86.8 | 0 | 0 | 112.4 | V369 V374 F375 | V369-M371 HydrophobicContact CB-SD 4.34Å; V369-M371 HydrophobicContact CG1-SD 3.71Å; V369-M371 PolarHBondContact O-N 3.49Å; M371-V374 WeakPolarHBondContact O-CB 3.19Å; M371-V374 PolarHBondContact O-N 3.09Å; M371-F375 HydrophobicContact CB-CD2 4.34Å; M371-F375 HydrophobicContact CB-CE2 4.33Å; M371-F375 HydrophobicContact CE-CE2 4.06Å; M371-F375 VanDerWaalsContact O-CD2 3.26Å; M371-F375 WeakPolarHBondContact O-CD2 3.37Å; M371-F375 PolarHBondContact O-N 3.46Å |
| 372 | L | 91.1 | Very high | 81.8 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 59% | 0.586 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -54 | -178.7 | 179.2 | 68.2 | 0 | 0 | 0 | 112.5 | Q370 V374 F375 I376 L422 | Q370-L372 PolarHBondContact O-N 2.91Å; L372-V374 VanDerWaalsContact C-N 3.26Å; L372-V374 PolarHBondContact O-N 3.36Å; L372-F375 PolarHBondContact O-N 2.92Å; L372-I376 HydrophobicContact CD1-CD1 3.87Å; L372-I376 HydrophobicContact CD1-CG1 4.26Å; L372-I376 HydrophobicContact CG-CD1 3.83Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.26Å; L372-I376 PolarHBondContact O-N 3.27Å; L372-L422 HydrophobicContact CD2-CD2 3.62Å; L372-L422 HydrophobicContact CG-CD2 3.97Å |
| 373 | P | 90.1 | Very high | 83.2 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -51.7 | -40.1 | 169 | -28.7 | 32.4 | 0 | 0 | 0 | 114 | Y72 Q370 I376 G377 L422 Y423 W424 | Y72-P373 PolarHBondContact OH-O 3.17Å; Q370-P373 HydrophobicContact CB-CG 3.8Å; Q370-P373 WeakPolarHBondContact O-CD 3.24Å; P373-I376 PolarHBondContact O-N 3.34Å; P373-G377 PolarHBondContact O-N 3Å; P373-L422 HydrophobicContact CG-CB 4.14Å; P373-L422 HydrophobicContact CG-CD2 3.95Å; P373-Y423 WeakPolarHBondContact CB-O 3.48Å; P373-Y423 WeakPolarHBondContact CG-O 3.18Å; P373-W424 HydrophobicContact CB-CD2 4.25Å; P373-W424 HydrophobicContact CB-CE3 3.67Å; P373-W424 HydrophobicContact CB-CH2 4.46Å; P373-W424 HydrophobicContact CB-CZ3 3.83Å; P373-W424 WeakPolarHBondContact O-CZ3 3.46Å |
| 374 | V | 91.5 | Very high | 84.8 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -52 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | Y72 V369 M371 L372 G377 I378 M426 L434 | Y72-V374 HydrophobicContact CD1-CG1 4.42Å; Y72-V374 HydrophobicContact CE1-CB 4.4Å; Y72-V374 HydrophobicContact CE1-CG1 3.95Å; V369-V374 HydrophobicContact CG1-CG2 4.09Å; M371-V374 WeakPolarHBondContact O-CB 3.19Å; M371-V374 PolarHBondContact O-N 3.09Å; L372-V374 VanDerWaalsContact C-N 3.26Å; L372-V374 PolarHBondContact O-N 3.36Å; V374-G377 PolarHBondContact O-N 2.88Å; V374-I378 HydrophobicContact CG1-CD1 3.88Å; V374-I378 WeakPolarHBondContact O-CB 3.27Å; V374-I378 WeakPolarHBondContact O-CG1 3.37Å; V374-I378 PolarHBondContact O-N 2.97Å; V374-M426 HydrophobicContact CB-CE 4.44Å; V374-M426 HydrophobicContact CG1-CE 4.29Å; V374-M426 HydrophobicContact CG2-CE 3.29Å; V374-L434 HydrophobicContact CG1-CD2 4.24Å |
| 375 | F | 93.9 | Very high | 86.3 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 54% | 0.544 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | -179.6 | -76.4 | -70.6 | 0 | 0 | 0 | 113 | M371 L372 G379 | M371-F375 HydrophobicContact CB-CD2 4.34Å; M371-F375 HydrophobicContact CB-CE2 4.33Å; M371-F375 HydrophobicContact CE-CE2 4.06Å; M371-F375 VanDerWaalsContact O-CD2 3.26Å; M371-F375 WeakPolarHBondContact O-CD2 3.37Å; M371-F375 PolarHBondContact O-N 3.46Å; L372-F375 PolarHBondContact O-N 2.92Å; F375-G379 PolarHBondContact O-N 2.82Å |
| 376 | I | 94.9 | Very high | 87.8 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 173.7 | -66 | 169.1 | 0 | 0 | 0 | 109.9 | L372 P373 I378 G379 L380 L422 W424 | L372-I376 HydrophobicContact CD1-CD1 3.87Å; L372-I376 HydrophobicContact CD1-CG1 4.26Å; L372-I376 HydrophobicContact CG-CD1 3.83Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.26Å; L372-I376 PolarHBondContact O-N 3.27Å; P373-I376 PolarHBondContact O-N 3.34Å; I376-I378 PolarHBondContact O-N 2.98Å; I376-G379 PolarHBondContact O-N 3.48Å; I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.17Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.29Å; I376-L380 WeakPolarHBondContact O-CG 3.23Å; I376-L380 PolarHBondContact O-N 2.84Å; I376-L422 HydrophobicContact CD1-CD1 4.04Å; I376-W424 HydrophobicContact CB-CH2 4.03Å; I376-W424 HydrophobicContact CB-CZ3 4.26Å; I376-W424 HydrophobicContact CG2-CH2 3.72Å; I376-W424 HydrophobicContact CG2-CZ3 4.28Å |
| 377 | G | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y72 P373 V374 G381 | Y72-G377 VanDerWaalsContact CE2-C 3.41Å; P373-G377 PolarHBondContact O-N 3Å; V374-G377 PolarHBondContact O-N 2.88Å; G377-G381 PolarHBondContact O-N 3.36Å |
| 378 | I | 94.5 | Very high | 89.8 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 173 | -71.5 | 170 | 0 | 0 | 0 | 110.5 | I68 L69 Y72 V374 I376 L380 G381 V382 | I68-I378 HydrophobicContact CG2-CB 4.45Å; I68-I378 HydrophobicContact CG2-CD1 4.43Å; I68-I378 HydrophobicContact CG2-CG1 4.19Å; I68-I378 HydrophobicContact CG2-CG2 3.54Å; L69-I378 HydrophobicContact CD2-CD1 3.89Å; Y72-I378 HydrophobicContact CD1-CD1 4.26Å; Y72-I378 HydrophobicContact CD1-CG1 3.92Å; Y72-I378 HydrophobicContact CD2-CG1 3.76Å; Y72-I378 HydrophobicContact CE1-CG1 4.32Å; Y72-I378 HydrophobicContact CE2-CG1 4.19Å; Y72-I378 HydrophobicContact CG-CD1 4.36Å; Y72-I378 HydrophobicContact CG-CG1 3.63Å; V374-I378 HydrophobicContact CG1-CD1 3.88Å; V374-I378 WeakPolarHBondContact O-CB 3.27Å; V374-I378 WeakPolarHBondContact O-CG1 3.37Å; V374-I378 PolarHBondContact O-N 2.97Å; I376-I378 PolarHBondContact O-N 2.98Å; I378-L380 PolarHBondContact O-N 3.46Å; I378-G381 CarbonylContact O-C 3.59Å; I378-G381 WeakPolarHBondContact O-CA 3.34Å; I378-G381 PolarHBondContact O-N 2.99Å; I378-G381 VanDerWaalsContact O-N 3.11Å; I378-V382 HydrophobicContact CG2-CG2 4.31Å; I378-V382 WeakPolarHBondContact O-CG2 3.37Å; I378-V382 PolarHBondContact O-N 2.87Å |
| 379 | G | 96 | Very high | 90.4 | Very high | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F375 I376 G381 V382 L383 | F375-G379 PolarHBondContact O-N 2.82Å; I376-G379 PolarHBondContact O-N 3.48Å; G379-G381 VanDerWaalsContact C-N 3.28Å; G379-G381 PolarHBondContact O-N 2.88Å; G379-V382 PolarHBondContact O-N 3.01Å; G379-L383 WeakPolarHBondContact O-CB 3.41Å; G379-L383 VanDerWaalsContact O-CG 3.31Å; G379-L383 WeakPolarHBondContact O-CG 3.48Å; G379-L383 PolarHBondContact O-N 3.12Å |
| 380 | L | 96.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 60.7 Ų | 60.7 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 174 | -69.6 | 176.1 | 0 | 0 | 0 | 111.9 | I376 I378 L383 L384 M409 | I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.17Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.29Å; I376-L380 WeakPolarHBondContact O-CG 3.23Å; I376-L380 PolarHBondContact O-N 2.84Å; I378-L380 PolarHBondContact O-N 3.46Å; L380-L383 PolarHBondContact O-N 3.44Å; L380-L384 WeakPolarHBondContact O-CB 3.43Å; L380-L384 PolarHBondContact O-N 3.48Å; L380-M409 HydrophobicContact CB-CE 4.49Å; L380-M409 HydrophobicContact CB-CG 4.3Å |
| 381 | G | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G377 I378 G379 L384 G385 G405 P406 | G377-G381 PolarHBondContact O-N 3.36Å; I378-G381 CarbonylContact O-C 3.59Å; I378-G381 WeakPolarHBondContact O-CA 3.34Å; I378-G381 PolarHBondContact O-N 2.99Å; I378-G381 VanDerWaalsContact O-N 3.11Å; G379-G381 VanDerWaalsContact C-N 3.28Å; G379-G381 PolarHBondContact O-N 2.88Å; G381-L384 PolarHBondContact O-N 2.95Å; G381-G385 PolarHBondContact O-N 3.42Å; G381-G405 CarbonylContact O-C 3.57Å; G381-G405 VanDerWaalsContact O-CA 3.23Å; G381-G405 WeakPolarHBondContact O-CA 3.34Å; G381-P406 WeakPolarHBondContact O-CD 3.21Å |
| 382 | V | 93.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | I68 I378 G379 G385 S386 L402 P406 | I68-V382 HydrophobicContact CD1-CG2 4.11Å; I378-V382 HydrophobicContact CG2-CG2 4.31Å; I378-V382 WeakPolarHBondContact O-CG2 3.37Å; I378-V382 PolarHBondContact O-N 2.87Å; G379-V382 PolarHBondContact O-N 3.01Å; V382-G385 PolarHBondContact O-N 3.26Å; V382-S386 WeakPolarHBondContact O-CB 3.3Å; V382-S386 PolarHBondContact O-N 3.03Å; V382-S386 PolarHBondContact O-OG 3.48Å; V382-L402 HydrophobicContact CB-CD2 4.34Å; V382-L402 HydrophobicContact CG1-CD2 3.77Å; V382-L402 HydrophobicContact CG2-CD2 4Å; V382-P406 HydrophobicContact CG2-CG 4.24Å |
| 383 | L | 95 | Very high | 88.5 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.7 | -51.5 | 174.8 | -73 | 172.7 | 0 | 0 | 0 | 111.1 | G379 L380 G385 S386 I387 | G379-L383 WeakPolarHBondContact O-CB 3.41Å; G379-L383 VanDerWaalsContact O-CG 3.31Å; G379-L383 WeakPolarHBondContact O-CG 3.48Å; G379-L383 PolarHBondContact O-N 3.12Å; L380-L383 PolarHBondContact O-N 3.44Å; L383-G385 VanDerWaalsContact C-N 3.28Å; L383-G385 PolarHBondContact O-N 3.35Å; L383-S386 PolarHBondContact O-N 2.78Å; L383-S386 VanDerWaalsContact O-N 3.13Å; L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 2.87Å |
| 384 | L | 93.6 | Very high | 87.4 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 175.6 | -179 | 69.6 | 0 | 0 | 0 | 111.4 | L380 G381 S386 I387 L400 I408 M409 | L380-L384 WeakPolarHBondContact O-CB 3.43Å; L380-L384 PolarHBondContact O-N 3.48Å; G381-L384 PolarHBondContact O-N 2.95Å; L384-S386 PolarHBondContact O-N 2.83Å; L384-I387 HydrophobicContact CD1-CD1 4.27Å; L384-I387 PolarHBondContact O-N 3.47Å; L384-L400 HydrophobicContact CD2-CD1 4.49Å; L384-L400 HydrophobicContact CG-CD1 4.23Å; L384-I408 HydrophobicContact CD2-CB 4.08Å; L384-I408 HydrophobicContact CD2-CG2 3.78Å; L384-M409 HydrophobicContact CB-CG 4.04Å; L384-M409 HydrophobicContact CD2-CG 3.64Å; L384-M409 HydrophobicContact CD2-SD 3.76Å; L384-M409 HydrophobicContact CG-CG 4.47Å |
| 385 | G | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.7 | -31.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G381 V382 L383 L400 G401 | G381-G385 PolarHBondContact O-N 3.42Å; V382-G385 PolarHBondContact O-N 3.26Å; L383-G385 VanDerWaalsContact C-N 3.28Å; L383-G385 PolarHBondContact O-N 3.35Å; G385-L400 PolarHBondContact O-N 2.89Å; G385-G401 VanDerWaalsContact CA-O 3.26Å; G385-G401 WeakPolarHBondContact CA-O 3.36Å; G385-G401 PolarHBondContact O-N 2.78Å |
| 386 | S | 87.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -87.6 | -8.8 | -174.9 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | V382 L383 L384 P388 | V382-S386 WeakPolarHBondContact O-CB 3.3Å; V382-S386 PolarHBondContact O-N 3.03Å; V382-S386 PolarHBondContact O-OG 3.48Å; L383-S386 PolarHBondContact O-N 2.78Å; L383-S386 VanDerWaalsContact O-N 3.13Å; L384-S386 PolarHBondContact O-N 2.83Å; S386-P388 VanDerWaalsContact O-CD 3.28Å; S386-P388 WeakPolarHBondContact O-CD 3.39Å |
| 387 | I | 88.8 | Confident | 83.8 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | trans | -69 | 118.1 | 179.8 | -58.4 | -179.4 | 0 | 0 | 0 | 109.2 | L383 L384 V389 | L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 2.87Å; L384-I387 HydrophobicContact CD1-CD1 4.27Å; L384-I387 PolarHBondContact O-N 3.47Å; I387-V389 PolarHBondContact O-N 2.94Å | ||
| 388 | P | 84.8 | Confident | 82.6 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | trans | -72.7 | 123.9 | 175 | 28.5 | -30.8 | 0 | 0 | 0 | 110.3 | S386 F390 A397 | S386-P388 VanDerWaalsContact O-CD 3.28Å; S386-P388 WeakPolarHBondContact O-CD 3.39Å; P388-F390 HydrophobicContact CB-CE2 4.2Å; P388-F390 HydrophobicContact CG-CE2 4.35Å; P388-A397 HydrophobicContact CB-CB 3.59Å | ||
| 389 | V | 81.3 | Confident | 81.9 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -104.1 | 110.1 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | I387 V391 L398 | I387-V389 PolarHBondContact O-N 2.94Å; V389-V391 HydrophobicContact CG1-CG2 4.06Å; V389-V391 PolarHBondContact O-N 3.04Å; V389-L398 WeakPolarHBondContact CB-O 3.36Å; V389-L398 PolarHBondContact N-O 3.14Å; V389-L398 PolarHBondContact O-N 3.38Å |
| 390 | F | 79.9 | Confident | 81 | Confident | 168 Ų | 168 | 66 Ų | 66 | 74% | 0.737 | 39% | 0.387 | S | S | * | . | trans | -80.7 | 106.3 | 175 | -64.3 | -88 | 0 | 0 | 0 | 109.1 | P388 A397 | P388-F390 HydrophobicContact CB-CE2 4.2Å; P388-F390 HydrophobicContact CG-CE2 4.35Å; F390-A397 HydrophobicContact CD1-CB 3.79Å; F390-A397 HydrophobicContact CD2-CB 4.47Å; F390-A397 HydrophobicContact CE1-CB 3.55Å; F390-A397 HydrophobicContact CE2-CB 4.25Å; F390-A397 HydrophobicContact CG-CB 4.26Å; F390-A397 HydrophobicContact CZ-CB 3.8Å | ||
| 391 | V | 72.4 | Confident | 80.4 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | trans | -95.5 | 124.6 | 173.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | V389 G393 F394 L398 | V389-V391 HydrophobicContact CG1-CG2 4.06Å; V389-V391 PolarHBondContact O-N 3.04Å; V391-G393 PolarHBondContact O-N 3.06Å; V391-F394 HydrophobicContact CB-CD2 3.76Å; V391-F394 HydrophobicContact CB-CE2 4.4Å; V391-F394 HydrophobicContact CG1-CD2 3.67Å; V391-F394 HydrophobicContact CG1-CE2 3.89Å; V391-F394 PolarHBondContact O-N 3.33Å; V391-L398 HydrophobicContact CB-CD1 4.33Å; V391-L398 HydrophobicContact CG2-CD1 3.86Å | ||
| 392 | P | 73.2 | Confident | 79.9 | Confident | 127 Ų | 127 | 64.5 Ų | 64.5 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 127.3 | 176.9 | -24.2 | 32.9 | 0 | 0 | 0 | 111.3 | ||
| 393 | G | 72.3 | Confident | 79.3 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 76% | 0.763 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101 | -8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V391 | V391-G393 PolarHBondContact O-N 3.06Š|
| 394 | F | 65.5 | Low | 78.7 | Confident | 69 Ų | 69 | 57 Ų | 57 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | trans | -102.4 | 142.1 | 176.9 | -71.6 | -72 | 0 | 0 | 0 | 113.2 | V391 A396 V547 | V391-F394 HydrophobicContact CB-CD2 3.76Å; V391-F394 HydrophobicContact CB-CE2 4.4Å; V391-F394 HydrophobicContact CG1-CD2 3.67Å; V391-F394 HydrophobicContact CG1-CE2 3.89Å; V391-F394 PolarHBondContact O-N 3.33Å; F394-A396 VanDerWaalsContact C-N 3.29Å; F394-A396 PolarHBondContact O-N 3.44Å; F394-V547 HydrophobicContact CD1-CG1 3.26Å; F394-V547 HydrophobicContact CD2-CG1 4.24Å; F394-V547 HydrophobicContact CE1-CB 4.21Å; F394-V547 HydrophobicContact CE1-CG1 2.99Å; F394-V547 WeakPolarHBondContact CE1-O 3.48Å; F394-V547 HydrophobicContact CE2-CG1 3.97Å; F394-V547 HydrophobicContact CG-CG1 3.9Å; F394-V547 HydrophobicContact CZ-CG1 3.35Å | ||
| 395 | P | 65.8 | Low | 78.6 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -74.4 | -18.6 | -176.9 | 28.8 | -34 | 0 | 0 | 0 | 113.5 | ||
| 396 | A | 66.2 | Low | 78.7 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -129.9 | 148.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | L146 F394 L398 | L146-A396 HydrophobicContact CD2-CB 4.09Å; F394-A396 VanDerWaalsContact C-N 3.29Å; F394-A396 PolarHBondContact O-N 3.44Å; A396-L398 PolarHBondContact O-N 3.19Å |
| 397 | A | 72.9 | Confident | 78.8 | Confident | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | trans | -67.1 | 123.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P388 F390 | P388-A397 HydrophobicContact CB-CB 3.59Å; F390-A397 HydrophobicContact CD1-CB 3.79Å; F390-A397 HydrophobicContact CD2-CB 4.47Å; F390-A397 HydrophobicContact CE1-CB 3.55Å; F390-A397 HydrophobicContact CE2-CB 4.25Å; F390-A397 HydrophobicContact CG-CB 4.26Å; F390-A397 HydrophobicContact CZ-CB 3.8Å | ||
| 398 | L | 69.8 | Low | 78.8 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 129.5 | -179.4 | -60.7 | -179 | 0 | 0 | 0 | 109.7 | I142 V389 V391 A396 V547 | I142-L398 HydrophobicContact CD1-CD2 4.22Å; V389-L398 WeakPolarHBondContact CB-O 3.36Å; V389-L398 PolarHBondContact N-O 3.14Å; V389-L398 PolarHBondContact O-N 3.38Å; V391-L398 HydrophobicContact CB-CD1 4.33Å; V391-L398 HydrophobicContact CG2-CD1 3.86Å; A396-L398 PolarHBondContact O-N 3.19Å; L398-V547 HydrophobicContact CD1-CG1 4.01Å; L398-V547 HydrophobicContact CD1-CG2 4.43Å; L398-V547 HydrophobicContact CD2-CB 4.34Å; L398-V547 HydrophobicContact CD2-CG1 3.96Å; L398-V547 HydrophobicContact CD2-CG2 3.35Å |
| 399 | K | 79.4 | Confident | 79.2 | Confident | 81 Ų | 81 | 48 Ų | 48 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | trans | -110.8 | 142.6 | 171 | -69.5 | 177.1 | -175.8 | 170.5 | 0 | 108.6 | G401 | K399-G401 PolarHBondContact O-N 3.17Š| ||
| 400 | L | 78.8 | Confident | 79.7 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | trans | -65.3 | -28.1 | 171.2 | -75.7 | 167.7 | 0 | 0 | 0 | 111.3 | L384 G385 G404 I408 Q543 | L384-L400 HydrophobicContact CD2-CD1 4.49Å; L384-L400 HydrophobicContact CG-CD1 4.23Å; G385-L400 PolarHBondContact O-N 2.89Å; L400-G404 VanDerWaalsContact O-CA 3.3Å; L400-G404 WeakPolarHBondContact O-CA 3.08Å; L400-G404 PolarHBondContact O-N 3.11Å; L400-G404 VanDerWaalsContact O-N 3.08Å; L400-I408 HydrophobicContact CD1-CD1 3.77Å; L400-I408 HydrophobicContact CD2-CD1 3.75Å; L400-I408 HydrophobicContact CG-CD1 4.37Å; L400-Q543 PolarHBondContact O-NE2 3.32Å | ||
| 401 | G | 83.5 | Confident | 80 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | 78.6 | -176.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G385 K399 A403 G405 | G385-G401 VanDerWaalsContact CA-O 3.26Å; G385-G401 WeakPolarHBondContact CA-O 3.36Å; G385-G401 PolarHBondContact O-N 2.78Å; K399-G401 PolarHBondContact O-N 3.17Å; G401-A403 VanDerWaalsContact C-N 3.26Å; G401-G405 PolarHBondContact O-N 3.4Å |
| 402 | L | 85.3 | Confident | 80.9 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.2 | -17.9 | 177.1 | -57.8 | -179.2 | 0 | 0 | 0 | 111.9 | E64 I68 V382 P406 | E64-L402 HydrophobicContact CB-CD1 3.99Å; E64-L402 HydrophobicContact CG-CD1 4.21Å; I68-L402 HydrophobicContact CD1-CB 4.12Å; I68-L402 HydrophobicContact CD1-CD1 4.26Å; I68-L402 HydrophobicContact CD1-CD2 4.2Å; I68-L402 HydrophobicContact CD1-CG 4.41Å; I68-L402 HydrophobicContact CG1-CB 3.91Å; V382-L402 HydrophobicContact CB-CD2 4.34Å; V382-L402 HydrophobicContact CG1-CD2 3.77Å; V382-L402 HydrophobicContact CG2-CD2 4Å; L402-P406 VanDerWaalsContact O-CD 3.24Å; L402-P406 WeakPolarHBondContact O-CD 3.28Å; L402-P406 WeakPolarHBondContact O-CG 3.43Å |
| 403 | A | 81.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -81 | -58.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L67 V71 A138 G401 L407 | L67-A403 HydrophobicContact CD2-CB 4.12Å; L67-A403 HydrophobicContact CG-CB 4.48Å; V71-A403 WeakPolarHBondContact CG1-O 3.35Å; A138-A403 HydrophobicContact CB-CB 3.75Å; G401-A403 VanDerWaalsContact C-N 3.26Å; A403-L407 PolarHBondContact O-N 3.01Å |
| 404 | G | 82.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.7 | -41.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L400 L407 I408 | L400-G404 VanDerWaalsContact O-CA 3.3Å; L400-G404 WeakPolarHBondContact O-CA 3.08Å; L400-G404 PolarHBondContact O-N 3.11Å; L400-G404 VanDerWaalsContact O-N 3.08Å; G404-L407 WeakPolarHBondContact O-CB 3.35Å; G404-L407 PolarHBondContact O-N 2.83Å; G404-I408 WeakPolarHBondContact O-CG1 3.3Å; G404-I408 PolarHBondContact O-N 3.27Å |
| 405 | G | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -55.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | G381 G401 L407 I408 M409 | G381-G405 CarbonylContact O-C 3.57Å; G381-G405 VanDerWaalsContact O-CA 3.23Å; G381-G405 WeakPolarHBondContact O-CA 3.34Å; G401-G405 PolarHBondContact O-N 3.4Å; G405-L407 VanDerWaalsContact C-N 3.3Å; G405-L407 PolarHBondContact O-N 2.85Å; G405-I408 PolarHBondContact O-N 2.8Å; G405-M409 PolarHBondContact O-N 3.04Å |
| 406 | P | 92.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -37.6 | 174 | -30.5 | 40.4 | 0 | 0 | 0 | 114 | I68 G381 V382 L402 A410 | I68-P406 HydrophobicContact CG1-CG 4.43Å; I68-P406 HydrophobicContact CG2-CB 4.45Å; I68-P406 HydrophobicContact CG2-CG 4.28Å; G381-P406 WeakPolarHBondContact O-CD 3.21Å; V382-P406 HydrophobicContact CG2-CG 4.24Å; L402-P406 VanDerWaalsContact O-CD 3.24Å; L402-P406 WeakPolarHBondContact O-CD 3.28Å; L402-P406 WeakPolarHBondContact O-CG 3.43Å; P406-A410 WeakPolarHBondContact O-CB 3.39Å; P406-A410 PolarHBondContact O-N 3.44Å |
| 407 | L | 89.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -53.9 | 174.4 | -176.6 | 66.2 | 0 | 0 | 0 | 111.7 | V71 I74 A403 G404 G405 A410 L411 F536 I539 | V71-L407 HydrophobicContact CG1-CB 3.49Å; V71-L407 VanDerWaalsContact CG1-CB 3.49Å; V71-L407 HydrophobicContact CG1-CD1 3.93Å; V71-L407 HydrophobicContact CG1-CG 4.2Å; I74-L407 HydrophobicContact CG2-CD1 3.86Å; A403-L407 PolarHBondContact O-N 3.01Å; G404-L407 WeakPolarHBondContact O-CB 3.35Å; G404-L407 PolarHBondContact O-N 2.83Å; G405-L407 VanDerWaalsContact C-N 3.3Å; G405-L407 PolarHBondContact O-N 2.85Å; L407-A410 PolarHBondContact O-N 3.49Å; L407-L411 HydrophobicContact CD1-CD1 4.43Å; L407-L411 HydrophobicContact CD1-CG 4.5Å; L407-L411 HydrophobicContact CG-CD1 4.04Å; L407-L411 HydrophobicContact CG-CG 4.48Å; L407-L411 WeakPolarHBondContact O-CG 3.5Å; L407-L411 PolarHBondContact O-N 2.87Å; L407-F536 HydrophobicContact CD2-CD2 4.11Å; L407-I539 HydrophobicContact CD1-CD1 4.4Å; L407-I539 HydrophobicContact CD2-CB 4.4Å; L407-I539 HydrophobicContact CD2-CD1 3.47Å; L407-I539 VanDerWaalsContact CD2-CD1 3.47Å; L407-I539 HydrophobicContact CD2-CG2 4.28Å |
| 408 | I | 88.8 | Confident | 84.1 | Confident | 38 Ų | 38 | 30.6 Ų | 30.6 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | -174 | -71 | 167.6 | 0 | 0 | 0 | 110 | L384 L400 G404 G405 A410 L411 I412 F536 | L384-I408 HydrophobicContact CD2-CB 4.08Å; L384-I408 HydrophobicContact CD2-CG2 3.78Å; L400-I408 HydrophobicContact CD1-CD1 3.77Å; L400-I408 HydrophobicContact CD2-CD1 3.75Å; L400-I408 HydrophobicContact CG-CD1 4.37Å; G404-I408 WeakPolarHBondContact O-CG1 3.3Å; G404-I408 PolarHBondContact O-N 3.27Å; G405-I408 PolarHBondContact O-N 2.8Å; I408-A410 VanDerWaalsContact C-N 3.33Å; I408-A410 PolarHBondContact O-N 2.95Å; I408-L411 WeakPolarHBondContact O-CB 3.31Å; I408-L411 PolarHBondContact O-N 3.33Å; I408-I412 HydrophobicContact CG2-CD1 3.88Å; I408-I412 WeakPolarHBondContact O-CG1 3.02Å; I408-I412 PolarHBondContact O-N 2.85Å; I408-F536 HydrophobicContact CD1-CE2 4.31Å; I408-F536 HydrophobicContact CG1-CE2 4Å |
| 409 | M | 93.8 | Very high | 84.5 | Confident | 31 Ų | 31 | 33 Ų | 33 | 15% | 0.153 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.6 | -79.8 | -44.6 | -53 | 0 | 0 | 112.2 | L380 L384 G405 L411 I412 L413 | L380-M409 HydrophobicContact CB-CE 4.49Å; L380-M409 HydrophobicContact CB-CG 4.3Å; L384-M409 HydrophobicContact CB-CG 4.04Å; L384-M409 HydrophobicContact CD2-CG 3.64Å; L384-M409 HydrophobicContact CD2-SD 3.76Å; L384-M409 HydrophobicContact CG-CG 4.47Å; G405-M409 PolarHBondContact O-N 3.04Å; M409-L411 PolarHBondContact O-N 3.02Å; M409-I412 PolarHBondContact O-N 2.9Å; M409-I412 HydrophobicContact SD-CD1 4.2Å; M409-L413 HydrophobicContact CE-CD1 4.11Å; M409-L413 HydrophobicContact CE-CD2 4.33Å; M409-L413 HydrophobicContact CE-CG 3.98Å; M409-L413 VanDerWaalsContact O-CB 3.31Å; M409-L413 WeakPolarHBondContact O-CB 3.48Å; M409-L413 WeakPolarHBondContact O-CG 3.01Å; M409-L413 PolarHBondContact O-N 3.27Å |
| 410 | A | 92 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y72 G75 I76 P406 L407 I408 G414 | Y72-A410 HydrophobicContact CD2-CB 3.61Å; Y72-A410 HydrophobicContact CE2-CB 3.83Å; Y72-A410 HydrophobicContact CG-CB 4.23Å; Y72-A410 VanDerWaalsContact O-CB 3.29Å; Y72-A410 WeakPolarHBondContact O-CB 3.25Å; G75-A410 CarbonylContact C-O 3.22Å; G75-A410 CarbonylContact O-C 3.59Å; I76-A410 HydrophobicContact CD1-CB 4.2Å; I76-A410 HydrophobicContact CG1-CB 3.98Å; P406-A410 WeakPolarHBondContact O-CB 3.39Å; P406-A410 PolarHBondContact O-N 3.44Å; L407-A410 PolarHBondContact O-N 3.49Å; I408-A410 VanDerWaalsContact C-N 3.33Å; I408-A410 PolarHBondContact O-N 2.95Å; A410-G414 WeakPolarHBondContact O-CA 3.16Å; A410-G414 PolarHBondContact O-N 2.93Å |
| 411 | L | 86.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.5 | -76.8 | 170.1 | 0 | 0 | 0 | 111.7 | V78 G79 F82 L407 I408 M409 R415 F536 | V78-L411 HydrophobicContact CB-CD2 4.29Å; V78-L411 HydrophobicContact CG2-CD2 3.52Å; G79-L411 WeakPolarHBondContact CA-O 3.33Å; F82-L411 HydrophobicContact CB-CD2 4.04Å; F82-L411 HydrophobicContact CD2-CD2 4.4Å; F82-L411 HydrophobicContact CG-CD2 4.29Å; L407-L411 HydrophobicContact CD1-CD1 4.43Å; L407-L411 HydrophobicContact CD1-CG 4.5Å; L407-L411 HydrophobicContact CG-CD1 4.04Å; L407-L411 HydrophobicContact CG-CG 4.48Å; L407-L411 WeakPolarHBondContact O-CG 3.5Å; L407-L411 PolarHBondContact O-N 2.87Å; I408-L411 WeakPolarHBondContact O-CB 3.31Å; I408-L411 PolarHBondContact O-N 3.33Å; M409-L411 PolarHBondContact O-N 3.02Å; L411-R415 VanDerWaalsContact O-CB 3.3Å; L411-R415 WeakPolarHBondContact O-CB 3.35Å; L411-R415 PolarHBondContact O-N 3.45Å; L411-F536 HydrophobicContact CD1-CD2 4.15Å |
| 412 | I | 89.2 | Confident | 84.1 | Confident | 68 Ų | 68 | 40 Ų | 40 | 35% | 0.349 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -52.2 | 179 | -67 | 166.8 | 0 | 0 | 0 | 110.3 | I408 M409 R415 I416 | I408-I412 HydrophobicContact CG2-CD1 3.88Å; I408-I412 WeakPolarHBondContact O-CG1 3.02Å; I408-I412 PolarHBondContact O-N 2.85Å; M409-I412 PolarHBondContact O-N 2.9Å; M409-I412 HydrophobicContact SD-CD1 4.2Å; I412-R415 WeakPolarHBondContact O-CB 3.44Å; I412-R415 PolarHBondContact O-N 2.82Å; I412-I416 HydrophobicContact CG2-CD1 3.84Å; I412-I416 VanDerWaalsContact O-CG1 3.32Å; I412-I416 WeakPolarHBondContact O-CG1 3.45Å; I412-I416 PolarHBondContact O-N 3.47Å |
| 413 | L | 90.6 | Very high | 83.8 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | -178 | -67.2 | 169.5 | 0 | 0 | 0 | 111.3 | I76 M409 R415 I416 G417 I419 W424 | I76-L413 HydrophobicContact CD1-CB 4.33Å; M409-L413 HydrophobicContact CE-CD1 4.11Å; M409-L413 HydrophobicContact CE-CD2 4.33Å; M409-L413 HydrophobicContact CE-CG 3.98Å; M409-L413 VanDerWaalsContact O-CB 3.31Å; M409-L413 WeakPolarHBondContact O-CB 3.48Å; M409-L413 WeakPolarHBondContact O-CG 3.01Å; M409-L413 PolarHBondContact O-N 3.27Å; L413-R415 VanDerWaalsContact C-N 3.27Å; L413-R415 PolarHBondContact O-N 3.34Å; L413-I416 PolarHBondContact O-N 3.47Å; L413-I416 VanDerWaalsContact O-N 3.14Å; L413-G417 PolarHBondContact O-N 3.41Å; L413-I419 HydrophobicContact CD2-CD1 4.38Å; L413-W424 HydrophobicContact CB-CB 4.06Å; L413-W424 HydrophobicContact CB-CD2 3.85Å; L413-W424 HydrophobicContact CB-CE3 3.93Å; L413-W424 HydrophobicContact CB-CG 3.87Å; L413-W424 HydrophobicContact CD1-CD2 4.37Å; L413-W424 HydrophobicContact CD1-CE3 3.78Å; L413-W424 HydrophobicContact CD1-CH2 4.29Å; L413-W424 HydrophobicContact CD1-CZ3 3.71Å; L413-W424 HydrophobicContact CD2-CD2 3.9Å; L413-W424 HydrophobicContact CD2-CE3 4.13Å; L413-W424 HydrophobicContact CD2-CG 4.44Å; L413-W424 HydrophobicContact CD2-CH2 4.14Å; L413-W424 HydrophobicContact CD2-CZ2 3.93Å; L413-W424 HydrophobicContact CD2-CZ3 4.21Å; L413-W424 HydrophobicContact CG-CD2 4.24Å; L413-W424 HydrophobicContact CG-CE3 4.16Å; L413-W424 HydrophobicContact CG-CZ3 4.4Å; L413-W424 WeakPolarHBondContact O-CB 3.34Å |
| 414 | G | 83 | Confident | 83.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P80 A410 G417 | P80-G414 WeakPolarHBondContact CG-O 3.37Å; A410-G414 WeakPolarHBondContact O-CA 3.16Å; A410-G414 PolarHBondContact O-N 2.93Å; G414-G417 PolarHBondContact O-N 3.11Å |
| 415 | R | 79.7 | Confident | 83.5 | Confident | 116 Ų | 116 | 43.1 Ų | 43.1 | 44% | 0.438 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69 | -38.9 | 174.2 | 173.4 | 60.1 | -173.2 | 93 | 1.3 | 113 | F83 L411 I412 L413 | F83-R415 HydrophobicContact CD2-CB 3.75Å; F83-R415 HydrophobicContact CD2-CG 3.55Å; F83-R415 HydrophobicContact CE2-CB 3.78Å; F83-R415 HydrophobicContact CE2-CG 3.86Å; F83-R415 HydrophobicContact CG-CG 4.22Å; L411-R415 VanDerWaalsContact O-CB 3.3Å; L411-R415 WeakPolarHBondContact O-CB 3.35Å; L411-R415 PolarHBondContact O-N 3.45Å; I412-R415 WeakPolarHBondContact O-CB 3.44Å; I412-R415 PolarHBondContact O-N 2.82Å; L413-R415 VanDerWaalsContact C-N 3.27Å; L413-R415 PolarHBondContact O-N 3.34Å |
| 416 | I | 81.5 | Confident | 83.2 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 175.7 | -68 | 165.1 | 0 | 0 | 0 | 109.7 | I412 L413 S418 I419 | I412-I416 HydrophobicContact CG2-CD1 3.84Å; I412-I416 VanDerWaalsContact O-CG1 3.32Å; I412-I416 WeakPolarHBondContact O-CG1 3.45Å; I412-I416 PolarHBondContact O-N 3.47Å; L413-I416 PolarHBondContact O-N 3.47Å; L413-I416 VanDerWaalsContact O-N 3.14Å; I416-S418 WeakPolarHBondContact CG2-O 3.41Å; I416-S418 PolarHBondContact O-N 2.96Å; I416-I419 HydrophobicContact CD1-CD1 4.46Å; I416-I419 HydrophobicContact CG2-CD1 4.21Å; I416-I419 HydrophobicContact CG2-CG1 3.65Å |
| 417 | G | 73 | Confident | 82.5 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | trans | 79.3 | -49.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L413 G414 W424 | L413-G417 PolarHBondContact O-N 3.41Å; G414-G417 PolarHBondContact O-N 3.11Å; G417-W424 PolarHBondContact O-N 3.22Å | ||
| 418 | S | 76 | Confident | 81.9 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.7 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 113 | I416 L422 | I416-S418 WeakPolarHBondContact CG2-O 3.41Å; I416-S418 PolarHBondContact O-N 2.96Å; S418-L422 CarbonylContact C-O 3.57Å; S418-L422 WeakPolarHBondContact CA-O 3.33Å; S418-L422 WeakPolarHBondContact CB-O 3.41Å |
| 419 | I | 78.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 45% | 0.451 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 105.4 | 169.5 | -61.5 | 171.3 | 0 | 0 | 0 | 107.9 | L413 I416 K421 L422 W424 | L413-I419 HydrophobicContact CD2-CD1 4.38Å; I416-I419 HydrophobicContact CD1-CD1 4.46Å; I416-I419 HydrophobicContact CG2-CD1 4.21Å; I416-I419 HydrophobicContact CG2-CG1 3.65Å; I419-K421 PolarHBondContact O-N 3.19Å; I419-L422 PolarHBondContact N-O 3.17Å; I419-L422 WeakPolarHBondContact O-CB 3.29Å; I419-L422 PolarHBondContact O-N 3Å; I419-W424 HydrophobicContact CD1-CZ2 4.12Å |
| 420 | G | 77.9 | Confident | 81.1 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | -121.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L422 | G420-L422 VanDerWaalsContact C-N 3.35Š|
| 421 | K | 74.7 | Confident | 80.9 | Confident | 167 Ų | 167 | 50.4 Ų | 50.4 | 73% | 0.726 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0 | 178.6 | -60.1 | -176.9 | -179.3 | -179.9 | 0 | 114 | Q370 I419 Y423 | Q370-K421 PolarHBondContact OE1-O 3.27Å; I419-K421 PolarHBondContact O-N 3.19Å; K421-Y423 VanDerWaalsContact O-CD2 3.28Å; K421-Y423 WeakPolarHBondContact O-CD2 3.44Å |
| 422 | L | 81.6 | Confident | 80.8 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119 | 178.3 | -63.8 | 174.6 | 0 | 0 | 0 | 109.4 | L372 P373 I376 S418 I419 G420 W424 | L372-L422 HydrophobicContact CD2-CD2 3.62Å; L372-L422 HydrophobicContact CG-CD2 3.97Å; P373-L422 HydrophobicContact CG-CB 4.14Å; P373-L422 HydrophobicContact CG-CD2 3.95Å; I376-L422 HydrophobicContact CD1-CD1 4.04Å; S418-L422 CarbonylContact C-O 3.57Å; S418-L422 WeakPolarHBondContact CA-O 3.33Å; S418-L422 WeakPolarHBondContact CB-O 3.41Å; I419-L422 PolarHBondContact N-O 3.17Å; I419-L422 WeakPolarHBondContact O-CB 3.29Å; I419-L422 PolarHBondContact O-N 3Å; G420-L422 VanDerWaalsContact C-N 3.35Å; L422-W424 HydrophobicContact CB-CZ2 4.16Å; L422-W424 HydrophobicContact CD1-CZ2 4.18Å |
| 423 | Y | 77.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.6 | 179.4 | -62.6 | -102.5 | 0 | 0 | 0 | 110.2 | E299 L302 F339 P373 K421 F425 | E299-Y423 HydrophobicContact CG-CE1 4.43Å; E299-Y423 HydrophobicContact CG-CE2 4.41Å; E299-Y423 WeakPolarHBondContact CG-OH 3.46Å; E299-Y423 VanDerWaalsContact OE1-CE2 3.3Å; E299-Y423 WeakPolarHBondContact OE1-CE2 3.37Å; E299-Y423 VanDerWaalsContact OE1-CZ 3.28Å; E299-Y423 PolarHBondContact OE1-OH 3.3Å; L302-Y423 HydrophobicContact CD1-CE1 4.06Å; F339-Y423 HydrophobicContact CD2-CD1 4.33Å; F339-Y423 AromaticContact CD2-CE1 3.83Å; F339-Y423 HydrophobicContact CD2-CE1 3.83Å; F339-Y423 HydrophobicContact CE2-CE1 4.04Å; F339-Y423 HydrophobicContact CG-CD1 4.37Å; F339-Y423 HydrophobicContact CG-CE1 4.27Å; P373-Y423 WeakPolarHBondContact CB-O 3.48Å; P373-Y423 WeakPolarHBondContact CG-O 3.18Å; K421-Y423 VanDerWaalsContact O-CD2 3.28Å; K421-Y423 WeakPolarHBondContact O-CD2 3.44Å; Y423-F425 PolarHBondContact O-N 2.9Å; Y423-F425 VanDerWaalsContact O-N 3.08Å |
| 424 | W | 83 | Confident | 80.9 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | trans | -86.3 | 39.7 | 176.4 | -46.3 | 102.9 | 0 | 0 | 0 | 110.3 | I76 P373 I376 L413 G417 I419 L422 | I76-W424 HydrophobicContact CD1-CB 4.35Å; P373-W424 HydrophobicContact CB-CD2 4.25Å; P373-W424 HydrophobicContact CB-CE3 3.67Å; P373-W424 HydrophobicContact CB-CH2 4.46Å; P373-W424 HydrophobicContact CB-CZ3 3.83Å; P373-W424 WeakPolarHBondContact O-CZ3 3.46Å; I376-W424 HydrophobicContact CB-CH2 4.03Å; I376-W424 HydrophobicContact CB-CZ3 4.26Å; I376-W424 HydrophobicContact CG2-CH2 3.72Å; I376-W424 HydrophobicContact CG2-CZ3 4.28Å; L413-W424 HydrophobicContact CB-CB 4.06Å; L413-W424 HydrophobicContact CB-CD2 3.85Å; L413-W424 HydrophobicContact CB-CE3 3.93Å; L413-W424 HydrophobicContact CB-CG 3.87Å; L413-W424 HydrophobicContact CD1-CD2 4.37Å; L413-W424 HydrophobicContact CD1-CE3 3.78Å; L413-W424 HydrophobicContact CD1-CH2 4.29Å; L413-W424 HydrophobicContact CD1-CZ3 3.71Å; L413-W424 HydrophobicContact CD2-CD2 3.9Å; L413-W424 HydrophobicContact CD2-CE3 4.13Å; L413-W424 HydrophobicContact CD2-CG 4.44Å; L413-W424 HydrophobicContact CD2-CH2 4.14Å; L413-W424 HydrophobicContact CD2-CZ2 3.93Å; L413-W424 HydrophobicContact CD2-CZ3 4.21Å; L413-W424 HydrophobicContact CG-CD2 4.24Å; L413-W424 HydrophobicContact CG-CE3 4.16Å; L413-W424 HydrophobicContact CG-CZ3 4.4Å; L413-W424 WeakPolarHBondContact O-CB 3.34Å; G417-W424 PolarHBondContact O-N 3.22Å; I419-W424 HydrophobicContact CD1-CZ2 4.12Å; L422-W424 HydrophobicContact CB-CZ2 4.16Å; L422-W424 HydrophobicContact CD1-CZ2 4.18Å | ||
| 425 | F | 75.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | trans | -118.1 | 131 | 175.2 | 173.7 | -95.2 | 0 | 0 | 0 | 108.1 | F339 L366 Y423 | F339-F425 HydrophobicContact CD1-CD1 4.35Å; F339-F425 HydrophobicContact CD1-CG 4.39Å; F339-F425 AromaticContact CE1-CD1 3.84Å; F339-F425 HydrophobicContact CE1-CD1 3.84Å; F339-F425 HydrophobicContact CE1-CE1 4.32Å; F339-F425 HydrophobicContact CE1-CG 4.31Å; L366-F425 HydrophobicContact CD2-CE1 4.16Å; Y423-F425 PolarHBondContact O-N 2.9Å; Y423-F425 VanDerWaalsContact O-N 3.08Å | ||
| 426 | M | 82.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | trans | -111 | 128.7 | 172.6 | -167.3 | 173.5 | -66.9 | 0 | 0 | 109.4 | T73 I76 V369 V374 A430 N431 L434 | T73-M426 HydrophobicContact CG2-SD 4.47Å; I76-M426 HydrophobicContact CG2-CB 4.4Å; V369-M426 HydrophobicContact CG1-CE 4.2Å; V369-M426 HydrophobicContact CG1-CG 4.43Å; V369-M426 HydrophobicContact CG2-CG 4.21Å; V374-M426 HydrophobicContact CB-CE 4.44Å; V374-M426 HydrophobicContact CG1-CE 4.29Å; V374-M426 HydrophobicContact CG2-CE 3.29Å; M426-A430 HydrophobicContact CG-CB 3.95Å; M426-A430 HydrophobicContact SD-CB 4.27Å; M426-N431 HydrophobicContact CB-CB 4.03Å; M426-N431 HydrophobicContact CG-CB 3.87Å; M426-N431 WeakPolarHBondContact SD-CA 3.42Å; M426-N431 HydrophobicContact SD-CB 3.83Å; M426-N431 PolarHBondContact SD-N 3.47Å; M426-N431 VanDerWaalsContact SD-N 3.43Å; M426-L434 HydrophobicContact CE-CD2 3.88Å; M426-L434 HydrophobicContact SD-CB 4.47Å; M426-L434 HydrophobicContact SD-CD2 4.27Å | ||
| 427 | P | 78 | Confident | 82.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | trans | -46.6 | 138.3 | 170.3 | -28.4 | 32.9 | 0 | 0 | 0 | 111.6 | L366 Q367 V369 S429 A430 N431 | L366-P427 WeakPolarHBondContact O-CB 3.3Å; L366-P427 WeakPolarHBondContact O-CG 3.49Å; Q367-P427 VanDerWaalsContact C-CG 3.46Å; V369-P427 HydrophobicContact CG2-CG 4.27Å; P427-S429 VanDerWaalsContact C-N 3.28Å; P427-S429 PolarHBondContact O-N 3.45Å; P427-A430 HydrophobicContact CB-CB 4.23Å; P427-A430 PolarHBondContact O-N 3.31Å; P427-A430 VanDerWaalsContact O-N 3.08Å; P427-N431 PolarHBondContact O-N 3.43Å | ||
| 428 | P | 76.1 | Confident | 83.3 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 66% | 0.656 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.5 | -40 | -175.4 | -29.2 | 35.3 | 0 | 0 | 0 | 114.4 | L432 | P428-L432 VanDerWaalsContact O-CB 3.26Å; P428-L432 WeakPolarHBondContact O-CB 3.44Å; P428-L432 PolarHBondContact O-N 2.95Å |
| 429 | S | 79.3 | Confident | 84.1 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 57% | 0.573 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 178.4 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | P427 L432 A433 | P427-S429 VanDerWaalsContact C-N 3.28Å; P427-S429 PolarHBondContact O-N 3.45Å; S429-L432 PolarHBondContact O-N 2.87Å; S429-A433 WeakPolarHBondContact O-CB 3.29Å; S429-A433 PolarHBondContact O-N 3.31Å |
| 430 | A | 87.1 | Confident | 84.9 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V369 M426 P427 L432 A433 L434 | V369-A430 HydrophobicContact CG2-CB 3.01Å; M426-A430 HydrophobicContact CG-CB 3.95Å; M426-A430 HydrophobicContact SD-CB 4.27Å; P427-A430 HydrophobicContact CB-CB 4.23Å; P427-A430 PolarHBondContact O-N 3.31Å; P427-A430 VanDerWaalsContact O-N 3.08Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 3.49Å; A430-A433 PolarHBondContact O-N 3.35Å; A430-L434 WeakPolarHBondContact O-CB 3.02Å; A430-L434 PolarHBondContact O-N 3.2Å |
| 431 | N | 87.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.1 | -165.5 | 68.4 | 0 | 0 | 0 | 110.7 | T73 Q77 M426 P427 R435 | T73-N431 WeakPolarHBondContact CA-OD1 3.48Å; T73-N431 VanDerWaalsContact CB-OD1 3.29Å; T73-N431 WeakPolarHBondContact CB-OD1 3.33Å; T73-N431 PolarHBondContact O-ND2 2.86Å; T73-N431 PolarHBondContact O-OD1 3.48Å; Q77-N431 PolarHBondContact OE1-ND2 3.39Å; M426-N431 HydrophobicContact CB-CB 4.03Å; M426-N431 HydrophobicContact CG-CB 3.87Å; M426-N431 WeakPolarHBondContact SD-CA 3.42Å; M426-N431 HydrophobicContact SD-CB 3.83Å; M426-N431 PolarHBondContact SD-N 3.47Å; M426-N431 VanDerWaalsContact SD-N 3.43Å; P427-N431 PolarHBondContact O-N 3.43Å; N431-R435 WeakPolarHBondContact O-CB 3.19Å; N431-R435 PolarHBondContact O-N 2.91Å |
| 432 | L | 84.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -51.9 | 173.9 | -175.3 | 65.4 | 0 | 0 | 0 | 111.1 | P428 S429 A430 L434 R435 E436 | P428-L432 VanDerWaalsContact O-CB 3.26Å; P428-L432 WeakPolarHBondContact O-CB 3.44Å; P428-L432 PolarHBondContact O-N 2.95Å; S429-L432 PolarHBondContact O-N 2.87Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 3.49Å; L432-L434 PolarHBondContact O-N 3.39Å; L432-R435 PolarHBondContact O-N 3.32Å; L432-E436 HydrophobicContact CD1-CG 4.15Å; L432-E436 WeakPolarHBondContact CD1-OE1 3.49Å; L432-E436 HydrophobicContact CG-CG 4.36Å; L432-E436 WeakPolarHBondContact O-CB 3.45Å; L432-E436 VanDerWaalsContact O-CG 3.28Å; L432-E436 WeakPolarHBondContact O-CG 3.31Å; L432-E436 PolarHBondContact O-N 3.14Å |
| 433 | A | 90.5 | Very high | 87.2 | Confident | 57 Ų | 57 | 38.2 Ų | 38.2 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -45.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S429 A430 E436 L437 | S429-A433 WeakPolarHBondContact O-CB 3.29Å; S429-A433 PolarHBondContact O-N 3.31Å; A430-A433 PolarHBondContact O-N 3.35Å; A433-E436 PolarHBondContact O-N 2.95Å; A433-L437 WeakPolarHBondContact O-CB 3.26Å; A433-L437 PolarHBondContact O-N 2.86Å |
| 434 | L | 92.6 | Very high | 88 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | -179.8 | -159.6 | 73.9 | 0 | 0 | 0 | 111.4 | L69 T73 V374 M426 A430 L432 G438 | L69-L434 HydrophobicContact CD2-CD1 4.46Å; L69-L434 HydrophobicContact CD2-CD2 4.29Å; L69-L434 HydrophobicContact CD2-CG 4.32Å; T73-L434 HydrophobicContact CG2-CB 3.87Å; T73-L434 HydrophobicContact CG2-CD2 3.73Å; T73-L434 HydrophobicContact CG2-CG 4.03Å; V374-L434 HydrophobicContact CG1-CD2 4.24Å; M426-L434 HydrophobicContact CE-CD2 3.88Å; M426-L434 HydrophobicContact SD-CB 4.47Å; M426-L434 HydrophobicContact SD-CD2 4.27Å; A430-L434 WeakPolarHBondContact O-CB 3.02Å; A430-L434 PolarHBondContact O-N 3.2Å; L432-L434 PolarHBondContact O-N 3.39Å; L434-G438 PolarHBondContact O-N 3.29Å |
| 435 | R | 90 | Very high | 88.5 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 173.7 | -172.8 | 175.9 | 63.2 | 175.9 | 1.2 | 111.5 | F70 T73 N431 L432 G438 I439 | F70-R435 HydrophobicContact CD2-CG 3.5Å; F70-R435 HydrophobicContact CE2-CG 3.79Å; T73-R435 HydrophobicContact CG2-CB 4.49Å; T73-R435 WeakPolarHBondContact OG1-CA 3.11Å; T73-R435 VanDerWaalsContact OG1-CB 3.25Å; T73-R435 WeakPolarHBondContact OG1-CB 3.33Å; T73-R435 WeakPolarHBondContact OG1-CG 3.31Å; N431-R435 WeakPolarHBondContact O-CB 3.19Å; N431-R435 PolarHBondContact O-N 2.91Å; L432-R435 PolarHBondContact O-N 3.32Å; R435-G438 PolarHBondContact O-N 3.35Å; R435-I439 VanDerWaalsContact O-CG2 3.31Å; R435-I439 WeakPolarHBondContact O-CG2 3.33Å; R435-I439 PolarHBondContact O-N 3.37Å |
| 436 | E | 90.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 178.7 | -74.6 | -169.4 | 179 | 0 | 0 | 111.6 | I33 L432 A433 G438 I439 V440 | I33-E436 HydrophobicContact CD1-CG 3.68Å; L432-E436 HydrophobicContact CD1-CG 4.15Å; L432-E436 WeakPolarHBondContact CD1-OE1 3.49Å; L432-E436 HydrophobicContact CG-CG 4.36Å; L432-E436 WeakPolarHBondContact O-CB 3.45Å; L432-E436 VanDerWaalsContact O-CG 3.28Å; L432-E436 WeakPolarHBondContact O-CG 3.31Å; L432-E436 PolarHBondContact O-N 3.14Å; A433-E436 PolarHBondContact O-N 2.95Å; E436-G438 PolarHBondContact O-N 2.93Å; E436-I439 WeakPolarHBondContact O-CG2 3.4Å; E436-I439 PolarHBondContact O-N 3.49Å; E436-V440 WeakPolarHBondContact O-CB 3.45Å; E436-V440 WeakPolarHBondContact O-CG2 3.35Å; E436-V440 PolarHBondContact O-N 2.83Å |
| 437 | L | 94 | Very high | 89.8 | Confident | 92 Ų | 92 | 32.6 Ų | 32.6 | 48% | 0.482 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 174.3 | -175.4 | 68.4 | 0 | 0 | 0 | 111.2 | A433 I439 V440 L441 | A433-L437 WeakPolarHBondContact O-CB 3.26Å; A433-L437 PolarHBondContact O-N 2.86Å; L437-I439 PolarHBondContact O-N 3Å; L437-V440 PolarHBondContact O-N 2.87Å; L437-L441 HydrophobicContact CG-CD1 4.25Å; L437-L441 VanDerWaalsContact O-CG 3.31Å; L437-L441 WeakPolarHBondContact O-CG 3.4Å; L437-L441 PolarHBondContact O-N 2.91Å |
| 438 | G | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G66 L434 R435 E436 L441 F442 | G66-G438 CarbonylContact C-O 3.23Å; G66-G438 VanDerWaalsContact C-O 3.23Å; G66-G438 WeakPolarHBondContact CA-O 3.34Å; G66-G438 CarbonylContact O-C 3.56Å; G66-G438 VanDerWaalsContact O-C 3.22Å; G66-G438 WeakPolarHBondContact O-CA 3.34Å; G66-G438 VanDerWaalsContact O-O 3.14Å; L434-G438 PolarHBondContact O-N 3.29Å; R435-G438 PolarHBondContact O-N 3.35Å; E436-G438 PolarHBondContact O-N 2.93Å; G438-L441 PolarHBondContact O-N 2.89Å; G438-F442 WeakPolarHBondContact O-CB 3.5Å; G438-F442 PolarHBondContact O-N 3.21Å |
| 439 | I | 91.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -34 | 179.6 | -171.6 | 163.4 | 0 | 0 | 0 | 112.7 | I33 F70 T133 R435 E436 L437 F442 L443 | I33-I439 HydrophobicContact CG2-CB 4.32Å; I33-I439 HydrophobicContact CG2-CD1 3.99Å; I33-I439 HydrophobicContact CG2-CG1 3.94Å; I33-I439 HydrophobicContact CG2-CG2 3.44Å; I33-I439 VanDerWaalsContact CG2-CG2 3.44Å; F70-I439 HydrophobicContact CB-CB 4.44Å; F70-I439 HydrophobicContact CD1-CB 4.41Å; F70-I439 HydrophobicContact CD2-CB 3.7Å; F70-I439 HydrophobicContact CD2-CD1 4.32Å; F70-I439 HydrophobicContact CD2-CG1 4.47Å; F70-I439 HydrophobicContact CD2-CG2 4.32Å; F70-I439 HydrophobicContact CE1-CD1 4Å; F70-I439 HydrophobicContact CE1-CG1 4.49Å; F70-I439 HydrophobicContact CE2-CB 4.01Å; F70-I439 HydrophobicContact CE2-CD1 3.75Å; F70-I439 HydrophobicContact CE2-CG1 4.39Å; F70-I439 HydrophobicContact CG-CB 3.95Å; F70-I439 HydrophobicContact CZ-CB 4.48Å; F70-I439 HydrophobicContact CZ-CD1 3.59Å; F70-I439 HydrophobicContact CZ-CG1 4.41Å; T133-I439 HydrophobicContact CG2-CD1 4.03Å; T133-I439 HydrophobicContact CG2-CG1 4.23Å; R435-I439 VanDerWaalsContact O-CG2 3.31Å; R435-I439 WeakPolarHBondContact O-CG2 3.33Å; R435-I439 PolarHBondContact O-N 3.37Å; E436-I439 WeakPolarHBondContact O-CG2 3.4Å; E436-I439 PolarHBondContact O-N 3.49Å; L437-I439 PolarHBondContact O-N 3Å; I439-F442 PolarHBondContact O-N 3.45Å; I439-L443 HydrophobicContact CD1-CD1 4.09Å; I439-L443 HydrophobicContact CG1-CD1 3.68Å; I439-L443 HydrophobicContact CG1-CG 3.87Å; I439-L443 VanDerWaalsContact O-CB 3.29Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.29Å; I439-L443 PolarHBondContact O-N 3.45Å |
| 440 | V | 94.7 | Very high | 91.9 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 11% | 0.109 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 109.8 | A15 L19 V36 E436 L437 S444 | A15-V440 HydrophobicContact CB-CG1 3.71Å; L19-V440 HydrophobicContact CD2-CG2 4.09Å; V36-V440 HydrophobicContact CG1-CG1 4.4Å; V36-V440 HydrophobicContact CG2-CG2 4.13Å; E436-V440 WeakPolarHBondContact O-CB 3.45Å; E436-V440 WeakPolarHBondContact O-CG2 3.35Å; E436-V440 PolarHBondContact O-N 2.83Å; L437-V440 PolarHBondContact O-N 2.87Å; V440-S444 WeakPolarHBondContact O-CB 3.41Å; V440-S444 PolarHBondContact O-N 3.23Å; V440-S444 PolarHBondContact O-OG 2.9Å |
| 441 | L | 95.5 | Very high | 92 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 25% | 0.246 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 177 | -68.7 | 175.9 | 0 | 0 | 0 | 111.7 | I62 L437 G438 V445 | I62-L441 HydrophobicContact CG2-CB 3.88Å; I62-L441 HydrophobicContact CG2-CD2 3.9Å; I62-L441 HydrophobicContact CG2-CG 4.36Å; L437-L441 HydrophobicContact CG-CD1 4.25Å; L437-L441 VanDerWaalsContact O-CG 3.31Å; L437-L441 WeakPolarHBondContact O-CG 3.4Å; L437-L441 PolarHBondContact O-N 2.91Å; G438-L441 PolarHBondContact O-N 2.89Å; L441-V445 PolarHBondContact O-N 2.95Å |
| 442 | F | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -54.2 | 179 | 176 | -101.6 | 0 | 0 | 0 | 112.4 | Q63 L67 T133 L136 G438 I439 S444 V445 V446 | Q63-F442 HydrophobicContact CG-CD2 3.64Å; Q63-F442 HydrophobicContact CG-CE2 3.81Å; Q63-F442 WeakPolarHBondContact O-CD2 3.48Å; L67-F442 HydrophobicContact CB-CD2 3.78Å; L67-F442 HydrophobicContact CB-CE2 4.22Å; L67-F442 HydrophobicContact CB-CG 4.44Å; L67-F442 HydrophobicContact CD1-CD2 4.26Å; L67-F442 HydrophobicContact CD1-CE2 4.16Å; L67-F442 HydrophobicContact CD1-CZ 4.43Å; L67-F442 HydrophobicContact CD2-CE2 4.2Å; L67-F442 HydrophobicContact CG-CD2 4.44Å; L67-F442 HydrophobicContact CG-CE2 4.44Å; T133-F442 HydrophobicContact CG2-CD1 3.63Å; T133-F442 HydrophobicContact CG2-CE1 3.51Å; L136-F442 HydrophobicContact CD2-CE1 4.05Å; L136-F442 HydrophobicContact CD2-CZ 4.2Å; L136-F442 HydrophobicContact CG-CE1 4.43Å; L136-F442 HydrophobicContact CG-CZ 4.2Å; G438-F442 WeakPolarHBondContact O-CB 3.5Å; G438-F442 PolarHBondContact O-N 3.21Å; I439-F442 PolarHBondContact O-N 3.45Å; F442-S444 VanDerWaalsContact C-N 3.29Å; F442-S444 PolarHBondContact O-N 3.47Å; F442-V445 PolarHBondContact O-N 3.17Å; F442-V446 HydrophobicContact CD1-CG2 4.33Å; F442-V446 HydrophobicContact CD2-CG2 4.42Å; F442-V446 HydrophobicContact CE1-CG2 3.92Å; F442-V446 HydrophobicContact CE2-CG2 4.03Å; F442-V446 HydrophobicContact CZ-CG2 3.76Å; F442-V446 WeakPolarHBondContact O-CG2 3.38Å; F442-V446 PolarHBondContact O-N 2.92Å; F442-V446 VanDerWaalsContact O-N 3.09Å |
| 443 | L | 93.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -28.8 | -177.7 | -72.5 | -177.8 | 0 | 0 | 0 | 112.8 | I33 V36 L37 T133 Y160 I439 V445 G447 | I33-L443 HydrophobicContact CG2-CD1 4.37Å; V36-L443 HydrophobicContact CB-CB 4.12Å; V36-L443 HydrophobicContact CG1-CB 3.92Å; L37-L443 HydrophobicContact CB-CD2 4.38Å; L37-L443 HydrophobicContact CD1-CD2 4.24Å; T133-L443 HydrophobicContact CG2-CD2 3.65Å; T133-L443 HydrophobicContact CG2-CG 4.12Å; Y160-L443 HydrophobicContact CE1-CD2 4.36Å; I439-L443 HydrophobicContact CD1-CD1 4.09Å; I439-L443 HydrophobicContact CG1-CD1 3.68Å; I439-L443 HydrophobicContact CG1-CG 3.87Å; I439-L443 VanDerWaalsContact O-CB 3.29Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.29Å; I439-L443 PolarHBondContact O-N 3.45Å; L443-V445 VanDerWaalsContact C-N 3.34Å; L443-G447 PolarHBondContact O-N 3.28Å |
| 444 | S | 95.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.2 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | V36 V440 F442 L448 | V36-S444 VanDerWaalsContact CG1-OG 3.29Å; V36-S444 WeakPolarHBondContact CG1-OG 3.4Å; V440-S444 WeakPolarHBondContact O-CB 3.41Å; V440-S444 PolarHBondContact O-N 3.23Å; V440-S444 PolarHBondContact O-OG 2.9Å; F442-S444 VanDerWaalsContact C-N 3.29Å; F442-S444 PolarHBondContact O-N 3.47Å; S444-L448 WeakPolarHBondContact O-CB 3.35Å; S444-L448 PolarHBondContact O-N 3.05Å |
| 445 | V | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -46 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 111 | L11 L59 I62 Q63 L441 F442 L443 G447 L448 K449 | L11-V445 HydrophobicContact CD1-CG2 4.39Å; L11-V445 HydrophobicContact CD2-CG2 3.83Å; L59-V445 HydrophobicContact CB-CG1 3.89Å; L59-V445 HydrophobicContact CD2-CG1 4.23Å; L59-V445 HydrophobicContact CD2-CG2 4.04Å; I62-V445 HydrophobicContact CB-CG2 4.28Å; I62-V445 HydrophobicContact CG2-CG2 3.97Å; Q63-V445 HydrophobicContact CB-CB 3.99Å; Q63-V445 HydrophobicContact CB-CG1 3.91Å; Q63-V445 HydrophobicContact CB-CG2 4.21Å; Q63-V445 HydrophobicContact CG-CB 4.39Å; Q63-V445 HydrophobicContact CG-CG1 4.32Å; L441-V445 PolarHBondContact O-N 2.95Å; F442-V445 PolarHBondContact O-N 3.17Å; L443-V445 VanDerWaalsContact C-N 3.34Å; V445-G447 PolarHBondContact O-N 3.08Å; V445-L448 PolarHBondContact O-N 2.75Å; V445-K449 HydrophobicContact CG1-CD 4.02Å; V445-K449 HydrophobicContact CG1-CG 4.38Å; V445-K449 WeakPolarHBondContact O-CG 3.5Å; V445-K449 PolarHBondContact O-N 3.1Å |
| 446 | V | 92 | Very high | 92.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 179 | 171 | 0 | 0 | 0 | 0 | 111.3 | L37 L136 F442 S450 | L37-V446 HydrophobicContact CD1-CB 4.46Å; L37-V446 HydrophobicContact CD1-CG1 3.8Å; L136-V446 HydrophobicContact CD2-CG1 3.92Å; L136-V446 HydrophobicContact CD2-CG2 4.47Å; F442-V446 HydrophobicContact CD1-CG2 4.33Å; F442-V446 HydrophobicContact CD2-CG2 4.42Å; F442-V446 HydrophobicContact CE1-CG2 3.92Å; F442-V446 HydrophobicContact CE2-CG2 4.03Å; F442-V446 HydrophobicContact CZ-CG2 3.76Å; F442-V446 WeakPolarHBondContact O-CG2 3.38Å; F442-V446 PolarHBondContact O-N 2.92Å; F442-V446 VanDerWaalsContact O-N 3.09Å; V446-S450 WeakPolarHBondContact O-CB 3.5Å; V446-S450 PolarHBondContact O-N 3.48Å; V446-S450 PolarHBondContact O-OG 3Å |
| 447 | G | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L37 G40 I41 L443 V445 K449 S450 G451 | L37-G447 WeakPolarHBondContact O-CA 3.32Å; G40-G447 CarbonylContact C-O 3.53Å; G40-G447 VanDerWaalsContact C-O 3.23Å; G40-G447 CarbonylContact O-C 3.57Å; I41-G447 WeakPolarHBondContact CA-O 3.36Å; I41-G447 PolarHBondContact N-O 2.96Å; L443-G447 PolarHBondContact O-N 3.28Å; V445-G447 PolarHBondContact O-N 3.08Å; G447-K449 PolarHBondContact O-N 3.25Å; G447-S450 PolarHBondContact O-N 2.89Å; G447-G451 PolarHBondContact O-N 3.08Å |
| 448 | L | 94.5 | Very high | 92 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 178.3 | -172.3 | 76 | 0 | 0 | 0 | 111.9 | I10 L11 V14 G40 V43 V47 L54 L59 S444 V445 S450 G451 | I10-L448 HydrophobicContact CG2-CD1 3.71Å; I10-L448 HydrophobicContact CG2-CD2 4.19Å; L11-L448 HydrophobicContact CD2-CD2 4.23Å; V14-L448 HydrophobicContact CG2-CD1 3.9Å; G40-L448 WeakPolarHBondContact O-CA 3.45Å; G40-L448 PolarHBondContact O-N 2.93Å; V43-L448 HydrophobicContact CG1-CD1 4.17Å; V47-L448 HydrophobicContact CG2-CD1 4.37Å; L54-L448 HydrophobicContact CD1-CD2 3.56Å; L54-L448 HydrophobicContact CD1-CG 4.46Å; L59-L448 HydrophobicContact CD1-CD2 4.42Å; L59-L448 HydrophobicContact CD2-CD2 3.88Å; S444-L448 WeakPolarHBondContact O-CB 3.35Å; S444-L448 PolarHBondContact O-N 3.05Å; V445-L448 PolarHBondContact O-N 2.75Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 2.94Å; L448-G451 PolarHBondContact O-N 2.8Å |
| 449 | K | 91.2 | Very high | 91.9 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 18% | 0.183 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -35.5 | 177 | -71.6 | 178.3 | 170.5 | -175.7 | 0 | 112.7 | Q63 D154 V445 G447 G451 | Q63-K449 VanDerWaalsContact OE1-NZ 3.1Å; D154-K449 WeakPolarHBondContact OD1-CD 3.22Å; D154-K449 IonicContact OD1-NZ 2.67Å; V445-K449 HydrophobicContact CG1-CD 4.02Å; V445-K449 HydrophobicContact CG1-CG 4.38Å; V445-K449 WeakPolarHBondContact O-CG 3.5Å; V445-K449 PolarHBondContact O-N 3.1Å; G447-K449 PolarHBondContact O-N 3.25Å; K449-G451 VanDerWaalsContact C-N 3.32Å |
| 450 | S | 90.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.3 | -23.4 | 178.8 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | G157 M158 V446 G447 L448 G452 F454 | G157-S450 VanDerWaalsContact C-OG 3.26Å; M158-S450 PolarHBondContact N-OG 3.12Å; V446-S450 WeakPolarHBondContact O-CB 3.5Å; V446-S450 PolarHBondContact O-N 3.48Å; V446-S450 PolarHBondContact O-OG 3Å; G447-S450 PolarHBondContact O-N 2.89Å; L448-S450 VanDerWaalsContact C-N 3.32Å; L448-S450 PolarHBondContact O-N 2.94Å; S450-G452 PolarHBondContact O-N 2.75Å; S450-F454 WeakPolarHBondContact O-CB 3.11Å; S450-F454 PolarHBondContact O-N 2.8Å; S450-F454 VanDerWaalsContact O-N 3.15Å |
| 451 | G | 89.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -31.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I41 H45 G447 L448 K449 | I41-G451 VanDerWaalsContact O-CA 3.25Å; I41-G451 WeakPolarHBondContact O-CA 3.3Å; H45-G451 WeakPolarHBondContact CA-O 3.3Å; H45-G451 WeakPolarHBondContact CB-O 3.22Å; G447-G451 PolarHBondContact O-N 3.08Å; L448-G451 PolarHBondContact O-N 2.8Å; K449-G451 VanDerWaalsContact C-N 3.32Å |
| 452 | G | 86.7 | Confident | 91.4 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S450 | S450-G452 PolarHBondContact O-N 2.75Å |
| 453 | D | 87.9 | Confident | 91.3 | Very high | 97 Ų | 97 | 38.6 Ų | 38.6 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -97.8 | -11.5 | -174.1 | -65.8 | -44.5 | 0 | 0 | 0 | 114.1 | M158 V455 N456 T457 | M158-D453 HydrophobicContact CE-CB 3.66Å; M158-D453 HydrophobicContact SD-CB 4.25Å; D453-V455 PolarHBondContact O-N 3.29Å; D453-N456 PolarHBondContact O-N 3.17Å; D453-N456 VanDerWaalsContact O-N 3.09Å; D453-T457 PolarHBondContact O-N 3.34Å; D453-T457 PolarHBondContact O-OG1 3.48Å; D453-T457 VanDerWaalsContact O-OG1 3.11Å |
| 454 | F | 90.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.4 | -49.5 | -171.8 | -175 | -91.1 | 0 | 0 | 0 | 113.5 | I41 M158 A161 M162 S450 T457 L458 | I41-F454 HydrophobicContact CD1-CD2 3.78Å; I41-F454 HydrophobicContact CD1-CE2 3.83Å; I41-F454 HydrophobicContact CD1-CG 4.26Å; I41-F454 HydrophobicContact CD1-CZ 4.36Å; I41-F454 HydrophobicContact CG1-CD2 4.34Å; I41-F454 HydrophobicContact CG1-CG 4.49Å; I41-F454 HydrophobicContact CG2-CB 3.76Å; I41-F454 HydrophobicContact CG2-CD1 3.68Å; I41-F454 HydrophobicContact CG2-CD2 4.25Å; I41-F454 HydrophobicContact CG2-CE1 4.35Å; I41-F454 HydrophobicContact CG2-CG 3.62Å; M158-F454 HydrophobicContact CG-CB 4.5Å; M158-F454 HydrophobicContact CG-CD2 3.94Å; A161-F454 HydrophobicContact CB-CD2 4.41Å; A161-F454 HydrophobicContact CB-CE2 3.83Å; M162-F454 HydrophobicContact CE-CD2 3.94Å; M162-F454 HydrophobicContact CE-CE2 3.98Å; M162-F454 HydrophobicContact CE-CG 4.42Å; M162-F454 HydrophobicContact CE-CZ 4.5Å; M162-F454 HydrophobicContact CG-CD2 4.29Å; M162-F454 HydrophobicContact CG-CE2 3.5Å; M162-F454 VanDerWaalsContact CG-CE2 3.5Å; M162-F454 HydrophobicContact CG-CZ 3.97Å; S450-F454 WeakPolarHBondContact O-CB 3.11Å; S450-F454 PolarHBondContact O-N 2.8Å; S450-F454 VanDerWaalsContact O-N 3.15Å; F454-T457 PolarHBondContact O-N 3.08Å; F454-L458 HydrophobicContact CE1-CD2 4.08Å; F454-L458 VanDerWaalsContact O-CB 3.3Å; F454-L458 WeakPolarHBondContact O-CB 3.31Å; F454-L458 PolarHBondContact O-N 2.98Å |
| 455 | V | 90.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 47 Ų | 47 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | -178 | 179 | 0 | 0 | 0 | 0 | 110.7 | D453 L458 V459 | D453-V455 PolarHBondContact O-N 3.29Å; V455-L458 PolarHBondContact O-N 3.1Å; V455-V459 HydrophobicContact CG1-CG2 4.36Å; V455-V459 WeakPolarHBondContact O-CB 3.4Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.39Å |
| 456 | N | 91 | Very high | 91.3 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 179.1 | -173.2 | 44.5 | 0 | 0 | 0 | 111 | D453 L458 V459 N460 G461 | D453-N456 PolarHBondContact O-N 3.17Å; D453-N456 VanDerWaalsContact O-N 3.09Å; N456-L458 VanDerWaalsContact C-N 3.29Å; N456-L458 PolarHBondContact O-N 3.33Å; N456-V459 PolarHBondContact O-N 3.03Å; N456-N460 WeakPolarHBondContact O-CA 3.28Å; N456-N460 WeakPolarHBondContact O-CB 3.21Å; N456-N460 PolarHBondContact O-N 3.1Å; N456-N460 PolarHBondContact OD1-ND2 3.41Å; N456-G461 PolarHBondContact O-N 3.16Å; N456-G461 VanDerWaalsContact O-N 3.1Å |
| 457 | T | 91.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | M158 M162 D453 F454 G461 G463 W466 | M158-T457 HydrophobicContact SD-CG2 3.93Å; M158-T457 PolarHBondContact SD-OG1 2.83Å; M162-T457 HydrophobicContact CE-CG2 3.57Å; M162-T457 HydrophobicContact SD-CG2 4.3Å; D453-T457 PolarHBondContact O-N 3.34Å; D453-T457 PolarHBondContact O-OG1 3.48Å; D453-T457 VanDerWaalsContact O-OG1 3.11Å; F454-T457 PolarHBondContact O-N 3.08Å; T457-G461 CarbonylContact O-C 3.15Å; T457-G461 WeakPolarHBondContact O-CA 3.12Å; T457-G461 PolarHBondContact O-N 2.89Å; T457-G463 WeakPolarHBondContact O-CA 3.14Å; T457-G463 PolarHBondContact O-N 2.96Å; T457-W466 HydrophobicContact CG2-CE3 4.21Å; T457-W466 HydrophobicContact CG2-CH2 3.62Å; T457-W466 HydrophobicContact CG2-CZ2 4.21Å; T457-W466 HydrophobicContact CG2-CZ3 3.61Å |
| 458 | L | 91.4 | Very high | 91.5 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.7 | -43.3 | 178.9 | -178.3 | 63 | 0 | 0 | 0 | 113 | M162 F454 V455 N456 I467 | M162-L458 HydrophobicContact CE-CB 4.13Å; F454-L458 HydrophobicContact CE1-CD2 4.08Å; F454-L458 VanDerWaalsContact O-CB 3.3Å; F454-L458 WeakPolarHBondContact O-CB 3.31Å; F454-L458 PolarHBondContact O-N 2.98Å; V455-L458 PolarHBondContact O-N 3.1Å; N456-L458 VanDerWaalsContact C-N 3.29Å; N456-L458 PolarHBondContact O-N 3.33Å; L458-I467 HydrophobicContact CD1-CD1 3.66Å |
| 459 | V | 91.6 | Very high | 91.6 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 61% | 0.606 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -91.4 | -42.5 | -172 | 179 | 0 | 0 | 0 | 0 | 112.1 | V455 N456 | V455-V459 HydrophobicContact CG1-CG2 4.36Å; V455-V459 WeakPolarHBondContact O-CB 3.4Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.39Å; N456-V459 PolarHBondContact O-N 3.03Å |
| 460 | N | 89.2 | Confident | 91.8 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 67% | 0.668 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -16.1 | -172.9 | -56.4 | -43.2 | 0 | 0 | 0 | 113.1 | N456 | N456-N460 WeakPolarHBondContact O-CA 3.28Å; N456-N460 WeakPolarHBondContact O-CB 3.21Å; N456-N460 PolarHBondContact O-N 3.1Å; N456-N460 PolarHBondContact OD1-ND2 3.41Å |
| 461 | G | 89.6 | Confident | 92.1 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -104.1 | -157.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N456 T457 G463 | N456-G461 PolarHBondContact O-N 3.16Å; N456-G461 VanDerWaalsContact O-N 3.1Å; T457-G461 CarbonylContact O-C 3.15Å; T457-G461 WeakPolarHBondContact O-CA 3.12Å; T457-G461 PolarHBondContact O-N 2.89Å; G461-G463 PolarHBondContact O-N 3.1Å |
| 462 | E | 90.7 | Very high | 92.4 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 7.6 | -177.7 | -62.3 | -171.2 | 168 | 0 | 0 | 114.4 | L464 S465 W466 | E462-L464 PolarHBondContact O-N 2.85Å; E462-L464 VanDerWaalsContact O-N 3.14Å; E462-S465 WeakPolarHBondContact O-CA 3.43Å; E462-S465 VanDerWaalsContact O-CB 3.31Å; E462-S465 WeakPolarHBondContact O-CB 3.33Å; E462-S465 PolarHBondContact O-N 2.86Å; E462-W466 HydrophobicContact CB-CZ2 4.42Å; E462-W466 VanDerWaalsContact CB-NE1 3.32Å; E462-W466 VanDerWaalsContact O-CD1 3.24Å; E462-W466 PolarHBondContact O-N 2.97Å; E462-W466 PolarHBondContact OE2-NE1 2.8Å; E462-W466 VanDerWaalsContact OE2-NE1 3.12Å |
| 463 | G | 91.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -33 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | M162 T457 G461 W466 I467 | M162-G463 WeakPolarHBondContact SD-CA 3.4Å; T457-G463 WeakPolarHBondContact O-CA 3.14Å; T457-G463 PolarHBondContact O-N 2.96Å; G461-G463 PolarHBondContact O-N 3.1Å; G463-W466 PolarHBondContact O-N 2.91Å; G463-I467 WeakPolarHBondContact O-CG1 3.26Å; G463-I467 PolarHBondContact O-N 3.28Å |
| 464 | L | 93.2 | Very high | 93.3 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 172.4 | -104.4 | 139.1 | 0 | 0 | 0 | 112.6 | E462 I467 G468 | E462-L464 PolarHBondContact O-N 2.85Å; E462-L464 VanDerWaalsContact O-N 3.14Å; L464-I467 WeakPolarHBondContact O-CB 3.4Å; L464-I467 PolarHBondContact O-N 3.3Å; L464-G468 PolarHBondContact O-N 3.23Å; L464-G468 VanDerWaalsContact O-N 3.07Å |
| 465 | S | 94.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | E462 I467 G468 Y469 | E462-S465 WeakPolarHBondContact O-CA 3.43Å; E462-S465 VanDerWaalsContact O-CB 3.31Å; E462-S465 WeakPolarHBondContact O-CB 3.33Å; E462-S465 PolarHBondContact O-N 2.86Å; S465-I467 VanDerWaalsContact C-N 3.32Å; S465-I467 PolarHBondContact O-N 3.36Å; S465-G468 WeakPolarHBondContact O-CA 3.45Å; S465-G468 PolarHBondContact O-N 3.02Å; S465-Y469 WeakPolarHBondContact O-CD2 3.06Å; S465-Y469 PolarHBondContact O-N 2.95Å |
| 466 | W | 95.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.9 | -61.1 | 0.4 | 0 | 0 | 0 | 112.3 | V121 I125 M158 M162 T457 E462 G463 Y469 G470 | V121-W466 HydrophobicContact CB-CZ2 4.34Å; V121-W466 HydrophobicContact CG1-CD2 3.69Å; V121-W466 HydrophobicContact CG1-CE3 4.21Å; V121-W466 HydrophobicContact CG1-CG 4.14Å; V121-W466 HydrophobicContact CG1-CH2 4.1Å; V121-W466 HydrophobicContact CG1-CZ2 3.57Å; V121-W466 HydrophobicContact CG1-CZ3 4.4Å; V121-W466 HydrophobicContact CG2-CH2 3.96Å; V121-W466 HydrophobicContact CG2-CZ2 3.76Å; I125-W466 HydrophobicContact CD1-CB 3.74Å; I125-W466 HydrophobicContact CD1-CG 3.86Å; I125-W466 HydrophobicContact CG1-CB 4.09Å; I125-W466 HydrophobicContact CG1-CG 4.43Å; M158-W466 HydrophobicContact SD-CZ3 4.31Å; M162-W466 HydrophobicContact CE-CE3 4.4Å; M162-W466 HydrophobicContact CE-CZ3 4.39Å; M162-W466 HydrophobicContact SD-CD2 4.32Å; M162-W466 HydrophobicContact SD-CE3 3.45Å; M162-W466 HydrophobicContact SD-CZ3 4Å; T457-W466 HydrophobicContact CG2-CE3 4.21Å; T457-W466 HydrophobicContact CG2-CH2 3.62Å; T457-W466 HydrophobicContact CG2-CZ2 4.21Å; T457-W466 HydrophobicContact CG2-CZ3 3.61Å; E462-W466 HydrophobicContact CB-CZ2 4.42Å; E462-W466 VanDerWaalsContact CB-NE1 3.32Å; E462-W466 VanDerWaalsContact O-CD1 3.24Å; E462-W466 PolarHBondContact O-N 2.97Å; E462-W466 PolarHBondContact OE2-NE1 2.8Å; E462-W466 VanDerWaalsContact OE2-NE1 3.12Å; G463-W466 PolarHBondContact O-N 2.91Å; W466-Y469 PolarHBondContact O-N 3.31Å; W466-G470 PolarHBondContact O-N 3.42Å |
| 467 | I | 95.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 171 | -76.8 | 166.6 | 0 | 0 | 0 | 110.9 | M162 F166 L458 G463 L464 S465 Y469 G470 A471 | M162-I467 HydrophobicContact CB-CG1 4.19Å; F166-I467 HydrophobicContact CD1-CG2 4.25Å; F166-I467 HydrophobicContact CD2-CB 4.42Å; F166-I467 HydrophobicContact CD2-CG1 4.3Å; F166-I467 HydrophobicContact CD2-CG2 3.55Å; F166-I467 HydrophobicContact CE1-CG2 3.94Å; F166-I467 HydrophobicContact CE2-CB 4.23Å; F166-I467 HydrophobicContact CE2-CD1 4.22Å; F166-I467 HydrophobicContact CE2-CG1 4.08Å; F166-I467 HydrophobicContact CE2-CG2 3.19Å; F166-I467 HydrophobicContact CG-CG2 4.07Å; F166-I467 HydrophobicContact CZ-CG2 3.4Å; L458-I467 HydrophobicContact CD1-CD1 3.66Å; G463-I467 WeakPolarHBondContact O-CG1 3.26Å; G463-I467 PolarHBondContact O-N 3.28Å; L464-I467 WeakPolarHBondContact O-CB 3.4Å; L464-I467 PolarHBondContact O-N 3.3Å; S465-I467 VanDerWaalsContact C-N 3.32Å; S465-I467 PolarHBondContact O-N 3.36Å; I467-Y469 PolarHBondContact O-N 2.91Å; I467-G470 PolarHBondContact O-N 2.92Å; I467-A471 PolarHBondContact O-N 3.44Å |
| 468 | G | 95.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 44 Ų | 44 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L464 S465 G470 A471 L472 | L464-G468 PolarHBondContact O-N 3.23Å; L464-G468 VanDerWaalsContact O-N 3.07Å; S465-G468 WeakPolarHBondContact O-CA 3.45Å; S465-G468 PolarHBondContact O-N 3.02Å; G468-G470 VanDerWaalsContact C-N 3.35Å; G468-G470 PolarHBondContact O-N 3.09Å; G468-A471 WeakPolarHBondContact O-CB 3.4Å; G468-A471 PolarHBondContact O-N 2.81Å; G468-L472 WeakPolarHBondContact O-CG 3.47Å; G468-L472 PolarHBondContact O-N 3.14Å |
| 469 | Y | 96.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 14% | 0.137 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.9 | -58.7 | -33.3 | 0 | 0 | 0 | 112 | L111 F115 I117 I125 S465 W466 I467 A471 L472 I473 | L111-Y469 HydrophobicContact CD1-CD1 4.45Å; L111-Y469 HydrophobicContact CD2-CD1 4Å; L111-Y469 HydrophobicContact CD2-CE1 4.48Å; F115-Y469 HydrophobicContact CD1-CE1 4.36Å; F115-Y469 WeakPolarHBondContact CD1-OH 3.32Å; F115-Y469 HydrophobicContact CD2-CD1 4.41Å; F115-Y469 AromaticContact CD2-CE1 3.64Å; F115-Y469 HydrophobicContact CD2-CE1 3.64Å; F115-Y469 AromaticContact CD2-CZ 4Å; F115-Y469 HydrophobicContact CE1-CE1 4.49Å; F115-Y469 AromaticContact CE2-CE1 3.8Å; F115-Y469 HydrophobicContact CE2-CE1 3.8Å; F115-Y469 AromaticContact CG-CE1 3.94Å; F115-Y469 HydrophobicContact CG-CE1 3.94Å; F115-Y469 AromaticContact CG-CZ 3.84Å; F115-Y469 WeakPolarHBondContact CG-OH 3.31Å; F115-Y469 HydrophobicContact CZ-CE1 4.23Å; I117-Y469 HydrophobicContact CD1-CD2 3.39Å; I117-Y469 HydrophobicContact CD1-CE2 3.45Å; I117-Y469 VanDerWaalsContact CD1-CE2 3.45Å; I117-Y469 HydrophobicContact CD1-CG 3.97Å; I117-Y469 HydrophobicContact CG1-CD2 4.27Å; I117-Y469 HydrophobicContact CG1-CE2 3.9Å; I125-Y469 HydrophobicContact CD1-CD2 4.04Å; S465-Y469 WeakPolarHBondContact O-CD2 3.06Å; S465-Y469 PolarHBondContact O-N 2.95Å; W466-Y469 PolarHBondContact O-N 3.31Å; I467-Y469 PolarHBondContact O-N 2.91Å; Y469-A471 VanDerWaalsContact C-N 3.34Å; Y469-A471 PolarHBondContact O-N 2.68Å; Y469-L472 PolarHBondContact O-N 3.35Å; Y469-I473 WeakPolarHBondContact O-CG1 3.16Å; Y469-I473 PolarHBondContact O-N 3.13Å |
| 470 | G | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A129 W466 I467 G468 L472 I473 T474 | A129-G470 WeakPolarHBondContact CB-O 3.31Å; W466-G470 PolarHBondContact O-N 3.42Å; I467-G470 PolarHBondContact O-N 2.92Å; G468-G470 VanDerWaalsContact C-N 3.35Å; G468-G470 PolarHBondContact O-N 3.09Å; G470-L472 VanDerWaalsContact C-N 3.3Å; G470-L472 PolarHBondContact O-N 2.89Å; G470-I473 PolarHBondContact O-N 2.8Å; G470-T474 PolarHBondContact O-N 3.24Å; G470-T474 PolarHBondContact O-OG1 2.88Å; G470-T474 VanDerWaalsContact O-OG1 3.05Å |
| 471 | A | 95.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F166 I467 G468 Y469 T474 A475 | F166-A471 HydrophobicContact CD1-CB 4.41Å; I467-A471 PolarHBondContact O-N 3.44Å; G468-A471 WeakPolarHBondContact O-CB 3.4Å; G468-A471 PolarHBondContact O-N 2.81Å; Y469-A471 VanDerWaalsContact C-N 3.34Å; Y469-A471 PolarHBondContact O-N 2.68Å; A471-T474 PolarHBondContact O-N 2.87Å; A471-A475 WeakPolarHBondContact O-CB 3.48Å; A471-A475 PolarHBondContact O-N 2.96Å |
| 472 | L | 96.2 | Very high | 95.6 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.4 | -69.5 | 174.2 | 0 | 0 | 0 | 112.2 | L111 G468 Y469 G470 T474 A475 V476 | L111-L472 HydrophobicContact CD1-CB 4.32Å; L111-L472 HydrophobicContact CD2-CD1 4.08Å; G468-L472 WeakPolarHBondContact O-CG 3.47Å; G468-L472 PolarHBondContact O-N 3.14Å; Y469-L472 PolarHBondContact O-N 3.35Å; G470-L472 VanDerWaalsContact C-N 3.3Å; G470-L472 PolarHBondContact O-N 2.89Å; L472-T474 PolarHBondContact O-N 3.36Å; L472-A475 PolarHBondContact O-N 3.14Å; L472-V476 HydrophobicContact CD2-CG2 4.43Å; L472-V476 WeakPolarHBondContact O-CB 3.17Å; L472-V476 WeakPolarHBondContact O-CG2 3.42Å; L472-V476 PolarHBondContact O-N 3.28Å |
| 473 | I | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 177.9 | -68.1 | 165.9 | 0 | 0 | 0 | 111.1 | V107 T108 L111 I125 F126 A129 V130 Y469 G470 P477 | V107-I473 HydrophobicContact CG1-CG1 3.95Å; T108-I473 HydrophobicContact CG2-CD1 4.33Å; L111-I473 HydrophobicContact CD1-CD1 3.99Å; L111-I473 HydrophobicContact CD1-CG1 3.73Å; I125-I473 HydrophobicContact CG2-CD1 3.85Å; F126-I473 HydrophobicContact CD2-CG2 4.04Å; A129-I473 HydrophobicContact CB-CB 3.86Å; A129-I473 HydrophobicContact CB-CG2 3.74Å; V130-I473 HydrophobicContact CG1-CG2 4.03Å; Y469-I473 WeakPolarHBondContact O-CG1 3.16Å; Y469-I473 PolarHBondContact O-N 3.13Å; G470-I473 PolarHBondContact O-N 2.8Å; I473-P477 WeakPolarHBondContact O-CD 3.23Å; I473-P477 WeakPolarHBondContact O-CG 3.21Å |
| 474 | T | 96.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.3 | -53.5 | 173.9 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | A129 G470 A471 L472 L478 | A129-T474 PolarHBondContact O-OG1 2.84Å; G470-T474 PolarHBondContact O-N 3.24Å; G470-T474 PolarHBondContact O-OG1 2.88Å; G470-T474 VanDerWaalsContact O-OG1 3.05Å; A471-T474 PolarHBondContact O-N 2.87Å; L472-T474 PolarHBondContact O-N 3.36Å; T474-L478 HydrophobicContact CG2-CD1 3.82Å; T474-L478 WeakPolarHBondContact O-CD1 3.48Å; T474-L478 VanDerWaalsContact O-CG 3.22Å; T474-L478 WeakPolarHBondContact O-CG 3.4Å |
| 475 | A | 95.8 | Very high | 96.3 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 22% | 0.223 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.2 | -45.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A471 L472 L478 I479 | A471-A475 WeakPolarHBondContact O-CB 3.48Å; A471-A475 PolarHBondContact O-N 2.96Å; L472-A475 PolarHBondContact O-N 3.14Å; A475-L478 PolarHBondContact O-N 3.13Å; A475-I479 HydrophobicContact CB-CD1 4.01Å; A475-I479 VanDerWaalsContact O-CB 3.28Å; A475-I479 WeakPolarHBondContact O-CB 3.47Å; A475-I479 WeakPolarHBondContact O-CG1 3.37Å; A475-I479 PolarHBondContact O-N 2.94Å |
| 476 | V | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 27.5 Ų | 27.5 | 33% | 0.333 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.2 | -50.4 | -173.3 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | I103 V107 L472 T480 | I103-V476 HydrophobicContact CG2-CG1 4.41Å; V107-V476 HydrophobicContact CG2-CB 4.1Å; V107-V476 HydrophobicContact CG2-CG1 3.75Å; L472-V476 HydrophobicContact CD2-CG2 4.43Å; L472-V476 WeakPolarHBondContact O-CB 3.17Å; L472-V476 WeakPolarHBondContact O-CG2 3.42Å; L472-V476 PolarHBondContact O-N 3.28Å; V476-T480 WeakPolarHBondContact O-CB 2.83Å; V476-T480 PolarHBondContact O-N 3.33Å; V476-T480 VanDerWaalsContact O-N 3.12Å; V476-T480 PolarHBondContact O-OG1 2.94Å |
| 477 | P | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 178.2 | -20.3 | 33.2 | 0 | 0 | 0 | 112.8 | I100 I103 I473 V481 | I100-P477 HydrophobicContact CG2-CB 4.03Å; I103-P477 HydrophobicContact CB-CB 4.13Å; I103-P477 HydrophobicContact CB-CG 4.39Å; I103-P477 HydrophobicContact CG2-CB 4.02Å; I103-P477 HydrophobicContact CG2-CG 3.98Å; I473-P477 WeakPolarHBondContact O-CD 3.23Å; I473-P477 WeakPolarHBondContact O-CG 3.21Å; P477-V481 WeakPolarHBondContact O-CB 3.41Å; P477-V481 WeakPolarHBondContact O-CG2 3.44Å; P477-V481 PolarHBondContact O-N 3.38Å |
| 478 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | -175.8 | -68.3 | 174.9 | 0 | 0 | 0 | 112.4 | I100 I171 T174 T474 A475 G482 L500 M504 | I100-L478 HydrophobicContact CD1-CD2 4.41Å; I100-L478 HydrophobicContact CG2-CD2 4.44Å; I171-L478 HydrophobicContact CB-CD1 3.82Å; I171-L478 HydrophobicContact CD1-CD1 4.42Å; I171-L478 HydrophobicContact CG1-CD1 3.92Å; T174-L478 HydrophobicContact CG2-CB 3.63Å; T474-L478 HydrophobicContact CG2-CD1 3.82Å; T474-L478 WeakPolarHBondContact O-CD1 3.48Å; T474-L478 VanDerWaalsContact O-CG 3.22Å; T474-L478 WeakPolarHBondContact O-CG 3.4Å; A475-L478 PolarHBondContact O-N 3.13Å; L478-G482 WeakPolarHBondContact O-CA 3.11Å; L478-G482 PolarHBondContact O-N 3.02Å; L478-L500 HydrophobicContact CD2-CB 4.14Å; L478-L500 HydrophobicContact CD2-CD2 3.77Å; L478-L500 HydrophobicContact CD2-CG 4.38Å; L478-M504 HydrophobicContact CD1-CE 3.81Å; L478-M504 HydrophobicContact CD1-CG 4.16Å; L478-M504 HydrophobicContact CD2-CE 3.49Å; L478-M504 VanDerWaalsContact CD2-CE 3.49Å; L478-M504 HydrophobicContact CD2-CG 3.73Å; L478-M504 HydrophobicContact CD2-SD 4.44Å; L478-M504 HydrophobicContact CG-CE 3.35Å; L478-M504 HydrophobicContact CG-CG 4.3Å |
| 479 | I | 96.6 | Very high | 95.9 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -49.5 | -179.2 | -66.1 | 172.7 | 0 | 0 | 0 | 109.2 | T174 M177 A475 V481 G482 I483 | T174-I479 HydrophobicContact CG2-CG1 3.72Å; M177-I479 HydrophobicContact CE-CB 4.15Å; M177-I479 HydrophobicContact CE-CD1 3.69Å; M177-I479 HydrophobicContact CE-CG1 3.53Å; M177-I479 HydrophobicContact CE-CG2 3.64Å; M177-I479 HydrophobicContact SD-CD1 4.25Å; A475-I479 HydrophobicContact CB-CD1 4.01Å; A475-I479 VanDerWaalsContact O-CB 3.28Å; A475-I479 WeakPolarHBondContact O-CB 3.47Å; A475-I479 WeakPolarHBondContact O-CG1 3.37Å; A475-I479 PolarHBondContact O-N 2.94Å; I479-V481 PolarHBondContact O-N 2.92Å; I479-G482 PolarHBondContact O-N 3.22Å; I479-I483 HydrophobicContact CG2-CD1 3.7Å; I479-I483 HydrophobicContact CG2-CG1 4.49Å; I479-I483 WeakPolarHBondContact O-CB 3.39Å; I479-I483 VanDerWaalsContact O-CG1 3.23Å; I479-I483 WeakPolarHBondContact O-CG1 3.39Å; I479-I483 PolarHBondContact O-N 3Å |
| 480 | T | 96.7 | Very high | 95.6 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 37% | 0.368 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -52.1 | -178 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | I103 V476 I483 L484 | I103-T480 HydrophobicContact CD1-CG2 4.42Å; V476-T480 WeakPolarHBondContact O-CB 2.83Å; V476-T480 PolarHBondContact O-N 3.33Å; V476-T480 VanDerWaalsContact O-N 3.12Å; V476-T480 PolarHBondContact O-OG1 2.94Å; T480-I483 PolarHBondContact O-N 3Å; T480-L484 HydrophobicContact CG2-CD1 4.1Å; T480-L484 VanDerWaalsContact O-CG 3.26Å; T480-L484 WeakPolarHBondContact O-CG 3.18Å; T480-L484 PolarHBondContact O-N 2.88Å |
| 481 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.8 | -34.7 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 112 | F96 L99 I100 I103 P477 I479 I483 L484 A485 | F96-V481 HydrophobicContact CB-CG1 3.92Å; F96-V481 HydrophobicContact CD1-CG1 3.77Å; F96-V481 HydrophobicContact CG-CG1 4.28Å; L99-V481 HydrophobicContact CB-CG2 4.3Å; L99-V481 HydrophobicContact CD2-CG2 3.9Å; L99-V481 HydrophobicContact CG-CG2 3.8Å; I100-V481 HydrophobicContact CD1-CB 4.06Å; I100-V481 HydrophobicContact CD1-CG1 3.92Å; I100-V481 HydrophobicContact CG1-CB 3.5Å; I100-V481 VanDerWaalsContact CG1-CB 3.5Å; I100-V481 HydrophobicContact CG1-CG1 3.64Å; I100-V481 HydrophobicContact CG1-CG2 3.6Å; I103-V481 HydrophobicContact CD1-CG2 3.71Å; P477-V481 WeakPolarHBondContact O-CB 3.41Å; P477-V481 WeakPolarHBondContact O-CG2 3.44Å; P477-V481 PolarHBondContact O-N 3.38Å; I479-V481 PolarHBondContact O-N 2.92Å; V481-I483 VanDerWaalsContact C-N 3.34Å; V481-I483 PolarHBondContact O-N 3.34Å; V481-L484 PolarHBondContact O-N 3.36Å; V481-A485 VanDerWaalsContact O-CB 3.24Å; V481-A485 WeakPolarHBondContact O-CB 3.39Å; V481-A485 PolarHBondContact O-N 3.13Å |
| 482 | G | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L478 I479 R486 M496 | L478-G482 WeakPolarHBondContact O-CA 3.11Å; L478-G482 PolarHBondContact O-N 3.02Å; I479-G482 PolarHBondContact O-N 3.22Å; G482-R486 PolarHBondContact O-N 2.85Å; G482-R486 VanDerWaalsContact O-N 3.13Å; G482-M496 WeakPolarHBondContact O-CE 3.34Å |
| 483 | I | 96.7 | Very high | 95 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -47.9 | 175 | -69.2 | 169.7 | 0 | 0 | 0 | 110.6 | L178 F182 I479 T480 V481 A485 R486 M487 | L178-I483 HydrophobicContact CD2-CG1 3.93Å; F182-I483 HydrophobicContact CE2-CG1 4.24Å; F182-I483 HydrophobicContact CZ-CB 4.44Å; F182-I483 HydrophobicContact CZ-CG1 4.31Å; F182-I483 HydrophobicContact CZ-CG2 4.28Å; I479-I483 HydrophobicContact CG2-CD1 3.7Å; I479-I483 HydrophobicContact CG2-CG1 4.49Å; I479-I483 WeakPolarHBondContact O-CB 3.39Å; I479-I483 VanDerWaalsContact O-CG1 3.23Å; I479-I483 WeakPolarHBondContact O-CG1 3.39Å; I479-I483 PolarHBondContact O-N 3Å; T480-I483 PolarHBondContact O-N 3Å; V481-I483 VanDerWaalsContact C-N 3.34Å; V481-I483 PolarHBondContact O-N 3.34Å; I483-A485 PolarHBondContact O-N 3.35Å; I483-R486 PolarHBondContact O-N 2.93Å; I483-M487 HydrophobicContact CG2-CG 4.21Å; I483-M487 HydrophobicContact CG2-SD 3.53Å; I483-M487 VanDerWaalsContact CG2-SD 3.53Å; I483-M487 WeakPolarHBondContact O-CB 3.44Å; I483-M487 WeakPolarHBondContact O-CG 3.36Å; I483-M487 PolarHBondContact O-N 3.07Å |
| 484 | L | 96.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 179.3 | -71.1 | 171.8 | 0 | 0 | 0 | 112.5 | F96 L99 T480 V481 R486 M487 L488 | F96-L484 HydrophobicContact CE1-CB 4.42Å; L99-L484 HydrophobicContact CD2-CD1 4.3Å; T480-L484 HydrophobicContact CG2-CD1 4.1Å; T480-L484 VanDerWaalsContact O-CG 3.26Å; T480-L484 WeakPolarHBondContact O-CG 3.18Å; T480-L484 PolarHBondContact O-N 2.88Å; V481-L484 PolarHBondContact O-N 3.36Å; L484-R486 VanDerWaalsContact C-N 3.28Å; L484-R486 PolarHBondContact O-N 2.7Å; L484-M487 PolarHBondContact O-N 3.05Å; L484-L488 HydrophobicContact CB-CD1 4.44Å; L484-L488 HydrophobicContact CD2-CD1 3.88Å; L484-L488 HydrophobicContact CD2-CG 4.39Å; L484-L488 VanDerWaalsContact O-CB 3.3Å; L484-L488 WeakPolarHBondContact O-CB 3.47Å; L484-L488 PolarHBondContact O-N 3.21Å |
| 485 | A | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F96 V481 I483 A489 K490 M491 M496 M499 | F96-A485 HydrophobicContact CD1-CB 4.08Å; F96-A485 HydrophobicContact CD2-CB 4.29Å; F96-A485 HydrophobicContact CE1-CB 4.07Å; F96-A485 HydrophobicContact CE2-CB 4.29Å; F96-A485 HydrophobicContact CG-CB 4.19Å; F96-A485 HydrophobicContact CZ-CB 4.18Å; V481-A485 VanDerWaalsContact O-CB 3.24Å; V481-A485 WeakPolarHBondContact O-CB 3.39Å; V481-A485 PolarHBondContact O-N 3.13Å; I483-A485 PolarHBondContact O-N 3.35Å; A485-A489 CarbonylContact O-C 3.59Å; A485-A489 WeakPolarHBondContact O-CA 3.3Å; A485-A489 VanDerWaalsContact O-CB 3.25Å; A485-A489 WeakPolarHBondContact O-CB 3.36Å; A485-A489 PolarHBondContact O-N 2.87Å; A485-K490 PolarHBondContact O-N 2.88Å; A485-M491 HydrophobicContact CB-CB 4.47Å; A485-M491 HydrophobicContact CB-SD 4.42Å; A485-M491 WeakPolarHBondContact O-CB 3.47Å; A485-M491 PolarHBondContact O-N 3.04Å; A485-M496 HydrophobicContact CB-CG 4.38Å; A485-M496 HydrophobicContact CB-SD 4.42Å; A485-M499 HydrophobicContact CB-CE 4.19Å |
| 486 | R | 94.7 | Very high | 94.3 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.9 | -44.7 | 176.3 | -170.3 | 58.8 | 173.9 | -165.5 | -3.1 | 112.4 | F182 E189 G482 I483 L484 K490 M491 M496 | F182-R486 HydrophobicContact CB-CG 4.47Å; F182-R486 HydrophobicContact CD1-CB 4.49Å; F182-R486 HydrophobicContact CD1-CG 3.63Å; F182-R486 HydrophobicContact CD2-CB 4.17Å; F182-R486 HydrophobicContact CD2-CG 3.79Å; F182-R486 HydrophobicContact CE1-CB 4.08Å; F182-R486 HydrophobicContact CE1-CG 3.66Å; F182-R486 HydrophobicContact CE2-CB 3.74Å; F182-R486 HydrophobicContact CE2-CG 3.82Å; F182-R486 HydrophobicContact CG-CG 3.7Å; F182-R486 HydrophobicContact CZ-CB 3.69Å; F182-R486 HydrophobicContact CZ-CG 3.75Å; E189-R486 IonicContact OE1-CZ 3.52Å; E189-R486 IonicContact OE1-NH1 3.6Å; E189-R486 PolarHBondContact OE1-NH1 3.23Å; E189-R486 IonicContact OE1-NH2 2.68Å; E189-R486 PolarHBondContact OE1-NH2 3.48Å; E189-R486 IonicContact OE2-NH1 3.19Å; E189-R486 PolarHBondContact OE2-NH1 2.91Å; G482-R486 PolarHBondContact O-N 2.85Å; G482-R486 VanDerWaalsContact O-N 3.13Å; I483-R486 PolarHBondContact O-N 2.93Å; L484-R486 VanDerWaalsContact C-N 3.28Å; L484-R486 PolarHBondContact O-N 2.7Å; R486-K490 WeakPolarHBondContact O-CA 3.28Å; R486-K490 PolarHBondContact O-N 3.29Å; R486-K490 VanDerWaalsContact O-N 3.13Å; R486-M491 WeakPolarHBondContact CD-O 3.42Å; R486-M491 PolarHBondContact NH1-O 3.15Å; R486-M496 HydrophobicContact CB-CE 4.09Å; R486-M496 HydrophobicContact CB-SD 3.81Å; R486-M496 HydrophobicContact CG-SD 4.43Å |
| 487 | M | 94.4 | Very high | 94.2 | Very high | 124 Ų | 124 | 36.3 Ų | 36.3 | 61% | 0.611 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -76.1 | -50.7 | -174.5 | -69.9 | -177.9 | 68 | 0 | 0 | 112.9 | F182 I483 L484 | F182-M487 HydrophobicContact CE1-CG 4.12Å; F182-M487 HydrophobicContact CZ-CG 4.19Å; I483-M487 HydrophobicContact CG2-CG 4.21Å; I483-M487 HydrophobicContact CG2-SD 3.53Å; I483-M487 VanDerWaalsContact CG2-SD 3.53Å; I483-M487 WeakPolarHBondContact O-CB 3.44Å; I483-M487 WeakPolarHBondContact O-CG 3.36Å; I483-M487 PolarHBondContact O-N 3.07Å; L484-M487 PolarHBondContact O-N 3.05Å |
| 488 | L | 93.2 | Very high | 93.8 | Very high | 129 Ų | 129 | 36.3 Ų | 36.3 | 68% | 0.675 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -40.7 | -175.6 | -60.2 | 179.1 | 0 | 0 | 0 | 111.5 | L484 | L484-L488 HydrophobicContact CB-CD1 4.44Å; L484-L488 HydrophobicContact CD2-CD1 3.88Å; L484-L488 HydrophobicContact CD2-CG 4.39Å; L484-L488 VanDerWaalsContact O-CB 3.3Å; L484-L488 WeakPolarHBondContact O-CB 3.47Å; L484-L488 PolarHBondContact O-N 3.21Å |
| 489 | A | 89.6 | Confident | 93.6 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -8.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R92 F96 A485 M491 | R92-A489 PolarHBondContact NH1-O 2.82Å; R92-A489 PolarHBondContact NH2-O 2.92Å; F96-A489 HydrophobicContact CE2-CB 3.57Å; F96-A489 HydrophobicContact CZ-CB 3.66Å; A485-A489 CarbonylContact O-C 3.59Å; A485-A489 WeakPolarHBondContact O-CA 3.3Å; A485-A489 VanDerWaalsContact O-CB 3.25Å; A485-A489 WeakPolarHBondContact O-CB 3.36Å; A485-A489 PolarHBondContact O-N 2.87Å; A489-M491 PolarHBondContact O-N 3.16Å; A489-M491 VanDerWaalsContact O-N 3.16Å |
| 490 | K | 90.1 | Very high | 93.6 | Very high | 177 Ų | 177 | 34.2 Ų | 34.2 | 77% | 0.77 | 17% | 0.17 | S | C | * | . | trans | 48.8 | 37.1 | -173.2 | -60.4 | -176.8 | -179.9 | -179.8 | 0 | 111.2 | A485 R486 | A485-K490 PolarHBondContact O-N 2.88Å; R486-K490 WeakPolarHBondContact O-CA 3.28Å; R486-K490 PolarHBondContact O-N 3.29Å; R486-K490 VanDerWaalsContact O-N 3.13Å | ||
| 491 | M | 90.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 7% | 0.069 | 15% | 0.153 | C | C | . | . | trans | -66.9 | 138.8 | -173.9 | -167.9 | 175.3 | -70.2 | 0 | 0 | 110.1 | L93 F96 A485 R486 A489 T495 M496 M499 | L93-M491 HydrophobicContact CD2-CE 3.61Å; L93-M491 HydrophobicContact CD2-SD 3.62Å; F96-M491 HydrophobicContact CD2-CE 3.63Å; F96-M491 HydrophobicContact CE2-CE 3.85Å; A485-M491 HydrophobicContact CB-CB 4.47Å; A485-M491 HydrophobicContact CB-SD 4.42Å; A485-M491 WeakPolarHBondContact O-CB 3.47Å; A485-M491 PolarHBondContact O-N 3.04Å; R486-M491 WeakPolarHBondContact CD-O 3.42Å; R486-M491 PolarHBondContact NH1-O 3.15Å; A489-M491 PolarHBondContact O-N 3.16Å; A489-M491 VanDerWaalsContact O-N 3.16Å; M491-T495 HydrophobicContact CG-CG2 3.92Å; M491-T495 HydrophobicContact SD-CG2 3.96Å; M491-M496 HydrophobicContact CB-CG 3.76Å; M491-M496 HydrophobicContact CB-SD 4.1Å; M491-M496 HydrophobicContact CG-CG 3.68Å; M491-M496 HydrophobicContact SD-CG 3.7Å; M491-M499 HydrophobicContact SD-CE 4.48Å | ||
| 492 | N | 91.4 | Very high | 93 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | trans | -59.4 | 139.1 | 175.4 | 180 | -83.6 | 0 | 0 | 0 | 110.4 | E189 L494 T495 M496 | E189-N492 PolarHBondContact O-ND2 2.92Å; E189-N492 WeakPolarHBondContact OE2-CA 3.45Å; E189-N492 PolarHBondContact OE2-ND2 2.83Å; N492-L494 PolarHBondContact O-N 2.76Å; N492-L494 WeakPolarHBondContact OD1-CB 3.39Å; N492-L494 PolarHBondContact OD1-N 3.15Å; N492-T495 WeakPolarHBondContact O-CB 3.26Å; N492-T495 PolarHBondContact O-N 2.87Å; N492-T495 PolarHBondContact OD1-N 3.49Å; N492-M496 WeakPolarHBondContact O-CG 3.5Å; N492-M496 PolarHBondContact O-N 2.9Å | ||
| 493 | Y | 95 | Very high | 92.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | -174.6 | 171.8 | -105.8 | 0 | 0 | 0 | 112.8 | M175 L178 R179 V184 V186 E189 M496 C497 L516 | M175-Y493 PolarHBondContact O-OH 2.99Å; M175-Y493 VanDerWaalsContact O-OH 3.04Å; L178-Y493 HydrophobicContact CB-CE2 4.43Å; R179-Y493 HydrophobicContact CB-CE1 4.4Å; R179-Y493 HydrophobicContact CB-CE2 3.86Å; R179-Y493 HydrophobicContact CG-CE1 4.26Å; R179-Y493 HydrophobicContact CG-CE2 4.49Å; V184-Y493 HydrophobicContact CB-CG 4.28Å; V184-Y493 HydrophobicContact CG1-CD1 3.74Å; V184-Y493 HydrophobicContact CG1-CD2 4.43Å; V184-Y493 HydrophobicContact CG1-CG 3.69Å; V184-Y493 HydrophobicContact CG2-CD2 4.15Å; V184-Y493 HydrophobicContact CG2-CG 4.17Å; V186-Y493 HydrophobicContact CG2-CE1 4.35Å; E189-Y493 PolarHBondContact OE2-N 3.14Å; Y493-M496 WeakPolarHBondContact O-CB 3.39Å; Y493-M496 PolarHBondContact O-N 2.94Å; Y493-C497 PolarHBondContact O-N 3.22Å; Y493-C497 PolarHBondContact O-SG 2.82Å; Y493-C497 VanDerWaalsContact O-SG 3.39Å; Y493-L516 HydrophobicContact CE1-CD1 3.81Å |
| 494 | L | 91.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 178.2 | -60 | 175.4 | 0 | 0 | 0 | 111.3 | V186 A190 N492 M496 C497 G498 L516 H517 S520 A522 A523 | V186-L494 HydrophobicContact CG1-CD2 4.11Å; A190-L494 HydrophobicContact CB-CD1 4.01Å; N492-L494 PolarHBondContact O-N 2.76Å; N492-L494 WeakPolarHBondContact OD1-CB 3.39Å; N492-L494 PolarHBondContact OD1-N 3.15Å; L494-M496 VanDerWaalsContact C-N 3.35Å; L494-C497 PolarHBondContact O-N 2.9Å; L494-G498 PolarHBondContact O-N 3.41Å; L494-G498 VanDerWaalsContact O-N 3.09Å; L494-L516 HydrophobicContact CD2-CB 4.04Å; L494-H517 HydrophobicContact CD1-CB 3.99Å; L494-H517 HydrophobicContact CD2-CB 4.32Å; L494-S520 WeakPolarHBondContact CD1-OG 3.18Å; L494-A522 HydrophobicContact CB-CB 3.68Å; L494-A523 WeakPolarHBondContact O-CA 3.29Å |
| 495 | T | 89.1 | Confident | 92.3 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 171.5 | -58.3 | 0 | 0 | 0 | 0 | 111 | L93 H193 M491 N492 G498 M499 S526 | L93-T495 HydrophobicContact CD1-CG2 4.46Å; L93-T495 HydrophobicContact CD2-CG2 3.59Å; H193-T495 PolarHBondContact CD2-OG1 2.95Å; M491-T495 HydrophobicContact CG-CG2 3.92Å; M491-T495 HydrophobicContact SD-CG2 3.96Å; N492-T495 WeakPolarHBondContact O-CB 3.26Å; N492-T495 PolarHBondContact O-N 2.87Å; N492-T495 PolarHBondContact OD1-N 3.49Å; T495-G498 PolarHBondContact O-N 3.06Å; T495-M499 WeakPolarHBondContact O-CB 3.31Å; T495-M499 PolarHBondContact O-N 3.12Å; T495-S526 WeakPolarHBondContact CA-OG 3.41Å; T495-S526 WeakPolarHBondContact CG2-OG 3.39Å; T495-S526 VanDerWaalsContact O-CB 3.25Å; T495-S526 WeakPolarHBondContact O-CB 3.49Å; T495-S526 PolarHBondContact O-OG 2.89Å |
| 496 | M | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 175.9 | -76.1 | 174.8 | 48.4 | 0 | 0 | 111.8 | L178 G482 A485 R486 M491 N492 Y493 L494 G498 M499 L500 | L178-M496 HydrophobicContact CD1-CE 4.02Å; G482-M496 WeakPolarHBondContact O-CE 3.34Å; A485-M496 HydrophobicContact CB-CG 4.38Å; A485-M496 HydrophobicContact CB-SD 4.42Å; R486-M496 HydrophobicContact CB-CE 4.09Å; R486-M496 HydrophobicContact CB-SD 3.81Å; R486-M496 HydrophobicContact CG-SD 4.43Å; M491-M496 HydrophobicContact CB-CG 3.76Å; M491-M496 HydrophobicContact CB-SD 4.1Å; M491-M496 HydrophobicContact CG-CG 3.68Å; M491-M496 HydrophobicContact SD-CG 3.7Å; N492-M496 WeakPolarHBondContact O-CG 3.5Å; N492-M496 PolarHBondContact O-N 2.9Å; Y493-M496 WeakPolarHBondContact O-CB 3.39Å; Y493-M496 PolarHBondContact O-N 2.94Å; L494-M496 VanDerWaalsContact C-N 3.35Å; M496-G498 VanDerWaalsContact C-N 3.29Å; M496-G498 PolarHBondContact O-N 3.38Å; M496-M499 PolarHBondContact O-N 3.42Å; M496-M499 VanDerWaalsContact O-N 3.11Å; M496-L500 WeakPolarHBondContact O-CG 3.49Å; M496-L500 PolarHBondContact O-N 2.81Å |
| 497 | C | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 176.9 | -71.7 | 0 | 0 | 0 | 0 | 111.7 | M175 Y493 L494 L500 A501 A513 | M175-C497 HydrophobicContact CE-CB 4.21Å; M175-C497 WeakPolarHBondContact CE-O 3.4Å; M175-C497 HydrophobicContact SD-CB 3.83Å; Y493-C497 PolarHBondContact O-N 3.22Å; Y493-C497 PolarHBondContact O-SG 2.82Å; Y493-C497 VanDerWaalsContact O-SG 3.39Å; L494-C497 PolarHBondContact O-N 2.9Å; C497-L500 PolarHBondContact O-N 3.18Å; C497-A501 WeakPolarHBondContact O-CB 3.43Å; C497-A501 PolarHBondContact O-N 3.22Å; C497-A513 HydrophobicContact CB-CB 3.68Å |
| 498 | G | 89.6 | Confident | 90 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L494 T495 M496 A501 G502 A523 Y527 | L494-G498 PolarHBondContact O-N 3.41Å; L494-G498 VanDerWaalsContact O-N 3.09Å; T495-G498 PolarHBondContact O-N 3.06Å; M496-G498 VanDerWaalsContact C-N 3.29Å; M496-G498 PolarHBondContact O-N 3.38Å; G498-A501 PolarHBondContact O-N 3.39Å; G498-G502 PolarHBondContact O-N 2.57Å; G498-A523 VanDerWaalsContact CA-O 3.29Å; G498-A523 WeakPolarHBondContact CA-O 3.37Å; G498-Y527 WeakPolarHBondContact O-CA 3.34Å |
| 499 | M | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.4 | 178.9 | -85.9 | -69.4 | 0 | 0 | 111.8 | L93 F96 A97 I100 A485 M491 T495 M496 G502 S503 V530 | L93-M499 HydrophobicContact CD2-CB 4.27Å; L93-M499 HydrophobicContact CD2-CG 4.4Å; F96-M499 HydrophobicContact CB-CE 3.99Å; F96-M499 HydrophobicContact CB-SD 4.22Å; A97-M499 HydrophobicContact CB-CG 4.47Å; I100-M499 HydrophobicContact CD1-CE 4.45Å; I100-M499 HydrophobicContact CD1-SD 3.6Å; A485-M499 HydrophobicContact CB-CE 4.19Å; M491-M499 HydrophobicContact SD-CE 4.48Å; T495-M499 WeakPolarHBondContact O-CB 3.31Å; T495-M499 PolarHBondContact O-N 3.12Å; M496-M499 PolarHBondContact O-N 3.42Å; M496-M499 VanDerWaalsContact O-N 3.11Å; M499-G502 PolarHBondContact O-N 3.15Å; M499-S503 VanDerWaalsContact O-CB 3.22Å; M499-S503 WeakPolarHBondContact O-CB 3.41Å; M499-S503 PolarHBondContact O-N 2.95Å; M499-S503 PolarHBondContact O-OG 2.9Å; M499-V530 HydrophobicContact CG-CG1 4.14Å |
| 500 | L | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.8 | -65.8 | -175.9 | 0 | 0 | 0 | 110.8 | I100 I171 M175 L178 L478 M496 C497 G502 S503 M504 | I100-L500 HydrophobicContact CD1-CD2 3.6Å; I171-L500 HydrophobicContact CD1-CB 4.32Å; I171-L500 WeakPolarHBondContact CD1-O 3.42Å; M175-L500 HydrophobicContact CE-CB 4.23Å; M175-L500 HydrophobicContact CG-CD1 4.45Å; L178-L500 HydrophobicContact CD1-CD1 3.62Å; L478-L500 HydrophobicContact CD2-CB 4.14Å; L478-L500 HydrophobicContact CD2-CD2 3.77Å; L478-L500 HydrophobicContact CD2-CG 4.38Å; M496-L500 WeakPolarHBondContact O-CG 3.49Å; M496-L500 PolarHBondContact O-N 2.81Å; C497-L500 PolarHBondContact O-N 3.18Å; L500-G502 PolarHBondContact O-N 2.96Å; L500-S503 WeakPolarHBondContact CA-OG 3.38Å; L500-S503 PolarHBondContact O-N 3.28Å; L500-S503 PolarHBondContact O-OG 2.77Å; L500-M504 PolarHBondContact O-N 3.31Å; L500-M504 VanDerWaalsContact O-N 3.07Å |
| 501 | A | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M175 C497 G498 S503 M504 T505 D506 A509 L510 Y527 | M175-A501 HydrophobicContact CE-CB 3.86Å; C497-A501 WeakPolarHBondContact O-CB 3.43Å; C497-A501 PolarHBondContact O-N 3.22Å; G498-A501 PolarHBondContact O-N 3.39Å; A501-S503 VanDerWaalsContact C-N 3.32Å; A501-S503 PolarHBondContact O-N 3.31Å; A501-M504 PolarHBondContact O-N 3.23Å; A501-T505 PolarHBondContact O-N 3.3Å; A501-T505 VanDerWaalsContact O-N 3.09Å; A501-D506 PolarHBondContact O-N 3.33Å; A501-D506 VanDerWaalsContact O-N 3.08Å; A501-A509 HydrophobicContact CB-CB 3.9Å; A501-L510 HydrophobicContact CB-CB 4.15Å; A501-Y527 HydrophobicContact CB-CD2 3.85Å; A501-Y527 HydrophobicContact CB-CE2 4.27Å |
| 502 | G | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G498 M499 L500 M504 T505 | G498-G502 PolarHBondContact O-N 2.57Å; M499-G502 PolarHBondContact O-N 3.15Å; L500-G502 PolarHBondContact O-N 2.96Å; G502-M504 VanDerWaalsContact C-N 3.28Å; G502-M504 PolarHBondContact O-N 3.19Å; G502-T505 PolarHBondContact O-N 3.13Å |
| 503 | S | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69 | -22.6 | 178.4 | 78.9 | 0 | 0 | 0 | 0 | 114.1 | I100 M499 L500 A501 V534 R538 | I100-S503 VanDerWaalsContact CD1-OG 3.24Å; I100-S503 WeakPolarHBondContact CD1-OG 3.3Å; M499-S503 VanDerWaalsContact O-CB 3.22Å; M499-S503 WeakPolarHBondContact O-CB 3.41Å; M499-S503 PolarHBondContact O-N 2.95Å; M499-S503 PolarHBondContact O-OG 2.9Å; L500-S503 WeakPolarHBondContact CA-OG 3.38Å; L500-S503 PolarHBondContact O-N 3.28Å; L500-S503 PolarHBondContact O-OG 2.77Å; A501-S503 VanDerWaalsContact C-N 3.32Å; A501-S503 PolarHBondContact O-N 3.31Å; S503-V534 WeakPolarHBondContact O-CG1 3.34Å; S503-R538 VanDerWaalsContact O-CZ 3.23Å; S503-R538 PolarHBondContact O-NE 3.37Å; S503-R538 PolarHBondContact O-NH2 3.16Å |
| 504 | M | 93.1 | Very high | 87 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 4.7 | 173.9 | -68 | -63.2 | -178.4 | 0 | 0 | 112.4 | I100 V130 T131 I171 L478 L500 A501 G502 D506 R538 | I100-M504 HydrophobicContact CG2-CE 3.84Å; V130-M504 CarbonylContact C-O 3.42Å; V130-M504 HydrophobicContact CB-SD 3.92Å; V130-M504 HydrophobicContact CG1-SD 3.96Å; T131-M504 PolarHBondContact OG1-O 3.42Å; I171-M504 HydrophobicContact CD1-CB 3.82Å; I171-M504 HydrophobicContact CD1-CG 3.88Å; L478-M504 HydrophobicContact CD1-CE 3.81Å; L478-M504 HydrophobicContact CD1-CG 4.16Å; L478-M504 HydrophobicContact CD2-CE 3.49Å; L478-M504 VanDerWaalsContact CD2-CE 3.49Å; L478-M504 HydrophobicContact CD2-CG 3.73Å; L478-M504 HydrophobicContact CD2-SD 4.44Å; L478-M504 HydrophobicContact CG-CE 3.35Å; L478-M504 HydrophobicContact CG-CG 4.3Å; L500-M504 PolarHBondContact O-N 3.31Å; L500-M504 VanDerWaalsContact O-N 3.07Å; A501-M504 PolarHBondContact O-N 3.23Å; G502-M504 VanDerWaalsContact C-N 3.28Å; G502-M504 PolarHBondContact O-N 3.19Å; M504-D506 HydrophobicContact CB-CB 4.35Å; M504-D506 PolarHBondContact O-N 3.18Å; M504-R538 PolarHBondContact SD-NH2 3.18Å |
| 505 | T | 87.7 | Confident | 86.7 | Confident | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.8 | -178.2 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | V130 N132 A501 G502 P507 Y531 V534 M535 | V130-T505 PolarHBondContact O-OG1 3.37Å; N132-T505 PolarHBondContact ND2-OG1 3.45Å; N132-T505 VanDerWaalsContact ND2-OG1 3.09Å; A501-T505 PolarHBondContact O-N 3.3Å; A501-T505 VanDerWaalsContact O-N 3.09Å; G502-T505 PolarHBondContact O-N 3.13Å; T505-P507 WeakPolarHBondContact O-CD 3.16Å; T505-Y531 HydrophobicContact CG2-CD2 4.05Å; T505-Y531 HydrophobicContact CG2-CE2 3.87Å; T505-V534 HydrophobicContact CG2-CG1 4.46Å; T505-M535 HydrophobicContact CG2-CB 4.2Å; T505-M535 HydrophobicContact CG2-CE 4.11Å |
| 506 | D | 85 | Confident | 86.6 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | trans | -112.6 | 101.2 | -171.8 | -173.9 | -24.1 | 0 | 0 | 0 | 111.9 | I171 A501 M504 P508 A509 L510 | I171-D506 WeakPolarHBondContact CG2-OD2 3.38Å; A501-D506 PolarHBondContact O-N 3.33Å; A501-D506 VanDerWaalsContact O-N 3.08Å; M504-D506 HydrophobicContact CB-CB 4.35Å; M504-D506 PolarHBondContact O-N 3.18Å; D506-P508 WeakPolarHBondContact OD1-CA 2.72Å; D506-P508 VanDerWaalsContact OD1-CB 3.32Å; D506-P508 WeakPolarHBondContact OD1-CB 3.3Å; D506-P508 WeakPolarHBondContact OD1-CD 3.49Å; D506-P508 WeakPolarHBondContact OD1-CG 3.49Å; D506-P508 VanDerWaalsContact OD1-N 3.08Å; D506-A509 HydrophobicContact CB-CB 3.78Å; D506-A509 VanDerWaalsContact CG-CB 3.45Å; D506-A509 PolarHBondContact O-N 2.87Å; D506-A509 PolarHBondContact OD1-N 3.45Å; D506-L510 PolarHBondContact O-N 3.21Å; D506-L510 VanDerWaalsContact O-N 3.13Å | ||
| 507 | P | 74.7 | Confident | 86 | Confident | 75 Ų | 75 | 23.9 Ų | 23.9 | 49% | 0.487 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.1 | -19.4 | 30.7 | 0 | 0 | 0 | 114.9 | T505 A509 L510 A511 | T505-P507 WeakPolarHBondContact O-CD 3.16Å; P507-A509 VanDerWaalsContact C-N 3.29Å; P507-A509 PolarHBondContact O-N 2.82Å; P507-L510 WeakPolarHBondContact O-CB 3.48Å; P507-L510 PolarHBondContact O-N 2.82Å; P507-L510 VanDerWaalsContact O-N 3.14Å; P507-A511 PolarHBondContact O-N 3.2Å |
| 508 | P | 76 | Confident | 84.8 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.1 | -43.9 | 168.2 | -29.3 | 31.6 | 0 | 0 | 0 | 114.2 | I168 D506 L510 A511 F512 | I168-P508 HydrophobicContact CG2-CB 4.43Å; D506-P508 WeakPolarHBondContact OD1-CA 2.72Å; D506-P508 VanDerWaalsContact OD1-CB 3.32Å; D506-P508 WeakPolarHBondContact OD1-CB 3.3Å; D506-P508 WeakPolarHBondContact OD1-CD 3.49Å; D506-P508 WeakPolarHBondContact OD1-CG 3.49Å; D506-P508 VanDerWaalsContact OD1-N 3.08Å; P508-L510 VanDerWaalsContact C-N 3.33Å; P508-L510 PolarHBondContact O-N 2.88Å; P508-A511 WeakPolarHBondContact O-CB 3.46Å; P508-A511 PolarHBondContact O-N 2.72Å; P508-F512 PolarHBondContact O-N 3.11Å |
| 509 | A | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I171 M175 A501 D506 P507 F512 A513 | I171-A509 HydrophobicContact CD1-CB 3.81Å; I171-A509 HydrophobicContact CG1-CB 4.1Å; I171-A509 HydrophobicContact CG2-CB 3.65Å; M175-A509 HydrophobicContact CE-CB 3.98Å; A501-A509 HydrophobicContact CB-CB 3.9Å; D506-A509 HydrophobicContact CB-CB 3.78Å; D506-A509 VanDerWaalsContact CG-CB 3.45Å; D506-A509 PolarHBondContact O-N 2.87Å; D506-A509 PolarHBondContact OD1-N 3.45Å; P507-A509 VanDerWaalsContact C-N 3.29Å; P507-A509 PolarHBondContact O-N 2.82Å; A509-F512 PolarHBondContact O-N 3.21Å; A509-A513 WeakPolarHBondContact O-CB 3.42Å; A509-A513 PolarHBondContact O-N 3.12Å |
| 510 | L | 82.2 | Confident | 82.7 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 171.5 | 176.4 | 61.4 | 0 | 0 | 0 | 112 | A501 D506 P507 P508 F512 A513 N514 A523 Y527 | A501-L510 HydrophobicContact CB-CB 4.15Å; D506-L510 PolarHBondContact O-N 3.21Å; D506-L510 VanDerWaalsContact O-N 3.13Å; P507-L510 WeakPolarHBondContact O-CB 3.48Å; P507-L510 PolarHBondContact O-N 2.82Å; P507-L510 VanDerWaalsContact O-N 3.14Å; P508-L510 VanDerWaalsContact C-N 3.33Å; P508-L510 PolarHBondContact O-N 2.88Å; L510-F512 VanDerWaalsContact C-N 3.33Å; L510-F512 PolarHBondContact O-N 3.1Å; L510-A513 PolarHBondContact O-N 3.29Å; L510-N514 WeakPolarHBondContact O-CB 3.49Å; L510-N514 PolarHBondContact O-N 2.99Å; L510-N514 PolarHBondContact O-ND2 2.96Å; L510-A523 HydrophobicContact CD1-CB 4.44Å; L510-Y527 HydrophobicContact CB-CD2 3.84Å; L510-Y527 HydrophobicContact CB-CE2 3.96Å; L510-Y527 HydrophobicContact CB-CG 4.48Å; L510-Y527 HydrophobicContact CD1-CD2 3.98Å; L510-Y527 HydrophobicContact CD1-CG 3.92Å; L510-Y527 HydrophobicContact CD2-CD1 3.7Å; L510-Y527 HydrophobicContact CD2-CD2 3.77Å; L510-Y527 HydrophobicContact CD2-CE1 3.95Å; L510-Y527 HydrophobicContact CD2-CE2 3.99Å; L510-Y527 HydrophobicContact CD2-CG 3.62Å; L510-Y527 HydrophobicContact CG-CD2 4.06Å; L510-Y527 HydrophobicContact CG-CE2 4.47Å; L510-Y527 HydrophobicContact CG-CG 4.2Å |
| 511 | A | 73.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 36.5 Ų | 36.5 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | P507 P508 N514 N515 | P507-A511 PolarHBondContact O-N 3.2Å; P508-A511 WeakPolarHBondContact O-CB 3.46Å; P508-A511 PolarHBondContact O-N 2.72Å; A511-N514 PolarHBondContact O-N 3.45Å; A511-N515 WeakPolarHBondContact O-CB 3.36Å; A511-N515 VanDerWaalsContact O-CG 3.25Å; A511-N515 PolarHBondContact O-N 3.36Å; A511-N515 PolarHBondContact O-ND2 3.24Å |
| 512 | F | 84.3 | Confident | 80.6 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 171.1 | 176.5 | -95.3 | 0 | 0 | 0 | 111.7 | L172 M175 P508 A509 L510 N514 N515 L516 | L172-F512 HydrophobicContact CD2-CB 3.47Å; L172-F512 VanDerWaalsContact CD2-CB 3.47Å; L172-F512 HydrophobicContact CD2-CD1 3.8Å; L172-F512 HydrophobicContact CD2-CD2 4.05Å; L172-F512 HydrophobicContact CD2-CG 3.5Å; L172-F512 VanDerWaalsContact CD2-CG 3.5Å; M175-F512 HydrophobicContact CB-CE1 4.17Å; M175-F512 HydrophobicContact SD-CD1 3.86Å; M175-F512 HydrophobicContact SD-CE1 4.24Å; P508-F512 PolarHBondContact O-N 3.11Å; A509-F512 PolarHBondContact O-N 3.21Å; L510-F512 VanDerWaalsContact C-N 3.33Å; L510-F512 PolarHBondContact O-N 3.1Å; F512-N514 VanDerWaalsContact C-N 3.34Å; F512-N514 PolarHBondContact O-N 3.35Å; F512-N515 PolarHBondContact O-N 2.99Å; F512-N515 VanDerWaalsContact O-N 3.13Å; F512-L516 HydrophobicContact CD1-CD1 4.48Å; F512-L516 HydrophobicContact CE1-CD1 4.15Å; F512-L516 HydrophobicContact CE1-CD2 4.25Å; F512-L516 HydrophobicContact CE1-CG 4.34Å; F512-L516 HydrophobicContact CZ-CD2 4.22Å; F512-L516 PolarHBondContact O-N 2.89Å |
| 513 | A | 85.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M175 C497 A509 L510 L516 A523 | M175-A513 HydrophobicContact SD-CB 4.38Å; C497-A513 HydrophobicContact CB-CB 3.68Å; A509-A513 WeakPolarHBondContact O-CB 3.42Å; A509-A513 PolarHBondContact O-N 3.12Å; L510-A513 PolarHBondContact O-N 3.29Å; A513-L516 WeakPolarHBondContact O-CB 3.49Å; A513-L516 PolarHBondContact O-N 3.21Å; A513-A523 HydrophobicContact CB-CB 3.76Å |
| 514 | N | 74.4 | Confident | 79 | Confident | 53 Ų | 53 | 38.6 Ų | 38.6 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 175.2 | -73.6 | -27.7 | 0 | 0 | 0 | 111.9 | L510 A511 F512 L516 H517 P518 A524 | L510-N514 WeakPolarHBondContact O-CB 3.49Å; L510-N514 PolarHBondContact O-N 2.99Å; L510-N514 PolarHBondContact O-ND2 2.96Å; A511-N514 PolarHBondContact O-N 3.45Å; F512-N514 VanDerWaalsContact C-N 3.34Å; F512-N514 PolarHBondContact O-N 3.35Å; N514-L516 PolarHBondContact O-N 2.91Å; N514-H517 CarbonylContact O-C 3.46Å; N514-H517 VanDerWaalsContact O-C 3.22Å; N514-H517 PolarHBondContact O-N 3.27Å; N514-P518 VanDerWaalsContact O-CA 3.29Å; N514-P518 WeakPolarHBondContact O-CA 3.39Å; N514-P518 VanDerWaalsContact O-N 3.17Å; N514-A524 PolarHBondContact OD1-N 3.17Å |
| 515 | N | 83.6 | Confident | 78 | Confident | 125 Ų | 125 | 42 Ų | 42 | 67% | 0.668 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.2 | -16.9 | 177.1 | -74.3 | -23.3 | 0 | 0 | 0 | 113.5 | A511 F512 H517 | A511-N515 WeakPolarHBondContact O-CB 3.36Å; A511-N515 VanDerWaalsContact O-CG 3.25Å; A511-N515 PolarHBondContact O-N 3.36Å; A511-N515 PolarHBondContact O-ND2 3.24Å; F512-N515 PolarHBondContact O-N 2.99Å; F512-N515 VanDerWaalsContact O-N 3.13Å; N515-H517 VanDerWaalsContact C-N 3.33Å |
| 516 | L | 86.7 | Confident | 77.8 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 172.1 | -66.9 | 167.1 | 0 | 0 | 0 | 111.4 | V186 Y493 L494 F512 A513 N514 | V186-L516 HydrophobicContact CG1-CB 4.36Å; V186-L516 WeakPolarHBondContact CG1-O 3.34Å; Y493-L516 HydrophobicContact CE1-CD1 3.81Å; L494-L516 HydrophobicContact CD2-CB 4.04Å; F512-L516 HydrophobicContact CD1-CD1 4.48Å; F512-L516 HydrophobicContact CE1-CD1 4.15Å; F512-L516 HydrophobicContact CE1-CD2 4.25Å; F512-L516 HydrophobicContact CE1-CG 4.34Å; F512-L516 HydrophobicContact CZ-CD2 4.22Å; F512-L516 PolarHBondContact O-N 2.89Å; A513-L516 WeakPolarHBondContact O-CB 3.49Å; A513-L516 PolarHBondContact O-N 3.21Å; N514-L516 PolarHBondContact O-N 2.91Å |
| 517 | H | 82.1 | Confident | 77.8 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -154.9 | 90.5 | 174.7 | -162.4 | -71.6 | 0 | 0 | 0 | 111.3 | V186 E187 A190 L494 N514 N515 T519 S520 | V186-H517 HydrophobicContact CG1-CB 3.95Å; E187-H517 IonicContact OE1-NE2 3.53Å; E187-H517 IonicContact OE2-CD2 3.36Å; E187-H517 IonicContact OE2-NE2 3.17Å; E187-H517 PolarHBondContact OE2-NE2 3.34Å; A190-H517 VanDerWaalsContact CB-CD2 3.41Å; A190-H517 WeakPolarHBondContact CB-CD2 3.31Å; A190-H517 VanDerWaalsContact CB-NE2 3.35Å; A190-H517 WeakPolarHBondContact CB-NE2 3.46Å; L494-H517 HydrophobicContact CD1-CB 3.99Å; L494-H517 HydrophobicContact CD2-CB 4.32Å; N514-H517 CarbonylContact O-C 3.46Å; N514-H517 VanDerWaalsContact O-C 3.22Å; N514-H517 PolarHBondContact O-N 3.27Å; N515-H517 VanDerWaalsContact C-N 3.33Å; H517-T519 PolarHBondContact CE1-OG1 2.8Å; H517-T519 PolarHBondContact ND1-OG1 3.42Å; H517-T519 PolarHBondContact O-N 2.86Å; H517-S520 PolarHBondContact ND1-N 2.91Å; H517-S520 PolarHBondContact O-N 3.33Å |
| 518 | P | 70.5 | Confident | 77.6 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 68% | 0.675 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.1 | -167.3 | -27.7 | 34.9 | 0 | 0 | 0 | 115.4 | N514 | N514-P518 VanDerWaalsContact O-CA 3.29Å; N514-P518 WeakPolarHBondContact O-CA 3.39Å; N514-P518 VanDerWaalsContact O-N 3.17Å |
| 519 | T | 65.9 | Low | 77.7 | Confident | 124 Ų | 124 | 41.3 Ų | 41.3 | 76% | 0.761 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.7 | -174.5 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | H517 G521 | H517-T519 PolarHBondContact CE1-OG1 2.8Å; H517-T519 PolarHBondContact ND1-OG1 3.42Å; H517-T519 PolarHBondContact O-N 2.86Å; T519-G521 PolarHBondContact O-N 3.1Å |
| 520 | S | 72.2 | Confident | 77.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.8 | -173.9 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | R197 L494 H517 A522 | R197-S520 PolarHBondContact NH1-O 3.44Å; L494-S520 WeakPolarHBondContact CD1-OG 3.18Å; H517-S520 PolarHBondContact ND1-N 2.91Å; H517-S520 PolarHBondContact O-N 3.33Å; S520-A522 PolarHBondContact O-N 2.97Å; S520-A522 WeakPolarHBondContact OG-CB 3.5Å |
| 521 | G | 69.4 | Low | 77.8 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | 67.2 | -2.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T519 A523 A524 L525 | T519-G521 PolarHBondContact O-N 3.1Å; G521-A523 PolarHBondContact O-N 3.11Å; G521-A524 PolarHBondContact O-N 3.16Å; G521-L525 WeakPolarHBondContact O-CB 3.41Å; G521-L525 PolarHBondContact O-N 3.19Å | ||
| 522 | A | 75.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H193 L494 S520 L525 S526 | H193-A522 VanDerWaalsContact CD2-CB 3.48Å; H193-A522 WeakPolarHBondContact CD2-CB 3.28Å; H193-A522 VanDerWaalsContact CE1-CB 3.48Å; H193-A522 WeakPolarHBondContact CE1-CB 3.49Å; H193-A522 WeakPolarHBondContact NE2-CB 3.22Å; L494-A522 HydrophobicContact CB-CB 3.68Å; S520-A522 PolarHBondContact O-N 2.97Å; S520-A522 WeakPolarHBondContact OG-CB 3.5Å; A522-L525 PolarHBondContact O-N 2.85Å; A522-S526 WeakPolarHBondContact O-CB 3.26Å; A522-S526 PolarHBondContact O-N 2.84Å; A522-S526 PolarHBondContact O-OG 3.28Å |
| 523 | A | 80.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -50 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L494 G498 L510 A513 G521 L525 S526 Y527 | L494-A523 WeakPolarHBondContact O-CA 3.29Å; G498-A523 VanDerWaalsContact CA-O 3.29Å; G498-A523 WeakPolarHBondContact CA-O 3.37Å; L510-A523 HydrophobicContact CD1-CB 4.44Å; A513-A523 HydrophobicContact CB-CB 3.76Å; G521-A523 PolarHBondContact O-N 3.11Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; A523-S526 PolarHBondContact O-N 2.84Å; A523-Y527 VanDerWaalsContact O-CB 3.31Å; A523-Y527 WeakPolarHBondContact O-CB 3.4Å; A523-Y527 PolarHBondContact O-N 2.91Å |
| 524 | A | 69.6 | Low | 78.5 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N514 G521 A528 | N514-A524 PolarHBondContact OD1-N 3.17Å; G521-A524 PolarHBondContact O-N 3.16Å; A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 2.87Å |
| 525 | L | 73.3 | Confident | 79.1 | Confident | 73 Ų | 73 | 35.1 Ų | 35.1 | 38% | 0.382 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64 | -45.1 | 178.2 | -179.8 | 62.4 | 0 | 0 | 0 | 111.9 | G521 A522 A523 A528 T529 | G521-L525 WeakPolarHBondContact O-CB 3.41Å; G521-L525 PolarHBondContact O-N 3.19Å; A522-L525 PolarHBondContact O-N 2.85Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; L525-A528 PolarHBondContact O-N 3.17Å; L525-T529 WeakPolarHBondContact O-CB 2.68Å; L525-T529 PolarHBondContact O-N 2.96Å; L525-T529 PolarHBondContact O-OG1 2.76Å |
| 526 | S | 82.3 | Confident | 79.1 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -41 | -178.2 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | T495 A522 A523 T529 V530 | T495-S526 WeakPolarHBondContact CA-OG 3.41Å; T495-S526 WeakPolarHBondContact CG2-OG 3.39Å; T495-S526 VanDerWaalsContact O-CB 3.25Å; T495-S526 WeakPolarHBondContact O-CB 3.49Å; T495-S526 PolarHBondContact O-OG 2.89Å; A522-S526 WeakPolarHBondContact O-CB 3.26Å; A522-S526 PolarHBondContact O-N 2.84Å; A522-S526 PolarHBondContact O-OG 3.28Å; A523-S526 PolarHBondContact O-N 2.84Å; S526-T529 WeakPolarHBondContact O-CB 3.26Å; S526-T529 PolarHBondContact O-N 3.26Å; S526-V530 PolarHBondContact O-N 3.08Å; S526-V530 VanDerWaalsContact O-N 3.14Å |
| 527 | Y | 84.2 | Confident | 79.3 | Confident | 24 Ų | 24 | 32.4 Ų | 32.4 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -53.3 | 172.2 | 180 | -81.3 | 0 | 0 | 0 | 111 | G498 A501 L510 A523 T529 V530 Y531 | G498-Y527 WeakPolarHBondContact O-CA 3.34Å; A501-Y527 HydrophobicContact CB-CD2 3.85Å; A501-Y527 HydrophobicContact CB-CE2 4.27Å; L510-Y527 HydrophobicContact CB-CD2 3.84Å; L510-Y527 HydrophobicContact CB-CE2 3.96Å; L510-Y527 HydrophobicContact CB-CG 4.48Å; L510-Y527 HydrophobicContact CD1-CD2 3.98Å; L510-Y527 HydrophobicContact CD1-CG 3.92Å; L510-Y527 HydrophobicContact CD2-CD1 3.7Å; L510-Y527 HydrophobicContact CD2-CD2 3.77Å; L510-Y527 HydrophobicContact CD2-CE1 3.95Å; L510-Y527 HydrophobicContact CD2-CE2 3.99Å; L510-Y527 HydrophobicContact CD2-CG 3.62Å; L510-Y527 HydrophobicContact CG-CD2 4.06Å; L510-Y527 HydrophobicContact CG-CE2 4.47Å; L510-Y527 HydrophobicContact CG-CG 4.2Å; A523-Y527 VanDerWaalsContact O-CB 3.31Å; A523-Y527 WeakPolarHBondContact O-CB 3.4Å; A523-Y527 PolarHBondContact O-N 2.91Å; Y527-T529 PolarHBondContact O-N 3.5Å; Y527-V530 PolarHBondContact O-N 3.23Å; Y527-Y531 HydrophobicContact CD1-CG 4.44Å; Y527-Y531 HydrophobicContact CE1-CD1 4.44Å; Y527-Y531 AromaticContact CE1-CD2 3.64Å; Y527-Y531 HydrophobicContact CE1-CD2 3.64Å; Y527-Y531 HydrophobicContact CE1-CE2 4.15Å; Y527-Y531 AromaticContact CE1-CG 3.77Å; Y527-Y531 HydrophobicContact CE1-CG 3.77Å; Y527-Y531 HydrophobicContact CE2-CD2 4.13Å; Y527-Y531 AromaticContact CZ-CD2 3.39Å; Y527-Y531 AromaticContact CZ-CE2 3.72Å; Y527-Y531 WeakPolarHBondContact O-CB 3.05Å; Y527-Y531 PolarHBondContact O-N 2.88Å; Y527-Y531 WeakPolarHBondContact OH-CD2 3.26Å; Y527-Y531 WeakPolarHBondContact OH-CE2 3.19Å |
| 528 | A | 71.3 | Confident | 79.8 | Confident | 59 Ų | 59 | 31.2 Ų | 31.2 | 49% | 0.488 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -29.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A524 L525 P532 | A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 2.87Å; L525-A528 PolarHBondContact O-N 3.17Å; A528-P532 VanDerWaalsContact O-CD 3.27Å; A528-P532 WeakPolarHBondContact O-CD 3.48Å |
| 529 | T | 77.6 | Confident | 80.6 | Confident | 23 Ų | 23 | 26.3 Ų | 26.3 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.2 | -47.1 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S85 L93 L525 S526 Y527 | S85-T529 WeakPolarHBondContact CB-O 3.34Å; L93-T529 HydrophobicContact CB-CG2 4.33Å; L93-T529 HydrophobicContact CD1-CG2 4.06Å; L525-T529 WeakPolarHBondContact O-CB 2.68Å; L525-T529 PolarHBondContact O-N 2.96Å; L525-T529 PolarHBondContact O-OG1 2.76Å; S526-T529 WeakPolarHBondContact O-CB 3.26Å; S526-T529 PolarHBondContact O-N 3.26Å; Y527-T529 PolarHBondContact O-N 3.5Å |
| 530 | V | 87.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -91.9 | -27.3 | -172.3 | -55.4 | 0 | 0 | 0 | 0 | 114.1 | L93 N94 A97 M499 S526 Y527 L533 V534 | L93-V530 HydrophobicContact CB-CG1 3.66Å; N94-V530 WeakPolarHBondContact OD1-CA 3.48Å; A97-V530 HydrophobicContact CB-CB 3.67Å; A97-V530 HydrophobicContact CB-CG1 3.82Å; A97-V530 HydrophobicContact CB-CG2 4.24Å; M499-V530 HydrophobicContact CG-CG1 4.14Å; S526-V530 PolarHBondContact O-N 3.08Å; S526-V530 VanDerWaalsContact O-N 3.14Å; Y527-V530 PolarHBondContact O-N 3.23Å; V530-L533 PolarHBondContact O-N 2.69Å; V530-V534 HydrophobicContact CB-CG2 4.3Å; V530-V534 WeakPolarHBondContact O-CB 3.42Å; V530-V534 VanDerWaalsContact O-CG2 3.28Å; V530-V534 WeakPolarHBondContact O-CG2 3.38Å; V530-V534 PolarHBondContact O-N 2.87Å |
| 531 | Y | 83.9 | Confident | 82.5 | Confident | 30 Ų | 30 | 22.7 Ų | 22.7 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.6 | -46.5 | -172.6 | 177.7 | -94.1 | 0 | 0 | 0 | 113.7 | V78 T505 Y527 L533 M535 | V78-Y531 HydrophobicContact CG1-CD1 3.73Å; V78-Y531 HydrophobicContact CG1-CE1 3.72Å; T505-Y531 HydrophobicContact CG2-CD2 4.05Å; T505-Y531 HydrophobicContact CG2-CE2 3.87Å; Y527-Y531 HydrophobicContact CD1-CG 4.44Å; Y527-Y531 HydrophobicContact CE1-CD1 4.44Å; Y527-Y531 AromaticContact CE1-CD2 3.64Å; Y527-Y531 HydrophobicContact CE1-CD2 3.64Å; Y527-Y531 HydrophobicContact CE1-CE2 4.15Å; Y527-Y531 AromaticContact CE1-CG 3.77Å; Y527-Y531 HydrophobicContact CE1-CG 3.77Å; Y527-Y531 HydrophobicContact CE2-CD2 4.13Å; Y527-Y531 AromaticContact CZ-CD2 3.39Å; Y527-Y531 AromaticContact CZ-CE2 3.72Å; Y527-Y531 WeakPolarHBondContact O-CB 3.05Å; Y527-Y531 PolarHBondContact O-N 2.88Å; Y527-Y531 WeakPolarHBondContact OH-CD2 3.26Å; Y527-Y531 WeakPolarHBondContact OH-CE2 3.19Å; Y531-L533 PolarHBondContact O-N 2.76Å; Y531-M535 HydrophobicContact CD1-SD 4.43Å; Y531-M535 HydrophobicContact CE1-CE 3.87Å; Y531-M535 HydrophobicContact CE1-SD 3.64Å; Y531-M535 HydrophobicContact CE2-CE 3.79Å; Y531-M535 WeakPolarHBondContact O-CB 3.45Å; Y531-M535 PolarHBondContact O-N 3.02Å; Y531-M535 WeakPolarHBondContact OH-CE 3.48Å |
| 532 | P | 80.7 | Confident | 83.5 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 179 | -27.3 | 37 | 0 | 0 | 0 | 114 | V78 F82 A528 F536 | V78-P532 HydrophobicContact CB-CB 4Å; V78-P532 HydrophobicContact CB-CG 4.15Å; V78-P532 HydrophobicContact CG1-CB 4.29Å; V78-P532 HydrophobicContact CG1-CG 4.09Å; F82-P532 HydrophobicContact CB-CB 3.82Å; F82-P532 HydrophobicContact CD2-CB 3.88Å; F82-P532 WeakPolarHBondContact CD2-O 3.27Å; F82-P532 HydrophobicContact CG-CB 4.32Å; A528-P532 VanDerWaalsContact O-CD 3.27Å; A528-P532 WeakPolarHBondContact O-CD 3.48Å; P532-F536 PolarHBondContact O-N 2.78Å |
| 533 | L | 86.1 | Confident | 84.1 | Confident | 21 Ų | 21 | 22.4 Ų | 22.4 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.1 | -47.7 | -176.1 | 177.9 | 62.1 | 0 | 0 | 0 | 111 | F82 L86 N94 V98 V530 Y531 M535 F536 L537 | F82-L533 HydrophobicContact CE2-CB 4.47Å; F82-L533 HydrophobicContact CE2-CD1 4.04Å; F82-L533 HydrophobicContact CZ-CD1 4.1Å; L86-L533 HydrophobicContact CD2-CD1 4.34Å; L86-L533 HydrophobicContact CD2-CD2 4.17Å; N94-L533 HydrophobicContact CB-CD2 3.79Å; V98-L533 HydrophobicContact CG2-CD2 3.69Å; V98-L533 HydrophobicContact CG2-CG 4.33Å; V530-L533 PolarHBondContact O-N 2.69Å; Y531-L533 PolarHBondContact O-N 2.76Å; L533-M535 VanDerWaalsContact C-N 3.34Å; L533-M535 PolarHBondContact O-N 2.85Å; L533-F536 PolarHBondContact O-N 2.91Å; L533-L537 HydrophobicContact CD1-CD1 4.2Å; L533-L537 HydrophobicContact CD1-CG 4.39Å; L533-L537 HydrophobicContact CG-CD1 4.04Å; L533-L537 WeakPolarHBondContact O-CG 3.4Å; L533-L537 PolarHBondContact O-N 3.46Å |
| 534 | V | 91.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 179.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | A97 V101 S503 T505 V530 F536 L537 R538 | A97-V534 HydrophobicContact CB-CG2 3.51Å; V101-V534 HydrophobicContact CG2-CB 4.49Å; V101-V534 HydrophobicContact CG2-CG1 3.86Å; V101-V534 HydrophobicContact CG2-CG2 4.47Å; S503-V534 WeakPolarHBondContact O-CG1 3.34Å; T505-V534 HydrophobicContact CG2-CG1 4.46Å; V530-V534 HydrophobicContact CB-CG2 4.3Å; V530-V534 WeakPolarHBondContact O-CB 3.42Å; V530-V534 VanDerWaalsContact O-CG2 3.28Å; V530-V534 WeakPolarHBondContact O-CG2 3.38Å; V530-V534 PolarHBondContact O-N 2.87Å; V534-F536 VanDerWaalsContact C-N 3.28Å; V534-F536 PolarHBondContact O-N 3.2Å; V534-L537 PolarHBondContact O-N 2.83Å; V534-L537 VanDerWaalsContact O-N 3.15Å; V534-R538 HydrophobicContact CG1-CG 4.04Å; V534-R538 WeakPolarHBondContact O-CB 3.33Å; V534-R538 WeakPolarHBondContact O-CG 2.81Å; V534-R538 PolarHBondContact O-N 3.01Å |
| 535 | M | 86.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -45.5 | -179.3 | 173.2 | 161.5 | -94.8 | 0 | 0 | 111.4 | I74 T505 Y531 L533 R538 I539 | I74-M535 HydrophobicContact CB-SD 4.35Å; I74-M535 HydrophobicContact CD1-CE 3.87Å; I74-M535 HydrophobicContact CD1-SD 4.19Å; I74-M535 HydrophobicContact CG1-CE 4.5Å; I74-M535 HydrophobicContact CG1-SD 4.37Å; I74-M535 HydrophobicContact CG2-CE 4.23Å; I74-M535 HydrophobicContact CG2-CG 4.23Å; I74-M535 HydrophobicContact CG2-SD 3.14Å; I74-M535 WeakPolarHBondContact CG2-SD 3.23Å; T505-M535 HydrophobicContact CG2-CB 4.2Å; T505-M535 HydrophobicContact CG2-CE 4.11Å; Y531-M535 HydrophobicContact CD1-SD 4.43Å; Y531-M535 HydrophobicContact CE1-CE 3.87Å; Y531-M535 HydrophobicContact CE1-SD 3.64Å; Y531-M535 HydrophobicContact CE2-CE 3.79Å; Y531-M535 WeakPolarHBondContact O-CB 3.45Å; Y531-M535 PolarHBondContact O-N 3.02Å; Y531-M535 WeakPolarHBondContact OH-CE 3.48Å; L533-M535 VanDerWaalsContact C-N 3.34Å; L533-M535 PolarHBondContact O-N 2.85Å; M535-R538 PolarHBondContact O-N 3.41Å; M535-I539 HydrophobicContact CG-CD1 4.09Å; M535-I539 WeakPolarHBondContact O-CD1 3.41Å; M535-I539 VanDerWaalsContact O-CG1 3.27Å; M535-I539 WeakPolarHBondContact O-CG1 3.4Å; M535-I539 PolarHBondContact O-N 2.91Å; M535-I539 VanDerWaalsContact O-N 3.12Å |
| 536 | F | 85 | Confident | 86.3 | Confident | 50 Ų | 50 | 22.9 Ų | 22.9 | 22% | 0.219 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -51 | 173.5 | 175.1 | -100.9 | 0 | 0 | 0 | 112 | F82 L407 I408 L411 P532 L533 V534 R538 I539 I540 | F82-F536 HydrophobicContact CE2-CB 3.8Å; F82-F536 HydrophobicContact CE2-CD1 4.34Å; F82-F536 HydrophobicContact CE2-CG 4.1Å; F82-F536 HydrophobicContact CZ-CD1 4.35Å; F82-F536 HydrophobicContact CZ-CG 4.43Å; L407-F536 HydrophobicContact CD2-CD2 4.11Å; I408-F536 HydrophobicContact CD1-CE2 4.31Å; I408-F536 HydrophobicContact CG1-CE2 4Å; L411-F536 HydrophobicContact CD1-CD2 4.15Å; P532-F536 PolarHBondContact O-N 2.78Å; L533-F536 PolarHBondContact O-N 2.91Å; V534-F536 VanDerWaalsContact C-N 3.28Å; V534-F536 PolarHBondContact O-N 3.2Å; F536-R538 VanDerWaalsContact C-N 3.33Å; F536-R538 PolarHBondContact O-N 3.11Å; F536-I539 PolarHBondContact O-N 2.93Å; F536-I540 HydrophobicContact CD1-CD1 4Å; F536-I540 HydrophobicContact CD2-CD1 4.12Å; F536-I540 HydrophobicContact CE1-CD1 3.41Å; F536-I540 VanDerWaalsContact CE1-CD1 3.41Å; F536-I540 HydrophobicContact CE2-CD1 3.54Å; F536-I540 HydrophobicContact CG-CD1 4.34Å; F536-I540 HydrophobicContact CZ-CD1 3.16Å; F536-I540 PolarHBondContact O-N 2.76Å |
| 537 | L | 91.2 | Very high | 86.4 | Confident | 49 Ų | 49 | 23.2 Ų | 23.2 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -62.2 | -39.2 | -178.9 | -67.5 | 172.5 | 0 | 0 | 0 | 112.5 | V98 V101 L533 V534 I539 I540 T541 | V98-L537 HydrophobicContact CB-CD1 4.45Å; V98-L537 HydrophobicContact CG1-CD1 4.44Å; V98-L537 HydrophobicContact CG2-CD1 3.7Å; V101-L537 HydrophobicContact CG1-CB 4.02Å; L533-L537 HydrophobicContact CD1-CD1 4.2Å; L533-L537 HydrophobicContact CD1-CG 4.39Å; L533-L537 HydrophobicContact CG-CD1 4.04Å; L533-L537 WeakPolarHBondContact O-CG 3.4Å; L533-L537 PolarHBondContact O-N 3.46Å; V534-L537 PolarHBondContact O-N 2.83Å; V534-L537 VanDerWaalsContact O-N 3.15Å; L537-I539 VanDerWaalsContact C-N 3.35Å; L537-I540 PolarHBondContact O-N 2.99Å; L537-T541 WeakPolarHBondContact O-CB 3.43Å; L537-T541 PolarHBondContact O-N 3.29Å; L537-T541 PolarHBondContact O-OG1 2.85Å |
| 538 | R | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -30.8 | 178.2 | -76.8 | -165 | 177.4 | -76.9 | 1.6 | 113.3 | V101 V130 N132 A135 S503 M504 V534 M535 F536 I540 P542 | V101-R538 HydrophobicContact CG1-CG 4.31Å; V101-R538 HydrophobicContact CG2-CG 4.01Å; V130-R538 VanDerWaalsContact CB-CZ 3.46Å; N132-R538 VanDerWaalsContact ND2-CB 3.34Å; N132-R538 WeakPolarHBondContact ND2-CB 3.35Å; A135-R538 VanDerWaalsContact CB-O 3.29Å; A135-R538 WeakPolarHBondContact CB-O 3.19Å; S503-R538 VanDerWaalsContact O-CZ 3.23Å; S503-R538 PolarHBondContact O-NE 3.37Å; S503-R538 PolarHBondContact O-NH2 3.16Å; M504-R538 PolarHBondContact SD-NH2 3.18Å; V534-R538 HydrophobicContact CG1-CG 4.04Å; V534-R538 WeakPolarHBondContact O-CB 3.33Å; V534-R538 WeakPolarHBondContact O-CG 2.81Å; V534-R538 PolarHBondContact O-N 3.01Å; M535-R538 PolarHBondContact O-N 3.41Å; F536-R538 VanDerWaalsContact C-N 3.33Å; F536-R538 PolarHBondContact O-N 3.11Å; R538-I540 VanDerWaalsContact C-N 3.35Å; R538-P542 WeakPolarHBondContact O-CD 3.37Å |
| 539 | I | 87.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | 174.3 | -73 | 166.5 | 0 | 0 | 0 | 110.9 | P134 A138 L407 M535 F536 L537 | P134-I539 HydrophobicContact CB-CD1 3.43Å; P134-I539 VanDerWaalsContact CB-CD1 3.43Å; P134-I539 HydrophobicContact CB-CG1 3.48Å; P134-I539 VanDerWaalsContact CB-CG1 3.48Å; P134-I539 HydrophobicContact CG-CD1 4.26Å; A138-I539 HydrophobicContact CB-CG2 3.94Å; L407-I539 HydrophobicContact CD1-CD1 4.4Å; L407-I539 HydrophobicContact CD2-CB 4.4Å; L407-I539 HydrophobicContact CD2-CD1 3.47Å; L407-I539 VanDerWaalsContact CD2-CD1 3.47Å; L407-I539 HydrophobicContact CD2-CG2 4.28Å; M535-I539 HydrophobicContact CG-CD1 4.09Å; M535-I539 WeakPolarHBondContact O-CD1 3.41Å; M535-I539 VanDerWaalsContact O-CG1 3.27Å; M535-I539 WeakPolarHBondContact O-CG1 3.4Å; M535-I539 PolarHBondContact O-N 2.91Å; M535-I539 VanDerWaalsContact O-N 3.12Å; F536-I539 PolarHBondContact O-N 2.93Å; L537-I539 VanDerWaalsContact C-N 3.35Å |
| 540 | I | 86.4 | Confident | 87.1 | Confident | 40 Ų | 40 | 27.4 Ų | 27.4 | 21% | 0.205 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77 | -31.4 | -180 | -69 | 175.6 | 0 | 0 | 0 | 112 | F536 L537 R538 Q543 L544 | F536-I540 HydrophobicContact CD1-CD1 4Å; F536-I540 HydrophobicContact CD2-CD1 4.12Å; F536-I540 HydrophobicContact CE1-CD1 3.41Å; F536-I540 VanDerWaalsContact CE1-CD1 3.41Å; F536-I540 HydrophobicContact CE2-CD1 3.54Å; F536-I540 HydrophobicContact CG-CD1 4.34Å; F536-I540 HydrophobicContact CZ-CD1 3.16Å; F536-I540 PolarHBondContact O-N 2.76Å; L537-I540 PolarHBondContact O-N 2.99Å; R538-I540 VanDerWaalsContact C-N 3.35Å; I540-Q543 WeakPolarHBondContact O-CA 3.42Å; I540-Q543 WeakPolarHBondContact O-CB 3.48Å; I540-Q543 PolarHBondContact O-N 3.25Å; I540-L544 HydrophobicContact CG2-CD1 3.63Å; I540-L544 HydrophobicContact CG2-CD2 4.4Å; I540-L544 HydrophobicContact CG2-CG 3.7Å; I540-L544 PolarHBondContact O-N 3.31Å |
| 541 | T | 91.5 | Very high | 86.2 | Confident | 19 Ų | 19 | 30.1 Ų | 30.1 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.2 | -49.1 | -173.6 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | F126 L537 Q543 L544 L545 | F126-T541 HydrophobicContact CE1-CG2 3.98Å; F126-T541 HydrophobicContact CE2-CG2 4.22Å; F126-T541 HydrophobicContact CZ-CG2 3.57Å; L537-T541 WeakPolarHBondContact O-CB 3.43Å; L537-T541 PolarHBondContact O-N 3.29Å; L537-T541 PolarHBondContact O-OG1 2.85Å; T541-Q543 VanDerWaalsContact C-N 3.26Å; T541-Q543 PolarHBondContact O-N 3.09Å; T541-L544 PolarHBondContact O-N 3.12Å; T541-L545 HydrophobicContact CG2-CD1 3.9Å; T541-L545 HydrophobicContact CG2-CG 4.19Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 2.88Å |
| 542 | P | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -35.3 | 175.9 | -20.6 | 28.3 | 0 | 0 | 0 | 113.1 | L123 F126 A135 R538 L545 A546 | L123-P542 HydrophobicContact CD2-CB 4.17Å; F126-P542 HydrophobicContact CD1-CG 3.98Å; F126-P542 HydrophobicContact CE1-CG 3.84Å; A135-P542 HydrophobicContact CB-CG 3.79Å; R538-P542 WeakPolarHBondContact O-CD 3.37Å; P542-L545 PolarHBondContact O-N 3.21Å; P542-A546 WeakPolarHBondContact O-CB 3.48Å; P542-A546 PolarHBondContact O-N 3.28Å |
| 543 | Q | 87.8 | Confident | 84.1 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | 176.5 | -58.1 | -178.8 | -6.3 | 0 | 0 | 110.8 | A138 I142 L400 I540 T541 L545 A546 V547 | A138-Q543 HydrophobicContact CB-CG 4.34Å; I142-Q543 HydrophobicContact CB-CG 4.27Å; I142-Q543 HydrophobicContact CG2-CG 4.27Å; L400-Q543 PolarHBondContact O-NE2 3.32Å; I540-Q543 WeakPolarHBondContact O-CA 3.42Å; I540-Q543 WeakPolarHBondContact O-CB 3.48Å; I540-Q543 PolarHBondContact O-N 3.25Å; T541-Q543 VanDerWaalsContact C-N 3.26Å; T541-Q543 PolarHBondContact O-N 3.09Å; Q543-L545 PolarHBondContact O-N 3.03Å; Q543-A546 PolarHBondContact O-N 3.02Å; Q543-V547 VanDerWaalsContact O-CB 3.23Å; Q543-V547 WeakPolarHBondContact O-CB 3.39Å; Q543-V547 WeakPolarHBondContact O-CG2 3.45Å; Q543-V547 PolarHBondContact O-N 3.24Å |
| 544 | L | 88 | Confident | 84 | Confident | 108 Ų | 108 | 39.7 Ų | 39.7 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62 | -44.1 | 176.4 | -66.5 | 177.8 | 0 | 0 | 0 | 112.1 | I540 T541 L548 | I540-L544 HydrophobicContact CG2-CD1 3.63Å; I540-L544 HydrophobicContact CG2-CD2 4.4Å; I540-L544 HydrophobicContact CG2-CG 3.7Å; I540-L544 PolarHBondContact O-N 3.31Å; T541-L544 PolarHBondContact O-N 3.12Å; L544-L548 WeakPolarHBondContact O-CB 3.27Å; L544-L548 PolarHBondContact O-N 3.32Å |
| 545 | L | 91.5 | Very high | 83.7 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.9 | -69.2 | 177 | 0 | 0 | 0 | 111.6 | T108 L123 T541 P542 Q543 V547 L548 F549 | T108-L545 HydrophobicContact CG2-CD1 3.98Å; L123-L545 HydrophobicContact CD2-CB 3.7Å; L123-L545 HydrophobicContact CD2-CD1 4.25Å; T541-L545 HydrophobicContact CG2-CD1 3.9Å; T541-L545 HydrophobicContact CG2-CG 4.19Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 2.88Å; P542-L545 PolarHBondContact O-N 3.21Å; Q543-L545 PolarHBondContact O-N 3.03Å; L545-V547 VanDerWaalsContact C-N 3.33Å; L545-V547 PolarHBondContact O-N 3.24Å; L545-L548 PolarHBondContact O-N 3.35Å; L545-F549 HydrophobicContact CB-CD2 4.31Å; L545-F549 HydrophobicContact CB-CE2 4.09Å; L545-F549 HydrophobicContact CD2-CE2 3.82Å; L545-F549 HydrophobicContact CD2-CZ 4.12Å; L545-F549 HydrophobicContact CG-CE2 4.47Å; L545-F549 WeakPolarHBondContact O-CB 3.47Å; L545-F549 WeakPolarHBondContact O-CD2 3.38Å; L545-F549 WeakPolarHBondContact O-CG 3.46Å; L545-F549 PolarHBondContact O-N 3.38Å |
| 546 | A | 89.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L123 I142 L143 L146 P542 Q543 F549 W550 | L123-A546 HydrophobicContact CD1-CB 3.74Å; I142-A546 HydrophobicContact CG1-CB 4.3Å; I142-A546 HydrophobicContact CG2-CB 3.73Å; L143-A546 HydrophobicContact CD2-CB 4.46Å; L146-A546 HydrophobicContact CD1-CB 4.27Å; P542-A546 WeakPolarHBondContact O-CB 3.48Å; P542-A546 PolarHBondContact O-N 3.28Å; Q543-A546 PolarHBondContact O-N 3.02Å; A546-F549 PolarHBondContact O-N 2.94Å; A546-W550 WeakPolarHBondContact O-CB 3.49Å; A546-W550 PolarHBondContact O-N 2.91Å |
| 547 | V | 84.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | -177.4 | 166.6 | 0 | 0 | 0 | 0 | 111.2 | I142 F394 L398 Q543 L545 S551 | I142-V547 HydrophobicContact CD1-CG2 4.03Å; I142-V547 HydrophobicContact CG1-CG2 3.94Å; F394-V547 HydrophobicContact CD1-CG1 3.26Å; F394-V547 HydrophobicContact CD2-CG1 4.24Å; F394-V547 HydrophobicContact CE1-CB 4.21Å; F394-V547 HydrophobicContact CE1-CG1 2.99Å; F394-V547 WeakPolarHBondContact CE1-O 3.48Å; F394-V547 HydrophobicContact CE2-CG1 3.97Å; F394-V547 HydrophobicContact CG-CG1 3.9Å; F394-V547 HydrophobicContact CZ-CG1 3.35Å; L398-V547 HydrophobicContact CD1-CG1 4.01Å; L398-V547 HydrophobicContact CD1-CG2 4.43Å; L398-V547 HydrophobicContact CD2-CB 4.34Å; L398-V547 HydrophobicContact CD2-CG1 3.96Å; L398-V547 HydrophobicContact CD2-CG2 3.35Å; Q543-V547 VanDerWaalsContact O-CB 3.23Å; Q543-V547 WeakPolarHBondContact O-CB 3.39Å; Q543-V547 WeakPolarHBondContact O-CG2 3.45Å; Q543-V547 PolarHBondContact O-N 3.24Å; L545-V547 VanDerWaalsContact C-N 3.33Å; L545-V547 PolarHBondContact O-N 3.24Å; V547-S551 PolarHBondContact O-N 3.16Å |
| 548 | L | 85.1 | Confident | 82.9 | Confident | 87 Ų | 87 | 43 Ų | 43 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | -179.9 | -169.3 | 141 | 0 | 0 | 0 | 112.6 | L544 L545 S551 I552 | L544-L548 WeakPolarHBondContact O-CB 3.27Å; L544-L548 PolarHBondContact O-N 3.32Å; L545-L548 PolarHBondContact O-N 3.35Å; L548-S551 PolarHBondContact O-OG 2.7Å; L548-I552 HydrophobicContact CD2-CD1 3.74Å; L548-I552 HydrophobicContact CG-CD1 4.29Å; L548-I552 WeakPolarHBondContact O-CD1 3.09Å; L548-I552 WeakPolarHBondContact O-CG1 3.05Å |
| 549 | F | 85.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.057 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -82.6 | -30.8 | 177.8 | -62.6 | -43.9 | 0 | 0 | 0 | 113.2 | A109 H112 L119 L545 A546 S551 I552 G553 | A109-F549 HydrophobicContact CB-CE1 4.46Å; A109-F549 HydrophobicContact CB-CE2 4.36Å; A109-F549 HydrophobicContact CB-CZ 3.56Å; H112-F549 HydrophobicContact CB-CE2 4.47Å; H112-F549 AromaticContact CD2-CD1 3.68Å; H112-F549 AromaticContact CD2-CD2 3.48Å; H112-F549 VanDerWaalsContact CD2-CD2 3.48Å; H112-F549 WeakPolarHBondContact CD2-CD2 3.32Å; H112-F549 AromaticContact CD2-CE1 3.95Å; H112-F549 AromaticContact CD2-CE2 3.73Å; H112-F549 AromaticContact CD2-CG 3.48Å; H112-F549 VanDerWaalsContact CD2-CG 3.48Å; H112-F549 WeakPolarHBondContact CD2-CG 3.38Å; H112-F549 AromaticContact CD2-CZ 3.98Å; H112-F549 AromaticContact NE2-CD2 3.92Å; H112-F549 AromaticContact NE2-CG 3.62Å; L119-F549 HydrophobicContact CD1-CB 3.86Å; L119-F549 HydrophobicContact CD1-CD2 3.8Å; L119-F549 HydrophobicContact CD1-CG 4.32Å; L545-F549 HydrophobicContact CB-CD2 4.31Å; L545-F549 HydrophobicContact CB-CE2 4.09Å; L545-F549 HydrophobicContact CD2-CE2 3.82Å; L545-F549 HydrophobicContact CD2-CZ 4.12Å; L545-F549 HydrophobicContact CG-CE2 4.47Å; L545-F549 WeakPolarHBondContact O-CB 3.47Å; L545-F549 WeakPolarHBondContact O-CD2 3.38Å; L545-F549 WeakPolarHBondContact O-CG 3.46Å; L545-F549 PolarHBondContact O-N 3.38Å; A546-F549 PolarHBondContact O-N 2.94Å; F549-S551 VanDerWaalsContact C-N 3.26Å; F549-S551 PolarHBondContact O-N 3.47Å; F549-I552 PolarHBondContact O-N 3.25Å; F549-I552 VanDerWaalsContact O-N 3.16Å; F549-G553 PolarHBondContact O-N 2.75Å |
| 550 | W | 77.2 | Confident | 82 | Confident | 95 Ų | 95 | 49.1 Ų | 49.1 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -30.2 | 173.4 | -170.7 | -86.9 | 0 | 0 | 0 | 112.8 | L119 L146 T148 A546 I552 | L119-W550 HydrophobicContact CD2-CE3 4.23Å; L146-W550 HydrophobicContact CB-CD2 4.15Å; L146-W550 HydrophobicContact CB-CE3 4.46Å; L146-W550 HydrophobicContact CB-CZ2 4.44Å; L146-W550 HydrophobicContact CD1-CB 3.98Å; L146-W550 HydrophobicContact CD1-CD2 4.18Å; L146-W550 HydrophobicContact CD1-CE3 4.46Å; L146-W550 HydrophobicContact CD1-CG 3.96Å; L146-W550 HydrophobicContact CD2-CG 4.18Å; L146-W550 HydrophobicContact CG-CG 4.46Å; L146-W550 VanDerWaalsContact O-CZ2 3.28Å; L146-W550 WeakPolarHBondContact O-CZ2 3.14Å; T148-W550 WeakPolarHBondContact OG1-CZ3 3.28Å; A546-W550 WeakPolarHBondContact O-CB 3.49Å; A546-W550 PolarHBondContact O-N 2.91Å; W550-I552 VanDerWaalsContact C-N 3.32Å |
| 551 | S | 68.9 | Low | 81.6 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.6 | 175.9 | 83.3 | 0 | 0 | 0 | 0 | 113.7 | V547 L548 F549 | V547-S551 PolarHBondContact O-N 3.16Å; L548-S551 PolarHBondContact O-OG 2.7Å; F549-S551 VanDerWaalsContact C-N 3.26Å; F549-S551 PolarHBondContact O-N 3.47Å |
| 552 | I | 64.8 | Low | 80.8 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -29.9 | -175 | -64.7 | 170.1 | 0 | 0 | 0 | 111.4 | L548 F549 W550 | L548-I552 HydrophobicContact CD2-CD1 3.74Å; L548-I552 HydrophobicContact CG-CD1 4.29Å; L548-I552 WeakPolarHBondContact O-CD1 3.09Å; L548-I552 WeakPolarHBondContact O-CG1 3.05Å; F549-I552 PolarHBondContact O-N 3.25Å; F549-I552 VanDerWaalsContact O-N 3.16Å; W550-I552 VanDerWaalsContact C-N 3.32Å |
| 553 | G | 56.6 | Low | 80 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 100% | 1.227 | 35% | 0.348 | S | S | * | . | trans | -78.6 | 0 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | F549 | F549-G553 PolarHBondContact O-N 2.75Š|
Retrieved 553 of 553 residues in 307.2 ms
(Link to these results)