| 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 | 65.3 | Low | 89.1 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 59% | 0.591 | 23% | 0.225 | S | C | * | . | 0 | -43.9 | 0 | -81.1 | -163.4 | -75.4 | 0 | 0 | 111.7 | T3 L4 S5 | M1-T3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-S5 PolarHBondContact O-N 2.92Å | |||
| 2 | E | 78.4 | Confident | 89.8 | Confident | 150 Ų | 150 | 39.2 Ų | 39.2 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -56.5 | -45.6 | -179.4 | -169.6 | 172.4 | -177.9 | 0 | 0 | 113.9 | L4 S5 N6 | E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.39Å; E2-S5 WeakPolarHBondContact O-CB 3.18Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-S5 VanDerWaalsContact O-N 3.14Å; E2-N6 PolarHBondContact O-N 3.41Å |
| 3 | T | 85.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 176 | -41.6 | 0 | 0 | 0 | 0 | 112.2 | M1 S5 N6 A7 E64 | M1-T3 PolarHBondContact O-N 2.91Å; T3-S5 PolarHBondContact O-N 3.18Å; T3-N6 PolarHBondContact O-N 3.4Å; T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 2.84Å; T3-E64 WeakPolarHBondContact CB-OE2 3.25Å; T3-E64 WeakPolarHBondContact CG2-OE1 3.35Å; T3-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E64 PolarHBondContact OG1-OE1 2.87Å; T3-E64 PolarHBondContact OG1-OE2 3.2Å |
| 4 | L | 90.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 178.2 | 178.3 | 62.8 | 0 | 0 | 0 | 112.2 | M1 E2 N6 A7 S8 L60 A69 F70 L73 | M1-L4 PolarHBondContact O-N 2.81Å; E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.39Å; L4-N6 VanDerWaalsContact C-N 3.35Å; L4-A7 PolarHBondContact O-N 3.16Å; L4-S8 WeakPolarHBondContact O-CB 3.47Å; L4-S8 PolarHBondContact O-N 2.91Å; L4-S8 PolarHBondContact O-OG 3.41Å; L4-L60 HydrophobicContact CD1-CD2 3.99Å; L4-A69 HydrophobicContact CB-CB 4.06Å; L4-A69 VanDerWaalsContact CD2-C 3.4Å; L4-A69 HydrophobicContact CD2-CB 3.79Å; L4-A69 WeakPolarHBondContact CD2-O 3.41Å; L4-A69 HydrophobicContact CG-CB 4.46Å; L4-F70 HydrophobicContact CD1-CD1 4.19Å; L4-F70 HydrophobicContact CD1-CD2 4.18Å; L4-F70 HydrophobicContact CD1-CE1 3.75Å; L4-F70 HydrophobicContact CD1-CE2 3.72Å; L4-F70 HydrophobicContact CD1-CG 4.39Å; L4-F70 HydrophobicContact CD1-CZ 3.5Å; L4-F70 HydrophobicContact CD2-CD1 3.98Å; L4-F70 HydrophobicContact CD2-CE1 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.11Å; L4-L73 HydrophobicContact CD2-CB 4.12Å; L4-L73 HydrophobicContact CD2-CD2 3.93Å |
| 5 | S | 90.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 111 | M1 E2 T3 G9 A364 N365 | M1-S5 PolarHBondContact O-N 2.92Å; E2-S5 WeakPolarHBondContact O-CB 3.18Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-S5 VanDerWaalsContact O-N 3.14Å; T3-S5 PolarHBondContact O-N 3.18Å; S5-G9 PolarHBondContact O-N 2.82Å; S5-A364 PolarHBondContact OG-O 3.43Å; S5-N365 PolarHBondContact OG-O 3.4Å |
| 6 | N | 92.9 | Very high | 91.4 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 177.8 | -69.7 | -16.9 | 0 | 0 | 0 | 112.2 | E2 T3 L4 T10 | E2-N6 PolarHBondContact O-N 3.41Å; T3-N6 PolarHBondContact O-N 3.4Å; L4-N6 VanDerWaalsContact C-N 3.35Å; N6-T10 WeakPolarHBondContact O-CB 3.46Å; N6-T10 PolarHBondContact O-N 3.41Å; N6-T10 PolarHBondContact O-OG1 3.12Å |
| 7 | A | 94 | Very high | 91.6 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -52 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T3 L4 G9 T10 F11 S59 L60 | T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 2.84Å; L4-A7 PolarHBondContact O-N 3.16Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.19Å; A7-T10 PolarHBondContact O-N 3.21Å; A7-F11 WeakPolarHBondContact O-CB 3.46Å; A7-F11 PolarHBondContact O-N 3.14Å; A7-S59 WeakPolarHBondContact CB-O 3.2Å; A7-L60 HydrophobicContact CB-CD2 4.04Å |
| 8 | S | 93.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | -179.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | L4 A12 | L4-S8 WeakPolarHBondContact O-CB 3.47Å; L4-S8 PolarHBondContact O-N 2.91Å; L4-S8 PolarHBondContact O-OG 3.41Å; S8-A12 VanDerWaalsContact O-CB 3.29Å; S8-A12 WeakPolarHBondContact O-CB 3.04Å; S8-A12 PolarHBondContact O-N 2.65Å |
| 9 | G | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S5 A7 A12 I13 | S5-G9 PolarHBondContact O-N 2.82Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.19Å; G9-A12 WeakPolarHBondContact O-CB 3.44Å; G9-A12 PolarHBondContact O-N 2.9Å; G9-I13 WeakPolarHBondContact O-CG1 3.3Å; G9-I13 PolarHBondContact O-N 2.93Å; G9-I13 VanDerWaalsContact O-N 3.1Å |
| 10 | T | 96.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 34% | 0.344 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | N6 A7 A12 I13 R14 | N6-T10 WeakPolarHBondContact O-CB 3.46Å; N6-T10 PolarHBondContact O-N 3.41Å; N6-T10 PolarHBondContact O-OG1 3.12Å; A7-T10 PolarHBondContact O-N 3.21Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.06Å; T10-I13 PolarHBondContact O-N 3.31Å; T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 2.98Å; T10-R14 VanDerWaalsContact O-N 3.08Å |
| 11 | F | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 172.9 | 174.9 | -103.1 | 0 | 0 | 0 | 111.8 | A7 I13 R14 L15 P32 I35 S36 L39 A57 L58 L287 | A7-F11 WeakPolarHBondContact O-CB 3.46Å; A7-F11 PolarHBondContact O-N 3.14Å; F11-I13 PolarHBondContact O-N 2.93Å; F11-R14 PolarHBondContact O-N 3.31Å; F11-L15 HydrophobicContact CE1-CD2 3.93Å; F11-L15 HydrophobicContact CZ-CB 4.48Å; F11-L15 HydrophobicContact CZ-CD2 4.12Å; F11-L15 VanDerWaalsContact O-CB 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 PolarHBondContact O-N 2.9Å; F11-P32 HydrophobicContact CD1-CB 4.17Å; F11-P32 HydrophobicContact CE1-CB 4.42Å; F11-I35 HydrophobicContact CE1-CB 4.16Å; F11-I35 HydrophobicContact CE1-CG2 3.74Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; F11-S36 WeakPolarHBondContact CD1-OG 3.29Å; F11-S36 WeakPolarHBondContact CE1-OG 3.37Å; F11-L39 HydrophobicContact CZ-CD1 4.44Å; F11-A57 WeakPolarHBondContact CD2-O 3.28Å; F11-L58 HydrophobicContact CD1-CD2 4.38Å; F11-L58 HydrophobicContact CD2-CD2 3.85Å; F11-L58 HydrophobicContact CE1-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 3.76Å; F11-L58 HydrophobicContact CG-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4Å; F11-L287 HydrophobicContact CE2-CD1 3.88Å |
| 12 | A | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S8 G9 T10 L16 P32 I367 | S8-A12 VanDerWaalsContact O-CB 3.29Å; S8-A12 WeakPolarHBondContact O-CB 3.04Å; S8-A12 PolarHBondContact O-N 2.65Å; G9-A12 WeakPolarHBondContact O-CB 3.44Å; G9-A12 PolarHBondContact O-N 2.9Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.06Å; A12-L16 VanDerWaalsContact O-CB 3.29Å; A12-L16 WeakPolarHBondContact O-CB 3.39Å; A12-L16 PolarHBondContact O-N 3.49Å; A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.45Å; A12-P32 VanDerWaalsContact CB-CG 3.45Å; A12-I367 HydrophobicContact CB-CB 4.39Å; A12-I367 HydrophobicContact CB-CD1 4.23Å; A12-I367 HydrophobicContact CB-CG2 4.35Å |
| 13 | I | 97.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | -179.7 | -58.8 | -49.3 | 0 | 0 | 0 | 111.5 | G9 T10 F11 K17 L246 F248 L251 F358 I367 | G9-I13 WeakPolarHBondContact O-CG1 3.3Å; G9-I13 PolarHBondContact O-N 2.93Å; G9-I13 VanDerWaalsContact O-N 3.1Å; T10-I13 PolarHBondContact O-N 3.31Å; F11-I13 PolarHBondContact O-N 2.93Å; I13-K17 HydrophobicContact CG2-CD 4.22Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 VanDerWaalsContact O-CG 3.3Å; I13-K17 WeakPolarHBondContact O-CG 3.45Å; I13-K17 PolarHBondContact O-N 2.91Å; I13-L246 HydrophobicContact CD1-CD2 3.81Å; I13-L246 HydrophobicContact CD1-CG 4.1Å; I13-L246 HydrophobicContact CG2-CD2 4.31Å; I13-L246 HydrophobicContact CG2-CG 4.05Å; I13-L246 WeakPolarHBondContact CG2-O 3.27Å; I13-F248 HydrophobicContact CG1-CB 4.05Å; I13-L251 HydrophobicContact CD1-CD2 4.5Å; I13-F358 HydrophobicContact CD1-CE1 3.8Å; I13-F358 HydrophobicContact CD1-CZ 4.35Å; I13-I367 HydrophobicContact CD1-CD1 4.43Å |
| 14 | R | 96.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 39.2 Ų | 39.2 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -44.5 | 175 | -72.8 | 176.1 | 66.5 | -171.8 | -1.7 | 111.7 | T10 F11 K17 I18 L287 | T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 2.98Å; T10-R14 VanDerWaalsContact O-N 3.08Å; F11-R14 PolarHBondContact O-N 3.31Å; R14-K17 PolarHBondContact O-N 3.23Å; R14-I18 WeakPolarHBondContact O-CG1 3.14Å; R14-I18 PolarHBondContact O-N 3.33Å; R14-L287 HydrophobicContact CB-CD2 4.14Å |
| 15 | L | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 177 | 176.9 | 61 | 0 | 0 | 0 | 110.8 | F11 K17 I18 L19 I35 M280 V283 L287 | F11-L15 HydrophobicContact CE1-CD2 3.93Å; F11-L15 HydrophobicContact CZ-CB 4.48Å; F11-L15 HydrophobicContact CZ-CD2 4.12Å; F11-L15 VanDerWaalsContact O-CB 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 PolarHBondContact O-N 2.9Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; L15-I18 PolarHBondContact O-N 3.4Å; L15-L19 HydrophobicContact CD1-CD1 4.05Å; L15-L19 HydrophobicContact CD1-CG 4.1Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å; L15-I35 HydrophobicContact CD2-CD1 3.49Å; L15-I35 VanDerWaalsContact CD2-CD1 3.49Å; L15-M280 HydrophobicContact CD1-CE 3.98Å; L15-V283 HydrophobicContact CD1-CG1 3.43Å; L15-V283 VanDerWaalsContact CD1-CG1 3.43Å; L15-L287 HydrophobicContact CD1-CD1 4.45Å |
| 16 | L | 95.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.6 | -44.5 | 177.8 | -177.5 | 64.8 | 0 | 0 | 0 | 111.6 | A12 I18 L19 C20 V28 L246 L356 F358 C370 | A12-L16 VanDerWaalsContact O-CB 3.29Å; A12-L16 WeakPolarHBondContact O-CB 3.39Å; A12-L16 PolarHBondContact O-N 3.49Å; L16-I18 VanDerWaalsContact C-N 3.28Å; L16-I18 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.38Å; L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 2.89Å; L16-C20 PolarHBondContact O-SG 3.42Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; L16-V28 HydrophobicContact CD1-CG1 3.93Å; L16-L246 HydrophobicContact CD2-CD2 4.43Å; L16-L356 HydrophobicContact CD2-CD1 4.41Å; L16-L356 HydrophobicContact CD2-CD2 4.3Å; L16-F358 HydrophobicContact CD2-CE1 3.86Å; L16-F358 HydrophobicContact CD2-CZ 4.02Å; L16-C370 HydrophobicContact CD2-CB 4.36Å |
| 17 | K | 94.7 | Very high | 92.2 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -33.4 | 177.1 | -80.9 | 177 | 162.7 | -179.8 | 0 | 113.7 | I13 R14 L15 Q21 E243 K244 L246 | I13-K17 HydrophobicContact CG2-CD 4.22Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 VanDerWaalsContact O-CG 3.3Å; I13-K17 WeakPolarHBondContact O-CG 3.45Å; I13-K17 PolarHBondContact O-N 2.91Å; R14-K17 PolarHBondContact O-N 3.23Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; K17-Q21 VanDerWaalsContact O-CG 3.3Å; K17-Q21 WeakPolarHBondContact O-CG 3.44Å; K17-Q21 PolarHBondContact O-NE2 3.41Å; K17-Q21 VanDerWaalsContact O-NE2 3.17Å; K17-E243 WeakPolarHBondContact CE-O 3.33Å; K17-K244 PolarHBondContact NZ-O 3.46Å; K17-L246 VanDerWaalsContact CE-O 3.27Å; K17-L246 WeakPolarHBondContact CE-O 3.32Å; K17-L246 PolarHBondContact NZ-O 3.05Å |
| 18 | I | 93.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.5 | -47.9 | 176.2 | -68.6 | 170.1 | 0 | 0 | 0 | 109.6 | R14 L15 L16 C20 Q21 V283 H286 L287 | R14-I18 WeakPolarHBondContact O-CG1 3.14Å; R14-I18 PolarHBondContact O-N 3.33Å; L15-I18 PolarHBondContact O-N 3.4Å; L16-I18 VanDerWaalsContact C-N 3.28Å; L16-I18 PolarHBondContact O-N 3.15Å; I18-C20 PolarHBondContact O-N 2.95Å; I18-Q21 WeakPolarHBondContact O-CB 3.42Å; I18-Q21 PolarHBondContact O-N 3.05Å; I18-Q21 VanDerWaalsContact O-N 3.16Å; I18-V283 HydrophobicContact CG2-CG1 4.07Å; I18-H286 HydrophobicContact CD1-CB 4.36Å; I18-L287 HydrophobicContact CD1-CD1 4.12Å; I18-L287 HydrophobicContact CD1-CD2 3.37Å; I18-L287 HydrophobicContact CD1-CG 3.44Å; I18-L287 VanDerWaalsContact CD1-CG 3.44Å |
| 19 | L | 93.8 | Very high | 92.4 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -28.9 | -179.4 | -62.7 | 179.3 | 0 | 0 | 0 | 112.9 | L15 L16 V28 C30 Y278 V283 | L15-L19 HydrophobicContact CD1-CD1 4.05Å; L15-L19 HydrophobicContact CD1-CG 4.1Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.38Å; L19-V28 HydrophobicContact CB-CG1 3.65Å; L19-V28 HydrophobicContact CB-CG2 4.44Å; L19-V28 HydrophobicContact CD1-CG1 3.99Å; L19-V28 HydrophobicContact CG-CG1 4.49Å; L19-C30 HydrophobicContact CD1-CB 4.26Å; L19-Y278 HydrophobicContact CD1-CD1 4.41Å; L19-Y278 HydrophobicContact CD1-CE1 3.89Å; L19-Y278 HydrophobicContact CD2-CD1 3.65Å; L19-Y278 HydrophobicContact CD2-CE1 3.65Å; L19-Y278 HydrophobicContact CG-CE1 4.26Å; L19-V283 HydrophobicContact CD2-CG1 4.25Å; L19-V283 HydrophobicContact CD2-CG2 3.91Å |
| 20 | C | 92.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.9 | 178.3 | -74.8 | 0 | 0 | 0 | 0 | 115 | L16 I18 E243 R372 | L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 2.89Å; L16-C20 PolarHBondContact O-SG 3.42Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; I18-C20 PolarHBondContact O-N 2.95Å; C20-E243 WeakPolarHBondContact CB-OE1 3.34Å; C20-E243 PolarHBondContact SG-OE1 2.92Å; C20-R372 PolarHBondContact O-NH1 2.85Å; C20-R372 VanDerWaalsContact O-NH1 3.16Å |
| 21 | Q | 87.7 | Confident | 92.4 | Very high | 135 Ų | 135 | 41 Ų | 41 | 63% | 0.631 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -71.5 | -34.8 | -172.2 | -85.1 | 165.2 | 29.8 | 0 | 0 | 114.6 | K17 I18 | K17-Q21 VanDerWaalsContact O-CG 3.3Å; K17-Q21 WeakPolarHBondContact O-CG 3.44Å; K17-Q21 PolarHBondContact O-NE2 3.41Å; K17-Q21 VanDerWaalsContact O-NE2 3.17Å; I18-Q21 WeakPolarHBondContact O-CB 3.42Å; I18-Q21 PolarHBondContact O-N 3.05Å; I18-Q21 VanDerWaalsContact O-N 3.16Å |
| 22 | D | 76.1 | Confident | 92.4 | Very high | 151 Ų | 151 | 41 Ų | 41 | 81% | 0.807 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -78.6 | -46.9 | -164.5 | -65.7 | -32.1 | 0 | 0 | 0 | 113.1 | ||
| 23 | N | 82.6 | Confident | 92.3 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | trans | -140.5 | 106.5 | -176.1 | -174.4 | -6.7 | 0 | 0 | 0 | 111.8 | S25 H26 R372 | N23-S25 PolarHBondContact O-N 2.99Å; N23-S25 PolarHBondContact OD1-N 3.11Å; N23-S25 PolarHBondContact OD1-OG 3.37Å; N23-H26 HydrophobicContact CB-CB 4.04Å; N23-H26 PolarHBondContact O-N 3.27Å; N23-H26 VanDerWaalsContact O-N 3.17Å; N23-R372 PolarHBondContact O-NH2 3.03Å | ||
| 24 | P | 84.3 | Confident | 92.2 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 62% | 0.623 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.4 | 179.1 | -25.9 | 35.1 | 0 | 0 | 0 | 115.1 | S374 | P24-S374 WeakPolarHBondContact O-CB 3.4Å; P24-S374 PolarHBondContact O-OG 2.93Å |
| 25 | S | 84.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.1 | -177.9 | 74.5 | 0 | 0 | 0 | 0 | 113.6 | N23 | N23-S25 PolarHBondContact O-N 2.99Å; N23-S25 PolarHBondContact OD1-N 3.11Å; N23-S25 PolarHBondContact OD1-OG 3.37Å |
| 26 | H | 90.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 46% | 0.463 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -88.5 | 143.4 | 179.4 | -158.6 | -89.1 | 0 | 0 | 0 | 111.3 | N23 E276 R372 | N23-H26 HydrophobicContact CB-CB 4.04Å; N23-H26 PolarHBondContact O-N 3.27Å; N23-H26 VanDerWaalsContact O-N 3.17Å; H26-E276 IonicContact CE1-OE1 3.84Å; H26-E276 IonicContact CE1-OE2 2.8Å; H26-E276 PolarHBondContact CE1-OE2 3.4Å; H26-R372 PolarHBondContact O-NE 2.81Å; H26-R372 PolarHBondContact O-NH2 2.94Å |
| 27 | N | 95.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | trans | -67.6 | 152.5 | 170.5 | -65.7 | -32.6 | 0 | 0 | 0 | 110.3 | L274 R372 F373 S374 S375 | N27-L274 HydrophobicContact CB-CD2 3.69Å; N27-L274 VanDerWaalsContact ND2-CD2 3.26Å; N27-L274 WeakPolarHBondContact ND2-CD2 3.38Å; N27-R372 CarbonylContact C-O 3.6Å; N27-R372 WeakPolarHBondContact CA-O 3.42Å; N27-F373 WeakPolarHBondContact OD1-CA 3.31Å; N27-S374 PolarHBondContact OD1-N 3.18Å; N27-S375 PolarHBondContact ND2-O 3.3Å; N27-S375 PolarHBondContact OD1-N 3.24Å; N27-S375 PolarHBondContact OD1-O 2.78Å | ||
| 28 | V | 96.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.7 | 172.2 | 176 | 0 | 0 | 0 | 0 | 106.6 | L16 L19 G371 R372 | L16-V28 HydrophobicContact CD1-CG1 3.93Å; L19-V28 HydrophobicContact CB-CG1 3.65Å; L19-V28 HydrophobicContact CB-CG2 4.44Å; L19-V28 HydrophobicContact CD1-CG1 3.99Å; L19-V28 HydrophobicContact CG-CG1 4.49Å; V28-G371 CarbonylContact O-C 3.58Å; V28-G371 WeakPolarHBondContact O-CA 3.37Å; V28-R372 HydrophobicContact CB-CB 4.11Å; V28-R372 HydrophobicContact CG2-CB 4.48Å; V28-R372 PolarHBondContact N-O 2.75Å; V28-R372 PolarHBondContact O-N 3.39Å |
| 29 | F | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 128.5 | 175.2 | -177.9 | -118.7 | 0 | 0 | 0 | 109.6 | L274 E276 Y278 S318 V320 F357 F369 C370 | F29-L274 HydrophobicContact CB-CB 4.14Å; F29-L274 HydrophobicContact CB-CD1 4.26Å; F29-L274 HydrophobicContact CD1-CB 4.43Å; F29-L274 HydrophobicContact CG-CB 4.31Å; F29-E276 HydrophobicContact CB-CB 4.27Å; F29-E276 HydrophobicContact CB-CG 3.73Å; F29-E276 WeakPolarHBondContact O-CB 3.35Å; F29-Y278 PolarHBondContact N-OH 3.35Å; F29-Y278 VanDerWaalsContact N-OH 3.08Å; F29-Y278 WeakPolarHBondContact O-CE2 3.22Å; F29-Y278 PolarHBondContact O-OH 3.2Å; F29-S318 WeakPolarHBondContact CD1-OG 3.35Å; F29-S318 WeakPolarHBondContact CE1-OG 3.34Å; F29-S318 PolarHBondContact O-OG 3.2Å; F29-S318 VanDerWaalsContact O-OG 3.08Å; F29-V320 HydrophobicContact CD1-CB 4.43Å; F29-V320 HydrophobicContact CD1-CG1 3.81Å; F29-V320 HydrophobicContact CD2-CG1 3.88Å; F29-V320 HydrophobicContact CE1-CB 3.65Å; F29-V320 HydrophobicContact CE1-CG1 3.52Å; F29-V320 HydrophobicContact CE2-CB 3.92Å; F29-V320 HydrophobicContact CE2-CG1 3.54Å; F29-V320 HydrophobicContact CG-CG1 4.01Å; F29-V320 HydrophobicContact CZ-CB 3.36Å; F29-V320 HydrophobicContact CZ-CG1 3.39Å; F29-V320 HydrophobicContact CZ-CG2 4.32Å; F29-F357 AromaticContact CD2-CE2 3.76Å; F29-F357 HydrophobicContact CD2-CE2 3.76Å; F29-F357 AromaticContact CD2-CZ 3.59Å; F29-F357 HydrophobicContact CD2-CZ 3.59Å; F29-F357 AromaticContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CZ 4.16Å; F29-F357 HydrophobicContact CG-CZ 4.48Å; F29-F369 HydrophobicContact CE1-CD1 4.04Å; F29-F369 HydrophobicContact CE1-CE1 4.41Å; F29-F369 HydrophobicContact CE2-CB 3.57Å; F29-F369 AromaticContact CE2-CD1 3.76Å; F29-F369 HydrophobicContact CE2-CD1 3.76Å; F29-F369 AromaticContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CZ-CB 3.94Å; F29-F369 AromaticContact CZ-CD1 3.21Å; F29-F369 HydrophobicContact CZ-CD1 3.21Å; F29-F369 AromaticContact CZ-CE1 3.85Å; F29-F369 HydrophobicContact CZ-CE1 3.85Å; F29-F369 AromaticContact CZ-CG 3.76Å; F29-F369 HydrophobicContact CZ-CG 3.76Å; F29-C370 WeakPolarHBondContact CA-O 3.26Å |
| 30 | C | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 170.1 | 174.1 | 68.6 | 0 | 0 | 0 | 0 | 111 | L19 P32 I35 Y278 S318 F369 C370 | L19-C30 HydrophobicContact CD1-CB 4.26Å; C30-P32 WeakPolarHBondContact O-CD 3.47Å; C30-I35 HydrophobicContact CB-CD1 4.25Å; C30-Y278 HydrophobicContact CB-CE2 4.07Å; C30-S318 WeakPolarHBondContact CA-OG 3.4Å; C30-F369 VanDerWaalsContact O-CA 3.32Å; C30-F369 WeakPolarHBondContact O-CA 3.31Å; C30-C370 PolarHBondContact N-O 3.22Å; C30-C370 PolarHBondContact O-N 3.21Å; C30-C370 VanDerWaalsContact O-N 3.11Å; C30-C370 VanDerWaalsContact SG-SG 3.69Å |
| 31 | S | 96.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -112.1 | 95.2 | 169.3 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | V33 S34 I35 H316 L368 | S31-V33 VanDerWaalsContact C-N 3.33Å; S31-V33 PolarHBondContact O-N 2.98Å; S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 WeakPolarHBondContact OG-CB 3.4Å; S31-S34 PolarHBondContact OG-N 2.96Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.35Å; S31-H316 PolarHBondContact N-NE2 2.88Å; S31-L368 VanDerWaalsContact CA-O 3.26Å; S31-L368 WeakPolarHBondContact CA-O 3.35Å; S31-L368 VanDerWaalsContact CB-O 3.28Å; S31-L368 WeakPolarHBondContact CB-O 3.36Å; S31-L368 PolarHBondContact OG-O 2.86Å | ||
| 32 | P | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 178.9 | -27.1 | 35.5 | 0 | 0 | 0 | 113.5 | F11 A12 C30 S34 I35 S36 C370 | F11-P32 HydrophobicContact CD1-CB 4.17Å; F11-P32 HydrophobicContact CE1-CB 4.42Å; A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.45Å; A12-P32 VanDerWaalsContact CB-CG 3.45Å; C30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 2.64Å; P32-I35 PolarHBondContact O-N 3.41Å; P32-S36 VanDerWaalsContact O-CB 3.28Å; P32-S36 WeakPolarHBondContact O-CB 3.29Å; P32-S36 PolarHBondContact O-N 3.28Å; P32-S36 PolarHBondContact O-OG 2.78Å; P32-C370 WeakPolarHBondContact CG-SG 3.37Å |
| 33 | V | 94.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -42 | 176.7 | 162 | 0 | 0 | 0 | 0 | 111.3 | S31 S37 L73 I367 L368 | S31-V33 VanDerWaalsContact C-N 3.33Å; S31-V33 PolarHBondContact O-N 2.98Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.43Å; V33-L73 HydrophobicContact CG1-CD2 3.77Å; V33-L73 HydrophobicContact CG1-CG 4.47Å; V33-L73 HydrophobicContact CG2-CD2 4.37Å; V33-I367 WeakPolarHBondContact CG2-O 3.32Å; V33-L368 HydrophobicContact CB-CD2 4.44Å; V33-L368 HydrophobicContact CG1-CD2 4.3Å; V33-L368 HydrophobicContact CG2-CD2 4.46Å |
| 34 | S | 95.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 178 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | S31 P32 S37 A38 N163 | S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 WeakPolarHBondContact OG-CB 3.4Å; S31-S34 PolarHBondContact OG-N 2.96Å; P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 2.64Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact O-OG 2.96Å; S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.91Å; S34-N163 WeakPolarHBondContact CB-OD1 3.08Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 2.75Å; S34-N163 PolarHBondContact OG-OD1 3.42Å |
| 35 | I | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 175.2 | -67.7 | 165 | 0 | 0 | 0 | 111.2 | F11 L15 C30 S31 P32 S37 A38 L39 M280 F314 H316 | F11-I35 HydrophobicContact CE1-CB 4.16Å; F11-I35 HydrophobicContact CE1-CG2 3.74Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; L15-I35 HydrophobicContact CD2-CD1 3.49Å; L15-I35 VanDerWaalsContact CD2-CD1 3.49Å; C30-I35 HydrophobicContact CB-CD1 4.25Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.35Å; P32-I35 PolarHBondContact O-N 3.41Å; I35-S37 VanDerWaalsContact C-N 3.32Å; I35-S37 PolarHBondContact O-N 3Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 2.82Å; I35-A38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.49Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-M280 HydrophobicContact CD1-CE 3.99Å; I35-M280 HydrophobicContact CD1-SD 4.31Å; I35-M280 HydrophobicContact CG2-CE 4.01Å; I35-F314 HydrophobicContact CB-CZ 4.43Å; I35-F314 HydrophobicContact CG1-CZ 4.34Å; I35-F314 HydrophobicContact CG2-CE1 3.98Å; I35-F314 HydrophobicContact CG2-CZ 4Å; I35-H316 HydrophobicContact CD1-CB 4.36Å; I35-H316 HydrophobicContact CG1-CB 4.19Å |
| 36 | S | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 177.9 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | F11 P32 A38 L39 A40 | F11-S36 WeakPolarHBondContact CD1-OG 3.29Å; F11-S36 WeakPolarHBondContact CE1-OG 3.37Å; P32-S36 VanDerWaalsContact O-CB 3.28Å; P32-S36 WeakPolarHBondContact O-CB 3.29Å; P32-S36 PolarHBondContact O-N 3.28Å; P32-S36 PolarHBondContact O-OG 2.78Å; S36-A38 VanDerWaalsContact C-N 3.32Å; S36-A38 PolarHBondContact O-N 3.28Å; S36-L39 PolarHBondContact O-N 3.24Å; S36-A40 WeakPolarHBondContact O-CB 3.5Å; S36-A40 PolarHBondContact O-N 2.89Å |
| 37 | S | 95.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 177 | 77.9 | 0 | 0 | 0 | 0 | 111.5 | V33 S34 I35 A40 M41 Y112 | V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.43Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact O-OG 2.96Å; I35-S37 VanDerWaalsContact C-N 3.32Å; I35-S37 PolarHBondContact O-N 3Å; S37-A40 PolarHBondContact O-N 2.88Å; S37-M41 WeakPolarHBondContact O-CG 3.15Å; S37-M41 PolarHBondContact O-N 2.81Å; S37-Y112 WeakPolarHBondContact O-CE1 3.49Å |
| 38 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S34 I35 S36 M41 V42 N90 L161 N163 F314 | S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.91Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 2.82Å; I35-A38 VanDerWaalsContact O-N 3.14Å; S36-A38 VanDerWaalsContact C-N 3.32Å; S36-A38 PolarHBondContact O-N 3.28Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 2.67Å; A38-V42 PolarHBondContact O-N 2.8Å; A38-N90 WeakPolarHBondContact CB-OD1 3.4Å; A38-L161 HydrophobicContact CB-CD1 4.08Å; A38-L161 HydrophobicContact CB-CD2 3.89Å; A38-L161 HydrophobicContact CB-CG 4.24Å; A38-N163 HydrophobicContact CB-CB 4.16Å; A38-F314 HydrophobicContact CB-CE2 4.46Å; A38-F314 HydrophobicContact CB-CZ 4.3Å |
| 39 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 173.8 | -71.1 | 169.4 | 0 | 0 | 0 | 111.8 | F11 I35 S36 M41 V42 L43 M54 L58 L161 L284 I289 F314 | F11-L39 HydrophobicContact CZ-CD1 4.44Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.49Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.48Å; S36-L39 PolarHBondContact O-N 3.24Å; L39-M41 PolarHBondContact O-N 2.93Å; L39-V42 WeakPolarHBondContact O-CA 3.24Å; L39-V42 WeakPolarHBondContact O-CB 3.46Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-L43 PolarHBondContact O-N 3.06Å; L39-M54 HydrophobicContact CB-CE 4.29Å; L39-M54 HydrophobicContact CD2-CE 4.35Å; L39-M54 WeakPolarHBondContact O-CE 3.42Å; L39-L58 HydrophobicContact CB-CD1 3.83Å; L39-L58 HydrophobicContact CB-CD2 4.28Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; L39-L161 HydrophobicContact CD2-CD2 4.36Å; L39-L284 HydrophobicContact CD1-CD1 4.01Å; L39-L284 HydrophobicContact CD1-CD2 3.67Å; L39-L284 HydrophobicContact CD2-CD1 3.79Å; L39-L284 HydrophobicContact CG-CD1 4.46Å; L39-I289 HydrophobicContact CD1-CD1 4.22Å; L39-F314 HydrophobicContact CD1-CE1 4.12Å; L39-F314 HydrophobicContact CD2-CD1 3.87Å; L39-F314 HydrophobicContact CD2-CE1 3.78Å; L39-F314 HydrophobicContact CG-CD1 4.39Å; L39-F314 HydrophobicContact CG-CE1 3.78Å |
| 40 | A | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.9 | -25.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S36 S37 L43 L44 F70 Y112 | S36-A40 WeakPolarHBondContact O-CB 3.5Å; S36-A40 PolarHBondContact O-N 2.89Å; S37-A40 PolarHBondContact O-N 2.88Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 3.46Å; A40-L44 PolarHBondContact O-N 2.84Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A40-F70 HydrophobicContact CB-CD2 3.76Å; A40-F70 HydrophobicContact CB-CE2 3.4Å; A40-F70 VanDerWaalsContact CB-CE2 3.4Å; A40-F70 HydrophobicContact CB-CZ 3.95Å; A40-Y112 HydrophobicContact CB-CE1 3.9Å; A40-Y112 WeakPolarHBondContact CB-OH 3.41Å; A40-Y112 PolarHBondContact O-OH 2.83Å |
| 41 | M | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 166.9 | -63.4 | -173.2 | -43.1 | 0 | 0 | 112.4 | S37 A38 L39 L43 L44 N90 L92 F104 Y112 A114 L161 | S37-M41 WeakPolarHBondContact O-CG 3.15Å; S37-M41 PolarHBondContact O-N 2.81Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 2.67Å; L39-M41 PolarHBondContact O-N 2.93Å; M41-L43 VanDerWaalsContact C-N 3.3Å; M41-L44 WeakPolarHBondContact O-CB 3.46Å; M41-L44 PolarHBondContact O-N 3.24Å; M41-N90 VanDerWaalsContact CE-CG 3.5Å; M41-N90 WeakPolarHBondContact CE-ND2 3.43Å; M41-N90 WeakPolarHBondContact CE-OD1 3.28Å; M41-N90 PolarHBondContact SD-ND2 3.35Å; M41-N90 VanDerWaalsContact SD-ND2 3.39Å; M41-L92 HydrophobicContact CE-CG 4.37Å; M41-F104 WeakPolarHBondContact O-CE2 3.49Å; M41-Y112 HydrophobicContact CB-CD2 4.39Å; M41-Y112 HydrophobicContact CG-CD1 3.61Å; M41-Y112 HydrophobicContact CG-CD2 3.53Å; M41-Y112 HydrophobicContact CG-CE1 4.13Å; M41-Y112 HydrophobicContact CG-CE2 4.07Å; M41-Y112 HydrophobicContact CG-CG 3.27Å; M41-Y112 VanDerWaalsContact SD-CB 3.6Å; M41-Y112 HydrophobicContact SD-CD1 4.49Å; M41-Y112 HydrophobicContact SD-CG 4Å; M41-A114 HydrophobicContact CE-CB 4.29Å; M41-A114 HydrophobicContact SD-CB 3.31Å; M41-A114 WeakPolarHBondContact SD-CB 3.33Å; M41-L161 HydrophobicContact CE-CD1 3.63Å |
| 42 | V | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.3 | -35.6 | 175 | 175.5 | 0 | 0 | 0 | 0 | 110 | A38 L39 L44 G45 A46 M54 L92 L161 L300 M303 | A38-V42 PolarHBondContact O-N 2.8Å; L39-V42 WeakPolarHBondContact O-CA 3.24Å; L39-V42 WeakPolarHBondContact O-CB 3.46Å; L39-V42 PolarHBondContact O-N 3.3Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.31Å; V42-G45 CarbonylContact O-C 3.53Å; V42-G45 WeakPolarHBondContact O-CA 3.49Å; V42-G45 PolarHBondContact O-N 3.01Å; V42-A46 PolarHBondContact O-N 2.88Å; V42-A46 VanDerWaalsContact O-N 3.16Å; V42-M54 HydrophobicContact CB-CE 3.68Å; V42-M54 HydrophobicContact CG1-CE 3.69Å; V42-M54 HydrophobicContact CG1-SD 4.14Å; V42-L92 HydrophobicContact CG2-CD2 3.89Å; V42-L161 HydrophobicContact CG2-CD2 3.94Å; V42-L300 HydrophobicContact CG1-CD2 4.04Å; V42-M303 HydrophobicContact CG1-CE 4.31Å |
| 43 | L | 96.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -34.7 | 176.1 | -178.7 | 58.3 | 0 | 0 | 0 | 112.8 | L39 A40 M41 G45 A46 A51 M54 L60 I66 | L39-L43 PolarHBondContact O-N 3.06Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 3.46Å; M41-L43 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.93Å; L43-G45 VanDerWaalsContact O-N 3.12Å; L43-A46 HydrophobicContact CD1-CB 4.4Å; L43-A46 PolarHBondContact O-N 3.26Å; L43-A51 HydrophobicContact CD1-CB 3.7Å; L43-M54 HydrophobicContact CB-CE 4.13Å; L43-M54 HydrophobicContact CD1-CB 4.14Å; L43-L60 HydrophobicContact CD2-CD1 4.11Å; L43-I66 HydrophobicContact CD2-CD1 3.62Å |
| 44 | L | 95.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 17% | 0.168 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.4 | 170.5 | -82.3 | 173.2 | 0 | 0 | 0 | 112.3 | A40 M41 V42 H67 F104 F111 Y112 | A40-L44 PolarHBondContact O-N 2.84Å; A40-L44 VanDerWaalsContact O-N 3.12Å; M41-L44 WeakPolarHBondContact O-CB 3.46Å; M41-L44 PolarHBondContact O-N 3.24Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.31Å; L44-H67 HydrophobicContact CD2-CB 4.45Å; L44-H67 VanDerWaalsContact CD2-CE1 3.45Å; L44-H67 WeakPolarHBondContact CD2-CE1 3.41Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.41Å; L44-H67 VanDerWaalsContact CG-CE1 3.49Å; L44-H67 WeakPolarHBondContact CG-CE1 3.42Å; L44-F104 HydrophobicContact CB-CD2 4.19Å; L44-F104 HydrophobicContact CB-CE2 3.88Å; L44-F111 HydrophobicContact CD1-CD2 4.48Å; L44-F111 HydrophobicContact CD2-CD2 4.29Å; L44-Y112 HydrophobicContact CD1-CD2 3.78Å; L44-Y112 HydrophobicContact CD1-CE2 3.45Å; L44-Y112 VanDerWaalsContact CD1-CE2 3.45Å; L44-Y112 HydrophobicContact CG-CE2 3.96Å |
| 45 | G | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V42 L43 L300 A302 M303 | V42-G45 CarbonylContact O-C 3.53Å; V42-G45 WeakPolarHBondContact O-CA 3.49Å; V42-G45 PolarHBondContact O-N 3.01Å; L43-G45 PolarHBondContact O-N 2.93Å; L43-G45 VanDerWaalsContact O-N 3.12Å; G45-L300 CarbonylContact O-C 3.59Å; G45-L300 WeakPolarHBondContact O-CA 3.38Å; G45-A302 CarbonylContact O-C 3.5Å; G45-A302 WeakPolarHBondContact O-CA 3.18Å; G45-A302 WeakPolarHBondContact O-CB 3.41Å; G45-A302 PolarHBondContact O-N 2.95Å; G45-A302 VanDerWaalsContact O-N 3.11Å; G45-M303 PolarHBondContact O-N 3.49Å |
| 46 | A | 96.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | trans | -97.6 | 150.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V42 L43 T50 A51 M54 D299 L300 | V42-A46 PolarHBondContact O-N 2.88Å; V42-A46 VanDerWaalsContact O-N 3.16Å; L43-A46 HydrophobicContact CD1-CB 4.4Å; L43-A46 PolarHBondContact O-N 3.26Å; A46-T50 HydrophobicContact CB-CG2 4Å; A46-A51 HydrophobicContact CB-CB 4.15Å; A46-M54 HydrophobicContact CB-SD 4.1Å; A46-D299 CarbonylContact C-O 3.54Å; A46-D299 VanDerWaalsContact CA-O 3.25Å; A46-D299 WeakPolarHBondContact CA-O 3.37Å; A46-L300 HydrophobicContact CB-CD2 3.91Å | ||
| 47 | K | 96.2 | Very high | 96.8 | Very high | 105 Ų | 105 | 26.5 Ų | 26.5 | 46% | 0.457 | 15% | 0.151 | S | C | . | . | trans | -134.9 | 179.8 | 171.7 | -65.2 | -169.4 | -166.9 | 169.8 | 0 | 111.1 | T50 A51 D299 S301 A302 | K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 3.37Å; K47-A51 PolarHBondContact O-N 2.71Å; K47-A51 VanDerWaalsContact O-N 3.08Å; K47-D299 VanDerWaalsContact CB-OD2 3.31Å; K47-D299 WeakPolarHBondContact CB-OD2 3.48Å; K47-D299 PolarHBondContact N-O 3.48Å; K47-S301 WeakPolarHBondContact CD-OG 3.41Å; K47-A302 HydrophobicContact CG-CB 4.25Å | ||
| 48 | G | 96 | Very high | 96.8 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 49% | 0.485 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | 53.3 | -140.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T50 A51 T52 | G48-T50 VanDerWaalsContact C-N 3.26Å; G48-T50 PolarHBondContact O-N 3.15Å; G48-A51 PolarHBondContact O-N 2.86Å; G48-T52 PolarHBondContact O-N 3.27Å; G48-T52 PolarHBondContact O-OG1 2.89Å |
| 49 | N | 97.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 28.5 Ų | 28.5 | 49% | 0.492 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.1 | -29.7 | -177.8 | -164.4 | 53 | 0 | 0 | 0 | 112.9 | T52 Q53 D291 | N49-T52 PolarHBondContact O-N 3.01Å; N49-Q53 PolarHBondContact ND2-NE2 2.79Å; N49-Q53 VanDerWaalsContact ND2-NE2 3.17Å; N49-Q53 WeakPolarHBondContact O-CB 3.37Å; N49-Q53 WeakPolarHBondContact O-CG 3.23Å; N49-Q53 PolarHBondContact O-N 3.46Å; N49-D291 PolarHBondContact ND2-OD2 3.29Å |
| 50 | T | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | A46 K47 G48 T52 Q53 M54 D291 A292 D299 L300 | A46-T50 HydrophobicContact CB-CG2 4Å; K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 3.37Å; G48-T50 VanDerWaalsContact C-N 3.26Å; G48-T50 PolarHBondContact O-N 3.15Å; T50-T52 PolarHBondContact O-N 3.07Å; T50-Q53 PolarHBondContact O-N 2.8Å; T50-M54 HydrophobicContact CG2-SD 4.23Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.25Å; T50-M54 PolarHBondContact O-N 3.22Å; T50-M54 VanDerWaalsContact O-N 3.14Å; T50-D291 WeakPolarHBondContact OG1-CB 3.2Å; T50-A292 HydrophobicContact CG2-CB 3.88Å; T50-D299 PolarHBondContact OG1-N 3.43Å; T50-L300 HydrophobicContact CG2-CD2 4.4Å |
| 51 | A | 97.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L43 A46 K47 G48 M54 A55 | L43-A51 HydrophobicContact CD1-CB 3.7Å; A46-A51 HydrophobicContact CB-CB 4.15Å; K47-A51 PolarHBondContact O-N 2.71Å; K47-A51 VanDerWaalsContact O-N 3.08Å; G48-A51 PolarHBondContact O-N 2.86Å; A51-M54 PolarHBondContact O-N 3.46Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.41Å |
| 52 | T | 97.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 37 Ų | 37 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | G48 N49 T50 M54 A55 Q56 | G48-T52 PolarHBondContact O-N 3.27Å; G48-T52 PolarHBondContact O-OG1 2.89Å; N49-T52 PolarHBondContact O-N 3.01Å; T50-T52 PolarHBondContact O-N 3.07Å; T52-M54 VanDerWaalsContact C-N 3.32Å; T52-M54 PolarHBondContact O-N 3.16Å; T52-A55 PolarHBondContact O-N 2.93Å; T52-Q56 HydrophobicContact CG2-CG 4.4Å; T52-Q56 WeakPolarHBondContact O-CB 3.42Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.43Å; T52-Q56 PolarHBondContact O-N 3.32Å |
| 53 | Q | 98.2 | Very high | 95 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 177.3 | -76.1 | 176 | -2.6 | 0 | 0 | 111.6 | N49 T50 A57 G288 D291 | N49-Q53 PolarHBondContact ND2-NE2 2.79Å; N49-Q53 VanDerWaalsContact ND2-NE2 3.17Å; N49-Q53 WeakPolarHBondContact O-CB 3.37Å; N49-Q53 WeakPolarHBondContact O-CG 3.23Å; N49-Q53 PolarHBondContact O-N 3.46Å; T50-Q53 PolarHBondContact O-N 2.8Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.24Å; Q53-A57 PolarHBondContact O-N 3.07Å; Q53-G288 WeakPolarHBondContact CB-O 3.34Å; Q53-G288 WeakPolarHBondContact CG-O 3.42Å; Q53-D291 PolarHBondContact NE2-OD1 3.1Å; Q53-D291 PolarHBondContact NE2-OD2 3.47Å |
| 54 | M | 98 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | -179.9 | -69.1 | 179.2 | 77.8 | 0 | 0 | 112.3 | L39 V42 L43 A46 T50 A51 T52 Q56 A57 L58 I289 | L39-M54 HydrophobicContact CB-CE 4.29Å; L39-M54 HydrophobicContact CD2-CE 4.35Å; L39-M54 WeakPolarHBondContact O-CE 3.42Å; V42-M54 HydrophobicContact CB-CE 3.68Å; V42-M54 HydrophobicContact CG1-CE 3.69Å; V42-M54 HydrophobicContact CG1-SD 4.14Å; L43-M54 HydrophobicContact CB-CE 4.13Å; L43-M54 HydrophobicContact CD1-CB 4.14Å; A46-M54 HydrophobicContact CB-SD 4.1Å; T50-M54 HydrophobicContact CG2-SD 4.23Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.25Å; T50-M54 PolarHBondContact O-N 3.22Å; T50-M54 VanDerWaalsContact O-N 3.14Å; A51-M54 PolarHBondContact O-N 3.46Å; T52-M54 VanDerWaalsContact C-N 3.32Å; T52-M54 PolarHBondContact O-N 3.16Å; M54-Q56 VanDerWaalsContact C-N 3.35Å; M54-Q56 PolarHBondContact O-N 3.25Å; M54-A57 PolarHBondContact O-N 3.29Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 VanDerWaalsContact O-CG 3.28Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.98Å; M54-I289 HydrophobicContact CG-CD1 4.29Å; M54-I289 HydrophobicContact CG-CG2 3.86Å |
| 55 | A | 96.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A51 T52 L58 S59 L60 T62 | A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.41Å; T52-A55 PolarHBondContact O-N 2.93Å; A55-L58 CarbonylContact O-C 3.51Å; A55-L58 PolarHBondContact O-N 3.38Å; A55-S59 PolarHBondContact O-N 3.03Å; A55-L60 PolarHBondContact O-N 3.21Å; A55-T62 HydrophobicContact CB-CG2 3.59Å |
| 56 | Q | 96.6 | Very high | 93.9 | Very high | 132 Ų | 132 | 51.3 Ų | 51.3 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 177.6 | -73.4 | 176 | -11.9 | 0 | 0 | 112.7 | T52 M54 L58 S59 | T52-Q56 HydrophobicContact CG2-CG 4.4Å; T52-Q56 WeakPolarHBondContact O-CB 3.42Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.43Å; T52-Q56 PolarHBondContact O-N 3.32Å; M54-Q56 VanDerWaalsContact C-N 3.35Å; M54-Q56 PolarHBondContact O-N 3.25Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.87Å; Q56-S59 PolarHBondContact O-N 3.22Å; Q56-S59 VanDerWaalsContact O-N 3.13Å |
| 57 | A | 96.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F11 Q53 M54 S59 L287 I289 | F11-A57 WeakPolarHBondContact CD2-O 3.28Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.24Å; Q53-A57 PolarHBondContact O-N 3.07Å; M54-A57 PolarHBondContact O-N 3.29Å; A57-S59 PolarHBondContact O-N 2.89Å; A57-L287 HydrophobicContact CB-CB 4.29Å; A57-L287 WeakPolarHBondContact CB-O 3.38Å; A57-I289 HydrophobicContact CB-CD1 3.71Å; A57-I289 HydrophobicContact CB-CG1 3.42Å; A57-I289 VanDerWaalsContact CB-CG1 3.42Å |
| 58 | L | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | 177.4 | -63.8 | 174.8 | 0 | 0 | 0 | 113.9 | F11 L39 M54 A55 Q56 L60 | F11-L58 HydrophobicContact CD1-CD2 4.38Å; F11-L58 HydrophobicContact CD2-CD2 3.85Å; F11-L58 HydrophobicContact CE1-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 3.76Å; F11-L58 HydrophobicContact CG-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4Å; L39-L58 HydrophobicContact CB-CD1 3.83Å; L39-L58 HydrophobicContact CB-CD2 4.28Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 VanDerWaalsContact O-CG 3.28Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.98Å; A55-L58 CarbonylContact O-C 3.51Å; A55-L58 PolarHBondContact O-N 3.38Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.87Å; L58-L60 HydrophobicContact CB-CD1 3.69Å; L58-L60 HydrophobicContact CB-CG 3.62Å; L58-L60 HydrophobicContact CD1-CD1 3.65Å; L58-L60 HydrophobicContact CG-CD1 4.34Å; L58-L60 PolarHBondContact O-N 3.11Å |
| 59 | S | 94.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.8 | -175.7 | -48 | 0 | 0 | 0 | 0 | 113.3 | A7 A55 Q56 A57 | A7-S59 WeakPolarHBondContact CB-O 3.2Å; A55-S59 PolarHBondContact O-N 3.03Å; Q56-S59 PolarHBondContact O-N 3.22Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; A57-S59 PolarHBondContact O-N 2.89Å |
| 60 | L | 94.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | trans | -85.4 | 135.1 | -178 | -65.7 | 173.4 | 0 | 0 | 0 | 111 | L4 A7 L43 A55 L58 I66 F70 | L4-L60 HydrophobicContact CD1-CD2 3.99Å; A7-L60 HydrophobicContact CB-CD2 4.04Å; L43-L60 HydrophobicContact CD2-CD1 4.11Å; A55-L60 PolarHBondContact O-N 3.21Å; L58-L60 HydrophobicContact CB-CD1 3.69Å; L58-L60 HydrophobicContact CB-CG 3.62Å; L58-L60 HydrophobicContact CD1-CD1 3.65Å; L58-L60 HydrophobicContact CG-CD1 4.34Å; L58-L60 PolarHBondContact O-N 3.11Å; L60-I66 HydrophobicContact CB-CG2 4.34Å; L60-I66 HydrophobicContact CD1-CD1 3.97Å; L60-I66 HydrophobicContact CD2-CG2 4.44Å; L60-F70 HydrophobicContact CD1-CE2 4.21Å; L60-F70 HydrophobicContact CD2-CE2 4.06Å; L60-F70 HydrophobicContact CD2-CZ 4.28Å | ||
| 61 | N | 89.4 | Confident | 93.4 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | trans | -85 | 109.6 | 168.1 | -175.2 | 1 | 0 | 0 | 0 | 109.8 | E63 E64 I66 | N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.14Å; N61-E64 PolarHBondContact O-N 3.24Å; N61-I66 WeakPolarHBondContact O-CG2 3.46Å | ||
| 62 | T | 82.9 | Confident | 93.3 | Very high | 98 Ų | 98 | 53 Ų | 53 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7 | -179.2 | 54 | 0 | 0 | 0 | 0 | 114.2 | A55 E64 | A55-T62 HydrophobicContact CB-CG2 3.59Å; T62-E64 VanDerWaalsContact C-N 3.26Å |
| 63 | E | 82.9 | Confident | 93.1 | Very high | 178 Ų | 178 | 50 Ų | 50 | 83% | 0.832 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -20.4 | 171.5 | -61.4 | -178.7 | 171.1 | 0 | 0 | 112.2 | N61 | N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.14Å |
| 64 | E | 84.1 | Confident | 92.9 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -93.6 | 159.2 | 175.4 | -63.9 | -173.3 | -176.6 | 0 | 0 | 112 | T3 N61 T62 I66 | T3-E64 WeakPolarHBondContact CB-OE2 3.25Å; T3-E64 WeakPolarHBondContact CG2-OE1 3.35Å; T3-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E64 PolarHBondContact OG1-OE1 2.87Å; T3-E64 PolarHBondContact OG1-OE2 3.2Å; N61-E64 PolarHBondContact O-N 3.24Å; T62-E64 VanDerWaalsContact C-N 3.26Å; E64-I66 PolarHBondContact O-N 2.62Å |
| 65 | D | 90 | Very high | 92.6 | Very high | 72 Ų | 72 | 53 Ų | 53 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | trans | -75.1 | 75.7 | 170.2 | -170.5 | -13.7 | 0 | 0 | 0 | 110.5 | H67 R68 A69 | D65-H67 PolarHBondContact O-N 3.01Å; D65-R68 HydrophobicContact CB-CB 4.2Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 WeakPolarHBondContact OD1-CB 3.47Å; D65-R68 PolarHBondContact OD1-N 3.48Å; D65-R68 WeakPolarHBondContact OD2-CB 3.44Å; D65-R68 IonicContact OD2-CZ 2.96Å; D65-R68 VanDerWaalsContact OD2-CZ 3.29Å; D65-R68 IonicContact OD2-NE 3.91Å; D65-R68 PolarHBondContact OD2-NE 2.87Å; D65-R68 IonicContact OD2-NH2 2.95Å; D65-R68 PolarHBondContact OD2-NH2 2.97Å; D65-R68 VanDerWaalsContact OD2-NH2 3.11Å; D65-A69 PolarHBondContact O-N 3.03Å; D65-A69 VanDerWaalsContact O-N 3.12Å | ||
| 66 | I | 92.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -33.8 | -179.2 | 56.3 | 165.9 | 0 | 0 | 0 | 112.3 | L43 L60 N61 E64 A69 F70 | L43-I66 HydrophobicContact CD2-CD1 3.62Å; L60-I66 HydrophobicContact CB-CG2 4.34Å; L60-I66 HydrophobicContact CD1-CD1 3.97Å; L60-I66 HydrophobicContact CD2-CG2 4.44Å; N61-I66 WeakPolarHBondContact O-CG2 3.46Å; E64-I66 PolarHBondContact O-N 2.62Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.39Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 3.1Å |
| 67 | H | 94.5 | Very high | 92.2 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.1 | -42.6 | -176.7 | -60.3 | -62 | 0 | 0 | 0 | 110.8 | L44 D65 A69 F70 Q71 F111 Y112 | L44-H67 HydrophobicContact CD2-CB 4.45Å; L44-H67 VanDerWaalsContact CD2-CE1 3.45Å; L44-H67 WeakPolarHBondContact CD2-CE1 3.41Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.41Å; L44-H67 VanDerWaalsContact CG-CE1 3.49Å; L44-H67 WeakPolarHBondContact CG-CE1 3.42Å; D65-H67 PolarHBondContact O-N 3.01Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.84Å; H67-F70 PolarHBondContact O-N 3.17Å; H67-Q71 PolarHBondContact O-N 3.1Å; H67-F111 HydrophobicContact CB-CB 4.17Å; H67-F111 HydrophobicContact CB-CD1 3.99Å; H67-F111 HydrophobicContact CB-CD2 3.96Å; H67-F111 HydrophobicContact CB-CE1 4.37Å; H67-F111 HydrophobicContact CB-CE2 4.34Å; H67-F111 HydrophobicContact CB-CG 3.78Å; H67-Y112 AromaticContact ND1-CE2 3.76Å; H67-Y112 AromaticContact ND1-CZ 3.67Å; H67-Y112 PolarHBondContact ND1-OH 3.38Å |
| 68 | R | 94.7 | Very high | 91.8 | Very high | 148 Ų | 148 | 51.6 Ų | 51.6 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.6 | -32.9 | 171.9 | -168.2 | -178 | -52.8 | -152.9 | -3.3 | 112.7 | D65 Q71 S72 | D65-R68 HydrophobicContact CB-CB 4.2Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 WeakPolarHBondContact OD1-CB 3.47Å; D65-R68 PolarHBondContact OD1-N 3.48Å; D65-R68 WeakPolarHBondContact OD2-CB 3.44Å; D65-R68 IonicContact OD2-CZ 2.96Å; D65-R68 VanDerWaalsContact OD2-CZ 3.29Å; D65-R68 IonicContact OD2-NE 3.91Å; D65-R68 PolarHBondContact OD2-NE 2.87Å; D65-R68 IonicContact OD2-NH2 2.95Å; D65-R68 PolarHBondContact OD2-NH2 2.97Å; D65-R68 VanDerWaalsContact OD2-NH2 3.11Å; R68-Q71 WeakPolarHBondContact O-CB 3.38Å; R68-Q71 PolarHBondContact O-N 2.93Å; R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 3.21Å |
| 69 | A | 94.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L4 D65 I66 H67 S72 L73 | L4-A69 HydrophobicContact CB-CB 4.06Å; L4-A69 VanDerWaalsContact CD2-C 3.4Å; L4-A69 HydrophobicContact CD2-CB 3.79Å; L4-A69 WeakPolarHBondContact CD2-O 3.41Å; L4-A69 HydrophobicContact CG-CB 4.46Å; D65-A69 PolarHBondContact O-N 3.03Å; D65-A69 VanDerWaalsContact O-N 3.12Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.39Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.84Å; A69-S72 PolarHBondContact O-N 3.18Å; A69-L73 PolarHBondContact O-N 3.4Å |
| 70 | F | 95 | Very high | 90.9 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.8 | -83.6 | -68.7 | 0 | 0 | 0 | 112 | L4 A40 L60 I66 H67 S72 L73 L74 Y112 | L4-F70 HydrophobicContact CD1-CD1 4.19Å; L4-F70 HydrophobicContact CD1-CD2 4.18Å; L4-F70 HydrophobicContact CD1-CE1 3.75Å; L4-F70 HydrophobicContact CD1-CE2 3.72Å; L4-F70 HydrophobicContact CD1-CG 4.39Å; L4-F70 HydrophobicContact CD1-CZ 3.5Å; L4-F70 HydrophobicContact CD2-CD1 3.98Å; L4-F70 HydrophobicContact CD2-CE1 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.11Å; A40-F70 HydrophobicContact CB-CD2 3.76Å; A40-F70 HydrophobicContact CB-CE2 3.4Å; A40-F70 VanDerWaalsContact CB-CE2 3.4Å; A40-F70 HydrophobicContact CB-CZ 3.95Å; L60-F70 HydrophobicContact CD1-CE2 4.21Å; L60-F70 HydrophobicContact CD2-CE2 4.06Å; L60-F70 HydrophobicContact CD2-CZ 4.28Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 3.1Å; H67-F70 PolarHBondContact O-N 3.17Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.38Å; F70-L73 PolarHBondContact O-N 3.01Å; F70-L74 WeakPolarHBondContact O-CB 3.38Å; F70-L74 VanDerWaalsContact O-CG 3.29Å; F70-L74 WeakPolarHBondContact O-CG 3.33Å; F70-L74 PolarHBondContact O-N 2.78Å; F70-Y112 HydrophobicContact CB-CD1 4.28Å; F70-Y112 HydrophobicContact CB-CE1 3.59Å; F70-Y112 HydrophobicContact CD1-CE1 4.47Å; F70-Y112 HydrophobicContact CD2-CE1 4.07Å; F70-Y112 AromaticContact CG-CE1 3.82Å; F70-Y112 HydrophobicContact CG-CE1 3.82Å |
| 71 | Q | 95.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 59.5 Ų | 59.5 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 175.2 | -171.9 | -170.9 | 29.5 | 0 | 0 | 111.7 | H67 R68 L74 T75 Q110 F111 | H67-Q71 PolarHBondContact O-N 3.1Å; R68-Q71 WeakPolarHBondContact O-CB 3.38Å; R68-Q71 PolarHBondContact O-N 2.93Å; Q71-L74 PolarHBondContact O-N 3.24Å; Q71-T75 VanDerWaalsContact O-CB 3.32Å; Q71-T75 WeakPolarHBondContact O-CB 3.36Å; Q71-T75 PolarHBondContact O-N 3.45Å; Q71-T75 PolarHBondContact O-OG1 3.29Å; Q71-Q110 PolarHBondContact NE2-O 3.26Å; Q71-F111 WeakPolarHBondContact CA-O 3.41Å; Q71-F111 HydrophobicContact CB-CD1 4.3Å; Q71-F111 WeakPolarHBondContact CB-O 3.25Å; Q71-F111 PolarHBondContact N-O 3.18Å |
| 72 | S | 94.7 | Very high | 90.1 | Very high | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | R68 A69 F70 T75 E76 | R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 3.21Å; A69-S72 PolarHBondContact O-N 3.18Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.38Å; S72-T75 PolarHBondContact O-N 3.18Å; S72-E76 PolarHBondContact O-N 3.04Å |
| 73 | L | 93.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 178.1 | 177.4 | 62.1 | 0 | 0 | 0 | 111.8 | L4 V33 A69 F70 T75 E76 V77 A364 | L4-L73 HydrophobicContact CD2-CB 4.12Å; L4-L73 HydrophobicContact CD2-CD2 3.93Å; V33-L73 HydrophobicContact CG1-CD2 3.77Å; V33-L73 HydrophobicContact CG1-CG 4.47Å; V33-L73 HydrophobicContact CG2-CD2 4.37Å; A69-L73 PolarHBondContact O-N 3.4Å; F70-L73 PolarHBondContact O-N 3.01Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 3.07Å; L73-E76 PolarHBondContact O-N 3.35Å; L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.3Å; L73-A364 HydrophobicContact CD1-CB 3.84Å |
| 74 | L | 93.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 180 | -69.2 | 173.6 | 0 | 0 | 0 | 111.6 | F70 Q71 N78 Y112 | F70-L74 WeakPolarHBondContact O-CB 3.38Å; F70-L74 VanDerWaalsContact O-CG 3.29Å; F70-L74 WeakPolarHBondContact O-CG 3.33Å; F70-L74 PolarHBondContact O-N 2.78Å; Q71-L74 PolarHBondContact O-N 3.24Å; L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.14Å; L74-Y112 HydrophobicContact CD1-CD1 3.95Å |
| 75 | T | 93 | Very high | 90.6 | Very high | 73 Ų | 73 | 47 Ų | 47 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111.4 | Q71 S72 L73 K79 H113 | Q71-T75 VanDerWaalsContact O-CB 3.32Å; Q71-T75 WeakPolarHBondContact O-CB 3.36Å; Q71-T75 PolarHBondContact O-N 3.45Å; Q71-T75 PolarHBondContact O-OG1 3.29Å; S72-T75 PolarHBondContact O-N 3.18Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 3.07Å; T75-K79 PolarHBondContact O-N 2.89Å; T75-K79 VanDerWaalsContact O-N 3.11Å; T75-H113 PolarHBondContact OG1-CE1 3.1Å |
| 76 | E | 92 | Very high | 90.7 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 179.2 | -179 | 65.4 | -159 | 0 | 0 | 111.7 | S72 L73 K79 H361 R363 | S72-E76 PolarHBondContact O-N 3.04Å; L73-E76 PolarHBondContact O-N 3.35Å; E76-K79 VanDerWaalsContact O-CD 3.31Å; E76-K79 WeakPolarHBondContact O-CD 3.3Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.29Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.83Å; E76-H361 IonicContact OE1-CE1 3.38Å; E76-R363 VanDerWaalsContact CD-NH1 3.27Å; E76-R363 WeakPolarHBondContact OE1-CD 3.45Å; E76-R363 IonicContact OE1-CZ 3.02Å; E76-R363 IonicContact OE1-NH1 3.92Å; E76-R363 PolarHBondContact OE1-NH1 3.38Å; E76-R363 IonicContact OE2-CZ 3.59Å; E76-R363 IonicContact OE2-NH1 2.98Å; E76-R363 PolarHBondContact OE2-NH1 3.08Å |
| 77 | V | 91.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76 | -27.4 | -175.8 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | L73 Y84 L86 L368 | L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.3Å; V77-Y84 PolarHBondContact O-OH 3.34Å; V77-Y84 VanDerWaalsContact O-OH 3.06Å; V77-L86 HydrophobicContact CG1-CD2 3.28Å; V77-L368 HydrophobicContact CG1-CD1 3.97Å; V77-L368 HydrophobicContact CG1-CD2 3.99Å; V77-L368 HydrophobicContact CG2-CD2 3.93Å |
| 78 | N | 89 | Confident | 90.4 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 15.7 | 176.8 | -61.7 | -80.6 | 0 | 0 | 0 | 113.2 | L74 | L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.14Å |
| 79 | K | 88.3 | Confident | 90.2 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | trans | -60 | 146.5 | 180 | 71.5 | -171 | 173 | -175.6 | 0 | 111.2 | T75 E76 T82 E225 | T75-K79 PolarHBondContact O-N 2.89Å; T75-K79 VanDerWaalsContact O-N 3.11Å; E76-K79 VanDerWaalsContact O-CD 3.31Å; E76-K79 WeakPolarHBondContact O-CD 3.3Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.29Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.83Å; K79-T82 HydrophobicContact CD-CG2 4.39Å; K79-T82 HydrophobicContact CG-CG2 3.64Å; K79-T82 WeakPolarHBondContact O-CG2 3.33Å; K79-E225 WeakPolarHBondContact CE-OE1 3.41Å; K79-E225 IonicContact NZ-OE1 2.77Å; K79-E225 PolarHBondContact NZ-OE1 2.86Å | ||
| 80 | A | 83.5 | Confident | 90.2 | Very high | 104 Ų | 104 | 41.2 Ų | 41.2 | 86% | 0.86 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 149.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 81 | G | 82.8 | Confident | 90.3 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 10.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 82 | T | 84.3 | Confident | 90.4 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | trans | -62.7 | 152.8 | 167.5 | 54.9 | 0 | 0 | 0 | 0 | 110.7 | K79 Y84 | K79-T82 HydrophobicContact CD-CG2 4.39Å; K79-T82 HydrophobicContact CG-CG2 3.64Å; K79-T82 WeakPolarHBondContact O-CG2 3.33Å; T82-Y84 VanDerWaalsContact C-N 3.29Å; T82-Y84 HydrophobicContact CG2-CD1 4.36Å; T82-Y84 HydrophobicContact CG2-CE1 3.62Å; T82-Y84 HydrophobicContact CG2-CE2 4.22Å; T82-Y84 PolarHBondContact OG1-O 3.29Å | ||
| 83 | Q | 85.1 | Confident | 90.6 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -93.1 | 11.9 | 176.7 | -66.8 | -66.8 | -34.9 | 0 | 0 | 113 | A222 R223 T327 | Q83-A222 HydrophobicContact CB-CB 3.5Å; Q83-A222 VanDerWaalsContact CB-CB 3.5Å; Q83-A222 HydrophobicContact CG-CB 4.3Å; Q83-R223 HydrophobicContact CG-CG 3.97Å; Q83-T327 HydrophobicContact CB-CG2 4.22Å; Q83-T327 HydrophobicContact CG-CG2 4.4Å |
| 84 | Y | 88 | Confident | 90.7 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -121.7 | 149.6 | 174.9 | 58.8 | -96.2 | 0 | 0 | 0 | 110.4 | V77 T82 L86 F167 E225 L226 | V77-Y84 PolarHBondContact O-OH 3.34Å; V77-Y84 VanDerWaalsContact O-OH 3.06Å; T82-Y84 VanDerWaalsContact C-N 3.29Å; T82-Y84 HydrophobicContact CG2-CD1 4.36Å; T82-Y84 HydrophobicContact CG2-CE1 3.62Å; T82-Y84 HydrophobicContact CG2-CE2 4.22Å; T82-Y84 PolarHBondContact OG1-O 3.29Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.82Å; Y84-L86 HydrophobicContact CE2-CD2 4.27Å; Y84-F167 HydrophobicContact CD2-CE2 4.06Å; Y84-F167 HydrophobicContact CG-CE2 4.16Å; Y84-E225 HydrophobicContact CE1-CB 4.06Å; Y84-L226 HydrophobicContact CD1-CD1 3.61Å; Y84-L226 HydrophobicContact CD1-CG 3.83Å; Y84-L226 HydrophobicContact CD2-CD1 3.86Å; Y84-L226 HydrophobicContact CE1-CD1 3.8Å; Y84-L226 HydrophobicContact CE1-CD2 4.22Å; Y84-L226 HydrophobicContact CE1-CG 3.73Å; Y84-L226 HydrophobicContact CE2-CD1 4.04Å; Y84-L226 HydrophobicContact CG-CD1 3.63Å; Y84-L226 HydrophobicContact CG-CG 4.37Å |
| 85 | L | 87.3 | Confident | 90.9 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.8 | 173.9 | -177.3 | 62.1 | 0 | 0 | 0 | 108.9 | R87 Y166 F167 K168 | L85-R87 HydrophobicContact CD1-CG 4.08Å; L85-R87 HydrophobicContact CG-CG 4.41Å; L85-Y166 HydrophobicContact CD2-CD1 4.37Å; L85-Y166 HydrophobicContact CD2-CE1 3.45Å; L85-Y166 VanDerWaalsContact CD2-CE1 3.45Å; L85-Y166 HydrophobicContact CG-CE1 4.11Å; L85-F167 WeakPolarHBondContact O-CA 3.48Å; L85-K168 HydrophobicContact CB-CB 4.25Å; L85-K168 PolarHBondContact N-O 3.37Å; L85-K168 PolarHBondContact O-N 2.84Å |
| 86 | L | 92.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.8 | 169.7 | -171.3 | 68.5 | 0 | 0 | 0 | 109.2 | V77 Y84 I165 Y166 F167 F369 | V77-L86 HydrophobicContact CG1-CD2 3.28Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.82Å; Y84-L86 HydrophobicContact CE2-CD2 4.27Å; L86-I165 HydrophobicContact CD1-CD1 4Å; L86-I165 HydrophobicContact CD1-CG1 4.05Å; L86-Y166 WeakPolarHBondContact CA-O 3.45Å; L86-F167 HydrophobicContact CD1-CB 4.15Å; L86-F167 HydrophobicContact CD1-CD2 4.07Å; L86-F369 HydrophobicContact CD1-CE2 3.9Å; L86-F369 HydrophobicContact CD1-CZ 3.73Å |
| 87 | R | 90.3 | Very high | 91 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 116.1 | 179.6 | -66.6 | -67.9 | 179.6 | -96.2 | 1.9 | 108.9 | L85 E141 I165 Y166 | L85-R87 HydrophobicContact CD1-CG 4.08Å; L85-R87 HydrophobicContact CG-CG 4.41Å; R87-E141 HydrophobicContact CG-CG 4.03Å; R87-E141 IonicContact CZ-OE1 3.21Å; R87-E141 IonicContact NE-OE1 2.71Å; R87-E141 PolarHBondContact NE-OE1 2.85Å; R87-E141 IonicContact NH2-OE1 2.79Å; R87-I165 CarbonylContact O-C 3.6Å; R87-I165 WeakPolarHBondContact O-CA 3.49Å; R87-Y166 HydrophobicContact CB-CD1 4.25Å; R87-Y166 HydrophobicContact CG-CD1 4.22Å; R87-Y166 PolarHBondContact N-O 2.91Å; R87-Y166 PolarHBondContact O-N 2.92Å |
| 88 | T | 91.2 | Very high | 91.1 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128 | -178.5 | -51.1 | 0 | 0 | 0 | 0 | 109.7 | N90 | T88-N90 HydrophobicContact CG2-CB 4.22Å |
| 89 | A | 90.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 97.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108 | W135 K139 T140 N163 A164 | A89-W135 HydrophobicContact CB-CH2 3.85Å; A89-W135 HydrophobicContact CB-CZ3 4Å; A89-K139 HydrophobicContact CB-CB 3.6Å; A89-K139 HydrophobicContact CB-CG 4.27Å; A89-T140 HydrophobicContact CB-CG2 4.34Å; A89-N163 CarbonylContact O-C 3.56Å; A89-N163 WeakPolarHBondContact O-CA 3.5Å; A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 2.97Å; A89-A164 PolarHBondContact O-N 3.03Å |
| 90 | N | 94.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | 179.2 | -169.9 | 25.5 | 0 | 0 | 0 | 109.2 | A38 M41 T88 A114 V162 N163 | A38-N90 WeakPolarHBondContact CB-OD1 3.4Å; M41-N90 VanDerWaalsContact CE-CG 3.5Å; M41-N90 WeakPolarHBondContact CE-ND2 3.43Å; M41-N90 WeakPolarHBondContact CE-OD1 3.28Å; M41-N90 PolarHBondContact SD-ND2 3.35Å; M41-N90 VanDerWaalsContact SD-ND2 3.39Å; T88-N90 HydrophobicContact CG2-CB 4.22Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; N90-V162 WeakPolarHBondContact CA-O 3.21Å; N90-V162 PolarHBondContact OD1-O 2.77Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å |
| 91 | R | 96.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 144.6 | -176.4 | 179.2 | 166.1 | -75.1 | -169.3 | -5.6 | 111.7 | F93 E115 W135 V162 | R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.19Å; R91-F93 HydrophobicContact CG-CD1 4.47Å; R91-F93 HydrophobicContact CG-CD2 4.16Å; R91-F93 HydrophobicContact CG-CE1 4.11Å; R91-F93 HydrophobicContact CG-CE2 3.74Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; R91-E115 WeakPolarHBondContact CG-O 3.35Å; R91-E115 IonicContact CZ-OE1 3.52Å; R91-E115 IonicContact NH2-OE1 2.91Å; R91-E115 PolarHBondContact NH2-OE1 3.42Å; R91-E115 IonicContact NH2-OE2 3.96Å; R91-W135 HydrophobicContact CB-CH2 3.26Å; R91-W135 HydrophobicContact CB-CZ2 3.77Å; R91-W135 HydrophobicContact CB-CZ3 3.83Å; R91-W135 HydrophobicContact CG-CH2 4.25Å; R91-W135 HydrophobicContact CG-CZ2 4.41Å; R91-V162 PolarHBondContact N-O 3.42Å; R91-V162 PolarHBondContact O-N 3.31Å |
| 92 | L | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.2 | 165.5 | -76.7 | 165.3 | 0 | 0 | 0 | 109.6 | M41 V42 F104 E115 L116 K117 L159 L161 M303 | M41-L92 HydrophobicContact CE-CG 4.37Å; V42-L92 HydrophobicContact CG2-CD2 3.89Å; L92-F104 HydrophobicContact CD1-CE1 3.95Å; L92-F104 HydrophobicContact CD1-CZ 3.63Å; L92-E115 PolarHBondContact N-O 3.23Å; L92-L116 HydrophobicContact CB-CB 4.18Å; L92-L116 HydrophobicContact CB-CD1 4.16Å; L92-L116 HydrophobicContact CB-CG 4.09Å; L92-L116 CarbonylContact O-C 3.58Å; L92-L116 WeakPolarHBondContact O-CA 3.44Å; L92-K117 PolarHBondContact O-N 2.83Å; L92-L159 HydrophobicContact CD2-CD1 4.1Å; L92-L159 HydrophobicContact CD2-CD2 4.39Å; L92-L159 HydrophobicContact CD2-CG 4.21Å; L92-L161 HydrophobicContact CD2-CB 3.96Å; L92-L161 HydrophobicContact CD2-CD1 3.64Å; L92-L161 HydrophobicContact CD2-CG 4.37Å; L92-L161 HydrophobicContact CG-CD1 3.98Å; L92-M303 HydrophobicContact CD1-CE 4.4Å |
| 93 | F | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.6 | 170.5 | -62.3 | -88.1 | 0 | 0 | 0 | 109.2 | R91 K117 L119 F121 I132 W135 L159 V160 V162 | R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.19Å; R91-F93 HydrophobicContact CG-CD1 4.47Å; R91-F93 HydrophobicContact CG-CD2 4.16Å; R91-F93 HydrophobicContact CG-CE1 4.11Å; R91-F93 HydrophobicContact CG-CE2 3.74Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; F93-K117 CarbonylContact C-O 3.57Å; F93-K117 VanDerWaalsContact CA-O 3.24Å; F93-K117 WeakPolarHBondContact CA-O 3.42Å; F93-K117 HydrophobicContact CD1-CB 3.89Å; F93-K117 HydrophobicContact CD1-CG 4.35Å; F93-K117 HydrophobicContact CE1-CB 4.08Å; F93-K117 HydrophobicContact CE1-CD 4.2Å; F93-K117 HydrophobicContact CE1-CG 4.44Å; F93-L119 HydrophobicContact CB-CD1 4.29Å; F93-L119 HydrophobicContact CD1-CD1 3.43Å; F93-L119 VanDerWaalsContact CD1-CD1 3.43Å; F93-L119 HydrophobicContact CD1-CG 3.99Å; F93-L119 HydrophobicContact CE1-CD1 4.02Å; F93-L119 HydrophobicContact CG-CD1 4.15Å; F93-F121 HydrophobicContact CB-CZ 3.79Å; F93-I132 HydrophobicContact CB-CD1 4.22Å; F93-I132 HydrophobicContact CD1-CD1 4.29Å; F93-I132 HydrophobicContact CD1-CG1 3.93Å; F93-I132 HydrophobicContact CD2-CD1 4.02Å; F93-I132 HydrophobicContact CD2-CG1 3.99Å; F93-I132 HydrophobicContact CE1-CG1 3.84Å; F93-I132 HydrophobicContact CE2-CD1 4.42Å; F93-I132 HydrophobicContact CE2-CG1 3.92Å; F93-I132 HydrophobicContact CE2-CG2 4.07Å; F93-I132 HydrophobicContact CG-CD1 3.93Å; F93-I132 HydrophobicContact CG-CG1 3.98Å; F93-I132 HydrophobicContact CZ-CB 4.47Å; F93-I132 HydrophobicContact CZ-CG1 3.82Å; F93-I132 HydrophobicContact CZ-CG2 4.36Å; F93-W135 HydrophobicContact CE2-CE3 4.08Å; F93-W135 AromaticContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CZ-CD2 4.11Å; F93-W135 AromaticContact CZ-CE3 3.63Å; F93-W135 HydrophobicContact CZ-CE3 3.63Å; F93-W135 AromaticContact CZ-CZ3 3.93Å; F93-W135 HydrophobicContact CZ-CZ3 3.93Å; F93-L159 CarbonylContact O-C 3.58Å; F93-L159 WeakPolarHBondContact O-CA 3.28Å; F93-V160 HydrophobicContact CB-CB 4.35Å; F93-V160 PolarHBondContact N-O 2.63Å; F93-V160 PolarHBondContact O-N 2.93Å; F93-V162 HydrophobicContact CD2-CB 4.18Å; F93-V162 HydrophobicContact CD2-CG2 3.78Å; F93-V162 HydrophobicContact CE2-CB 3.87Å; F93-V162 HydrophobicContact CE2-CG1 4.42Å; F93-V162 HydrophobicContact CE2-CG2 3.75Å |
| 94 | G | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 150.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | K96 F100 K117 E118 L119 R158 | G94-K96 PolarHBondContact O-N 2.74Å; G94-F100 VanDerWaalsContact CA-CZ 3.5Å; G94-K117 PolarHBondContact N-O 3.5Å; G94-E118 CarbonylContact O-C 3.6Å; G94-E118 VanDerWaalsContact O-CA 3.31Å; G94-E118 WeakPolarHBondContact O-CA 3.44Å; G94-L119 PolarHBondContact O-N 3.3Å; G94-R158 CarbonylContact C-O 2.99Å; G94-R158 WeakPolarHBondContact CA-O 3.32Å |
| 95 | E | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128.5 | 169.7 | 173.7 | 58.1 | -137.3 | 0 | 0 | 109.9 | T97 C98 F100 L119 F121 I122 R158 | E95-T97 VanDerWaalsContact CG-OG1 3.3Å; E95-T97 WeakPolarHBondContact CG-OG1 3.24Å; E95-T97 PolarHBondContact O-N 3.17Å; E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.45Å; E95-C98 PolarHBondContact O-N 3.41Å; E95-F100 WeakPolarHBondContact O-CE2 3.49Å; E95-L119 CarbonylContact C-O 3.48Å; E95-L119 WeakPolarHBondContact CA-O 3.46Å; E95-F121 HydrophobicContact CB-CD2 4.05Å; E95-F121 VanDerWaalsContact OE2-CA 3.28Å; E95-F121 WeakPolarHBondContact OE2-CA 3.21Å; E95-F121 VanDerWaalsContact OE2-CB 3.29Å; E95-F121 WeakPolarHBondContact OE2-CB 3.35Å; E95-F121 PolarHBondContact OE2-N 3.02Å; E95-I122 HydrophobicContact CG-CD1 3.7Å; E95-I122 HydrophobicContact CG-CG1 4.02Å; E95-I122 PolarHBondContact OE2-N 3.46Å; E95-R158 PolarHBondContact N-O 2.9Å |
| 96 | K | 94.7 | Very high | 95 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.1 | -175 | 68.4 | 174.4 | -171.1 | -154.8 | 0 | 114.6 | G94 C98 E118 L119 S120 | G94-K96 PolarHBondContact O-N 2.74Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-E118 HydrophobicContact CB-CB 4.13Å; K96-L119 WeakPolarHBondContact CB-O 3.35Å; K96-L119 PolarHBondContact N-O 2.97Å; K96-S120 WeakPolarHBondContact CE-OG 3.33Å; K96-S120 PolarHBondContact NZ-OG 2.87Å |
| 97 | T | 93.7 | Very high | 95.2 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -16.1 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | E95 | E95-T97 VanDerWaalsContact CG-OG1 3.3Å; E95-T97 WeakPolarHBondContact CG-OG1 3.24Å; E95-T97 PolarHBondContact O-N 3.17Å |
| 98 | C | 93.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -77.9 | 134 | 175.3 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | E95 K96 F100 | E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.45Å; E95-C98 PolarHBondContact O-N 3.41Å; K96-C98 VanDerWaalsContact C-N 3.31Å; C98-F100 HydrophobicContact CB-CD2 4.32Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.65Å; C98-F100 HydrophobicContact CB-CZ 3.65Å; C98-F100 WeakPolarHBondContact O-CD2 3.26Å; C98-F100 PolarHBondContact O-N 3.42Å |
| 99 | Q | 94.2 | Very high | 95.7 | Very high | 153 Ų | 153 | 45.1 Ų | 45.1 | 72% | 0.715 | 24% | 0.236 | S | C | * | . | trans | -85.6 | 93.8 | 178.1 | -65.7 | -176.9 | 3.7 | 0 | 0 | 110.3 | S304 | Q99-S304 WeakPolarHBondContact O-CA 3.23Å; Q99-S304 WeakPolarHBondContact O-CB 3.34Å; Q99-S304 PolarHBondContact O-OG 3.4Å | ||
| 100 | F | 96.3 | Very high | 96 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 134.1 | 177.4 | -63.9 | -73.6 | 0 | 0 | 0 | 111.9 | G94 E95 C98 L116 E118 L159 M303 L309 | G94-F100 VanDerWaalsContact CA-CZ 3.5Å; E95-F100 WeakPolarHBondContact O-CE2 3.49Å; C98-F100 HydrophobicContact CB-CD2 4.32Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.65Å; C98-F100 HydrophobicContact CB-CZ 3.65Å; C98-F100 WeakPolarHBondContact O-CD2 3.26Å; C98-F100 PolarHBondContact O-N 3.42Å; F100-L116 HydrophobicContact CB-CD2 4.19Å; F100-L116 HydrophobicContact CD1-CD1 3.55Å; F100-L116 HydrophobicContact CD1-CD2 4.2Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.57Å; F100-L116 HydrophobicContact CE1-CD1 3.75Å; F100-L116 HydrophobicContact CE2-CD2 3.95Å; F100-L116 HydrophobicContact CG-CD1 3.91Å; F100-L116 HydrophobicContact CG-CD2 3.71Å; F100-L116 HydrophobicContact CZ-CD1 4.28Å; F100-L116 HydrophobicContact CZ-CD2 4.43Å; F100-E118 HydrophobicContact CD2-CG 3.86Å; F100-E118 HydrophobicContact CE2-CG 4.11Å; F100-L159 HydrophobicContact CE1-CD1 4.32Å; F100-L159 HydrophobicContact CZ-CD1 4.46Å; F100-M303 WeakPolarHBondContact CA-O 3.39Å; F100-M303 HydrophobicContact CD1-CG 4Å; F100-M303 HydrophobicContact CD1-SD 4.43Å; F100-M303 HydrophobicContact CE1-CG 4.31Å; F100-M303 HydrophobicContact CE1-SD 4.18Å; F100-L309 HydrophobicContact CE1-CD1 4.4Å; F100-L309 HydrophobicContact CE1-CD2 3.88Å |
| 101 | L | 96.6 | Very high | 96 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | trans | -67.8 | 137.1 | -178.6 | -61.4 | 177.7 | 0 | 0 | 0 | 111.2 | T103 F104 K105 M303 | L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; L101-F104 HydrophobicContact CB-CB 4.2Å; L101-F104 WeakPolarHBondContact O-CB 3.32Å; L101-F104 PolarHBondContact O-N 3.47Å; L101-K105 PolarHBondContact O-N 3.49Å; L101-M303 PolarHBondContact N-O 2.98Å | ||
| 102 | S | 96 | Very high | 96 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | F104 K105 E106 | S102-F104 VanDerWaalsContact C-N 3.25Å; S102-F104 PolarHBondContact O-N 3.12Å; S102-K105 WeakPolarHBondContact O-CB 3.12Å; S102-K105 PolarHBondContact O-N 2.86Å; S102-K105 VanDerWaalsContact O-N 3.1Å; S102-E106 WeakPolarHBondContact O-CB 3.05Å; S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 3.26Å |
| 103 | T | 95.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 177 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | L101 S107 | L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.91Å |
| 104 | F | 96.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 174 | 174.4 | -97.3 | 0 | 0 | 0 | 111.2 | M41 L44 L92 L101 S102 E106 S107 C108 L116 M303 | M41-F104 WeakPolarHBondContact O-CE2 3.49Å; L44-F104 HydrophobicContact CB-CD2 4.19Å; L44-F104 HydrophobicContact CB-CE2 3.88Å; L92-F104 HydrophobicContact CD1-CE1 3.95Å; L92-F104 HydrophobicContact CD1-CZ 3.63Å; L101-F104 HydrophobicContact CB-CB 4.2Å; L101-F104 WeakPolarHBondContact O-CB 3.32Å; L101-F104 PolarHBondContact O-N 3.47Å; S102-F104 VanDerWaalsContact C-N 3.25Å; S102-F104 PolarHBondContact O-N 3.12Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.07Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 VanDerWaalsContact O-N 3.17Å; F104-C108 VanDerWaalsContact CE1-SG 3.51Å; F104-C108 WeakPolarHBondContact CZ-SG 3.38Å; F104-C108 PolarHBondContact O-N 3.33Å; F104-C108 PolarHBondContact O-SG 3.48Å; F104-C108 VanDerWaalsContact O-SG 3.4Å; F104-L116 HydrophobicContact CD1-CD1 4.28Å; F104-L116 HydrophobicContact CE1-CB 4.4Å; F104-L116 HydrophobicContact CE1-CD1 3.74Å; F104-M303 HydrophobicContact CD1-CG 3.7Å; F104-M303 HydrophobicContact CD2-CB 4.3Å; F104-M303 HydrophobicContact CD2-CG 4.15Å; F104-M303 HydrophobicContact CE1-CE 4.29Å; F104-M303 HydrophobicContact CE1-CG 3.55Å; F104-M303 HydrophobicContact CE1-SD 4.14Å; F104-M303 HydrophobicContact CE2-CB 4.36Å; F104-M303 HydrophobicContact CE2-CE 4.01Å; F104-M303 HydrophobicContact CE2-CG 4.01Å; F104-M303 HydrophobicContact CG-CB 4.4Å; F104-M303 HydrophobicContact CG-CG 4.01Å; F104-M303 HydrophobicContact CZ-CE 3.63Å; F104-M303 HydrophobicContact CZ-CG 3.72Å; F104-M303 HydrophobicContact CZ-SD 4.09Å |
| 105 | K | 96.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 178.5 | -66.3 | 177 | 179.9 | 172.8 | 0 | 112.1 | L101 S102 C108 L109 L116 E118 | L101-K105 PolarHBondContact O-N 3.49Å; S102-K105 WeakPolarHBondContact O-CB 3.12Å; S102-K105 PolarHBondContact O-N 2.86Å; S102-K105 VanDerWaalsContact O-N 3.1Å; K105-C108 PolarHBondContact O-N 3.14Å; K105-L109 PolarHBondContact O-N 3.21Å; K105-L109 VanDerWaalsContact O-N 3.14Å; K105-L116 HydrophobicContact CG-CB 4.33Å; K105-E118 IonicContact NZ-OE1 3.15Å; K105-E118 PolarHBondContact NZ-OE1 3.35Å |
| 106 | E | 97.2 | Very high | 95.5 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 176.4 | -72.5 | 164.8 | -160.7 | 0 | 0 | 111.4 | S102 F104 L109 Q110 | S102-E106 WeakPolarHBondContact O-CB 3.05Å; S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 3.26Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.07Å; E106-L109 PolarHBondContact O-N 3.34Å; E106-Q110 WeakPolarHBondContact O-CB 3.1Å; E106-Q110 PolarHBondContact O-N 2.9Å |
| 107 | S | 96.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 59 Ų | 59 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | T103 F104 L109 Q110 F111 | T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.91Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 VanDerWaalsContact O-N 3.17Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.3Å; S107-Q110 PolarHBondContact O-N 3.32Å; S107-F111 VanDerWaalsContact O-CD2 3.25Å; S107-F111 WeakPolarHBondContact O-CD2 3.47Å; S107-F111 PolarHBondContact O-N 3.08Å |
| 108 | C | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 173.2 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | F104 K105 Y112 H113 A114 | F104-C108 VanDerWaalsContact CE1-SG 3.51Å; F104-C108 WeakPolarHBondContact CZ-SG 3.38Å; F104-C108 PolarHBondContact O-N 3.33Å; F104-C108 PolarHBondContact O-SG 3.48Å; F104-C108 VanDerWaalsContact O-SG 3.4Å; K105-C108 PolarHBondContact O-N 3.14Å; C108-Y112 WeakPolarHBondContact O-CA 3.34Å; C108-Y112 WeakPolarHBondContact O-CB 3.34Å; C108-Y112 PolarHBondContact O-N 3.46Å; C108-H113 PolarHBondContact O-N 3.06Å; C108-A114 CarbonylContact C-O 3.6Å; C108-A114 WeakPolarHBondContact CB-O 3.39Å; C108-A114 PolarHBondContact O-N 2.86Å |
| 109 | L | 95.5 | Very high | 95.9 | Very high | 103 Ų | 103 | 59.5 Ų | 59.5 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | -180 | -176.5 | 63.6 | 0 | 0 | 0 | 111 | K105 E106 S107 H113 A114 E115 | K105-L109 PolarHBondContact O-N 3.21Å; K105-L109 VanDerWaalsContact O-N 3.14Å; E106-L109 PolarHBondContact O-N 3.34Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.3Å; L109-H113 WeakPolarHBondContact O-CA 3.48Å; L109-H113 PolarHBondContact O-N 3.16Å; L109-A114 VanDerWaalsContact CA-O 3.29Å; L109-A114 WeakPolarHBondContact CA-O 3.49Å; L109-A114 PolarHBondContact N-O 3.01Å; L109-A114 VanDerWaalsContact N-O 3.08Å; L109-E115 HydrophobicContact CD1-CG 4.33Å |
| 110 | Q | 96.2 | Very high | 96 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -52.5 | -178.9 | -179.8 | 179 | 1.1 | 0 | 0 | 112.4 | Q71 E106 S107 | Q71-Q110 PolarHBondContact NE2-O 3.26Å; E106-Q110 WeakPolarHBondContact O-CB 3.1Å; E106-Q110 PolarHBondContact O-N 2.9Å; S107-Q110 PolarHBondContact O-N 3.32Å |
| 111 | F | 95.5 | Very high | 96 | Very high | 26 Ų | 26 | 52 Ų | 52 | 11% | 0.114 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -91.3 | -25.1 | -169.7 | -63.9 | -61.4 | 0 | 0 | 0 | 114.1 | L44 H67 Q71 S107 | L44-F111 HydrophobicContact CD1-CD2 4.48Å; L44-F111 HydrophobicContact CD2-CD2 4.29Å; H67-F111 HydrophobicContact CB-CB 4.17Å; H67-F111 HydrophobicContact CB-CD1 3.99Å; H67-F111 HydrophobicContact CB-CD2 3.96Å; H67-F111 HydrophobicContact CB-CE1 4.37Å; H67-F111 HydrophobicContact CB-CE2 4.34Å; H67-F111 HydrophobicContact CB-CG 3.78Å; Q71-F111 WeakPolarHBondContact CA-O 3.41Å; Q71-F111 HydrophobicContact CB-CD1 4.3Å; Q71-F111 WeakPolarHBondContact CB-O 3.25Å; Q71-F111 PolarHBondContact N-O 3.18Å; S107-F111 VanDerWaalsContact O-CD2 3.25Å; S107-F111 WeakPolarHBondContact O-CD2 3.47Å; S107-F111 PolarHBondContact O-N 3.08Å |
| 112 | Y | 95.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -124.5 | -1.4 | -170.1 | -62.7 | -82.6 | 0 | 0 | 0 | 114.3 | S37 A40 M41 L44 H67 F70 L74 C108 A114 | S37-Y112 WeakPolarHBondContact O-CE1 3.49Å; A40-Y112 HydrophobicContact CB-CE1 3.9Å; A40-Y112 WeakPolarHBondContact CB-OH 3.41Å; A40-Y112 PolarHBondContact O-OH 2.83Å; M41-Y112 HydrophobicContact CB-CD2 4.39Å; M41-Y112 HydrophobicContact CG-CD1 3.61Å; M41-Y112 HydrophobicContact CG-CD2 3.53Å; M41-Y112 HydrophobicContact CG-CE1 4.13Å; M41-Y112 HydrophobicContact CG-CE2 4.07Å; M41-Y112 HydrophobicContact CG-CG 3.27Å; M41-Y112 VanDerWaalsContact SD-CB 3.6Å; M41-Y112 HydrophobicContact SD-CD1 4.49Å; M41-Y112 HydrophobicContact SD-CG 4Å; L44-Y112 HydrophobicContact CD1-CD2 3.78Å; L44-Y112 HydrophobicContact CD1-CE2 3.45Å; L44-Y112 VanDerWaalsContact CD1-CE2 3.45Å; L44-Y112 HydrophobicContact CG-CE2 3.96Å; H67-Y112 AromaticContact ND1-CE2 3.76Å; H67-Y112 AromaticContact ND1-CZ 3.67Å; H67-Y112 PolarHBondContact ND1-OH 3.38Å; F70-Y112 HydrophobicContact CB-CD1 4.28Å; F70-Y112 HydrophobicContact CB-CE1 3.59Å; F70-Y112 HydrophobicContact CD1-CE1 4.47Å; F70-Y112 HydrophobicContact CD2-CE1 4.07Å; F70-Y112 AromaticContact CG-CE1 3.82Å; F70-Y112 HydrophobicContact CG-CE1 3.82Å; L74-Y112 HydrophobicContact CD1-CD1 3.95Å; C108-Y112 WeakPolarHBondContact O-CA 3.34Å; C108-Y112 WeakPolarHBondContact O-CB 3.34Å; C108-Y112 PolarHBondContact O-N 3.46Å; Y112-A114 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact O-N 3.12Å |
| 113 | H | 92.9 | Very high | 96 | Very high | 102 Ų | 102 | 58.2 Ų | 58.2 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 52.4 | 32.4 | -174.7 | -49.9 | 155 | 0 | 0 | 0 | 112 | T75 C108 L109 | T75-H113 PolarHBondContact OG1-CE1 3.1Å; C108-H113 PolarHBondContact O-N 3.06Å; L109-H113 WeakPolarHBondContact O-CA 3.48Å; L109-H113 PolarHBondContact O-N 3.16Å |
| 114 | A | 94.8 | Very high | 96 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | trans | -130.3 | 154.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | M41 N90 C108 L109 Y112 | M41-A114 HydrophobicContact CE-CB 4.29Å; M41-A114 HydrophobicContact SD-CB 3.31Å; M41-A114 WeakPolarHBondContact SD-CB 3.33Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; C108-A114 CarbonylContact C-O 3.6Å; C108-A114 WeakPolarHBondContact CB-O 3.39Å; C108-A114 PolarHBondContact O-N 2.86Å; L109-A114 VanDerWaalsContact CA-O 3.29Å; L109-A114 WeakPolarHBondContact CA-O 3.49Å; L109-A114 PolarHBondContact N-O 3.01Å; L109-A114 VanDerWaalsContact N-O 3.08Å; Y112-A114 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact O-N 3.12Å | ||
| 115 | E | 94.1 | Very high | 96 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | trans | -117.5 | 160.6 | -176.4 | -66.3 | 165.1 | -100.5 | 0 | 0 | 109.9 | R91 L92 L109 | R91-E115 WeakPolarHBondContact CG-O 3.35Å; R91-E115 IonicContact CZ-OE1 3.52Å; R91-E115 IonicContact NH2-OE1 2.91Å; R91-E115 PolarHBondContact NH2-OE1 3.42Å; R91-E115 IonicContact NH2-OE2 3.96Å; L92-E115 PolarHBondContact N-O 3.23Å; L109-E115 HydrophobicContact CD1-CG 4.33Å | ||
| 116 | L | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.7 | 158 | -176.9 | 149.5 | 0 | 0 | 0 | 108.1 | L92 F100 F104 K105 E118 L159 M303 | L92-L116 HydrophobicContact CB-CB 4.18Å; L92-L116 HydrophobicContact CB-CD1 4.16Å; L92-L116 HydrophobicContact CB-CG 4.09Å; L92-L116 CarbonylContact O-C 3.58Å; L92-L116 WeakPolarHBondContact O-CA 3.44Å; F100-L116 HydrophobicContact CB-CD2 4.19Å; F100-L116 HydrophobicContact CD1-CD1 3.55Å; F100-L116 HydrophobicContact CD1-CD2 4.2Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.57Å; F100-L116 HydrophobicContact CE1-CD1 3.75Å; F100-L116 HydrophobicContact CE2-CD2 3.95Å; F100-L116 HydrophobicContact CG-CD1 3.91Å; F100-L116 HydrophobicContact CG-CD2 3.71Å; F100-L116 HydrophobicContact CZ-CD1 4.28Å; F100-L116 HydrophobicContact CZ-CD2 4.43Å; F104-L116 HydrophobicContact CD1-CD1 4.28Å; F104-L116 HydrophobicContact CE1-CB 4.4Å; F104-L116 HydrophobicContact CE1-CD1 3.74Å; K105-L116 HydrophobicContact CG-CB 4.33Å; L116-E118 HydrophobicContact CD2-CG 4.02Å; L116-L159 HydrophobicContact CD1-CD1 4.41Å; L116-M303 HydrophobicContact CD1-SD 4.35Å |
| 117 | K | 96.7 | Very high | 96 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.7 | 174.9 | -177 | 165.1 | -174.1 | 173.1 | 0 | 110.6 | L92 F93 G94 L119 H131 | L92-K117 PolarHBondContact O-N 2.83Å; F93-K117 CarbonylContact C-O 3.57Å; F93-K117 VanDerWaalsContact CA-O 3.24Å; F93-K117 WeakPolarHBondContact CA-O 3.42Å; F93-K117 HydrophobicContact CD1-CB 3.89Å; F93-K117 HydrophobicContact CD1-CG 4.35Å; F93-K117 HydrophobicContact CE1-CB 4.08Å; F93-K117 HydrophobicContact CE1-CD 4.2Å; F93-K117 HydrophobicContact CE1-CG 4.44Å; G94-K117 PolarHBondContact N-O 3.5Å; K117-L119 HydrophobicContact CD-CD2 4.47Å; K117-L119 HydrophobicContact CG-CD2 4.41Å; K117-H131 PolarHBondContact NZ-CE1 3.4Å; K117-H131 VanDerWaalsContact NZ-CE1 3.28Å; K117-H131 PolarHBondContact NZ-NE2 3.4Å |
| 118 | E | 97 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.1 | 175.5 | -70.9 | 166.2 | -151.7 | 0 | 0 | 110.5 | G94 K96 F100 K105 L116 | G94-E118 CarbonylContact O-C 3.6Å; G94-E118 VanDerWaalsContact O-CA 3.31Å; G94-E118 WeakPolarHBondContact O-CA 3.44Å; K96-E118 HydrophobicContact CB-CB 4.13Å; F100-E118 HydrophobicContact CD2-CG 3.86Å; F100-E118 HydrophobicContact CE2-CG 4.11Å; K105-E118 IonicContact NZ-OE1 3.15Å; K105-E118 PolarHBondContact NZ-OE1 3.35Å; L116-E118 HydrophobicContact CD2-CG 4.02Å |
| 119 | L | 97.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 169 | 175.8 | -65.4 | -179 | 0 | 0 | 0 | 109.9 | F93 G94 E95 K96 K117 F121 I132 | F93-L119 HydrophobicContact CB-CD1 4.29Å; F93-L119 HydrophobicContact CD1-CD1 3.43Å; F93-L119 VanDerWaalsContact CD1-CD1 3.43Å; F93-L119 HydrophobicContact CD1-CG 3.99Å; F93-L119 HydrophobicContact CE1-CD1 4.02Å; F93-L119 HydrophobicContact CG-CD1 4.15Å; G94-L119 PolarHBondContact O-N 3.3Å; E95-L119 CarbonylContact C-O 3.48Å; E95-L119 WeakPolarHBondContact CA-O 3.46Å; K96-L119 WeakPolarHBondContact CB-O 3.35Å; K96-L119 PolarHBondContact N-O 2.97Å; K117-L119 HydrophobicContact CD-CD2 4.47Å; K117-L119 HydrophobicContact CG-CD2 4.41Å; L119-F121 HydrophobicContact CB-CE1 4.23Å; L119-F121 HydrophobicContact CB-CZ 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.35Å; L119-F121 HydrophobicContact CD1-CZ 4.47Å; L119-I132 HydrophobicContact CD1-CD1 3.93Å; L119-I132 HydrophobicContact CD1-CG1 3.77Å |
| 120 | S | 96.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -108.6 | 86.1 | 178.5 | -156.7 | 0 | 0 | 0 | 0 | 110.6 | K96 A124 S128 | K96-S120 WeakPolarHBondContact CE-OG 3.33Å; K96-S120 PolarHBondContact NZ-OG 2.87Å; S120-A124 CarbonylContact O-C 3.56Å; S120-A124 WeakPolarHBondContact O-CA 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.41Å; S120-A124 VanDerWaalsContact O-O 3.12Å; S120-S128 PolarHBondContact N-OG 3.41Å; S120-S128 PolarHBondContact O-OG 3.04Å; S120-S128 VanDerWaalsContact O-OG 3.14Å | ||
| 121 | F | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 171.5 | -53.2 | -57.5 | 0 | 0 | 0 | 111.1 | F93 E95 L119 R123 A124 A125 I132 I153 T157 V160 | F93-F121 HydrophobicContact CB-CZ 3.79Å; E95-F121 HydrophobicContact CB-CD2 4.05Å; E95-F121 VanDerWaalsContact OE2-CA 3.28Å; E95-F121 WeakPolarHBondContact OE2-CA 3.21Å; E95-F121 VanDerWaalsContact OE2-CB 3.29Å; E95-F121 WeakPolarHBondContact OE2-CB 3.35Å; E95-F121 PolarHBondContact OE2-N 3.02Å; L119-F121 HydrophobicContact CB-CE1 4.23Å; L119-F121 HydrophobicContact CB-CZ 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.35Å; L119-F121 HydrophobicContact CD1-CZ 4.47Å; F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.88Å; F121-A124 PolarHBondContact O-N 3.38Å; F121-A125 WeakPolarHBondContact O-CB 3.38Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-A125 VanDerWaalsContact O-N 3.12Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 4.47Å; F121-I153 HydrophobicContact CD1-CD1 3.82Å; F121-I153 HydrophobicContact CE1-CD1 3.84Å; F121-T157 HydrophobicContact CB-CG2 4.36Å; F121-T157 HydrophobicContact CD1-CG2 4.29Å; F121-T157 HydrophobicContact CD2-CG2 3.92Å; F121-T157 HydrophobicContact CE2-CG2 4.23Å; F121-T157 HydrophobicContact CG-CG2 3.94Å; F121-V160 HydrophobicContact CE1-CG2 4.28Å; F121-V160 HydrophobicContact CE2-CG2 4.27Å; F121-V160 HydrophobicContact CZ-CB 4.42Å; F121-V160 HydrophobicContact CZ-CG2 3.84Å |
| 122 | I | 94.7 | Very high | 96.4 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.1 | -43.4 | -178.3 | -65.8 | 172 | 0 | 0 | 0 | 112.4 | E95 | E95-I122 HydrophobicContact CG-CD1 3.7Å; E95-I122 HydrophobicContact CG-CG1 4.02Å; E95-I122 PolarHBondContact OE2-N 3.46Å |
| 123 | R | 96.5 | Very high | 96.5 | Very high | 205 Ų | 205 | 54 Ų | 54 | 77% | 0.774 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -104.3 | -19.3 | -174.2 | -59.3 | -173.2 | -177.3 | -179.4 | 0.9 | 114 | F121 | F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.88Å |
| 124 | A | 96.5 | Very high | 96.7 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -152.3 | 49.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S120 F121 E126 E127 S128 | S120-A124 CarbonylContact O-C 3.56Å; S120-A124 WeakPolarHBondContact O-CA 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.41Å; S120-A124 VanDerWaalsContact O-O 3.12Å; F121-A124 PolarHBondContact O-N 3.38Å; A124-E126 PolarHBondContact O-N 2.94Å; A124-E127 HydrophobicContact CB-CB 4.28Å; A124-E127 PolarHBondContact O-N 2.76Å; A124-S128 WeakPolarHBondContact O-CB 3.2Å; A124-S128 PolarHBondContact O-N 2.8Å; A124-S128 PolarHBondContact O-OG 3.39Å |
| 125 | A | 96.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.9 | -51.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F121 E127 S128 R129 I153 | F121-A125 WeakPolarHBondContact O-CB 3.38Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-A125 VanDerWaalsContact O-N 3.12Å; A125-E127 PolarHBondContact O-N 3.12Å; A125-S128 WeakPolarHBondContact O-CB 3.37Å; A125-S128 PolarHBondContact O-N 3.12Å; A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 PolarHBondContact O-N 3.36Å; A125-I153 WeakPolarHBondContact O-CD1 3.41Å |
| 126 | E | 96.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -38.8 | -179 | -76.6 | -56.7 | 131.1 | 0 | 0 | 113.8 | A124 R129 K130 | A124-E126 PolarHBondContact O-N 2.94Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 IonicContact OE1-NE 2.92Å; E126-R129 IonicContact OE2-CZ 3.16Å; E126-R129 IonicContact OE2-NE 2.71Å; E126-R129 PolarHBondContact OE2-NE 2.98Å; E126-R129 IonicContact OE2-NH2 2.81Å; E126-R129 PolarHBondContact OE2-NH2 2.85Å; E126-K130 WeakPolarHBondContact O-CG 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å |
| 127 | E | 97.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 53% | 0.533 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.6 | -37 | 176.3 | -65.5 | -55.6 | 120.1 | 0 | 0 | 111.5 | A124 A125 R129 K130 H131 | A124-E127 HydrophobicContact CB-CB 4.28Å; A124-E127 PolarHBondContact O-N 2.76Å; A125-E127 PolarHBondContact O-N 3.12Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-K130 IonicContact OE1-NZ 2.83Å; E127-K130 PolarHBondContact OE1-NZ 3.32Å; E127-H131 VanDerWaalsContact O-CB 3.3Å; E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-N 2.67Å |
| 128 | S | 97.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 172.3 | -58 | 0 | 0 | 0 | 0 | 111.2 | S120 A124 A125 H131 I132 | S120-S128 PolarHBondContact N-OG 3.41Å; S120-S128 PolarHBondContact O-OG 3.04Å; S120-S128 VanDerWaalsContact O-OG 3.14Å; A124-S128 WeakPolarHBondContact O-CB 3.2Å; A124-S128 PolarHBondContact O-N 2.8Å; A124-S128 PolarHBondContact O-OG 3.39Å; A125-S128 WeakPolarHBondContact O-CB 3.37Å; A125-S128 PolarHBondContact O-N 3.12Å; S128-H131 WeakPolarHBondContact O-CB 3.44Å; S128-H131 PolarHBondContact O-N 3.12Å; S128-I132 VanDerWaalsContact O-CG1 3.26Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.9Å |
| 129 | R | 97.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 176.6 | -168.5 | -173.2 | 66.7 | 87 | -1.9 | 111.3 | A125 E126 E127 H131 I132 N133 E146 L148 P149 I153 | A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 PolarHBondContact O-N 3.36Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 IonicContact OE1-NE 2.92Å; E126-R129 IonicContact OE2-CZ 3.16Å; E126-R129 IonicContact OE2-NE 2.71Å; E126-R129 PolarHBondContact OE2-NE 2.98Å; E126-R129 IonicContact OE2-NH2 2.81Å; E126-R129 PolarHBondContact OE2-NH2 2.85Å; E127-R129 VanDerWaalsContact C-N 3.33Å; R129-H131 VanDerWaalsContact C-N 3.29Å; R129-H131 PolarHBondContact O-N 3.49Å; R129-I132 PolarHBondContact O-N 3.48Å; R129-N133 PolarHBondContact NH1-ND2 2.7Å; R129-N133 PolarHBondContact O-N 3.43Å; R129-E146 IonicContact NH1-OE1 2.75Å; R129-E146 PolarHBondContact NH1-OE1 3.23Å; R129-E146 VanDerWaalsContact NH1-OE1 3.11Å; R129-L148 HydrophobicContact CG-CB 3.73Å; R129-L148 HydrophobicContact CG-CD1 4.37Å; R129-L148 PolarHBondContact NH1-O 2.77Å; R129-P149 VanDerWaalsContact CD-O 3.3Å; R129-P149 WeakPolarHBondContact CD-O 3.26Å; R129-I153 HydrophobicContact CB-CD1 3.67Å; R129-I153 HydrophobicContact CB-CG1 3.96Å; R129-I153 HydrophobicContact CG-CD1 4.3Å; R129-I153 HydrophobicContact CG-CG1 4.3Å |
| 130 | K | 97.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 176.6 | -69.6 | 173.4 | -168.4 | 164.8 | 0 | 111.8 | E126 E127 N133 T134 | E126-K130 WeakPolarHBondContact O-CG 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å; E127-K130 IonicContact OE1-NZ 2.83Å; E127-K130 PolarHBondContact OE1-NZ 3.32Å; K130-N133 PolarHBondContact O-N 3.26Å; K130-T134 WeakPolarHBondContact O-CB 3.36Å; K130-T134 PolarHBondContact O-N 2.98Å; K130-T134 PolarHBondContact O-OG1 2.95Å |
| 131 | H | 97.8 | Very high | 96.2 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 176.6 | -175.8 | 79.9 | 0 | 0 | 0 | 111.8 | K117 E127 S128 R129 W135 | K117-H131 PolarHBondContact NZ-CE1 3.4Å; K117-H131 VanDerWaalsContact NZ-CE1 3.28Å; K117-H131 PolarHBondContact NZ-NE2 3.4Å; E127-H131 VanDerWaalsContact O-CB 3.3Å; E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-N 2.67Å; S128-H131 WeakPolarHBondContact O-CB 3.44Å; S128-H131 PolarHBondContact O-N 3.12Å; R129-H131 VanDerWaalsContact C-N 3.29Å; R129-H131 PolarHBondContact O-N 3.49Å; H131-W135 WeakPolarHBondContact O-CB 3.47Å; H131-W135 PolarHBondContact O-N 3.22Å |
| 132 | I | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 177.5 | -68.3 | 166.7 | 0 | 0 | 0 | 110.3 | F93 L119 F121 S128 R129 T134 W135 V136 L148 V162 | F93-I132 HydrophobicContact CB-CD1 4.22Å; F93-I132 HydrophobicContact CD1-CD1 4.29Å; F93-I132 HydrophobicContact CD1-CG1 3.93Å; F93-I132 HydrophobicContact CD2-CD1 4.02Å; F93-I132 HydrophobicContact CD2-CG1 3.99Å; F93-I132 HydrophobicContact CE1-CG1 3.84Å; F93-I132 HydrophobicContact CE2-CD1 4.42Å; F93-I132 HydrophobicContact CE2-CG1 3.92Å; F93-I132 HydrophobicContact CE2-CG2 4.07Å; F93-I132 HydrophobicContact CG-CD1 3.93Å; F93-I132 HydrophobicContact CG-CG1 3.98Å; F93-I132 HydrophobicContact CZ-CB 4.47Å; F93-I132 HydrophobicContact CZ-CG1 3.82Å; F93-I132 HydrophobicContact CZ-CG2 4.36Å; L119-I132 HydrophobicContact CD1-CD1 3.93Å; L119-I132 HydrophobicContact CD1-CG1 3.77Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 4.47Å; S128-I132 VanDerWaalsContact O-CG1 3.26Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.9Å; R129-I132 PolarHBondContact O-N 3.48Å; I132-T134 PolarHBondContact O-N 2.94Å; I132-W135 PolarHBondContact O-N 3.04Å; I132-W135 VanDerWaalsContact O-N 3.15Å; I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.27Å; I132-V136 PolarHBondContact O-N 3.27Å; I132-L148 HydrophobicContact CB-CD1 4Å; I132-L148 HydrophobicContact CD1-CD1 3.71Å; I132-L148 HydrophobicContact CG1-CD1 4.46Å; I132-L148 HydrophobicContact CG2-CD1 3.71Å; I132-L148 HydrophobicContact CG2-CG 4.32Å; I132-V162 HydrophobicContact CG2-CG2 3.78Å |
| 133 | N | 97.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 179.1 | -77.2 | -16.2 | 0 | 0 | 0 | 112.1 | R129 K130 W135 V136 S137 L147 L148 | R129-N133 PolarHBondContact NH1-ND2 2.7Å; R129-N133 PolarHBondContact O-N 3.43Å; K130-N133 PolarHBondContact O-N 3.26Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.2Å; N133-V136 PolarHBondContact O-N 2.99Å; N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.15Å; N133-L147 PolarHBondContact OD1-N 2.77Å; N133-L148 PolarHBondContact ND2-O 3.08Å; N133-L148 PolarHBondContact OD1-N 3.08Å |
| 134 | T | 97.8 | Very high | 95.6 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.7 | K130 I132 K138 | K130-T134 WeakPolarHBondContact O-CB 3.36Å; K130-T134 PolarHBondContact O-N 2.98Å; K130-T134 PolarHBondContact O-OG1 2.95Å; I132-T134 PolarHBondContact O-N 2.94Å; T134-K138 WeakPolarHBondContact O-CB 3.44Å; T134-K138 PolarHBondContact O-N 2.98Å; T134-K138 VanDerWaalsContact O-N 3.07Å |
| 135 | W | 97.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 13% | 0.125 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 177.8 | 172.4 | 80.9 | 0 | 0 | 0 | 112.2 | A89 R91 F93 H131 I132 N133 K138 K139 V162 | A89-W135 HydrophobicContact CB-CH2 3.85Å; A89-W135 HydrophobicContact CB-CZ3 4Å; R91-W135 HydrophobicContact CB-CH2 3.26Å; R91-W135 HydrophobicContact CB-CZ2 3.77Å; R91-W135 HydrophobicContact CB-CZ3 3.83Å; R91-W135 HydrophobicContact CG-CH2 4.25Å; R91-W135 HydrophobicContact CG-CZ2 4.41Å; F93-W135 HydrophobicContact CE2-CE3 4.08Å; F93-W135 AromaticContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CZ-CD2 4.11Å; F93-W135 AromaticContact CZ-CE3 3.63Å; F93-W135 HydrophobicContact CZ-CE3 3.63Å; F93-W135 AromaticContact CZ-CZ3 3.93Å; F93-W135 HydrophobicContact CZ-CZ3 3.93Å; H131-W135 WeakPolarHBondContact O-CB 3.47Å; H131-W135 PolarHBondContact O-N 3.22Å; I132-W135 PolarHBondContact O-N 3.04Å; I132-W135 VanDerWaalsContact O-N 3.15Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.2Å; W135-K138 PolarHBondContact O-N 2.65Å; W135-K139 HydrophobicContact CD2-CG 4.36Å; W135-K139 HydrophobicContact CZ2-CG 4.09Å; W135-K139 WeakPolarHBondContact O-CB 3.5Å; W135-K139 WeakPolarHBondContact O-CG 3.3Å; W135-K139 PolarHBondContact O-N 3.17Å; W135-V162 HydrophobicContact CZ3-CG1 3.83Å |
| 136 | V | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I132 N133 K138 K139 T140 I144 L147 V162 A164 | I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.27Å; I132-V136 PolarHBondContact O-N 3.27Å; N133-V136 PolarHBondContact O-N 2.99Å; V136-K138 VanDerWaalsContact C-N 3.33Å; V136-K138 PolarHBondContact O-N 3.16Å; V136-K139 PolarHBondContact O-N 3.25Å; V136-T140 HydrophobicContact CG1-CG2 4.26Å; V136-T140 WeakPolarHBondContact O-CB 3.42Å; V136-T140 WeakPolarHBondContact O-CG2 3.37Å; V136-T140 PolarHBondContact O-N 3.37Å; V136-T140 PolarHBondContact O-OG1 2.71Å; V136-I144 HydrophobicContact CG1-CB 4.03Å; V136-I144 HydrophobicContact CG1-CG2 3.7Å; V136-L147 HydrophobicContact CG1-CB 4.33Å; V136-L147 HydrophobicContact CG2-CB 4.41Å; V136-L147 HydrophobicContact CG2-CD2 3.75Å; V136-V162 HydrophobicContact CG2-CG1 3.73Å; V136-A164 HydrophobicContact CG1-CB 3.55Å |
| 137 | S | 96.2 | Very high | 95.1 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.2 | -49.8 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | N133 K139 T140 E141 G142 I144 | N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.15Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.41Å; S137-T140 CarbonylContact O-C 3.59Å; S137-T140 PolarHBondContact O-N 2.99Å; S137-T140 PolarHBondContact O-OG1 3.39Å; S137-E141 PolarHBondContact O-N 2.9Å; S137-G142 PolarHBondContact O-N 2.83Å; S137-I144 WeakPolarHBondContact CA-O 3.4Å; S137-I144 PolarHBondContact N-O 2.94Å |
| 138 | K | 96.7 | Very high | 94.9 | Very high | 177 Ų | 177 | 53.7 Ų | 53.7 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 176.1 | -177.5 | 174.9 | -179.9 | 174.8 | 0 | 112.9 | T134 W135 V136 T140 | T134-K138 WeakPolarHBondContact O-CB 3.44Å; T134-K138 PolarHBondContact O-N 2.98Å; T134-K138 VanDerWaalsContact O-N 3.07Å; W135-K138 PolarHBondContact O-N 2.65Å; V136-K138 VanDerWaalsContact C-N 3.33Å; V136-K138 PolarHBondContact O-N 3.16Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å |
| 139 | K | 93.2 | Very high | 94.8 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 45% | 0.452 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.5 | -19.2 | -178.7 | -74.9 | -69.4 | -174 | 174.8 | 0 | 113.3 | A89 W135 V136 S137 | A89-K139 HydrophobicContact CB-CB 3.6Å; A89-K139 HydrophobicContact CB-CG 4.27Å; W135-K139 HydrophobicContact CD2-CG 4.36Å; W135-K139 HydrophobicContact CZ2-CG 4.09Å; W135-K139 WeakPolarHBondContact O-CB 3.5Å; W135-K139 WeakPolarHBondContact O-CG 3.3Å; W135-K139 PolarHBondContact O-N 3.17Å; V136-K139 PolarHBondContact O-N 3.25Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.41Å |
| 140 | T | 91.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 20.8 | -176.5 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | A89 V136 S137 K138 G142 K143 I144 A164 | A89-T140 HydrophobicContact CB-CG2 4.34Å; V136-T140 HydrophobicContact CG1-CG2 4.26Å; V136-T140 WeakPolarHBondContact O-CB 3.42Å; V136-T140 WeakPolarHBondContact O-CG2 3.37Å; V136-T140 PolarHBondContact O-N 3.37Å; V136-T140 PolarHBondContact O-OG1 2.71Å; S137-T140 CarbonylContact O-C 3.59Å; S137-T140 PolarHBondContact O-N 2.99Å; S137-T140 PolarHBondContact O-OG1 3.39Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å; T140-G142 PolarHBondContact O-N 2.83Å; T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.28Å; T140-K143 PolarHBondContact O-N 3.05Å; T140-I144 HydrophobicContact CG2-CB 4.27Å; T140-I144 HydrophobicContact CG2-CD1 4.11Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 PolarHBondContact OG1-N 2.94Å; T140-A164 HydrophobicContact CG2-CB 4.25Å |
| 141 | E | 90.8 | Very high | 94.2 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.1 | 179.5 | -51.6 | -79.1 | -175.9 | 0 | 0 | 112.9 | R87 S137 K143 Y166 | R87-E141 HydrophobicContact CG-CG 4.03Å; R87-E141 IonicContact CZ-OE1 3.21Å; R87-E141 IonicContact NE-OE1 2.71Å; R87-E141 PolarHBondContact NE-OE1 2.85Å; R87-E141 IonicContact NH2-OE1 2.79Å; S137-E141 PolarHBondContact O-N 2.9Å; E141-K143 PolarHBondContact O-N 3.03Å; E141-Y166 HydrophobicContact CB-CE1 4.49Å |
| 142 | G | 93.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 4.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S137 T140 E145 | S137-G142 PolarHBondContact O-N 2.83Å; T140-G142 PolarHBondContact O-N 2.83Å; G142-E145 WeakPolarHBondContact O-CG 3.44Å |
| 143 | K | 91.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -74.1 | -28.5 | -178.7 | -61 | -60.4 | -178.8 | 177.9 | 0 | 113.5 | T140 E141 Y166 Q275 F319 | T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.28Å; T140-K143 PolarHBondContact O-N 3.05Å; E141-K143 PolarHBondContact O-N 3.03Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 4.42Å; K143-Y166 HydrophobicContact CB-CG 4.22Å; K143-Y166 HydrophobicContact CG-CD1 3.79Å; K143-Y166 HydrophobicContact CG-CD2 4.09Å; K143-Y166 HydrophobicContact CG-CE1 3.72Å; K143-Y166 HydrophobicContact CG-CE2 4.05Å; K143-Y166 HydrophobicContact CG-CG 3.97Å; K143-Q275 PolarHBondContact O-OE1 2.83Å; K143-F319 HydrophobicContact CB-CG 4.44Å |
| 144 | I | 90.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -119.6 | 89.6 | 177.8 | -60.6 | 173.1 | 0 | 0 | 0 | 108.4 | V136 S137 T140 L147 A164 K317 F319 | V136-I144 HydrophobicContact CG1-CB 4.03Å; V136-I144 HydrophobicContact CG1-CG2 3.7Å; S137-I144 WeakPolarHBondContact CA-O 3.4Å; S137-I144 PolarHBondContact N-O 2.94Å; T140-I144 HydrophobicContact CG2-CB 4.27Å; T140-I144 HydrophobicContact CG2-CD1 4.11Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 PolarHBondContact OG1-N 2.94Å; I144-L147 HydrophobicContact CG2-CB 4.43Å; I144-A164 HydrophobicContact CD1-CB 3.88Å; I144-A164 HydrophobicContact CG2-CB 4.48Å; I144-K317 HydrophobicContact CD1-CB 4.34Å; I144-K317 HydrophobicContact CD1-CG 4.05Å; I144-K317 HydrophobicContact CG1-CG 4.31Å; I144-K317 HydrophobicContact CG2-CB 4.33Å; I144-K317 HydrophobicContact CG2-CD 3.59Å; I144-K317 HydrophobicContact CG2-CG 3.9Å; I144-F319 HydrophobicContact CD1-CB 4.46Å; I144-F319 HydrophobicContact CG1-CB 4.48Å | ||
| 145 | E | 92.4 | Very high | 93.5 | Very high | 143 Ų | 143 | 56.3 Ų | 56.3 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | trans | -80.1 | -47.3 | -176.4 | -61.8 | -173.4 | 170.2 | 0 | 0 | 112.9 | G142 | G142-E145 WeakPolarHBondContact O-CG 3.44Š| ||
| 146 | E | 93.4 | Very high | 93.3 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | trans | -117.1 | 107.7 | 177.1 | -171.8 | 165.5 | -119 | 0 | 0 | 110.3 | R129 K317 | R129-E146 IonicContact NH1-OE1 2.75Å; R129-E146 PolarHBondContact NH1-OE1 3.23Å; R129-E146 VanDerWaalsContact NH1-OE1 3.11Å; E146-K317 PolarHBondContact O-NZ 3.19Å | ||
| 147 | L | 92.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -94.3 | -43.3 | 172.4 | -179.9 | 73.6 | 0 | 0 | 0 | 111.1 | N133 V136 I144 P149 V162 A164 V315 K317 | N133-L147 PolarHBondContact OD1-N 2.77Å; V136-L147 HydrophobicContact CG1-CB 4.33Å; V136-L147 HydrophobicContact CG2-CB 4.41Å; V136-L147 HydrophobicContact CG2-CD2 3.75Å; I144-L147 HydrophobicContact CG2-CB 4.43Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å; L147-V162 HydrophobicContact CD2-CB 4.09Å; L147-V162 HydrophobicContact CD2-CG1 3.26Å; L147-V162 HydrophobicContact CD2-CG2 3.9Å; L147-A164 HydrophobicContact CD1-CB 4.38Å; L147-V315 HydrophobicContact CD1-CB 4.39Å; L147-V315 HydrophobicContact CD1-CG2 4.36Å; L147-V315 HydrophobicContact CD2-CG2 3.68Å; L147-V315 HydrophobicContact CG-CB 4.33Å; L147-V315 HydrophobicContact CG-CG2 3.88Å; L147-K317 HydrophobicContact CD1-CB 3.25Å; L147-K317 HydrophobicContact CD1-CD 4.01Å; L147-K317 HydrophobicContact CD1-CG 4.24Å |
| 148 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -103.8 | 105.7 | -179.9 | -71.1 | -179.1 | 0 | 0 | 0 | 109.3 | R129 I132 N133 S152 I153 K313 V315 | R129-L148 HydrophobicContact CG-CB 3.73Å; R129-L148 HydrophobicContact CG-CD1 4.37Å; R129-L148 PolarHBondContact NH1-O 2.77Å; I132-L148 HydrophobicContact CB-CD1 4Å; I132-L148 HydrophobicContact CD1-CD1 3.71Å; I132-L148 HydrophobicContact CG1-CD1 4.46Å; I132-L148 HydrophobicContact CG2-CD1 3.71Å; I132-L148 HydrophobicContact CG2-CG 4.32Å; N133-L148 PolarHBondContact ND2-O 3.08Å; N133-L148 PolarHBondContact OD1-N 3.08Å; L148-S152 WeakPolarHBondContact CB-OG 3.32Å; L148-I153 HydrophobicContact CD1-CD1 4.33Å; L148-I153 HydrophobicContact CD1-CG2 4.2Å; L148-K313 HydrophobicContact CD2-CD 3.96Å; L148-V315 HydrophobicContact CD2-CB 4.43Å; L148-V315 HydrophobicContact CD2-CG1 3.9Å; L148-V315 HydrophobicContact CD2-CG2 3.75Å |
| 149 | P | 94 | Very high | 93.2 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | trans | -66.1 | 168.1 | 177.3 | 27.1 | -32.6 | 0 | 0 | 0 | 111.3 | R129 L147 S151 S152 | R129-P149 VanDerWaalsContact CD-O 3.3Å; R129-P149 WeakPolarHBondContact CD-O 3.26Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-S151 PolarHBondContact O-N 3.05Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 3.36Å; P149-S152 VanDerWaalsContact O-N 3.15Å; P149-S152 PolarHBondContact O-OG 3.11Å | ||
| 150 | G | 92.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 50% | 0.495 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 139.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S152 | G150-S152 PolarHBondContact O-N 3.02Š|
| 151 | S | 89.8 | Confident | 93.7 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 72% | 0.72 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 12.5 | 179.8 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | P149 I153 | P149-S151 PolarHBondContact O-N 3.05Å; S151-I153 PolarHBondContact O-N 2.93Å |
| 152 | S | 92.2 | Very high | 94 | Very high | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.4 | -16.9 | 179.8 | 74.9 | 0 | 0 | 0 | 0 | 114.2 | L148 P149 G150 K313 | L148-S152 WeakPolarHBondContact CB-OG 3.32Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 3.36Å; P149-S152 VanDerWaalsContact O-N 3.15Å; P149-S152 PolarHBondContact O-OG 3.11Å; G150-S152 PolarHBondContact O-N 3.02Å; S152-K313 WeakPolarHBondContact O-CD 3.4Å; S152-K313 WeakPolarHBondContact O-CE 3.05Å; S152-K313 PolarHBondContact O-NZ 3.16Å |
| 153 | I | 95 | Very high | 94.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -134.4 | 149.2 | 175 | 62.4 | 175.1 | 0 | 0 | 0 | 108.6 | F121 A125 R129 L148 S151 T157 V160 K313 | F121-I153 HydrophobicContact CD1-CD1 3.82Å; F121-I153 HydrophobicContact CE1-CD1 3.84Å; A125-I153 WeakPolarHBondContact O-CD1 3.41Å; R129-I153 HydrophobicContact CB-CD1 3.67Å; R129-I153 HydrophobicContact CB-CG1 3.96Å; R129-I153 HydrophobicContact CG-CD1 4.3Å; R129-I153 HydrophobicContact CG-CG1 4.3Å; L148-I153 HydrophobicContact CD1-CD1 4.33Å; L148-I153 HydrophobicContact CD1-CG2 4.2Å; S151-I153 PolarHBondContact O-N 2.93Å; I153-T157 HydrophobicContact CB-CG2 4.3Å; I153-T157 HydrophobicContact CG2-CG2 4.24Å; I153-V160 HydrophobicContact CG2-CG2 4.06Å; I153-K313 HydrophobicContact CG2-CD 4.21Å |
| 154 | D | 95 | Very high | 94.4 | Very high | 75 Ų | 75 | 41.2 Ų | 41.2 | 40% | 0.401 | 23% | 0.234 | S | C | . | . | trans | -146.2 | -169.2 | -169.8 | 58.6 | 25 | 0 | 0 | 0 | 111.6 | E156 T157 | D154-E156 PolarHBondContact O-N 3.41Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 PolarHBondContact OD1-N 3.4Å; D154-T157 PolarHBondContact N-OG1 3.48Å; D154-T157 WeakPolarHBondContact O-CB 3.38Å; D154-T157 PolarHBondContact O-N 2.8Å; D154-T157 PolarHBondContact O-OG1 3.14Å; D154-T157 PolarHBondContact OD1-N 3.02Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å | ||
| 155 | A | 94.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 44% | 0.438 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -73.5 | -13.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R158 | A155-R158 PolarHBondContact O-NH1 3.47Š|
| 156 | E | 92.9 | Very high | 94.7 | Very high | 158 Ų | 158 | 35 Ų | 35 | 74% | 0.738 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -88.9 | -19.9 | 176.7 | -60.9 | -169.5 | 167.5 | 0 | 0 | 111.7 | D154 R158 | D154-E156 PolarHBondContact O-N 3.41Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 PolarHBondContact OD1-N 3.4Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-NH1 3Å; E156-R158 VanDerWaalsContact O-NH1 3.16Å |
| 157 | T | 95.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | trans | -56.5 | 129.9 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F121 I153 D154 V160 | F121-T157 HydrophobicContact CB-CG2 4.36Å; F121-T157 HydrophobicContact CD1-CG2 4.29Å; F121-T157 HydrophobicContact CD2-CG2 3.92Å; F121-T157 HydrophobicContact CE2-CG2 4.23Å; F121-T157 HydrophobicContact CG-CG2 3.94Å; I153-T157 HydrophobicContact CB-CG2 4.3Å; I153-T157 HydrophobicContact CG2-CG2 4.24Å; D154-T157 PolarHBondContact N-OG1 3.48Å; D154-T157 WeakPolarHBondContact O-CB 3.38Å; D154-T157 PolarHBondContact O-N 2.8Å; D154-T157 PolarHBondContact O-OG1 3.14Å; D154-T157 PolarHBondContact OD1-N 3.02Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å | ||
| 158 | R | 94.7 | Very high | 94.6 | Very high | 73 Ų | 73 | 31.8 Ų | 31.8 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | trans | -120.8 | -37.4 | 178.5 | -64.4 | -64.3 | 177.3 | -91.2 | -3.1 | 113.1 | G94 E95 A155 E156 L309 S312 | G94-R158 CarbonylContact C-O 2.99Å; G94-R158 WeakPolarHBondContact CA-O 3.32Å; E95-R158 PolarHBondContact N-O 2.9Å; A155-R158 PolarHBondContact O-NH1 3.47Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-NH1 3Å; E156-R158 VanDerWaalsContact O-NH1 3.16Å; R158-L309 HydrophobicContact CB-CD1 3.99Å; R158-S312 PolarHBondContact N-OG 3.35Å | ||
| 159 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 126.2 | -179.6 | -170.6 | 69 | 0 | 0 | 0 | 110.5 | L92 F93 F100 L116 L300 M303 L309 C310 L311 S312 K313 | L92-L159 HydrophobicContact CD2-CD1 4.1Å; L92-L159 HydrophobicContact CD2-CD2 4.39Å; L92-L159 HydrophobicContact CD2-CG 4.21Å; F93-L159 CarbonylContact O-C 3.58Å; F93-L159 WeakPolarHBondContact O-CA 3.28Å; F100-L159 HydrophobicContact CE1-CD1 4.32Å; F100-L159 HydrophobicContact CZ-CD1 4.46Å; L116-L159 HydrophobicContact CD1-CD1 4.41Å; L159-L300 HydrophobicContact CD2-CD1 3.96Å; L159-M303 HydrophobicContact CD1-SD 4.01Å; L159-M303 HydrophobicContact CD2-CE 3.89Å; L159-M303 HydrophobicContact CD2-SD 3.59Å; L159-M303 VanDerWaalsContact CD2-SD 3.59Å; L159-M303 HydrophobicContact CG-SD 4.47Å; L159-L309 HydrophobicContact CB-CD1 4.08Å; L159-C310 VanDerWaalsContact CB-O 3.29Å; L159-C310 WeakPolarHBondContact CB-O 3.32Å; L159-L311 HydrophobicContact CD2-CD1 4.15Å; L159-L311 HydrophobicContact CG-CD1 4.22Å; L159-S312 PolarHBondContact N-OG 3.46Å; L159-S312 WeakPolarHBondContact O-CB 3.42Å; L159-S312 PolarHBondContact O-N 2.96Å; L159-K313 PolarHBondContact O-N 2.98Å |
| 160 | V | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.5 | 177 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | F93 F121 I153 T157 V162 K313 | F93-V160 HydrophobicContact CB-CB 4.35Å; F93-V160 PolarHBondContact N-O 2.63Å; F93-V160 PolarHBondContact O-N 2.93Å; F121-V160 HydrophobicContact CE1-CG2 4.28Å; F121-V160 HydrophobicContact CE2-CG2 4.27Å; F121-V160 HydrophobicContact CZ-CB 4.42Å; F121-V160 HydrophobicContact CZ-CG2 3.84Å; I153-V160 HydrophobicContact CG2-CG2 4.06Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å; V160-V162 HydrophobicContact CG1-CG2 3.97Å; V160-K313 WeakPolarHBondContact CA-O 3.31Å; V160-K313 HydrophobicContact CG1-CB 4.3Å; V160-K313 HydrophobicContact CG2-CB 4.44Å |
| 161 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.8 | 167.4 | -179.9 | 61.6 | 0 | 0 | 0 | 108.8 | A38 L39 M41 V42 L92 L311 K313 F314 V315 | A38-L161 HydrophobicContact CB-CD1 4.08Å; A38-L161 HydrophobicContact CB-CD2 3.89Å; A38-L161 HydrophobicContact CB-CG 4.24Å; L39-L161 HydrophobicContact CD2-CD2 4.36Å; M41-L161 HydrophobicContact CE-CD1 3.63Å; V42-L161 HydrophobicContact CG2-CD2 3.94Å; L92-L161 HydrophobicContact CD2-CB 3.96Å; L92-L161 HydrophobicContact CD2-CD1 3.64Å; L92-L161 HydrophobicContact CD2-CG 4.37Å; L92-L161 HydrophobicContact CG-CD1 3.98Å; L161-L311 HydrophobicContact CB-CD1 3.73Å; L161-K313 PolarHBondContact N-O 2.86Å; L161-F314 HydrophobicContact CB-CB 4.18Å; L161-F314 HydrophobicContact CB-CD2 3.82Å; L161-F314 HydrophobicContact CB-CG 4.12Å; L161-F314 HydrophobicContact CD2-CD1 4Å; L161-F314 HydrophobicContact CD2-CD2 3.63Å; L161-F314 HydrophobicContact CD2-CE1 4.12Å; L161-F314 HydrophobicContact CD2-CE2 3.77Å; L161-F314 HydrophobicContact CD2-CG 3.79Å; L161-F314 HydrophobicContact CD2-CZ 4.02Å; L161-F314 HydrophobicContact CG-CD2 3.59Å; L161-F314 HydrophobicContact CG-CE2 3.86Å; L161-F314 HydrophobicContact CG-CG 4.14Å; L161-F314 WeakPolarHBondContact O-CA 3.42Å; L161-F314 WeakPolarHBondContact O-CD2 3.16Å; L161-V315 PolarHBondContact O-N 2.82Å; L161-V315 VanDerWaalsContact O-N 3.1Å |
| 162 | V | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.5 | 176.9 | 163.7 | 0 | 0 | 0 | 0 | 109.1 | N90 R91 F93 I132 W135 V136 L147 V160 V315 | N90-V162 WeakPolarHBondContact CA-O 3.21Å; N90-V162 PolarHBondContact OD1-O 2.77Å; R91-V162 PolarHBondContact N-O 3.42Å; R91-V162 PolarHBondContact O-N 3.31Å; F93-V162 HydrophobicContact CD2-CB 4.18Å; F93-V162 HydrophobicContact CD2-CG2 3.78Å; F93-V162 HydrophobicContact CE2-CB 3.87Å; F93-V162 HydrophobicContact CE2-CG1 4.42Å; F93-V162 HydrophobicContact CE2-CG2 3.75Å; I132-V162 HydrophobicContact CG2-CG2 3.78Å; W135-V162 HydrophobicContact CZ3-CG1 3.83Å; V136-V162 HydrophobicContact CG2-CG1 3.73Å; L147-V162 HydrophobicContact CD2-CB 4.09Å; L147-V162 HydrophobicContact CD2-CG1 3.26Å; L147-V162 HydrophobicContact CD2-CG2 3.9Å; V160-V162 HydrophobicContact CG1-CG2 3.97Å; V162-V315 HydrophobicContact CG2-CG2 4.02Å |
| 163 | N | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 111.8 | 170.8 | -168.8 | -98.2 | 0 | 0 | 0 | 110.5 | S34 A38 A89 N90 F314 V315 H316 K317 | S34-N163 WeakPolarHBondContact CB-OD1 3.08Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 2.75Å; S34-N163 PolarHBondContact OG-OD1 3.42Å; A38-N163 HydrophobicContact CB-CB 4.16Å; A89-N163 CarbonylContact O-C 3.56Å; A89-N163 WeakPolarHBondContact O-CA 3.5Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å; N163-F314 HydrophobicContact CB-CE2 3.78Å; N163-F314 HydrophobicContact CB-CZ 4.41Å; N163-V315 PolarHBondContact N-O 3.41Å; N163-H316 CarbonylContact O-C 3.52Å; N163-H316 VanDerWaalsContact O-CA 3.25Å; N163-H316 WeakPolarHBondContact O-CA 3.3Å; N163-H316 PolarHBondContact O-ND1 3.14Å; N163-H316 PolarHBondContact OD1-CE1 2.85Å; N163-H316 VanDerWaalsContact OD1-CE1 3.23Å; N163-H316 PolarHBondContact OD1-ND1 3Å; N163-K317 PolarHBondContact O-N 2.82Å |
| 164 | A | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A89 V136 T140 I144 L147 K317 | A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 2.97Å; A89-A164 PolarHBondContact O-N 3.03Å; V136-A164 HydrophobicContact CG1-CB 3.55Å; T140-A164 HydrophobicContact CG2-CB 4.25Å; I144-A164 HydrophobicContact CD1-CB 3.88Å; I144-A164 HydrophobicContact CG2-CB 4.48Å; L147-A164 HydrophobicContact CD1-CB 4.38Å; A164-K317 CarbonylContact C-O 3.58Å; A164-K317 WeakPolarHBondContact CA-O 3.38Å |
| 165 | I | 94.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 133.1 | -174 | -169.4 | 169.2 | 0 | 0 | 0 | 111.7 | L86 R87 K317 S318 F319 F369 | L86-I165 HydrophobicContact CD1-CD1 4Å; L86-I165 HydrophobicContact CD1-CG1 4.05Å; R87-I165 CarbonylContact O-C 3.6Å; R87-I165 WeakPolarHBondContact O-CA 3.49Å; I165-K317 PolarHBondContact N-O 2.98Å; I165-S318 CarbonylContact O-C 3.35Å; I165-S318 WeakPolarHBondContact O-CA 3.46Å; I165-F319 PolarHBondContact O-N 2.86Å; I165-F369 HydrophobicContact CB-CE1 4.45Å; I165-F369 HydrophobicContact CD1-CE1 3.84Å; I165-F369 HydrophobicContact CD1-CE2 4.5Å; I165-F369 HydrophobicContact CD1-CZ 3.53Å; I165-F369 HydrophobicContact CG1-CE1 3.93Å; I165-F369 HydrophobicContact CG1-CZ 3.73Å; I165-F369 HydrophobicContact CG2-CE1 3.78Å; I165-F369 HydrophobicContact CG2-CZ 4.47Å |
| 166 | Y | 93.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.2 | 178.3 | 163.6 | -135 | 0 | 0 | 0 | 109.6 | L85 L86 R87 E141 K143 K168 F319 | L85-Y166 HydrophobicContact CD2-CD1 4.37Å; L85-Y166 HydrophobicContact CD2-CE1 3.45Å; L85-Y166 VanDerWaalsContact CD2-CE1 3.45Å; L85-Y166 HydrophobicContact CG-CE1 4.11Å; L86-Y166 WeakPolarHBondContact CA-O 3.45Å; R87-Y166 HydrophobicContact CB-CD1 4.25Å; R87-Y166 HydrophobicContact CG-CD1 4.22Å; R87-Y166 PolarHBondContact N-O 2.91Å; R87-Y166 PolarHBondContact O-N 2.92Å; E141-Y166 HydrophobicContact CB-CE1 4.49Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 4.42Å; K143-Y166 HydrophobicContact CB-CG 4.22Å; K143-Y166 HydrophobicContact CG-CD1 3.79Å; K143-Y166 HydrophobicContact CG-CD2 4.09Å; K143-Y166 HydrophobicContact CG-CE1 3.72Å; K143-Y166 HydrophobicContact CG-CE2 4.05Å; K143-Y166 HydrophobicContact CG-CG 3.97Å; Y166-K168 HydrophobicContact CE2-CB 4.01Å; Y166-F319 HydrophobicContact CD2-CB 4.23Å; Y166-F319 AromaticContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CD1 3.45Å; Y166-F319 VanDerWaalsContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CE1 4.2Å; Y166-F319 HydrophobicContact CD2-CG 4.19Å; Y166-F319 AromaticContact CE2-CD1 3.61Å; Y166-F319 HydrophobicContact CE2-CD1 3.61Å; Y166-F319 AromaticContact CE2-CE1 3.89Å; Y166-F319 HydrophobicContact CE2-CE1 3.89Å |
| 167 | F | 93.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.9 | 174.5 | 176.5 | -101.6 | 0 | 0 | 0 | 112.1 | Y84 L85 L86 Y221 L226 F319 V320 E321 I359 F369 | Y84-F167 HydrophobicContact CD2-CE2 4.06Å; Y84-F167 HydrophobicContact CG-CE2 4.16Å; L85-F167 WeakPolarHBondContact O-CA 3.48Å; L86-F167 HydrophobicContact CD1-CB 4.15Å; L86-F167 HydrophobicContact CD1-CD2 4.07Å; F167-Y221 HydrophobicContact CE1-CE1 4.27Å; F167-Y221 HydrophobicContact CE1-CE2 4.15Å; F167-Y221 AromaticContact CE1-CZ 3.8Å; F167-Y221 HydrophobicContact CZ-CD2 4.36Å; F167-Y221 HydrophobicContact CZ-CE1 4.27Å; F167-Y221 HydrophobicContact CZ-CE2 4.04Å; F167-Y221 AromaticContact CZ-CZ 3.98Å; F167-L226 HydrophobicContact CD2-CD1 4.39Å; F167-L226 HydrophobicContact CE2-CD1 3.34Å; F167-L226 HydrophobicContact CZ-CD1 3.72Å; F167-F319 PolarHBondContact N-O 2.87Å; F167-V320 HydrophobicContact CD1-CG2 3.98Å; F167-V320 WeakPolarHBondContact O-CA 3.49Å; F167-E321 PolarHBondContact O-N 2.73Å; F167-I359 HydrophobicContact CD1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CG2 4.25Å; F167-I359 HydrophobicContact CZ-CD1 4.49Å; F167-I359 HydrophobicContact CZ-CG2 4.17Å; F167-F369 HydrophobicContact CB-CD2 4.4Å; F167-F369 HydrophobicContact CB-CE1 4.25Å; F167-F369 HydrophobicContact CB-CE2 3.56Å; F167-F369 HydrophobicContact CB-CZ 3.47Å; F167-F369 VanDerWaalsContact CB-CZ 3.47Å; F167-F369 HydrophobicContact CD2-CE2 4.12Å; F167-F369 HydrophobicContact CG-CD2 4.44Å; F167-F369 AromaticContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CZ 4.25Å |
| 168 | K | 91.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 114 | 164.7 | -176.5 | 175.7 | -179.8 | 178.2 | 0 | 108.8 | L85 Y166 E325 | L85-K168 HydrophobicContact CB-CB 4.25Å; L85-K168 PolarHBondContact N-O 3.37Å; L85-K168 PolarHBondContact O-N 2.84Å; Y166-K168 HydrophobicContact CE2-CB 4.01Å; K168-E325 WeakPolarHBondContact CE-OE2 3.4Å; K168-E325 IonicContact NZ-OE1 3.95Å; K168-E325 PolarHBondContact NZ-OE1 2.96Å; K168-E325 IonicContact NZ-OE2 3.09Å; K168-E325 PolarHBondContact NZ-OE2 3.48Å |
| 169 | G | 90 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -95.7 | 156.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 170 | K | 92.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 35.3 Ų | 35.3 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | trans | -109.9 | 130.4 | 167.7 | -71 | -178.1 | 172.8 | -163.6 | 0 | 108.5 | Y221 A222 E325 G326 T327 | K170-Y221 CarbonylContact O-C 3.58Å; K170-Y221 WeakPolarHBondContact O-CA 3.5Å; K170-Y221 WeakPolarHBondContact O-CB 3.15Å; K170-Y221 WeakPolarHBondContact O-CD1 3.37Å; K170-A222 HydrophobicContact CB-CB 4.36Å; K170-A222 WeakPolarHBondContact O-CB 3.28Å; K170-A222 PolarHBondContact O-N 2.84Å; K170-E325 WeakPolarHBondContact CA-O 3.33Å; K170-G326 WeakPolarHBondContact CD-O 3.49Å; K170-T327 HydrophobicContact CB-CG2 4.23Å; K170-T327 HydrophobicContact CD-CG2 4.12Å | ||
| 171 | W | 95.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 149.7 | 179.2 | -60.2 | 116.8 | 0 | 0 | 0 | 112.3 | E173 F175 L219 Y221 L228 L269 V322 N323 E325 T327 | W171-E173 VanDerWaalsContact C-N 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.26Å; W171-F175 AromaticContact CD1-CD2 3.74Å; W171-F175 HydrophobicContact CD2-CE2 4.3Å; W171-F175 AromaticContact CE2-CE2 3.84Å; W171-F175 HydrophobicContact CG-CD2 4.4Å; W171-F175 HydrophobicContact CG-CE2 4.42Å; W171-F175 HydrophobicContact CZ2-CE2 4.26Å; W171-F175 AromaticContact NE1-CD2 3.58Å; W171-F175 AromaticContact NE1-CE2 3.67Å; W171-L219 HydrophobicContact CE3-CB 4.31Å; W171-L219 HydrophobicContact CH2-CD1 4.49Å; W171-L219 HydrophobicContact CZ3-CB 3.83Å; W171-Y221 HydrophobicContact CD2-CD1 4.36Å; W171-Y221 HydrophobicContact CD2-CE1 4.17Å; W171-Y221 AromaticContact CE3-CD1 3.77Å; W171-Y221 HydrophobicContact CE3-CD1 3.77Å; W171-Y221 AromaticContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CG 4.37Å; W171-Y221 AromaticContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE2 4.49Å; W171-Y221 AromaticContact CH2-CZ 3.69Å; W171-Y221 HydrophobicContact CZ2-CE1 4.27Å; W171-Y221 AromaticContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD2 4.41Å; W171-Y221 AromaticContact CZ3-CE1 3.45Å; W171-Y221 HydrophobicContact CZ3-CE1 3.45Å; W171-Y221 VanDerWaalsContact CZ3-CE1 3.45Å; W171-Y221 AromaticContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CG 4.39Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; W171-L228 HydrophobicContact CH2-CB 3.99Å; W171-L228 HydrophobicContact CH2-CD2 3.65Å; W171-L228 HydrophobicContact CH2-CG 4.44Å; W171-L228 HydrophobicContact CZ3-CB 3.93Å; W171-L228 HydrophobicContact CZ3-CD2 4.39Å; W171-L269 HydrophobicContact CZ2-CD2 4.44Å; W171-V322 HydrophobicContact CH2-CG1 4.38Å; W171-V322 HydrophobicContact CZ2-CG1 3.79Å; W171-N323 PolarHBondContact NE1-O 3.24Å; W171-E325 VanDerWaalsContact CD1-O 3.3Å; W171-E325 PolarHBondContact N-O 3.35Å; W171-T327 PolarHBondContact O-N 2.92Å |
| 172 | N | 95.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -66.1 | -39.7 | 165.4 | -173.2 | 79.5 | 0 | 0 | 0 | 110.7 | P220 A330 | N172-P220 HydrophobicContact CB-CB 4.11Å; N172-P220 VanDerWaalsContact CB-O 3.27Å; N172-P220 WeakPolarHBondContact CB-O 3.02Å; N172-P220 PolarHBondContact N-O 2.78Å; N172-A330 WeakPolarHBondContact O-CB 3.5Å |
| 173 | E | 94.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -124.8 | 99.1 | 176.1 | -74.4 | 168.2 | -119.7 | 0 | 0 | 107.4 | W171 Q200 F204 | W171-E173 VanDerWaalsContact C-N 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.26Å; E173-Q200 PolarHBondContact O-NE2 2.76Å; E173-F204 HydrophobicContact CB-CE1 4.4Å; E173-F204 HydrophobicContact CB-CZ 4.29Å |
| 174 | P | 94.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 53 Ų | 53 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 153.8 | -176.3 | 22.4 | -29.1 | 0 | 0 | 0 | 113 | E324 | P174-E324 WeakPolarHBondContact CB-O 3.32Š|
| 175 | F | 95.5 | Very high | 95 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 145.2 | 165.6 | -62.2 | -99.8 | 0 | 0 | 0 | 108.7 | W171 M198 Q200 L219 V267 L269 E324 | W171-F175 AromaticContact CD1-CD2 3.74Å; W171-F175 HydrophobicContact CD2-CE2 4.3Å; W171-F175 AromaticContact CE2-CE2 3.84Å; W171-F175 HydrophobicContact CG-CD2 4.4Å; W171-F175 HydrophobicContact CG-CE2 4.42Å; W171-F175 HydrophobicContact CZ2-CE2 4.26Å; W171-F175 AromaticContact NE1-CD2 3.58Å; W171-F175 AromaticContact NE1-CE2 3.67Å; F175-M198 HydrophobicContact CB-CB 4.13Å; F175-M198 HydrophobicContact CD1-CB 3.56Å; F175-M198 HydrophobicContact CD2-CB 4.5Å; F175-M198 HydrophobicContact CD2-CE 4.18Å; F175-M198 HydrophobicContact CD2-SD 4.21Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.06Å; F175-M198 HydrophobicContact CG-CB 3.82Å; F175-M198 HydrophobicContact CG-SD 4.31Å; F175-M198 HydrophobicContact CZ-CE 4.33Å; F175-Q200 HydrophobicContact CD1-CB 3.94Å; F175-Q200 HydrophobicContact CD1-CG 3.68Å; F175-Q200 HydrophobicContact CE1-CB 4.3Å; F175-Q200 HydrophobicContact CE1-CG 3.58Å; F175-Q200 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q200 HydrophobicContact CG-CG 4.45Å; F175-Q200 HydrophobicContact CZ-CG 4.26Å; F175-L219 HydrophobicContact CZ-CD1 4.4Å; F175-V267 HydrophobicContact CE1-CG1 4.16Å; F175-V267 HydrophobicContact CZ-CG1 4.19Å; F175-L269 HydrophobicContact CZ-CB 4.27Å; F175-L269 HydrophobicContact CZ-CD2 4.38Å; F175-E324 HydrophobicContact CB-CB 3.99Å; F175-E324 HydrophobicContact CB-CG 3.95Å; F175-E324 PolarHBondContact N-O 2.86Å |
| 176 | D | 93.9 | Very high | 95 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 119.5 | 170.4 | -171.2 | -29.3 | 0 | 0 | 0 | 108.7 | T178 Y179 | D176-T178 PolarHBondContact O-N 3.4Å; D176-T178 VanDerWaalsContact O-N 3.1Å; D176-T178 WeakPolarHBondContact OD1-CB 3.34Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.33Å; D176-T178 PolarHBondContact OD1-N 3.17Å; D176-T178 PolarHBondContact OD1-OG1 2.82Å; D176-T178 PolarHBondContact OD2-OG1 2.86Å; D176-Y179 HydrophobicContact CB-CD2 3.6Å; D176-Y179 HydrophobicContact CB-CE2 3.97Å; D176-Y179 PolarHBondContact O-N 3.29Å |
| 177 | E | 93.7 | Very high | 95 | Very high | 122 Ų | 122 | 56.5 Ų | 56.5 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -57 | -25.3 | 179 | -68.4 | -176 | -178.1 | 0 | 0 | 112.8 | Y179 T180 E324 | E177-Y179 VanDerWaalsContact C-N 3.26Å; E177-Y179 PolarHBondContact O-N 2.9Å; E177-T180 WeakPolarHBondContact O-CB 3.25Å; E177-T180 PolarHBondContact O-N 2.75Å; E177-E324 HydrophobicContact CB-CG 4.45Å; E177-E324 HydrophobicContact CG-CB 3.53Å; E177-E324 HydrophobicContact CG-CG 3.73Å |
| 178 | T | 95.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 68% | 0.675 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -71.2 | -20.3 | 178.1 | 67 | 0 | 0 | 0 | 0 | 113.4 | D176 | D176-T178 PolarHBondContact O-N 3.4Å; D176-T178 VanDerWaalsContact O-N 3.1Å; D176-T178 WeakPolarHBondContact OD1-CB 3.34Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.33Å; D176-T178 PolarHBondContact OD1-N 3.17Å; D176-T178 PolarHBondContact OD1-OG1 2.82Å; D176-T178 PolarHBondContact OD2-OG1 2.86Å |
| 179 | Y | 96.2 | Very high | 94.5 | Very high | 127 Ų | 127 | 66.7 Ų | 66.7 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -92.8 | -9.8 | 173.9 | -61.9 | -50.9 | 0 | 0 | 0 | 113.3 | D176 E177 R181 Y199 | D176-Y179 HydrophobicContact CB-CD2 3.6Å; D176-Y179 HydrophobicContact CB-CE2 3.97Å; D176-Y179 PolarHBondContact O-N 3.29Å; E177-Y179 VanDerWaalsContact C-N 3.26Å; E177-Y179 PolarHBondContact O-N 2.9Å; Y179-R181 PolarHBondContact O-N 2.85Å; Y179-Y199 HydrophobicContact CD2-CD1 4.33Å; Y179-Y199 HydrophobicContact CG-CD1 4.11Å |
| 180 | T | 96.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | trans | -66.5 | 125 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | E177 Q196 M197 M198 E324 | E177-T180 WeakPolarHBondContact O-CB 3.25Å; E177-T180 PolarHBondContact O-N 2.75Å; T180-Q196 HydrophobicContact CG2-CB 4.04Å; T180-M197 WeakPolarHBondContact CA-O 3.4Å; T180-M198 HydrophobicContact CG2-CG 4.48Å; T180-E324 WeakPolarHBondContact CB-OE1 3.13Å; T180-E324 WeakPolarHBondContact CG2-OE1 2.97Å; T180-E324 WeakPolarHBondContact OG1-CG 3.38Å; T180-E324 PolarHBondContact OG1-OE1 3.28Å | ||
| 181 | R | 97.5 | Very high | 94.4 | Very high | 143 Ų | 143 | 75.5 Ų | 75.5 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 156.3 | -177.5 | 61.8 | -177.2 | 178.3 | -161.8 | -5.4 | 112.1 | Y179 M183 M197 | Y179-R181 PolarHBondContact O-N 2.85Å; R181-M183 HydrophobicContact CG-CG 4.15Å; R181-M183 HydrophobicContact CG-SD 4.48Å; R181-M183 PolarHBondContact O-N 3.15Å; R181-M197 PolarHBondContact N-O 3.25Å; R181-M197 VanDerWaalsContact N-O 3.09Å; R181-M197 WeakPolarHBondContact O-CB 3.37Å; R181-M197 PolarHBondContact O-N 3.29Å |
| 182 | E | 98.1 | Very high | 94.4 | Very high | 132 Ų | 132 | 81.5 Ų | 81.5 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.5 | 172.9 | -168.7 | 172.4 | 95.6 | 0 | 0 | 110.6 | P194 V195 | E182-P194 VanDerWaalsContact CD-CB 3.4Å; E182-P194 HydrophobicContact CG-CB 3.51Å; E182-V195 CarbonylContact C-O 3.11Å; E182-V195 WeakPolarHBondContact CA-O 3.48Å |
| 183 | M | 97.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 85 Ų | 85 | 15% | 0.148 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.7 | 174.4 | -69.9 | -169.1 | 57.4 | 0 | 0 | 110.5 | R181 V195 M197 L268 | R181-M183 HydrophobicContact CG-CG 4.15Å; R181-M183 HydrophobicContact CG-SD 4.48Å; R181-M183 PolarHBondContact O-N 3.15Å; M183-V195 PolarHBondContact N-O 2.92Å; M183-V195 PolarHBondContact O-N 2.95Å; M183-M197 HydrophobicContact CB-CB 3.88Å; M183-M197 HydrophobicContact CB-CE 4.49Å; M183-M197 HydrophobicContact CB-CG 4.44Å; M183-M197 HydrophobicContact CG-CB 3.88Å; M183-M197 HydrophobicContact CG-CG 4.37Å; M183-M197 HydrophobicContact SD-CB 3.92Å; M183-M197 HydrophobicContact SD-CG 3.77Å; M183-L268 HydrophobicContact CE-CD2 3.96Å; M183-L268 HydrophobicContact SD-CD2 3.63Å |
| 184 | P | 97 | Very high | 94.5 | Very high | 66 Ų | 66 | 86 Ų | 86 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.5 | 173.7 | 28.5 | -33.9 | 0 | 0 | 0 | 111 | ||
| 185 | F | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.4 | 167.4 | -171 | -86 | 0 | 0 | 0 | 109.1 | I187 Q192 R193 V195 P270 A351 D352 H353 P354 F355 F373 S374 P376 | F185-I187 HydrophobicContact CD1-CG1 4.13Å; F185-I187 PolarHBondContact O-N 3.16Å; F185-Q192 CarbonylContact O-C 3.57Å; F185-Q192 WeakPolarHBondContact O-CA 3.08Å; F185-Q192 WeakPolarHBondContact O-CB 3.3Å; F185-R193 PolarHBondContact N-O 3.45Å; F185-R193 PolarHBondContact O-N 3.13Å; F185-V195 HydrophobicContact CB-CB 4.24Å; F185-V195 HydrophobicContact CB-CG1 3.86Å; F185-V195 HydrophobicContact CD2-CG1 4.4Å; F185-P270 HydrophobicContact CD2-CG 4.15Å; F185-P270 HydrophobicContact CE2-CG 4.15Å; F185-A351 WeakPolarHBondContact CE2-O 3.31Å; F185-D352 CarbonylContact C-O 3.57Å; F185-D352 WeakPolarHBondContact CA-O 3.5Å; F185-H353 WeakPolarHBondContact CZ-O 3.29Å; F185-P354 HydrophobicContact CE1-CG 4.41Å; F185-F355 HydrophobicContact CE2-CD1 4.44Å; F185-F355 HydrophobicContact CE2-CE1 4.16Å; F185-F373 AromaticContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CE1-CD1 4.39Å; F185-F373 HydrophobicContact CE1-CE1 4.31Å; F185-F373 AromaticContact CE2-CD1 3.63Å; F185-F373 HydrophobicContact CE2-CD1 3.63Å; F185-F373 AromaticContact CE2-CE1 3.51Å; F185-F373 HydrophobicContact CE2-CE1 3.51Å; F185-F373 AromaticContact CZ-CD1 3.53Å; F185-F373 HydrophobicContact CZ-CD1 3.53Å; F185-F373 AromaticContact CZ-CE1 3.69Å; F185-F373 HydrophobicContact CZ-CE1 3.69Å; F185-S374 WeakPolarHBondContact CE1-O 3.36Å; F185-P376 HydrophobicContact CB-CG 4.26Å |
| 186 | K | 95.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 88 Ų | 88 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 95.8 | -176.7 | -51 | 168.2 | -160 | 136.5 | 0 | 109 | N188 D235 D352 H353 P354 | K186-N188 VanDerWaalsContact C-N 3.33Å; K186-D235 IonicContact NZ-OD1 3.72Å; K186-D352 WeakPolarHBondContact CE-OD2 3.4Å; K186-D352 PolarHBondContact N-O 3.21Å; K186-D352 IonicContact NZ-OD1 3.96Å; K186-D352 PolarHBondContact NZ-OD1 2.91Å; K186-D352 IonicContact NZ-OD2 2.7Å; K186-D352 PolarHBondContact NZ-OD2 2.98Å; K186-H353 HydrophobicContact CB-CB 4.14Å; K186-H353 WeakPolarHBondContact O-CA 3.35Å; K186-P354 WeakPolarHBondContact O-CD 3.49Å |
| 187 | I | 93 | Very high | 95 | Very high | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -66.2 | -41.3 | -179.6 | -62.3 | 178.5 | 0 | 0 | 0 | 110.2 | F185 E191 R193 P354 | F185-I187 HydrophobicContact CD1-CG1 4.13Å; F185-I187 PolarHBondContact O-N 3.16Å; I187-E191 HydrophobicContact CB-CB 4.48Å; I187-E191 HydrophobicContact CD1-CG 4.22Å; I187-E191 PolarHBondContact N-O 3.32Å; I187-R193 HydrophobicContact CD1-CB 4.25Å; I187-R193 HydrophobicContact CD1-CG 3.69Å; I187-P354 WeakPolarHBondContact O-CG 3.36Å |
| 188 | N | 88.7 | Confident | 95.2 | Very high | 78 Ų | 78 | 78.7 Ų | 78.7 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -154.4 | -168.8 | 174.5 | 59.2 | 55.4 | 0 | 0 | 0 | 109.2 | K186 E190 E191 | K186-N188 VanDerWaalsContact C-N 3.33Å; N188-E190 PolarHBondContact O-N 3.44Å; N188-E190 WeakPolarHBondContact OD1-CA 3.14Å; N188-E190 PolarHBondContact OD1-N 3.2Å; N188-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact OD1-N 3.04Å |
| 189 | Q | 85.6 | Confident | 95.3 | Very high | 177 Ų | 177 | 75.8 Ų | 75.8 | 83% | 0.827 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -66.3 | -21 | -178.4 | -63.8 | -176.5 | 3.7 | 0 | 0 | 114.2 | ||
| 190 | E | 88.3 | Confident | 95.3 | Very high | 193 Ų | 193 | 70.7 Ų | 70.7 | 90% | 0.902 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -110.4 | -29.7 | -173.6 | -59.4 | -177.6 | 176.5 | 0 | 0 | 112.7 | N188 | N188-E190 PolarHBondContact O-N 3.44Å; N188-E190 WeakPolarHBondContact OD1-CA 3.14Å; N188-E190 PolarHBondContact OD1-N 3.2Å |
| 191 | E | 93.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | trans | -114.9 | 130.1 | -173 | -170 | -178.8 | 179 | 0 | 0 | 112.1 | I187 N188 R193 | I187-E191 HydrophobicContact CB-CB 4.48Å; I187-E191 HydrophobicContact CD1-CG 4.22Å; I187-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact OD1-N 3.04Å; E191-R193 IonicContact OE1-CZ 3.11Å; E191-R193 IonicContact OE1-NE 2.86Å; E191-R193 PolarHBondContact OE1-NE 3.47Å; E191-R193 IonicContact OE1-NH2 2.68Å; E191-R193 PolarHBondContact OE1-NH2 3.43Å | ||
| 192 | Q | 94.5 | Very high | 95.1 | Very high | 130 Ų | 130 | 68 Ų | 68 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.7 | 168.7 | 63.7 | -178.3 | 8.1 | 0 | 0 | 110.3 | F185 | F185-Q192 CarbonylContact O-C 3.57Å; F185-Q192 WeakPolarHBondContact O-CA 3.08Å; F185-Q192 WeakPolarHBondContact O-CB 3.3Å |
| 193 | R | 96.1 | Very high | 95.1 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.4 | 176.1 | -68 | -173.4 | -168.7 | 171.8 | -0.3 | 110.9 | F185 I187 E191 S375 P376 | F185-R193 PolarHBondContact N-O 3.45Å; F185-R193 PolarHBondContact O-N 3.13Å; I187-R193 HydrophobicContact CD1-CB 4.25Å; I187-R193 HydrophobicContact CD1-CG 3.69Å; E191-R193 IonicContact OE1-CZ 3.11Å; E191-R193 IonicContact OE1-NE 2.86Å; E191-R193 PolarHBondContact OE1-NE 3.47Å; E191-R193 IonicContact OE1-NH2 2.68Å; E191-R193 PolarHBondContact OE1-NH2 3.43Å; R193-S375 PolarHBondContact NH1-OG 3.37Å; R193-P376 HydrophobicContact CB-CG 3.79Å |
| 194 | P | 97.3 | Very high | 95 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.8 | 173.3 | 27.4 | -33.1 | 0 | 0 | 0 | 110.8 | E182 | E182-P194 VanDerWaalsContact CD-CB 3.4Å; E182-P194 HydrophobicContact CG-CB 3.51Å |
| 195 | V | 97.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.8 | 171.4 | 71.8 | 0 | 0 | 0 | 0 | 110 | E182 M183 F185 M197 P270 P376 | E182-V195 CarbonylContact C-O 3.11Å; E182-V195 WeakPolarHBondContact CA-O 3.48Å; M183-V195 PolarHBondContact N-O 2.92Å; M183-V195 PolarHBondContact O-N 2.95Å; F185-V195 HydrophobicContact CB-CB 4.24Å; F185-V195 HydrophobicContact CB-CG1 3.86Å; F185-V195 HydrophobicContact CD2-CG1 4.4Å; V195-M197 HydrophobicContact CG1-CE 3.86Å; V195-M197 PolarHBondContact O-N 3.02Å; V195-P270 HydrophobicContact CG1-CG 4.5Å; V195-P270 HydrophobicContact CG2-CB 3.88Å; V195-P376 HydrophobicContact CB-CB 3.77Å; V195-P376 HydrophobicContact CB-CG 4.23Å; V195-P376 HydrophobicContact CG2-CB 3.58Å |
| 196 | Q | 97.8 | Very high | 95.1 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 110.7 | 168.9 | -64.8 | -60 | -52.5 | 0 | 0 | 108.7 | T180 K271 | T180-Q196 HydrophobicContact CG2-CB 4.04Å; Q196-K271 HydrophobicContact CB-CB 4.22Å; Q196-K271 HydrophobicContact CB-CD 4.45Å; Q196-K271 WeakPolarHBondContact O-CB 3.38Å; Q196-K271 PolarHBondContact O-N 3.33Å |
| 197 | M | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.1 | -175.7 | -170.6 | 67.3 | 72.1 | 0 | 0 | 109.4 | T180 R181 M183 V195 L268 L269 P270 D352 | T180-M197 WeakPolarHBondContact CA-O 3.4Å; R181-M197 PolarHBondContact N-O 3.25Å; R181-M197 VanDerWaalsContact N-O 3.09Å; R181-M197 WeakPolarHBondContact O-CB 3.37Å; R181-M197 PolarHBondContact O-N 3.29Å; M183-M197 HydrophobicContact CB-CB 3.88Å; M183-M197 HydrophobicContact CB-CE 4.49Å; M183-M197 HydrophobicContact CB-CG 4.44Å; M183-M197 HydrophobicContact CG-CB 3.88Å; M183-M197 HydrophobicContact CG-CG 4.37Å; M183-M197 HydrophobicContact SD-CB 3.92Å; M183-M197 HydrophobicContact SD-CG 3.77Å; V195-M197 HydrophobicContact CG1-CE 3.86Å; V195-M197 PolarHBondContact O-N 3.02Å; M197-L268 HydrophobicContact CG-CB 3.8Å; M197-L268 HydrophobicContact CG-CD2 4.17Å; M197-L268 HydrophobicContact CG-CG 4.5Å; M197-L268 VanDerWaalsContact SD-C 3.57Å; M197-L268 HydrophobicContact SD-CB 3.88Å; M197-L269 PolarHBondContact SD-N 2.91Å; M197-P270 HydrophobicContact CE-CG 3.96Å; M197-P270 HydrophobicContact SD-CG 4.01Å; M197-P270 VanDerWaalsContact SD-N 3.44Å; M197-D352 HydrophobicContact CE-CB 4.32Å |
| 198 | M | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 147.8 | 173.2 | -51.1 | -179 | -63.7 | 0 | 0 | 109 | F175 T180 L268 L269 K271 V322 E324 | F175-M198 HydrophobicContact CB-CB 4.13Å; F175-M198 HydrophobicContact CD1-CB 3.56Å; F175-M198 HydrophobicContact CD2-CB 4.5Å; F175-M198 HydrophobicContact CD2-CE 4.18Å; F175-M198 HydrophobicContact CD2-SD 4.21Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.06Å; F175-M198 HydrophobicContact CG-CB 3.82Å; F175-M198 HydrophobicContact CG-SD 4.31Å; F175-M198 HydrophobicContact CZ-CE 4.33Å; T180-M198 HydrophobicContact CG2-CG 4.48Å; M198-L268 WeakPolarHBondContact O-CA 3.05Å; M198-L269 WeakPolarHBondContact CB-O 3.48Å; M198-L269 HydrophobicContact CE-CB 4.13Å; M198-L269 HydrophobicContact CE-CD2 3.92Å; M198-L269 HydrophobicContact CE-CG 4.13Å; M198-L269 PolarHBondContact N-O 3.02Å; M198-L269 PolarHBondContact O-N 3.41Å; M198-L269 VanDerWaalsContact O-N 3.1Å; M198-K271 HydrophobicContact CG-CB 3.88Å; M198-K271 HydrophobicContact SD-CB 4.09Å; M198-V322 HydrophobicContact CE-CG1 4.06Å; M198-E324 HydrophobicContact CG-CG 3.9Å; M198-E324 HydrophobicContact SD-CB 4.43Å; M198-E324 HydrophobicContact SD-CG 3.74Å |
| 199 | Y | 97.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.9 | -178.6 | 170.7 | -91.6 | 0 | 0 | 0 | 110.9 | Y179 E266 V267 L268 | Y179-Y199 HydrophobicContact CD2-CD1 4.33Å; Y179-Y199 HydrophobicContact CG-CD1 4.11Å; Y199-E266 HydrophobicContact CE2-CB 4.44Å; Y199-V267 WeakPolarHBondContact CA-O 3.4Å; Y199-L268 HydrophobicContact CD2-CD1 4.44Å; Y199-L268 HydrophobicContact CD2-CG 4.09Å |
| 200 | Q | 96.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 156.9 | 162.8 | 68.4 | 179.4 | -47 | 0 | 0 | 110.7 | E173 F175 F204 V267 | E173-Q200 PolarHBondContact O-NE2 2.76Å; F175-Q200 HydrophobicContact CD1-CB 3.94Å; F175-Q200 HydrophobicContact CD1-CG 3.68Å; F175-Q200 HydrophobicContact CE1-CB 4.3Å; F175-Q200 HydrophobicContact CE1-CG 3.58Å; F175-Q200 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q200 HydrophobicContact CG-CG 4.45Å; F175-Q200 HydrophobicContact CZ-CG 4.26Å; Q200-F204 HydrophobicContact CG-CE2 4.11Å; Q200-F204 HydrophobicContact CG-CZ 4.46Å; Q200-V267 HydrophobicContact CG-CB 4.36Å; Q200-V267 PolarHBondContact N-O 3.25Å; Q200-V267 VanDerWaalsContact N-O 3.12Å; Q200-V267 PolarHBondContact O-N 2.89Å |
| 201 | E | 96.1 | Very high | 96 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.9 | 168.4 | -173.5 | 175.4 | -176.4 | 0 | 0 | 107.8 | E264 E266 | E201-E264 HydrophobicContact CG-CG 4.4Å; E201-E266 HydrophobicContact CG-CG 4.42Å |
| 202 | A | 95.4 | Very high | 96 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 170.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111 | F204 V265 | A202-F204 HydrophobicContact CB-CD2 4.14Å; A202-F204 HydrophobicContact CB-CE2 3.43Å; A202-F204 VanDerWaalsContact CB-CE2 3.43Å; A202-F204 HydrophobicContact CB-CZ 3.69Å; A202-F204 PolarHBondContact O-N 3.35Å; A202-V265 PolarHBondContact N-O 3.1Å; A202-V265 PolarHBondContact O-N 2.92Å |
| 203 | T | 96.7 | Very high | 96.1 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 106.9 | 178.1 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | S262 T263 | T203-S262 WeakPolarHBondContact CG2-OG 2.79Å; T203-T263 WeakPolarHBondContact CA-O 3.3Å |
| 204 | F | 97.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 167.2 | 175.5 | -63.7 | -66.2 | 0 | 0 | 0 | 112.1 | E173 Q200 A202 L217 L219 T263 V265 V267 | E173-F204 HydrophobicContact CB-CE1 4.4Å; E173-F204 HydrophobicContact CB-CZ 4.29Å; Q200-F204 HydrophobicContact CG-CE2 4.11Å; Q200-F204 HydrophobicContact CG-CZ 4.46Å; A202-F204 HydrophobicContact CB-CD2 4.14Å; A202-F204 HydrophobicContact CB-CE2 3.43Å; A202-F204 VanDerWaalsContact CB-CE2 3.43Å; A202-F204 HydrophobicContact CB-CZ 3.69Å; A202-F204 PolarHBondContact O-N 3.35Å; F204-L217 HydrophobicContact CB-CD1 3.72Å; F204-L217 HydrophobicContact CG-CD1 4.43Å; F204-L219 HydrophobicContact CD1-CD2 3.67Å; F204-L219 HydrophobicContact CD2-CD2 3.92Å; F204-L219 HydrophobicContact CE1-CD2 3.67Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; F204-L219 HydrophobicContact CG-CD2 3.8Å; F204-L219 HydrophobicContact CZ-CD2 3.78Å; F204-T263 PolarHBondContact N-O 2.82Å; F204-T263 PolarHBondContact O-N 3.33Å; F204-V265 HydrophobicContact CB-CG1 3.95Å; F204-V265 HydrophobicContact CD2-CG1 3.86Å; F204-V265 HydrophobicContact CG-CG1 4.42Å; F204-V267 HydrophobicContact CD2-CG2 3.6Å; F204-V267 HydrophobicContact CE2-CG2 3.83Å |
| 205 | K | 97.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 45 Ų | 45 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.4 | 171.9 | -83 | -179.6 | -179.3 | -177.4 | 0 | 108.8 | E218 M260 K261 | K205-E218 HydrophobicContact CB-CB 3.97Å; K205-E218 WeakPolarHBondContact CD-OE2 3.28Å; K205-E218 IonicContact NZ-OE2 3.52Å; K205-E218 PolarHBondContact O-N 3.47Å; K205-M260 HydrophobicContact CB-CB 4.13Å; K205-M260 HydrophobicContact CB-CE 4.01Å; K205-M260 HydrophobicContact CD-CB 4.37Å; K205-M260 HydrophobicContact CG-CB 4.4Å; K205-M260 WeakPolarHBondContact O-CE 3.35Å; K205-K261 WeakPolarHBondContact CA-O 3.36Å |
| 206 | L | 97.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.9 | -178.1 | -175.4 | 68.9 | 0 | 0 | 0 | 110.4 | L216 L217 K261 V265 P347 F349 | L206-L216 WeakPolarHBondContact CA-O 3.15Å; L206-L217 HydrophobicContact CD1-CB 4.33Å; L206-L217 HydrophobicContact CD1-CD1 4.21Å; L206-K261 PolarHBondContact N-O 2.88Å; L206-K261 PolarHBondContact O-N 2.76Å; L206-V265 HydrophobicContact CD2-CG2 4.23Å; L206-P347 HydrophobicContact CD2-CB 4.18Å; L206-P347 HydrophobicContact CD2-CG 4.39Å; L206-F349 HydrophobicContact CD1-CD2 3.82Å; L206-F349 HydrophobicContact CD1-CE2 4.43Å |
| 207 | A | 96.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q215 L216 C259 M260 | A207-Q215 WeakPolarHBondContact O-CA 3.41Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.38Å; A207-C259 WeakPolarHBondContact CB-O 3.39Å; A207-M260 HydrophobicContact CB-CG 4.43Å; A207-M260 HydrophobicContact CB-SD 3.36Å; A207-M260 WeakPolarHBondContact CB-SD 3.45Å |
| 208 | H | 96 | Very high | 96.1 | Very high | 112 Ų | 112 | 41 Ų | 41 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.8 | 166.6 | -179.3 | 81.6 | 0 | 0 | 0 | 108.9 | G210 D234 | H208-G210 PolarHBondContact O-N 3.08Å; H208-D234 IonicContact CE1-OD1 3.32Å; H208-D234 PolarHBondContact CE1-OD1 3.04Å; H208-D234 IonicContact CE1-OD2 3.21Å; H208-D234 PolarHBondContact CE1-OD2 3.35Å; H208-D234 IonicContact ND1-OD1 3.67Å; H208-D234 IonicContact NE2-OD2 3.96Å |
| 209 | V | 94.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 87.9 | -175.2 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | E211 V212 R213 A214 L216 W254 | V209-E211 HydrophobicContact CG1-CB 4.47Å; V209-E211 PolarHBondContact O-N 3.24Å; V209-E211 VanDerWaalsContact O-N 3.1Å; V209-V212 HydrophobicContact CB-CG2 3.92Å; V209-V212 HydrophobicContact CG1-CG2 3.68Å; V209-V212 PolarHBondContact O-N 3.25Å; V209-V212 VanDerWaalsContact O-N 3.11Å; V209-R213 PolarHBondContact O-N 3.38Å; V209-A214 PolarHBondContact N-O 2.87Å; V209-A214 PolarHBondContact O-N 3.26Å; V209-L216 HydrophobicContact CG2-CB 4.3Å; V209-W254 HydrophobicContact CG1-CD2 3.67Å; V209-W254 HydrophobicContact CG1-CE3 4.25Å; V209-W254 HydrophobicContact CG1-CG 3.99Å; V209-W254 HydrophobicContact CG1-CH2 4.27Å; V209-W254 HydrophobicContact CG1-CZ2 3.68Å; V209-W254 HydrophobicContact CG2-CB 4.19Å; V209-W254 HydrophobicContact CG2-CD2 4.11Å; V209-W254 HydrophobicContact CG2-CE3 4.38Å; V209-W254 HydrophobicContact CG2-CG 4.02Å |
| 210 | G | 91 | Very high | 96.1 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 54% | 0.536 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H208 V212 | H208-G210 PolarHBondContact O-N 3.08Å; G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.84Å |
| 211 | E | 91.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -37.6 | 177.1 | -171.3 | -169 | 157.9 | 0 | 0 | 112.9 | V209 S245 K250 | V209-E211 HydrophobicContact CG1-CB 4.47Å; V209-E211 PolarHBondContact O-N 3.24Å; V209-E211 VanDerWaalsContact O-N 3.1Å; E211-S245 PolarHBondContact OE1-OG 2.93Å; E211-K250 WeakPolarHBondContact OE1-CE 3.16Å; E211-K250 IonicContact OE1-NZ 2.63Å; E211-K250 PolarHBondContact OE1-NZ 3.49Å |
| 212 | V | 93.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 0.9 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | V209 G210 A214 V242 S245 W254 | V209-V212 HydrophobicContact CB-CG2 3.92Å; V209-V212 HydrophobicContact CG1-CG2 3.68Å; V209-V212 PolarHBondContact O-N 3.25Å; V209-V212 VanDerWaalsContact O-N 3.11Å; G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.84Å; V212-A214 HydrophobicContact CG2-CB 3.84Å; V212-V242 HydrophobicContact CB-CG2 4.25Å; V212-V242 HydrophobicContact CG2-CG1 4.39Å; V212-S245 WeakPolarHBondContact CG1-OG 3.39Å; V212-W254 HydrophobicContact CG1-CH2 3.97Å; V212-W254 HydrophobicContact CG1-CZ2 4.29Å; V212-W254 HydrophobicContact CG2-CH2 4.04Å; V212-W254 HydrophobicContact CG2-CZ2 4.43Å; V212-W254 HydrophobicContact CG2-CZ3 4.48Å |
| 213 | R | 96.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 41.8 Ų | 41.8 | 49% | 0.494 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 63 | -176.8 | -61.9 | -173.3 | -60.5 | 161.9 | 2.3 | 110.7 | V209 D234 V237 | V209-R213 PolarHBondContact O-N 3.38Å; R213-D234 VanDerWaalsContact C-CG 3.43Å; R213-D234 WeakPolarHBondContact CA-OD2 3.48Å; R213-D234 VanDerWaalsContact CB-OD2 3.31Å; R213-D234 WeakPolarHBondContact CB-OD2 3.36Å; R213-D234 VanDerWaalsContact O-CG 3.26Å; R213-D234 PolarHBondContact O-N 2.81Å; R213-V237 HydrophobicContact CB-CG1 4.48Å; R213-V237 HydrophobicContact CB-CG2 3.91Å; R213-V237 VanDerWaalsContact CZ-CG2 3.45Å |
| 214 | A | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V209 V212 L231 L232 V242 | V209-A214 PolarHBondContact N-O 2.87Å; V209-A214 PolarHBondContact O-N 3.26Å; V212-A214 HydrophobicContact CG2-CB 3.84Å; A214-L231 HydrophobicContact CB-CD1 3.86Å; A214-L231 HydrophobicContact CB-CG 4.44Å; A214-L232 CarbonylContact C-O 3.07Å; A214-L232 WeakPolarHBondContact CA-O 3.17Å; A214-L232 VanDerWaalsContact CB-O 3.28Å; A214-L232 WeakPolarHBondContact CB-O 3.37Å; A214-V242 HydrophobicContact CB-CG2 4.25Å |
| 215 | Q | 97.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 142.1 | 167.5 | -60.6 | -178.1 | -18.9 | 0 | 0 | 110.2 | A207 L231 L232 F349 | A207-Q215 WeakPolarHBondContact O-CA 3.41Å; Q215-L231 WeakPolarHBondContact O-CA 3.22Å; Q215-L232 PolarHBondContact N-O 3.25Å; Q215-L232 PolarHBondContact O-N 3.28Å; Q215-F349 HydrophobicContact CB-CD2 3.82Å; Q215-F349 HydrophobicContact CB-CE2 3.58Å; Q215-F349 VanDerWaalsContact OE1-CD2 3.26Å |
| 216 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.8 | 175.7 | -179 | 62.5 | 0 | 0 | 0 | 109.3 | L206 A207 V209 L229 V230 L231 W254 T255 M260 | L206-L216 WeakPolarHBondContact CA-O 3.15Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.38Å; V209-L216 HydrophobicContact CG2-CB 4.3Å; L216-L229 HydrophobicContact CD1-CB 4.37Å; L216-V230 WeakPolarHBondContact CA-O 3.29Å; L216-L231 HydrophobicContact CB-CD1 4.18Å; L216-L231 HydrophobicContact CD1-CB 4.1Å; L216-L231 HydrophobicContact CD1-CD1 4.13Å; L216-W254 HydrophobicContact CD2-CB 3.88Å; L216-T255 HydrophobicContact CD2-CG2 3.69Å; L216-M260 HydrophobicContact CB-SD 4.42Å; L216-M260 HydrophobicContact CD2-CE 4.46Å; L216-M260 HydrophobicContact CD2-SD 3.89Å; L216-M260 HydrophobicContact CG-CE 4.11Å; L216-M260 HydrophobicContact CG-SD 4.05Å; L216-M260 WeakPolarHBondContact O-CE 3.29Å |
| 217 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.3 | 178.2 | -179.7 | 69.8 | 0 | 0 | 0 | 110.1 | F204 L206 L219 L229 V230 V265 V267 F349 | F204-L217 HydrophobicContact CB-CD1 3.72Å; F204-L217 HydrophobicContact CG-CD1 4.43Å; L206-L217 HydrophobicContact CD1-CB 4.33Å; L206-L217 HydrophobicContact CD1-CD1 4.21Å; L217-L219 HydrophobicContact CD2-CD1 4.01Å; L217-L219 HydrophobicContact CD2-CD2 3.96Å; L217-L219 HydrophobicContact CD2-CG 3.85Å; L217-L219 HydrophobicContact CG-CD2 4.25Å; L217-L219 HydrophobicContact CG-CG 4.07Å; L217-L229 CarbonylContact O-C 3.56Å; L217-L229 VanDerWaalsContact O-CA 3.32Å; L217-L229 WeakPolarHBondContact O-CA 3.29Å; L217-V230 PolarHBondContact N-O 2.86Å; L217-V230 PolarHBondContact O-N 3Å; L217-V265 HydrophobicContact CD1-CG1 4.37Å; L217-V267 HydrophobicContact CD1-CG2 4.43Å; L217-V267 HydrophobicContact CD2-CB 4.49Å; L217-V267 HydrophobicContact CD2-CG1 3.71Å; L217-V267 HydrophobicContact CD2-CG2 3.92Å; L217-F349 HydrophobicContact CB-CD1 4.25Å; L217-F349 HydrophobicContact CB-CD2 3.81Å; L217-F349 HydrophobicContact CB-CE1 4.01Å; L217-F349 HydrophobicContact CB-CE2 3.54Å; L217-F349 HydrophobicContact CB-CG 4.15Å; L217-F349 HydrophobicContact CB-CZ 3.65Å; L217-F349 HydrophobicContact CD2-CB 4.42Å; L217-F349 HydrophobicContact CD2-CD1 3.57Å; L217-F349 HydrophobicContact CD2-CD2 4.4Å; L217-F349 HydrophobicContact CD2-CE1 3.83Å; L217-F349 HydrophobicContact CD2-CG 3.87Å; L217-F349 HydrophobicContact CD2-CZ 4.34Å; L217-F349 HydrophobicContact CG-CG 4.49Å |
| 218 | E | 98.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.1 | 170.4 | 177.1 | 176.8 | -167.6 | 0 | 0 | 110.5 | K205 P220 S227 L228 L229 M260 R360 | K205-E218 HydrophobicContact CB-CB 3.97Å; K205-E218 WeakPolarHBondContact CD-OE2 3.28Å; K205-E218 IonicContact NZ-OE2 3.52Å; K205-E218 PolarHBondContact O-N 3.47Å; E218-P220 WeakPolarHBondContact O-CD 3.46Å; E218-S227 WeakPolarHBondContact OE1-CB 3.41Å; E218-S227 PolarHBondContact OE1-OG 2.89Å; E218-L228 WeakPolarHBondContact CA-O 3.37Å; E218-L229 HydrophobicContact CB-CD2 3.63Å; E218-L229 HydrophobicContact CG-CD2 3.7Å; E218-M260 HydrophobicContact CB-CE 3.74Å; E218-R360 IonicContact OE1-NH2 3.53Å; E218-R360 PolarHBondContact OE1-NH2 2.94Å; E218-R360 IonicContact OE2-NH2 2.98Å |
| 219 | L | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 106.7 | 175.6 | -66.5 | 173.1 | 0 | 0 | 0 | 109.9 | W171 F175 F204 L217 S227 L228 V267 L269 | W171-L219 HydrophobicContact CE3-CB 4.31Å; W171-L219 HydrophobicContact CH2-CD1 4.49Å; W171-L219 HydrophobicContact CZ3-CB 3.83Å; F175-L219 HydrophobicContact CZ-CD1 4.4Å; F204-L219 HydrophobicContact CD1-CD2 3.67Å; F204-L219 HydrophobicContact CD2-CD2 3.92Å; F204-L219 HydrophobicContact CE1-CD2 3.67Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; F204-L219 HydrophobicContact CG-CD2 3.8Å; F204-L219 HydrophobicContact CZ-CD2 3.78Å; L217-L219 HydrophobicContact CD2-CD1 4.01Å; L217-L219 HydrophobicContact CD2-CD2 3.96Å; L217-L219 HydrophobicContact CD2-CG 3.85Å; L217-L219 HydrophobicContact CG-CD2 4.25Å; L217-L219 HydrophobicContact CG-CG 4.07Å; L219-S227 WeakPolarHBondContact O-CA 3.5Å; L219-L228 HydrophobicContact CB-CB 4.31Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L219-L228 PolarHBondContact N-O 3.44Å; L219-L228 PolarHBondContact O-N 2.85Å; L219-V267 HydrophobicContact CD1-CG1 4.46Å; L219-L269 HydrophobicContact CD1-CD2 3.77Å |
| 220 | P | 96.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 13% | 0.13 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.2 | 179.6 | -17.4 | 31.9 | 0 | 0 | 0 | 112 | N172 E218 K224 | N172-P220 HydrophobicContact CB-CB 4.11Å; N172-P220 VanDerWaalsContact CB-O 3.27Å; N172-P220 WeakPolarHBondContact CB-O 3.02Å; N172-P220 PolarHBondContact N-O 2.78Å; E218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-K224 HydrophobicContact CB-CB 4.33Å; P220-K224 HydrophobicContact CB-CD 4.5Å; P220-K224 HydrophobicContact CB-CG 3.89Å |
| 221 | Y | 95.5 | Very high | 96 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 169.4 | 161.3 | -69 | -78.1 | 0 | 0 | 0 | 110.3 | F167 K170 W171 R223 K224 L226 L228 I359 | F167-Y221 HydrophobicContact CE1-CE1 4.27Å; F167-Y221 HydrophobicContact CE1-CE2 4.15Å; F167-Y221 AromaticContact CE1-CZ 3.8Å; F167-Y221 HydrophobicContact CZ-CD2 4.36Å; F167-Y221 HydrophobicContact CZ-CE1 4.27Å; F167-Y221 HydrophobicContact CZ-CE2 4.04Å; F167-Y221 AromaticContact CZ-CZ 3.98Å; K170-Y221 CarbonylContact O-C 3.58Å; K170-Y221 WeakPolarHBondContact O-CA 3.5Å; K170-Y221 WeakPolarHBondContact O-CB 3.15Å; K170-Y221 WeakPolarHBondContact O-CD1 3.37Å; W171-Y221 HydrophobicContact CD2-CD1 4.36Å; W171-Y221 HydrophobicContact CD2-CE1 4.17Å; W171-Y221 AromaticContact CE3-CD1 3.77Å; W171-Y221 HydrophobicContact CE3-CD1 3.77Å; W171-Y221 AromaticContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CG 4.37Å; W171-Y221 AromaticContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE2 4.49Å; W171-Y221 AromaticContact CH2-CZ 3.69Å; W171-Y221 HydrophobicContact CZ2-CE1 4.27Å; W171-Y221 AromaticContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD2 4.41Å; W171-Y221 AromaticContact CZ3-CE1 3.45Å; W171-Y221 HydrophobicContact CZ3-CE1 3.45Å; W171-Y221 VanDerWaalsContact CZ3-CE1 3.45Å; W171-Y221 AromaticContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CG 4.39Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; Y221-R223 PolarHBondContact O-N 2.95Å; Y221-K224 VanDerWaalsContact O-CA 3.26Å; Y221-K224 WeakPolarHBondContact O-CA 3.35Å; Y221-K224 PolarHBondContact O-N 2.9Å; Y221-L226 WeakPolarHBondContact CB-O 3.38Å; Y221-L226 HydrophobicContact CD2-CB 3.74Å; Y221-L226 HydrophobicContact CG-CB 4.35Å; Y221-L226 PolarHBondContact N-O 3.24Å; Y221-L228 HydrophobicContact CE2-CB 3.93Å; Y221-I359 HydrophobicContact CE2-CG2 4.26Å |
| 222 | A | 92.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -45.8 | 137.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q83 K170 K224 T327 | Q83-A222 HydrophobicContact CB-CB 3.5Å; Q83-A222 VanDerWaalsContact CB-CB 3.5Å; Q83-A222 HydrophobicContact CG-CB 4.3Å; K170-A222 HydrophobicContact CB-CB 4.36Å; K170-A222 WeakPolarHBondContact O-CB 3.28Å; K170-A222 PolarHBondContact O-N 2.84Å; A222-K224 PolarHBondContact O-N 2.81Å; A222-T327 HydrophobicContact CB-CG2 3.36Å |
| 223 | R | 91.1 | Very high | 96.5 | Very high | 168 Ų | 168 | 26.4 Ų | 26.4 | 63% | 0.634 | 11% | 0.111 | S | C | * | . | G | 310 helix | trans | 58.6 | 10 | -174 | -59.8 | -178.4 | 176.2 | -163.2 | -2.7 | 114.6 | Q83 Y221 E225 | Q83-R223 HydrophobicContact CG-CG 3.97Å; Y221-R223 PolarHBondContact O-N 2.95Å; R223-E225 HydrophobicContact CB-CG 4.06Å; R223-E225 PolarHBondContact O-N 2.93Å; R223-E225 VanDerWaalsContact O-N 3.13Å |
| 224 | K | 93.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 22.2 Ų | 22.2 | 53% | 0.53 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | 55.3 | 27.3 | -179.5 | -49 | -173.8 | 178.1 | -176 | 0 | 112.7 | P220 Y221 A222 N362 | P220-K224 HydrophobicContact CB-CB 4.33Å; P220-K224 HydrophobicContact CB-CD 4.5Å; P220-K224 HydrophobicContact CB-CG 3.89Å; Y221-K224 VanDerWaalsContact O-CA 3.26Å; Y221-K224 WeakPolarHBondContact O-CA 3.35Å; Y221-K224 PolarHBondContact O-N 2.9Å; A222-K224 PolarHBondContact O-N 2.81Å; K224-N362 PolarHBondContact O-ND2 3.38Å |
| 225 | E | 93.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -70.8 | -41.1 | 176.7 | -65.8 | -170.3 | 109.9 | 0 | 0 | 111 | K79 Y84 R223 N362 | K79-E225 WeakPolarHBondContact CE-OE1 3.41Å; K79-E225 IonicContact NZ-OE1 2.77Å; K79-E225 PolarHBondContact NZ-OE1 2.86Å; Y84-E225 HydrophobicContact CE1-CB 4.06Å; R223-E225 HydrophobicContact CB-CG 4.06Å; R223-E225 PolarHBondContact O-N 2.93Å; R223-E225 VanDerWaalsContact O-N 3.13Å; E225-N362 PolarHBondContact O-N 2.81Å |
| 226 | L | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 155.5 | 173.8 | -53.4 | -179.6 | 0 | 0 | 0 | 109.8 | Y84 F167 Y221 I359 R360 H361 L368 | Y84-L226 HydrophobicContact CD1-CD1 3.61Å; Y84-L226 HydrophobicContact CD1-CG 3.83Å; Y84-L226 HydrophobicContact CD2-CD1 3.86Å; Y84-L226 HydrophobicContact CE1-CD1 3.8Å; Y84-L226 HydrophobicContact CE1-CD2 4.22Å; Y84-L226 HydrophobicContact CE1-CG 3.73Å; Y84-L226 HydrophobicContact CE2-CD1 4.04Å; Y84-L226 HydrophobicContact CG-CD1 3.63Å; Y84-L226 HydrophobicContact CG-CG 4.37Å; F167-L226 HydrophobicContact CD2-CD1 4.39Å; F167-L226 HydrophobicContact CE2-CD1 3.34Å; F167-L226 HydrophobicContact CZ-CD1 3.72Å; Y221-L226 WeakPolarHBondContact CB-O 3.38Å; Y221-L226 HydrophobicContact CD2-CB 3.74Å; Y221-L226 HydrophobicContact CG-CB 4.35Å; Y221-L226 PolarHBondContact N-O 3.24Å; L226-I359 HydrophobicContact CD1-CG2 4.33Å; L226-R360 CarbonylContact C-O 3.4Å; L226-R360 WeakPolarHBondContact CA-O 3.28Å; L226-H361 HydrophobicContact CD2-CB 3.76Å; L226-H361 VanDerWaalsContact CD2-CD2 3.46Å; L226-H361 WeakPolarHBondContact CD2-CD2 2.88Å; L226-L368 HydrophobicContact CD1-CD1 4.34Å; L226-L368 HydrophobicContact CD2-CD1 3.62Å |
| 227 | S | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.2 | 167.5 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | E218 L219 I359 R360 N362 | E218-S227 WeakPolarHBondContact OE1-CB 3.41Å; E218-S227 PolarHBondContact OE1-OG 2.89Å; L219-S227 WeakPolarHBondContact O-CA 3.5Å; S227-I359 WeakPolarHBondContact O-CA 3.45Å; S227-R360 PolarHBondContact N-O 2.81Å; S227-R360 PolarHBondContact O-N 2.81Å; S227-N362 PolarHBondContact OG-ND2 2.84Å; S227-N362 PolarHBondContact OG-OD1 3.39Å |
| 228 | L | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.8 | 159.9 | -179 | 70 | 0 | 0 | 0 | 108 | W171 E218 L219 Y221 V230 L269 F357 F358 I359 | W171-L228 HydrophobicContact CH2-CB 3.99Å; W171-L228 HydrophobicContact CH2-CD2 3.65Å; W171-L228 HydrophobicContact CH2-CG 4.44Å; W171-L228 HydrophobicContact CZ3-CB 3.93Å; W171-L228 HydrophobicContact CZ3-CD2 4.39Å; E218-L228 WeakPolarHBondContact CA-O 3.37Å; L219-L228 HydrophobicContact CB-CB 4.31Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L219-L228 PolarHBondContact N-O 3.44Å; L219-L228 PolarHBondContact O-N 2.85Å; Y221-L228 HydrophobicContact CE2-CB 3.93Å; L228-V230 HydrophobicContact CD2-CG2 3.79Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; L228-L269 HydrophobicContact CD2-CD2 4Å; L228-F357 HydrophobicContact CD1-CB 4.01Å; L228-F357 HydrophobicContact CD1-CD2 3.91Å; L228-F357 HydrophobicContact CD1-CG 4.38Å; L228-F358 CarbonylContact C-O 3.57Å; L228-F358 WeakPolarHBondContact CA-O 3.47Å; L228-I359 HydrophobicContact CD1-CG1 3.83Å |
| 229 | L | 98.1 | Very high | 95 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | 169.3 | -57.6 | 172.8 | 0 | 0 | 0 | 107.6 | L216 L217 E218 T255 F357 F358 R360 | L216-L229 HydrophobicContact CD1-CB 4.37Å; L217-L229 CarbonylContact O-C 3.56Å; L217-L229 VanDerWaalsContact O-CA 3.32Å; L217-L229 WeakPolarHBondContact O-CA 3.29Å; E218-L229 HydrophobicContact CB-CD2 3.63Å; E218-L229 HydrophobicContact CG-CD2 3.7Å; L229-T255 HydrophobicContact CD1-CG2 3.86Å; L229-T255 HydrophobicContact CD2-CG2 4.16Å; L229-F357 CarbonylContact O-C 3.53Å; L229-F357 WeakPolarHBondContact O-CA 3.5Å; L229-F358 HydrophobicContact CB-CB 4.23Å; L229-F358 HydrophobicContact CB-CD2 4.42Å; L229-F358 HydrophobicContact CD1-CB 4.43Å; L229-F358 PolarHBondContact N-O 3.39Å; L229-F358 PolarHBondContact O-N 2.92Å; L229-R360 HydrophobicContact CD1-CB 4.35Å |
| 230 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.5 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | L216 L217 L228 L269 F349 F355 | L216-V230 WeakPolarHBondContact CA-O 3.29Å; L217-V230 PolarHBondContact N-O 2.86Å; L217-V230 PolarHBondContact O-N 3Å; L228-V230 HydrophobicContact CD2-CG2 3.79Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; V230-L269 HydrophobicContact CG2-CD1 4.11Å; V230-F349 HydrophobicContact CB-CE1 4.06Å; V230-F349 HydrophobicContact CB-CZ 3.82Å; V230-F349 HydrophobicContact CG1-CE1 3.81Å; V230-F349 HydrophobicContact CG1-CZ 3.68Å; V230-F355 HydrophobicContact CG1-CB 4.32Å; V230-F355 HydrophobicContact CG1-CD2 3.62Å; V230-F355 HydrophobicContact CG1-CE2 4.06Å; V230-F355 HydrophobicContact CG1-CG 3.99Å |
| 231 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 102.1 | 177.2 | -176.6 | 65 | 0 | 0 | 0 | 108.3 | A214 Q215 L216 V242 L246 W254 L356 | A214-L231 HydrophobicContact CB-CD1 3.86Å; A214-L231 HydrophobicContact CB-CG 4.44Å; Q215-L231 WeakPolarHBondContact O-CA 3.22Å; L216-L231 HydrophobicContact CB-CD1 4.18Å; L216-L231 HydrophobicContact CD1-CB 4.1Å; L216-L231 HydrophobicContact CD1-CD1 4.13Å; L231-V242 HydrophobicContact CD2-CG1 3.37Å; L231-V242 HydrophobicContact CG-CG1 3.86Å; L231-L246 HydrophobicContact CD2-CD1 4.27Å; L231-W254 HydrophobicContact CD2-CZ3 4.15Å; L231-L356 HydrophobicContact CB-CB 4.33Å; L231-L356 PolarHBondContact N-O 2.93Å; L231-L356 PolarHBondContact O-N 2.81Å |
| 232 | L | 98.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.4 | -171.8 | 178.8 | 67.9 | 0 | 0 | 0 | 109.3 | A214 Q215 F349 C350 A351 H353 F355 | A214-L232 CarbonylContact C-O 3.07Å; A214-L232 WeakPolarHBondContact CA-O 3.17Å; A214-L232 VanDerWaalsContact CB-O 3.28Å; A214-L232 WeakPolarHBondContact CB-O 3.37Å; Q215-L232 PolarHBondContact N-O 3.25Å; Q215-L232 PolarHBondContact O-N 3.28Å; L232-F349 HydrophobicContact CB-CE1 4.35Å; L232-F349 HydrophobicContact CB-CE2 3.89Å; L232-F349 HydrophobicContact CB-CZ 3.55Å; L232-F349 HydrophobicContact CD2-CD1 4.33Å; L232-F349 HydrophobicContact CD2-CD2 4.4Å; L232-F349 HydrophobicContact CD2-CE1 4Å; L232-F349 HydrophobicContact CD2-CE2 4.08Å; L232-F349 HydrophobicContact CD2-CZ 3.87Å; L232-F349 HydrophobicContact CG-CZ 4.37Å; L232-C350 WeakPolarHBondContact CD2-O 3.41Å; L232-A351 HydrophobicContact CD1-CB 4.3Å; L232-A351 HydrophobicContact CD2-CB 4.41Å; L232-H353 WeakPolarHBondContact CD1-NE2 3.46Å; L232-F355 HydrophobicContact CB-CB 4.47Å; L232-F355 HydrophobicContact CD1-CB 3.86Å; L232-F355 HydrophobicContact CD1-CD1 4.46Å |
| 233 | P | 97.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 154.8 | 172.6 | -19.4 | 30.4 | 0 | 0 | 0 | 112.3 | V237 L239 V242 H353 P354 | P233-V237 HydrophobicContact CB-CB 3.95Å; P233-V237 HydrophobicContact CB-CG1 4.2Å; P233-V237 WeakPolarHBondContact CB-O 3.35Å; P233-L239 HydrophobicContact CG-CB 4.22Å; P233-L239 HydrophobicContact CG-CD1 3.49Å; P233-L239 VanDerWaalsContact CG-CD1 3.49Å; P233-L239 HydrophobicContact CG-CG 4.49Å; P233-V242 HydrophobicContact CB-CG2 4.21Å; P233-V242 HydrophobicContact CG-CG2 3.91Å; P233-H353 PolarHBondContact O-NE2 3.42Å; P233-P354 WeakPolarHBondContact CD-O 3.41Å |
| 234 | D | 96.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 160.1 | 168.7 | -58.3 | -30.3 | 0 | 0 | 0 | 110.4 | H208 R213 G236 V237 | H208-D234 IonicContact CE1-OD1 3.32Å; H208-D234 PolarHBondContact CE1-OD1 3.04Å; H208-D234 IonicContact CE1-OD2 3.21Å; H208-D234 PolarHBondContact CE1-OD2 3.35Å; H208-D234 IonicContact ND1-OD1 3.67Å; H208-D234 IonicContact NE2-OD2 3.96Å; R213-D234 VanDerWaalsContact C-CG 3.43Å; R213-D234 WeakPolarHBondContact CA-OD2 3.48Å; R213-D234 VanDerWaalsContact CB-OD2 3.31Å; R213-D234 WeakPolarHBondContact CB-OD2 3.36Å; R213-D234 VanDerWaalsContact O-CG 3.26Å; R213-D234 PolarHBondContact O-N 2.81Å; D234-G236 PolarHBondContact O-N 3.28Å; D234-V237 HydrophobicContact CB-CG2 3.96Å; D234-V237 VanDerWaalsContact O-CB 3.26Å; D234-V237 WeakPolarHBondContact O-CB 3.21Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; D234-V237 PolarHBondContact O-N 2.99Å |
| 235 | D | 91.7 | Very high | 94.7 | Very high | 130 Ų | 130 | 35.8 Ų | 35.8 | 70% | 0.695 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 132 | 175.1 | -74.9 | -46.1 | 0 | 0 | 0 | 111.8 | K186 V237 | K186-D235 IonicContact NZ-OD1 3.72Å; D235-V237 VanDerWaalsContact C-N 3.28Å; D235-V237 PolarHBondContact O-N 3.45Å |
| 236 | G | 88.4 | Confident | 94.9 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 80% | 0.804 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D234 | D234-G236 PolarHBondContact O-N 3.28Š|
| 237 | V | 92.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | trans | -101.4 | 117 | 173.3 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | R213 P233 D234 D235 L239 | R213-V237 HydrophobicContact CB-CG1 4.48Å; R213-V237 HydrophobicContact CB-CG2 3.91Å; R213-V237 VanDerWaalsContact CZ-CG2 3.45Å; P233-V237 HydrophobicContact CB-CB 3.95Å; P233-V237 HydrophobicContact CB-CG1 4.2Å; P233-V237 WeakPolarHBondContact CB-O 3.35Å; D234-V237 HydrophobicContact CB-CG2 3.96Å; D234-V237 VanDerWaalsContact O-CB 3.26Å; D234-V237 WeakPolarHBondContact O-CB 3.21Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; D234-V237 PolarHBondContact O-N 2.99Å; D235-V237 VanDerWaalsContact C-N 3.28Å; D235-V237 PolarHBondContact O-N 3.45Å; V237-L239 PolarHBondContact O-N 3.12Å | ||
| 238 | E | 91.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 37.2 Ų | 37.2 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | trans | -64.3 | 131.2 | 174.5 | -64.8 | -61.2 | 140.2 | 0 | 0 | 111.2 | S240 T241 | E238-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact O-N 3.08Å; E238-T241 VanDerWaalsContact O-CB 3.23Å; E238-T241 WeakPolarHBondContact O-CB 3.14Å; E238-T241 PolarHBondContact O-N 3.3Å; E238-T241 PolarHBondContact O-OG1 3.11Å; E238-T241 VanDerWaalsContact O-OG1 3.09Å | ||
| 239 | L | 94.1 | Very high | 94.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54 | -32.8 | 178.8 | -174.2 | 65.7 | 0 | 0 | 0 | 112.7 | P233 V237 T241 V242 E243 P354 L356 R372 | P233-L239 HydrophobicContact CG-CB 4.22Å; P233-L239 HydrophobicContact CG-CD1 3.49Å; P233-L239 VanDerWaalsContact CG-CD1 3.49Å; P233-L239 HydrophobicContact CG-CG 4.49Å; V237-L239 PolarHBondContact O-N 3.12Å; L239-T241 PolarHBondContact O-N 3Å; L239-T241 VanDerWaalsContact O-N 3.12Å; L239-V242 HydrophobicContact CD1-CB 4.48Å; L239-V242 WeakPolarHBondContact O-CA 3.22Å; L239-V242 WeakPolarHBondContact O-CB 3.4Å; L239-V242 PolarHBondContact O-N 3.36Å; L239-E243 HydrophobicContact CG-CG 4.3Å; L239-E243 PolarHBondContact O-N 3.43Å; L239-P354 HydrophobicContact CB-CB 4.38Å; L239-P354 HydrophobicContact CD2-CB 3.82Å; L239-L356 HydrophobicContact CD1-CG 4.04Å; L239-L356 HydrophobicContact CD2-CD2 4.34Å; L239-R372 VanDerWaalsContact CD2-CD 3.42Å; L239-R372 HydrophobicContact CD2-CG 3.61Å |
| 240 | S | 91.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -25.8 | 176.9 | 70 | 0 | 0 | 0 | 0 | 113.6 | E238 E243 K244 | E238-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact O-N 3.08Å; S240-E243 WeakPolarHBondContact CA-OE2 3.5Å; S240-K244 WeakPolarHBondContact O-CB 3.35Å; S240-K244 WeakPolarHBondContact O-CD 3.5Å; S240-K244 WeakPolarHBondContact O-CG 3.41Å; S240-K244 PolarHBondContact O-N 3.29Å |
| 241 | T | 92.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 173.8 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | E238 L239 S245 | E238-T241 VanDerWaalsContact O-CB 3.23Å; E238-T241 WeakPolarHBondContact O-CB 3.14Å; E238-T241 PolarHBondContact O-N 3.3Å; E238-T241 PolarHBondContact O-OG1 3.11Å; E238-T241 VanDerWaalsContact O-OG1 3.09Å; L239-T241 PolarHBondContact O-N 3Å; L239-T241 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-N 2.79Å |
| 242 | V | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -48.7 | 176.9 | -176 | 0 | 0 | 0 | 0 | 109.7 | V212 A214 L231 P233 L239 K244 S245 L246 L356 | V212-V242 HydrophobicContact CB-CG2 4.25Å; V212-V242 HydrophobicContact CG2-CG1 4.39Å; A214-V242 HydrophobicContact CB-CG2 4.25Å; L231-V242 HydrophobicContact CD2-CG1 3.37Å; L231-V242 HydrophobicContact CG-CG1 3.86Å; P233-V242 HydrophobicContact CB-CG2 4.21Å; P233-V242 HydrophobicContact CG-CG2 3.91Å; L239-V242 HydrophobicContact CD1-CB 4.48Å; L239-V242 WeakPolarHBondContact O-CA 3.22Å; L239-V242 WeakPolarHBondContact O-CB 3.4Å; L239-V242 PolarHBondContact O-N 3.36Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.99Å; V242-S245 PolarHBondContact O-N 3.48Å; V242-L246 WeakPolarHBondContact O-CB 3.44Å; V242-L246 PolarHBondContact O-N 3.01Å; V242-L356 HydrophobicContact CG1-CD1 4.5Å |
| 243 | E | 94.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.1 | -46.7 | 178.5 | -70.7 | 174.3 | 155.9 | 0 | 0 | 111.9 | K17 C20 L239 S240 L246 L356 R372 | K17-E243 WeakPolarHBondContact CE-O 3.33Å; C20-E243 WeakPolarHBondContact CB-OE1 3.34Å; C20-E243 PolarHBondContact SG-OE1 2.92Å; L239-E243 HydrophobicContact CG-CG 4.3Å; L239-E243 PolarHBondContact O-N 3.43Å; S240-E243 WeakPolarHBondContact CA-OE2 3.5Å; E243-L246 PolarHBondContact O-N 3.45Å; E243-L356 HydrophobicContact CG-CD1 4.06Å; E243-L356 HydrophobicContact CG-CD2 4.22Å; E243-L356 HydrophobicContact CG-CG 4.48Å; E243-R372 WeakPolarHBondContact OE1-CD 3.36Å; E243-R372 IonicContact OE1-CZ 2.81Å; E243-R372 IonicContact OE1-NH1 2.87Å; E243-R372 PolarHBondContact OE1-NH1 2.91Å; E243-R372 VanDerWaalsContact OE1-NH1 3.15Å |
| 244 | K | 93.4 | Very high | 94 | Very high | 160 Ų | 160 | 51.6 Ų | 51.6 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | -179.9 | -75.8 | 168.4 | -173.9 | 170.3 | 0 | 112.2 | K17 S240 V242 | K17-K244 PolarHBondContact NZ-O 3.46Å; S240-K244 WeakPolarHBondContact O-CB 3.35Å; S240-K244 WeakPolarHBondContact O-CD 3.5Å; S240-K244 WeakPolarHBondContact O-CG 3.41Å; S240-K244 PolarHBondContact O-N 3.29Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.99Å |
| 245 | S | 94.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 50 Ų | 50 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.3 | -24.3 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 113.5 | E211 V212 T241 V242 T247 K250 | E211-S245 PolarHBondContact OE1-OG 2.93Å; V212-S245 WeakPolarHBondContact CG1-OG 3.39Å; T241-S245 PolarHBondContact O-N 2.79Å; V242-S245 PolarHBondContact O-N 3.48Å; S245-T247 PolarHBondContact O-N 2.83Å; S245-K250 VanDerWaalsContact O-CD 3.31Å; S245-K250 WeakPolarHBondContact O-CD 3.28Å; S245-K250 PolarHBondContact O-NZ 3.27Å; S245-K250 PolarHBondContact OG-NZ 3.21Å |
| 246 | L | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -59.4 | 129 | -175.3 | -175.5 | 65.9 | 0 | 0 | 0 | 112.7 | I13 L16 K17 L231 V242 E243 L251 W254 L356 F358 | I13-L246 HydrophobicContact CD1-CD2 3.81Å; I13-L246 HydrophobicContact CD1-CG 4.1Å; I13-L246 HydrophobicContact CG2-CD2 4.31Å; I13-L246 HydrophobicContact CG2-CG 4.05Å; I13-L246 WeakPolarHBondContact CG2-O 3.27Å; L16-L246 HydrophobicContact CD2-CD2 4.43Å; K17-L246 VanDerWaalsContact CE-O 3.27Å; K17-L246 WeakPolarHBondContact CE-O 3.32Å; K17-L246 PolarHBondContact NZ-O 3.05Å; L231-L246 HydrophobicContact CD2-CD1 4.27Å; V242-L246 WeakPolarHBondContact O-CB 3.44Å; V242-L246 PolarHBondContact O-N 3.01Å; E243-L246 PolarHBondContact O-N 3.45Å; L246-L251 HydrophobicContact CD1-CB 4.18Å; L246-W254 HydrophobicContact CD1-CH2 4.34Å; L246-W254 HydrophobicContact CD1-CZ3 3.73Å; L246-L356 HydrophobicContact CD2-CD1 3.72Å; L246-F358 HydrophobicContact CD2-CE1 4.46Å; L246-F358 HydrophobicContact CD2-CZ 3.75Å | ||
| 247 | T | 96.4 | Very high | 94 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | trans | -133.6 | 160.2 | 166.6 | 69.7 | 0 | 0 | 0 | 0 | 109 | S245 E249 K250 L251 | S245-T247 PolarHBondContact O-N 2.83Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.74Å; T247-K250 HydrophobicContact CG2-CD 4.47Å; T247-K250 PolarHBondContact O-N 3.36Å; T247-K250 WeakPolarHBondContact OG1-CB 3.32Å; T247-K250 VanDerWaalsContact OG1-CG 3.3Å; T247-K250 WeakPolarHBondContact OG1-CG 3.49Å; T247-K250 PolarHBondContact OG1-N 3.01Å; T247-K250 VanDerWaalsContact OG1-N 3.12Å; T247-L251 PolarHBondContact O-N 2.89Å | ||
| 248 | F | 95.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.8 | -176.8 | -112.7 | 0 | 0 | 0 | 112.2 | I13 L251 T252 I367 | I13-F248 HydrophobicContact CG1-CB 4.05Å; F248-L251 PolarHBondContact O-N 2.67Å; F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.43Å; F248-T252 PolarHBondContact O-OG1 3.27Å; F248-I367 HydrophobicContact CD2-CD1 3.67Å; F248-I367 HydrophobicContact CE2-CD1 3.64Å; F248-I367 HydrophobicContact CE2-CG1 3.99Å |
| 249 | E | 94.9 | Very high | 93.8 | Very high | 158 Ų | 158 | 55.1 Ų | 55.1 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.3 | -47.8 | 173.7 | -177.1 | -176.9 | -178.2 | 0 | 0 | 111.4 | T247 T252 A253 | T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.74Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.68Å |
| 250 | K | 95.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.6 | -77.7 | 178.5 | -175.7 | -176 | 0 | 111.9 | E211 S245 T247 T252 A253 W254 | E211-K250 WeakPolarHBondContact OE1-CE 3.16Å; E211-K250 IonicContact OE1-NZ 2.63Å; E211-K250 PolarHBondContact OE1-NZ 3.49Å; S245-K250 VanDerWaalsContact O-CD 3.31Å; S245-K250 WeakPolarHBondContact O-CD 3.28Å; S245-K250 PolarHBondContact O-NZ 3.27Å; S245-K250 PolarHBondContact OG-NZ 3.21Å; T247-K250 HydrophobicContact CG2-CD 4.47Å; T247-K250 PolarHBondContact O-N 3.36Å; T247-K250 WeakPolarHBondContact OG1-CB 3.32Å; T247-K250 VanDerWaalsContact OG1-CG 3.3Å; T247-K250 WeakPolarHBondContact OG1-CG 3.49Å; T247-K250 PolarHBondContact OG1-N 3.01Å; T247-K250 VanDerWaalsContact OG1-N 3.12Å; K250-T252 VanDerWaalsContact C-N 3.27Å; K250-T252 PolarHBondContact O-N 3.09Å; K250-A253 WeakPolarHBondContact O-CB 3.44Å; K250-A253 PolarHBondContact O-N 3.21Å; K250-A253 VanDerWaalsContact O-N 3.07Å; K250-W254 HydrophobicContact CB-CD2 4.25Å; K250-W254 HydrophobicContact CB-CH2 3.95Å; K250-W254 HydrophobicContact CB-CZ2 3.6Å; K250-W254 HydrophobicContact CB-CZ3 4.39Å; K250-W254 HydrophobicContact CD-CH2 4.24Å; K250-W254 HydrophobicContact CD-CZ2 3.81Å; K250-W254 HydrophobicContact CG-CZ2 4.05Å; K250-W254 WeakPolarHBondContact O-CB 3.25Å; K250-W254 VanDerWaalsContact O-CD2 3.24Å; K250-W254 PolarHBondContact O-N 3.39Å |
| 251 | L | 96.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 177.2 | -177.2 | 63.1 | 0 | 0 | 0 | 111.7 | I13 L246 T247 F248 T255 F358 I367 | I13-L251 HydrophobicContact CD1-CD2 4.5Å; L246-L251 HydrophobicContact CD1-CB 4.18Å; T247-L251 PolarHBondContact O-N 2.89Å; F248-L251 PolarHBondContact O-N 2.67Å; L251-T255 HydrophobicContact CD1-CG2 4.3Å; L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.48Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 VanDerWaalsContact O-N 3.11Å; L251-T255 PolarHBondContact O-OG1 2.85Å; L251-F358 HydrophobicContact CD1-CD2 4.46Å; L251-F358 HydrophobicContact CD1-CE2 4.45Å; L251-F358 HydrophobicContact CD2-CD1 4.11Å; L251-F358 HydrophobicContact CD2-CD2 4.2Å; L251-F358 HydrophobicContact CD2-CE1 4.21Å; L251-F358 HydrophobicContact CD2-CE2 4.31Å; L251-F358 HydrophobicContact CD2-CG 4.13Å; L251-F358 HydrophobicContact CD2-CZ 4.33Å; L251-I367 HydrophobicContact CD2-CD1 3.87Å |
| 252 | T | 94 | Very high | 94 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | F248 E249 K250 T255 K256 | F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.43Å; F248-T252 PolarHBondContact O-OG1 3.27Å; E249-T252 PolarHBondContact O-N 3.41Å; K250-T252 VanDerWaalsContact C-N 3.27Å; K250-T252 PolarHBondContact O-N 3.09Å; T252-T255 PolarHBondContact O-N 2.92Å; T252-T255 PolarHBondContact O-OG1 3.06Å; T252-K256 WeakPolarHBondContact O-CG 3.44Å; T252-K256 PolarHBondContact O-N 3.22Å |
| 253 | A | 94.4 | Very high | 94 | Very high | 36 Ų | 36 | 63 Ų | 63 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E249 K250 T255 K256 C259 | E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.68Å; K250-A253 WeakPolarHBondContact O-CB 3.44Å; K250-A253 PolarHBondContact O-N 3.21Å; K250-A253 VanDerWaalsContact O-N 3.07Å; A253-T255 PolarHBondContact O-N 3.01Å; A253-K256 WeakPolarHBondContact O-CB 3.19Å; A253-K256 PolarHBondContact O-N 3.11Å; A253-C259 PolarHBondContact O-SG 3.35Å |
| 254 | W | 94.9 | Very high | 94 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -28.2 | -179.5 | -56.3 | -25.3 | 0 | 0 | 0 | 112.8 | V209 V212 L216 L231 L246 K250 C259 M260 | V209-W254 HydrophobicContact CG1-CD2 3.67Å; V209-W254 HydrophobicContact CG1-CE3 4.25Å; V209-W254 HydrophobicContact CG1-CG 3.99Å; V209-W254 HydrophobicContact CG1-CH2 4.27Å; V209-W254 HydrophobicContact CG1-CZ2 3.68Å; V209-W254 HydrophobicContact CG2-CB 4.19Å; V209-W254 HydrophobicContact CG2-CD2 4.11Å; V209-W254 HydrophobicContact CG2-CE3 4.38Å; V209-W254 HydrophobicContact CG2-CG 4.02Å; V212-W254 HydrophobicContact CG1-CH2 3.97Å; V212-W254 HydrophobicContact CG1-CZ2 4.29Å; V212-W254 HydrophobicContact CG2-CH2 4.04Å; V212-W254 HydrophobicContact CG2-CZ2 4.43Å; V212-W254 HydrophobicContact CG2-CZ3 4.48Å; L216-W254 HydrophobicContact CD2-CB 3.88Å; L231-W254 HydrophobicContact CD2-CZ3 4.15Å; L246-W254 HydrophobicContact CD1-CH2 4.34Å; L246-W254 HydrophobicContact CD1-CZ3 3.73Å; K250-W254 HydrophobicContact CB-CD2 4.25Å; K250-W254 HydrophobicContact CB-CH2 3.95Å; K250-W254 HydrophobicContact CB-CZ2 3.6Å; K250-W254 HydrophobicContact CB-CZ3 4.39Å; K250-W254 HydrophobicContact CD-CH2 4.24Å; K250-W254 HydrophobicContact CD-CZ2 3.81Å; K250-W254 HydrophobicContact CG-CZ2 4.05Å; K250-W254 WeakPolarHBondContact O-CB 3.25Å; K250-W254 VanDerWaalsContact O-CD2 3.24Å; K250-W254 PolarHBondContact O-N 3.39Å; W254-C259 WeakPolarHBondContact O-CB 3.49Å; W254-M260 WeakPolarHBondContact O-CG 3.46Å |
| 255 | T | 94.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 7.1 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | L216 L229 L251 T252 A253 R360 | L216-T255 HydrophobicContact CD2-CG2 3.69Å; L229-T255 HydrophobicContact CD1-CG2 3.86Å; L229-T255 HydrophobicContact CD2-CG2 4.16Å; L251-T255 HydrophobicContact CD1-CG2 4.3Å; L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.48Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 VanDerWaalsContact O-N 3.11Å; L251-T255 PolarHBondContact O-OG1 2.85Å; T252-T255 PolarHBondContact O-N 2.92Å; T252-T255 PolarHBondContact O-OG1 3.06Å; A253-T255 PolarHBondContact O-N 3.01Å; T255-R360 PolarHBondContact OG1-NH1 3.39Å |
| 256 | K | 92.9 | Very high | 94.3 | Very high | 113 Ų | 113 | 59.9 Ų | 59.9 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -63.6 | 147.8 | 173.8 | -74.2 | -178 | 179.7 | 178.3 | 0 | 110.7 | T252 A253 D258 C259 M260 | T252-K256 WeakPolarHBondContact O-CG 3.44Å; T252-K256 PolarHBondContact O-N 3.22Å; A253-K256 WeakPolarHBondContact O-CB 3.19Å; A253-K256 PolarHBondContact O-N 3.11Å; K256-D258 PolarHBondContact O-N 3.08Å; K256-D258 VanDerWaalsContact O-N 3.12Å; K256-C259 PolarHBondContact O-N 2.96Å; K256-M260 PolarHBondContact O-N 3.47Å |
| 257 | P | 89.7 | Confident | 94.4 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -34 | 178.3 | -27.9 | 35.6 | 0 | 0 | 0 | 114.3 | C259 | P257-C259 VanDerWaalsContact C-N 3.28Å; P257-C259 PolarHBondContact O-N 3.12Å |
| 258 | D | 89.4 | Confident | 94.5 | Very high | 156 Ų | 156 | 57.5 Ų | 57.5 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.7 | -179.7 | -55.7 | -31 | 0 | 0 | 0 | 113.2 | K256 | K256-D258 PolarHBondContact O-N 3.08Å; K256-D258 VanDerWaalsContact O-N 3.12Å |
| 259 | C | 90.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 57 Ų | 57 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -33.3 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | A207 A253 W254 K256 P257 | A207-C259 WeakPolarHBondContact CB-O 3.39Å; A253-C259 PolarHBondContact O-SG 3.35Å; W254-C259 WeakPolarHBondContact O-CB 3.49Å; K256-C259 PolarHBondContact O-N 2.96Å; P257-C259 VanDerWaalsContact C-N 3.28Å; P257-C259 PolarHBondContact O-N 3.12Å |
| 260 | M | 92.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -95.4 | 106.6 | -176.1 | -63 | -71.9 | -75.3 | 0 | 0 | 110.7 | K205 A207 L216 E218 W254 K256 | K205-M260 HydrophobicContact CB-CB 4.13Å; K205-M260 HydrophobicContact CB-CE 4.01Å; K205-M260 HydrophobicContact CD-CB 4.37Å; K205-M260 HydrophobicContact CG-CB 4.4Å; K205-M260 WeakPolarHBondContact O-CE 3.35Å; A207-M260 HydrophobicContact CB-CG 4.43Å; A207-M260 HydrophobicContact CB-SD 3.36Å; A207-M260 WeakPolarHBondContact CB-SD 3.45Å; L216-M260 HydrophobicContact CB-SD 4.42Å; L216-M260 HydrophobicContact CD2-CE 4.46Å; L216-M260 HydrophobicContact CD2-SD 3.89Å; L216-M260 HydrophobicContact CG-CE 4.11Å; L216-M260 HydrophobicContact CG-SD 4.05Å; L216-M260 WeakPolarHBondContact O-CE 3.29Å; E218-M260 HydrophobicContact CB-CE 3.74Å; W254-M260 WeakPolarHBondContact O-CG 3.46Å; K256-M260 PolarHBondContact O-N 3.47Å |
| 261 | K | 92.6 | Very high | 94.8 | Very high | 151 Ų | 151 | 50.5 Ų | 50.5 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139.4 | 179.7 | -64.9 | -178.4 | -178 | 177.9 | 0 | 110.4 | K205 L206 T263 | K205-K261 WeakPolarHBondContact CA-O 3.36Å; L206-K261 PolarHBondContact N-O 2.88Å; L206-K261 PolarHBondContact O-N 2.76Å; K261-T263 PolarHBondContact O-N 2.77Å; K261-T263 PolarHBondContact O-OG1 3.09Å |
| 262 | S | 95.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 120.7 | 166.8 | -158.6 | 0 | 0 | 0 | 0 | 107.8 | T203 | T203-S262 WeakPolarHBondContact CG2-OG 2.79Å |
| 263 | T | 94.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 55 Ų | 55 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 131.6 | -169.1 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | T203 F204 K261 V265 P347 | T203-T263 WeakPolarHBondContact CA-O 3.3Å; F204-T263 PolarHBondContact N-O 2.82Å; F204-T263 PolarHBondContact O-N 3.33Å; K261-T263 PolarHBondContact O-N 2.77Å; K261-T263 PolarHBondContact O-OG1 3.09Å; T263-V265 PolarHBondContact O-N 3.42Å; T263-P347 HydrophobicContact CG2-CG 3.35Å |
| 264 | E | 96.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 118.5 | 167.6 | -172.9 | 166.1 | -145 | 0 | 0 | 107.9 | E201 P347 | E201-E264 HydrophobicContact CG-CG 4.4Å; E264-P347 WeakPolarHBondContact O-CD 3.44Å; E264-P347 WeakPolarHBondContact O-CG 3.26Å |
| 265 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.3 | -168.2 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | A202 F204 L206 L217 T263 V267 P347 F349 | A202-V265 PolarHBondContact N-O 3.1Å; A202-V265 PolarHBondContact O-N 2.92Å; F204-V265 HydrophobicContact CB-CG1 3.95Å; F204-V265 HydrophobicContact CD2-CG1 3.86Å; F204-V265 HydrophobicContact CG-CG1 4.42Å; L206-V265 HydrophobicContact CD2-CG2 4.23Å; L217-V265 HydrophobicContact CD1-CG1 4.37Å; T263-V265 PolarHBondContact O-N 3.42Å; V265-V267 HydrophobicContact CG1-CG2 3.87Å; V265-V267 HydrophobicContact CG2-CG2 4.35Å; V265-V267 PolarHBondContact O-N 2.8Å; V265-P347 WeakPolarHBondContact CA-O 3.27Å; V265-P347 HydrophobicContact CB-CG 4.41Å; V265-P347 VanDerWaalsContact CG2-O 3.29Å; V265-P347 WeakPolarHBondContact CG2-O 3.27Å; V265-F349 HydrophobicContact CG2-CB 3.93Å |
| 266 | E | 97.4 | Very high | 94.6 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 112.6 | 166.6 | -65.7 | -177.9 | 111.4 | 0 | 0 | 108.8 | Y199 E201 P347 R348 F349 | Y199-E266 HydrophobicContact CE2-CB 4.44Å; E201-E266 HydrophobicContact CG-CG 4.42Å; E266-P347 PolarHBondContact N-O 3.32Å; E266-P347 VanDerWaalsContact N-O 3.11Å; E266-R348 HydrophobicContact CB-CB 4.29Å; E266-R348 HydrophobicContact CB-CG 4.09Å; E266-F349 PolarHBondContact O-N 3.32Å |
| 267 | V | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.4 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | F175 Y199 Q200 F204 L217 L219 V265 L269 | F175-V267 HydrophobicContact CE1-CG1 4.16Å; F175-V267 HydrophobicContact CZ-CG1 4.19Å; Y199-V267 WeakPolarHBondContact CA-O 3.4Å; Q200-V267 HydrophobicContact CG-CB 4.36Å; Q200-V267 PolarHBondContact N-O 3.25Å; Q200-V267 VanDerWaalsContact N-O 3.12Å; Q200-V267 PolarHBondContact O-N 2.89Å; F204-V267 HydrophobicContact CD2-CG2 3.6Å; F204-V267 HydrophobicContact CE2-CG2 3.83Å; L217-V267 HydrophobicContact CD1-CG2 4.43Å; L217-V267 HydrophobicContact CD2-CB 4.49Å; L217-V267 HydrophobicContact CD2-CG1 3.71Å; L217-V267 HydrophobicContact CD2-CG2 3.92Å; L219-V267 HydrophobicContact CD1-CG1 4.46Å; V265-V267 HydrophobicContact CG1-CG2 3.87Å; V265-V267 HydrophobicContact CG2-CG2 4.35Å; V265-V267 PolarHBondContact O-N 2.8Å; V267-L269 HydrophobicContact CG1-CB 4.33Å |
| 268 | L | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.1 | 166.7 | -59.1 | 90.3 | 0 | 0 | 0 | 108.8 | M183 M197 M198 Y199 R348 F349 C350 A351 | M183-L268 HydrophobicContact CE-CD2 3.96Å; M183-L268 HydrophobicContact SD-CD2 3.63Å; M197-L268 HydrophobicContact CG-CB 3.8Å; M197-L268 HydrophobicContact CG-CD2 4.17Å; M197-L268 HydrophobicContact CG-CG 4.5Å; M197-L268 VanDerWaalsContact SD-C 3.57Å; M197-L268 HydrophobicContact SD-CB 3.88Å; M198-L268 WeakPolarHBondContact O-CA 3.05Å; Y199-L268 HydrophobicContact CD2-CD1 4.44Å; Y199-L268 HydrophobicContact CD2-CG 4.09Å; L268-R348 HydrophobicContact CD1-CG 3.86Å; L268-R348 VanDerWaalsContact CD1-NE 3.35Å; L268-F349 PolarHBondContact N-O 2.82Å; L268-C350 HydrophobicContact CB-CB 4.49Å; L268-C350 HydrophobicContact CD1-CB 4.24Å; L268-A351 PolarHBondContact O-N 3.11Å |
| 269 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.3 | -177 | -173.8 | 70.8 | 0 | 0 | 0 | 110.2 | W171 F175 M197 M198 L219 L228 V230 V267 K271 V322 A351 F355 | W171-L269 HydrophobicContact CZ2-CD2 4.44Å; F175-L269 HydrophobicContact CZ-CB 4.27Å; F175-L269 HydrophobicContact CZ-CD2 4.38Å; M197-L269 PolarHBondContact SD-N 2.91Å; M198-L269 WeakPolarHBondContact CB-O 3.48Å; M198-L269 HydrophobicContact CE-CB 4.13Å; M198-L269 HydrophobicContact CE-CD2 3.92Å; M198-L269 HydrophobicContact CE-CG 4.13Å; M198-L269 PolarHBondContact N-O 3.02Å; M198-L269 PolarHBondContact O-N 3.41Å; M198-L269 VanDerWaalsContact O-N 3.1Å; L219-L269 HydrophobicContact CD1-CD2 3.77Å; L228-L269 HydrophobicContact CD2-CD2 4Å; V230-L269 HydrophobicContact CG2-CD1 4.11Å; V267-L269 HydrophobicContact CG1-CB 4.33Å; L269-K271 PolarHBondContact O-N 2.85Å; L269-V322 HydrophobicContact CD2-CG1 4.24Å; L269-A351 HydrophobicContact CD1-CB 4.17Å; L269-F355 HydrophobicContact CD1-CZ 4.36Å |
| 270 | P | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 136.9 | 174.7 | -29.1 | 37.8 | 0 | 0 | 0 | 112.4 | F185 V195 M197 F272 A351 F355 F373 | F185-P270 HydrophobicContact CD2-CG 4.15Å; F185-P270 HydrophobicContact CE2-CG 4.15Å; V195-P270 HydrophobicContact CG1-CG 4.5Å; V195-P270 HydrophobicContact CG2-CB 3.88Å; M197-P270 HydrophobicContact CE-CG 3.96Å; M197-P270 HydrophobicContact SD-CG 4.01Å; M197-P270 VanDerWaalsContact SD-N 3.44Å; P270-F272 HydrophobicContact CB-CD1 4.16Å; P270-F272 WeakPolarHBondContact O-CD1 3.35Å; P270-A351 WeakPolarHBondContact CD-O 3.19Å; P270-A351 VanDerWaalsContact CG-O 3.29Å; P270-A351 WeakPolarHBondContact CG-O 3.5Å; P270-F355 HydrophobicContact CG-CE1 4.12Å; P270-F373 HydrophobicContact CB-CE1 3.86Å; P270-F373 HydrophobicContact CB-CZ 4.04Å; P270-F373 HydrophobicContact CG-CD1 4.44Å; P270-F373 HydrophobicContact CG-CE1 3.9Å |
| 271 | K | 95.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | trans | -79 | 121.7 | 161.9 | 176.9 | 179.3 | -169 | 155 | 0 | 108.1 | Q196 M198 L269 V322 N323 E324 | Q196-K271 HydrophobicContact CB-CB 4.22Å; Q196-K271 HydrophobicContact CB-CD 4.45Å; Q196-K271 WeakPolarHBondContact O-CB 3.38Å; Q196-K271 PolarHBondContact O-N 3.33Å; M198-K271 HydrophobicContact CG-CB 3.88Å; M198-K271 HydrophobicContact SD-CB 4.09Å; L269-K271 PolarHBondContact O-N 2.85Å; K271-V322 WeakPolarHBondContact CA-O 3.44Å; K271-N323 HydrophobicContact CG-CB 4.32Å; K271-E324 WeakPolarHBondContact CD-OE2 3.21Å; K271-E324 WeakPolarHBondContact CE-OE2 3.49Å; K271-E324 VanDerWaalsContact NZ-CD 3.31Å; K271-E324 IonicContact NZ-OE1 2.97Å; K271-E324 PolarHBondContact NZ-OE1 2.83Å; K271-E324 VanDerWaalsContact NZ-OE1 3.09Å; K271-E324 IonicContact NZ-OE2 3.93Å; K271-E324 PolarHBondContact NZ-OE2 3.5Å | ||
| 272 | F | 95 | Very high | 95.2 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159.6 | -176.1 | 64.3 | -99.3 | 0 | 0 | 0 | 113.9 | P270 L274 V320 V322 F355 F357 F373 | P270-F272 HydrophobicContact CB-CD1 4.16Å; P270-F272 WeakPolarHBondContact O-CD1 3.35Å; F272-L274 HydrophobicContact CD2-CD1 4.04Å; F272-L274 HydrophobicContact CD2-CG 3.75Å; F272-L274 HydrophobicContact CE2-CD1 3.84Å; F272-L274 HydrophobicContact CE2-CG 4.03Å; F272-V320 HydrophobicContact CE2-CG1 4.39Å; F272-V322 HydrophobicContact CD1-CB 4.2Å; F272-V322 HydrophobicContact CD1-CG1 4.49Å; F272-V322 HydrophobicContact CD2-CB 4.25Å; F272-V322 HydrophobicContact CD2-CG2 4.18Å; F272-V322 HydrophobicContact CE1-CB 3.98Å; F272-V322 HydrophobicContact CE1-CG1 4.08Å; F272-V322 HydrophobicContact CE1-CG2 4.04Å; F272-V322 HydrophobicContact CE2-CB 4.07Å; F272-V322 HydrophobicContact CE2-CG2 3.56Å; F272-V322 HydrophobicContact CG-CB 4.34Å; F272-V322 HydrophobicContact CZ-CB 3.93Å; F272-V322 HydrophobicContact CZ-CG1 4.35Å; F272-V322 HydrophobicContact CZ-CG2 3.48Å; F272-V322 VanDerWaalsContact CZ-CG2 3.48Å; F272-V322 PolarHBondContact N-O 2.83Å; F272-V322 PolarHBondContact O-N 3.03Å; F272-F355 HydrophobicContact CE1-CZ 4.21Å; F272-F357 HydrophobicContact CE2-CZ 4.36Å; F272-F357 HydrophobicContact CZ-CE1 4.46Å; F272-F357 HydrophobicContact CZ-CZ 4.49Å; F272-F373 HydrophobicContact CB-CD2 4.24Å; F272-F373 HydrophobicContact CB-CE2 3.49Å; F272-F373 VanDerWaalsContact CB-CE2 3.49Å; F272-F373 HydrophobicContact CB-CZ 4.05Å; F272-F373 HydrophobicContact CD1-CD2 4.05Å; F272-F373 AromaticContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CZ 4.36Å; F272-F373 HydrophobicContact CD2-CD2 4.24Å; F272-F373 HydrophobicContact CD2-CE2 4.32Å; F272-F373 HydrophobicContact CE1-CD2 4.44Å; F272-F373 AromaticContact CG-CD2 3.93Å; F272-F373 HydrophobicContact CG-CD2 3.93Å; F272-F373 AromaticContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CZ 4.4Å |
| 273 | K | 93.9 | Very high | 95.2 | Very high | 122 Ų | 122 | 40 Ų | 40 | 53% | 0.53 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127 | 167.9 | -58.8 | -176.5 | -173.1 | -157.6 | 0 | 107.5 | F319 V320 E321 | K273-F319 HydrophobicContact CB-CZ 4.45Å; K273-F319 HydrophobicContact CD-CZ 4.38Å; K273-V320 WeakPolarHBondContact CA-O 3.37Å; K273-E321 HydrophobicContact CD-CG 4.43Å; K273-E321 WeakPolarHBondContact CE-OE1 3.12Å; K273-E321 HydrophobicContact CG-CB 4.37Å; K273-E321 HydrophobicContact CG-CG 4.12Å; K273-E321 IonicContact NZ-OE1 3.93Å; K273-E321 PolarHBondContact NZ-OE1 2.87Å; K273-E321 IonicContact NZ-OE2 2.8Å |
| 274 | L | 94.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.8 | 174 | -65.2 | 176.2 | 0 | 0 | 0 | 109.1 | N27 F29 F272 F319 V320 F357 F373 | N27-L274 HydrophobicContact CB-CD2 3.69Å; N27-L274 VanDerWaalsContact ND2-CD2 3.26Å; N27-L274 WeakPolarHBondContact ND2-CD2 3.38Å; F29-L274 HydrophobicContact CB-CB 4.14Å; F29-L274 HydrophobicContact CB-CD1 4.26Å; F29-L274 HydrophobicContact CD1-CB 4.43Å; F29-L274 HydrophobicContact CG-CB 4.31Å; F272-L274 HydrophobicContact CD2-CD1 4.04Å; F272-L274 HydrophobicContact CD2-CG 3.75Å; F272-L274 HydrophobicContact CE2-CD1 3.84Å; F272-L274 HydrophobicContact CE2-CG 4.03Å; L274-F319 WeakPolarHBondContact O-CA 3.34Å; L274-V320 HydrophobicContact CB-CG1 3.84Å; L274-V320 PolarHBondContact N-O 3.12Å; L274-V320 PolarHBondContact O-N 3.3Å; L274-F357 HydrophobicContact CD1-CE1 3.8Å; L274-F357 HydrophobicContact CD1-CZ 3.68Å; L274-F373 HydrophobicContact CD1-CD2 4.32Å; L274-F373 HydrophobicContact CD2-CD2 4.32Å |
| 275 | Q | 93.6 | Very high | 95.2 | Very high | 84 Ų | 84 | 37.1 Ų | 37.1 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 113.2 | 171.7 | -175.1 | -173.8 | -73.1 | 0 | 0 | 107.9 | K143 K317 S318 F319 | K143-Q275 PolarHBondContact O-OE1 2.83Å; Q275-K317 VanDerWaalsContact NE2-CE 3.28Å; Q275-S318 WeakPolarHBondContact CA-O 3.44Å; Q275-F319 HydrophobicContact CB-CD2 3.8Å; Q275-F319 HydrophobicContact CB-CE2 4.34Å; Q275-F319 HydrophobicContact CG-CD2 3.99Å |
| 276 | E | 94.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.3 | -178.4 | -62 | -61.9 | 155.9 | 0 | 0 | 109.6 | H26 F29 Y278 K317 S318 | H26-E276 IonicContact CE1-OE1 3.84Å; H26-E276 IonicContact CE1-OE2 2.8Å; H26-E276 PolarHBondContact CE1-OE2 3.4Å; F29-E276 HydrophobicContact CB-CB 4.27Å; F29-E276 HydrophobicContact CB-CG 3.73Å; F29-E276 WeakPolarHBondContact O-CB 3.35Å; E276-Y278 HydrophobicContact CB-CE2 3.69Å; E276-Y278 WeakPolarHBondContact CB-OH 3.29Å; E276-K317 WeakPolarHBondContact O-CA 3.39Å; E276-S318 PolarHBondContact N-O 2.84Å; E276-S318 VanDerWaalsContact N-O 3.1Å; E276-S318 PolarHBondContact O-N 3.47Å |
| 277 | D | 93.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.9 | 174.9 | 56.6 | -109 | 0 | 0 | 0 | 112.6 | H316 K317 | D277-H316 WeakPolarHBondContact CA-O 3.35Å; D277-K317 HydrophobicContact CB-CB 4.07Å; D277-K317 HydrophobicContact CB-CD 3.67Å; D277-K317 HydrophobicContact CB-CG 3.82Å; D277-K317 WeakPolarHBondContact OD1-CE 3.18Å; D277-K317 IonicContact OD1-NZ 3.29Å; D277-K317 PolarHBondContact OD1-NZ 2.95Å |
| 278 | Y | 93.1 | Very high | 95 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130 | -174.8 | -50.8 | -86.9 | 0 | 0 | 0 | 109.5 | L19 F29 C30 E276 M280 H316 | L19-Y278 HydrophobicContact CD1-CD1 4.41Å; L19-Y278 HydrophobicContact CD1-CE1 3.89Å; L19-Y278 HydrophobicContact CD2-CD1 3.65Å; L19-Y278 HydrophobicContact CD2-CE1 3.65Å; L19-Y278 HydrophobicContact CG-CE1 4.26Å; F29-Y278 PolarHBondContact N-OH 3.35Å; F29-Y278 VanDerWaalsContact N-OH 3.08Å; F29-Y278 WeakPolarHBondContact O-CE2 3.22Å; F29-Y278 PolarHBondContact O-OH 3.2Å; C30-Y278 HydrophobicContact CB-CE2 4.07Å; E276-Y278 HydrophobicContact CB-CE2 3.69Å; E276-Y278 WeakPolarHBondContact CB-OH 3.29Å; Y278-M280 HydrophobicContact CG-SD 4.39Å; Y278-M280 PolarHBondContact O-N 3.49Å; Y278-H316 PolarHBondContact N-O 3.34Å; Y278-H316 PolarHBondContact O-N 2.92Å |
| 279 | D | 92.6 | Very high | 95 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 106.8 | 153.3 | -161.8 | -38.9 | 0 | 0 | 0 | 107.6 | E281 K313 | D279-E281 PolarHBondContact O-N 3.18Å; D279-E281 PolarHBondContact OD1-N 3.31Å; D279-K313 IonicContact OD2-NZ 3.19Å; D279-K313 PolarHBondContact OD2-NZ 2.94Å |
| 280 | M | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -75.9 | -9.3 | -170.6 | -67.4 | -64.6 | -58.3 | 0 | 0 | 112.5 | L15 I35 Y278 S282 V283 L284 F314 H316 | L15-M280 HydrophobicContact CD1-CE 3.98Å; I35-M280 HydrophobicContact CD1-CE 3.99Å; I35-M280 HydrophobicContact CD1-SD 4.31Å; I35-M280 HydrophobicContact CG2-CE 4.01Å; Y278-M280 HydrophobicContact CG-SD 4.39Å; Y278-M280 PolarHBondContact O-N 3.49Å; M280-S282 PolarHBondContact O-N 2.87Å; M280-V283 HydrophobicContact CE-CB 4.39Å; M280-V283 HydrophobicContact CE-CG1 4.18Å; M280-V283 PolarHBondContact O-N 3.1Å; M280-L284 HydrophobicContact CB-CD1 3.82Å; M280-L284 HydrophobicContact CB-CG 4.2Å; M280-L284 HydrophobicContact CE-CD2 4.15Å; M280-L284 HydrophobicContact CE-CG 4.15Å; M280-L284 VanDerWaalsContact O-CB 3.24Å; M280-L284 WeakPolarHBondContact O-CB 3.45Å; M280-L284 WeakPolarHBondContact O-CD1 3.46Å; M280-L284 WeakPolarHBondContact O-CG 3.19Å; M280-L284 PolarHBondContact O-N 2.85Å; M280-F314 HydrophobicContact CB-CB 4.16Å; M280-F314 HydrophobicContact CB-CD1 3.43Å; M280-F314 VanDerWaalsContact CB-CD1 3.43Å; M280-F314 HydrophobicContact CB-CE1 3.81Å; M280-F314 HydrophobicContact CB-CG 3.79Å; M280-F314 HydrophobicContact CB-CZ 4.49Å; M280-F314 WeakPolarHBondContact CB-O 3.28Å; M280-F314 HydrophobicContact CG-CD1 3.91Å; M280-F314 HydrophobicContact CG-CD2 4.43Å; M280-F314 HydrophobicContact CG-CE1 3.84Å; M280-F314 HydrophobicContact CG-CE2 4.37Å; M280-F314 HydrophobicContact CG-CG 4.18Å; M280-F314 HydrophobicContact CG-CZ 4.07Å; M280-F314 PolarHBondContact N-O 2.89Å; M280-H316 HydrophobicContact CG-CB 3.73Å; M280-H316 HydrophobicContact SD-CB 3.94Å |
| 281 | E | 94.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.4 | -52.8 | -177.6 | 178.9 | 175.7 | 173.9 | 0 | 0 | 112 | D279 V283 L284 R285 F293 | D279-E281 PolarHBondContact O-N 3.18Å; D279-E281 PolarHBondContact OD1-N 3.31Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.77Å; E281-L284 PolarHBondContact O-N 2.91Å; E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 VanDerWaalsContact O-CG 3.28Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 2.95Å; E281-R285 IonicContact OE1-CZ 3.8Å; E281-R285 IonicContact OE1-NE 2.64Å; E281-R285 PolarHBondContact OE1-NE 2.68Å; E281-R285 IonicContact OE1-NH2 3.11Å; E281-R285 PolarHBondContact OE1-NH2 3Å; E281-F293 HydrophobicContact CB-CD1 4.01Å; E281-F293 HydrophobicContact CB-CE1 3.91Å; E281-F293 HydrophobicContact CB-CZ 4.44Å; E281-F293 HydrophobicContact CG-CB 4.25Å; E281-F293 HydrophobicContact CG-CD1 3.66Å; E281-F293 HydrophobicContact CG-CD2 4.42Å; E281-F293 HydrophobicContact CG-CE1 4.06Å; E281-F293 HydrophobicContact CG-CG 3.88Å |
| 282 | S | 92.6 | Very high | 95 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | -177.9 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | M280 H286 | M280-S282 PolarHBondContact O-N 2.87Å; S282-H286 PolarHBondContact O-N 3.45Å; S282-H286 PolarHBondContact O-ND1 3.17Å |
| 283 | V | 94.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 111 | L15 I18 L19 M280 E281 H286 L287 | L15-V283 HydrophobicContact CD1-CG1 3.43Å; L15-V283 VanDerWaalsContact CD1-CG1 3.43Å; I18-V283 HydrophobicContact CG2-CG1 4.07Å; L19-V283 HydrophobicContact CD2-CG1 4.25Å; L19-V283 HydrophobicContact CD2-CG2 3.91Å; M280-V283 HydrophobicContact CE-CB 4.39Å; M280-V283 HydrophobicContact CE-CG1 4.18Å; M280-V283 PolarHBondContact O-N 3.1Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.77Å; V283-H286 WeakPolarHBondContact O-CB 3.45Å; V283-H286 PolarHBondContact O-N 3.48Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 PolarHBondContact O-N 3Å; V283-L287 VanDerWaalsContact O-N 3.15Å |
| 284 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.2 | -31.9 | -177.3 | -67.1 | 173.1 | 0 | 0 | 0 | 112.9 | L39 M280 E281 H286 L287 G288 I289 F293 F314 | L39-L284 HydrophobicContact CD1-CD1 4.01Å; L39-L284 HydrophobicContact CD1-CD2 3.67Å; L39-L284 HydrophobicContact CD2-CD1 3.79Å; L39-L284 HydrophobicContact CG-CD1 4.46Å; M280-L284 HydrophobicContact CB-CD1 3.82Å; M280-L284 HydrophobicContact CB-CG 4.2Å; M280-L284 HydrophobicContact CE-CD2 4.15Å; M280-L284 HydrophobicContact CE-CG 4.15Å; M280-L284 VanDerWaalsContact O-CB 3.24Å; M280-L284 WeakPolarHBondContact O-CB 3.45Å; M280-L284 WeakPolarHBondContact O-CD1 3.46Å; M280-L284 WeakPolarHBondContact O-CG 3.19Å; M280-L284 PolarHBondContact O-N 2.85Å; E281-L284 PolarHBondContact O-N 2.91Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.93Å; L284-L287 HydrophobicContact CD2-CD1 4.07Å; L284-L287 CarbonylContact O-C 3.55Å; L284-L287 WeakPolarHBondContact O-CA 3.36Å; L284-L287 PolarHBondContact O-N 3.45Å; L284-G288 PolarHBondContact O-N 3.17Å; L284-G288 VanDerWaalsContact O-N 3.12Å; L284-I289 HydrophobicContact CB-CB 4.19Å; L284-I289 HydrophobicContact CB-CD1 4.36Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 PolarHBondContact O-N 3.47Å; L284-F293 HydrophobicContact CB-CE2 3.89Å; L284-F293 HydrophobicContact CB-CZ 4.21Å; L284-F293 HydrophobicContact CD1-CE2 4.16Å; L284-F293 HydrophobicContact CD1-CZ 3.77Å; L284-F314 HydrophobicContact CD1-CD1 3.37Å; L284-F314 HydrophobicContact CD1-CE1 3.72Å |
| 285 | R | 96.1 | Very high | 95 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 168.5 | -74.5 | -179.9 | -177.4 | -73 | 5.1 | 111 | E281 L287 G288 I289 V290 F293 | E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 VanDerWaalsContact O-CG 3.28Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 2.95Å; E281-R285 IonicContact OE1-CZ 3.8Å; E281-R285 IonicContact OE1-NE 2.64Å; E281-R285 PolarHBondContact OE1-NE 2.68Å; E281-R285 IonicContact OE1-NH2 3.11Å; E281-R285 PolarHBondContact OE1-NH2 3Å; R285-L287 PolarHBondContact O-N 3.09Å; R285-G288 PolarHBondContact O-N 3.35Å; R285-I289 WeakPolarHBondContact CA-O 3.47Å; R285-V290 PolarHBondContact NH1-O 2.84Å; R285-F293 HydrophobicContact CG-CD2 4.48Å; R285-F293 PolarHBondContact NH2-O 2.81Å |
| 286 | H | 94.5 | Very high | 94.9 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 71% | 0.708 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.7 | -29.7 | 172.8 | -81 | 87.3 | 0 | 0 | 0 | 113.1 | I18 S282 V283 L284 G288 | I18-H286 HydrophobicContact CD1-CB 4.36Å; S282-H286 PolarHBondContact O-N 3.45Å; S282-H286 PolarHBondContact O-ND1 3.17Å; V283-H286 WeakPolarHBondContact O-CB 3.45Å; V283-H286 PolarHBondContact O-N 3.48Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.93Å; H286-G288 VanDerWaalsContact C-N 3.28Å |
| 287 | L | 95.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.5 | 174.4 | -72.2 | 166.3 | 0 | 0 | 0 | 114.1 | F11 R14 L15 I18 A57 V283 L284 R285 | F11-L287 HydrophobicContact CE2-CD1 3.88Å; R14-L287 HydrophobicContact CB-CD2 4.14Å; L15-L287 HydrophobicContact CD1-CD1 4.45Å; I18-L287 HydrophobicContact CD1-CD1 4.12Å; I18-L287 HydrophobicContact CD1-CD2 3.37Å; I18-L287 HydrophobicContact CD1-CG 3.44Å; I18-L287 VanDerWaalsContact CD1-CG 3.44Å; A57-L287 HydrophobicContact CB-CB 4.29Å; A57-L287 WeakPolarHBondContact CB-O 3.38Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 PolarHBondContact O-N 3Å; V283-L287 VanDerWaalsContact O-N 3.15Å; L284-L287 HydrophobicContact CD2-CD1 4.07Å; L284-L287 CarbonylContact O-C 3.55Å; L284-L287 WeakPolarHBondContact O-CA 3.36Å; L284-L287 PolarHBondContact O-N 3.45Å; R285-L287 PolarHBondContact O-N 3.09Å |
| 288 | G | 96.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 0.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q53 L284 R285 H286 V290 | Q53-G288 WeakPolarHBondContact CB-O 3.34Å; Q53-G288 WeakPolarHBondContact CG-O 3.42Å; L284-G288 PolarHBondContact O-N 3.17Å; L284-G288 VanDerWaalsContact O-N 3.12Å; R285-G288 PolarHBondContact O-N 3.35Å; H286-G288 VanDerWaalsContact C-N 3.28Å; G288-V290 PolarHBondContact O-N 2.87Å |
| 289 | I | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -85.2 | 91.1 | 174.5 | -48.1 | -176.2 | 0 | 0 | 0 | 108.5 | L39 M54 A57 L284 R285 A292 F293 | L39-I289 HydrophobicContact CD1-CD1 4.22Å; M54-I289 HydrophobicContact CG-CD1 4.29Å; M54-I289 HydrophobicContact CG-CG2 3.86Å; A57-I289 HydrophobicContact CB-CD1 3.71Å; A57-I289 HydrophobicContact CB-CG1 3.42Å; A57-I289 VanDerWaalsContact CB-CG1 3.42Å; L284-I289 HydrophobicContact CB-CB 4.19Å; L284-I289 HydrophobicContact CB-CD1 4.36Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 PolarHBondContact O-N 3.47Å; R285-I289 WeakPolarHBondContact CA-O 3.47Å; I289-A292 HydrophobicContact CG2-CB 3.78Å; I289-F293 HydrophobicContact CB-CE2 4.42Å; I289-F293 HydrophobicContact CG2-CD2 4.35Å; I289-F293 HydrophobicContact CG2-CE2 3.97Å; I289-F293 WeakPolarHBondContact O-CD2 3.33Å | ||
| 290 | V | 97.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | trans | -109.6 | -46 | -173.1 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | R285 G288 A292 F293 Q294 | R285-V290 PolarHBondContact NH1-O 2.84Å; G288-V290 PolarHBondContact O-N 2.87Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; V290-F293 PolarHBondContact O-N 2.76Å; V290-Q294 WeakPolarHBondContact O-CG 3.4Å | ||
| 291 | D | 97.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -68.1 | -36.9 | -171.6 | -66.9 | 7.3 | 0 | 0 | 0 | 111 | N49 T50 Q53 F293 Q294 K297 A298 | N49-D291 PolarHBondContact ND2-OD2 3.29Å; T50-D291 WeakPolarHBondContact OG1-CB 3.2Å; Q53-D291 PolarHBondContact NE2-OD1 3.1Å; Q53-D291 PolarHBondContact NE2-OD2 3.47Å; D291-F293 PolarHBondContact O-N 3.05Å; D291-F293 VanDerWaalsContact O-N 3.07Å; D291-Q294 PolarHBondContact O-N 2.96Å; D291-K297 HydrophobicContact CB-CB 4.43Å; D291-A298 VanDerWaalsContact O-CA 3.25Å; D291-A298 WeakPolarHBondContact O-CA 3.36Å; D291-A298 VanDerWaalsContact O-CB 3.23Å; D291-A298 WeakPolarHBondContact O-CB 3.45Å; D291-A298 PolarHBondContact O-N 2.84Å |
| 292 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -55.2 | -30.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T50 I289 V290 L311 | T50-A292 HydrophobicContact CG2-CB 3.88Å; I289-A292 HydrophobicContact CG2-CB 3.78Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; A292-L311 WeakPolarHBondContact O-CB 3.46Å; A292-L311 PolarHBondContact O-N 3.49Å |
| 293 | F | 96.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -98.9 | 8.9 | -179.5 | -60.5 | -85 | 0 | 0 | 0 | 113.1 | E281 L284 R285 I289 V290 D291 L311 F314 | E281-F293 HydrophobicContact CB-CD1 4.01Å; E281-F293 HydrophobicContact CB-CE1 3.91Å; E281-F293 HydrophobicContact CB-CZ 4.44Å; E281-F293 HydrophobicContact CG-CB 4.25Å; E281-F293 HydrophobicContact CG-CD1 3.66Å; E281-F293 HydrophobicContact CG-CD2 4.42Å; E281-F293 HydrophobicContact CG-CE1 4.06Å; E281-F293 HydrophobicContact CG-CG 3.88Å; L284-F293 HydrophobicContact CB-CE2 3.89Å; L284-F293 HydrophobicContact CB-CZ 4.21Å; L284-F293 HydrophobicContact CD1-CE2 4.16Å; L284-F293 HydrophobicContact CD1-CZ 3.77Å; R285-F293 HydrophobicContact CG-CD2 4.48Å; R285-F293 PolarHBondContact NH2-O 2.81Å; I289-F293 HydrophobicContact CB-CE2 4.42Å; I289-F293 HydrophobicContact CG2-CD2 4.35Å; I289-F293 HydrophobicContact CG2-CE2 3.97Å; I289-F293 WeakPolarHBondContact O-CD2 3.33Å; V290-F293 PolarHBondContact O-N 2.76Å; D291-F293 PolarHBondContact O-N 3.05Å; D291-F293 VanDerWaalsContact O-N 3.07Å; F293-L311 HydrophobicContact CD1-CB 4.33Å; F293-L311 HydrophobicContact CD1-CD2 4.35Å; F293-L311 HydrophobicContact CD1-CG 4.21Å; F293-L311 WeakPolarHBondContact CD1-O 3.24Å; F293-L311 HydrophobicContact CE1-CB 4.41Å; F293-L311 HydrophobicContact CE1-CD2 3.65Å; F293-L311 HydrophobicContact CE1-CG 3.84Å; F293-L311 HydrophobicContact CZ-CD2 3.75Å; F293-L311 HydrophobicContact CZ-CG 4.45Å; F293-F314 HydrophobicContact CE1-CB 4.25Å; F293-F314 HydrophobicContact CZ-CB 4.45Å |
| 294 | Q | 94.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -116.1 | 115.5 | -178.5 | -73 | -175.5 | -1.3 | 0 | 0 | 110.7 | V290 D291 G296 K297 A298 | V290-Q294 WeakPolarHBondContact O-CG 3.4Å; D291-Q294 PolarHBondContact O-N 2.96Å; Q294-G296 PolarHBondContact O-N 2.97Å; Q294-K297 HydrophobicContact CB-CB 4.08Å; Q294-K297 HydrophobicContact CB-CG 4.45Å; Q294-K297 PolarHBondContact O-N 2.68Å; Q294-K297 VanDerWaalsContact O-N 3.12Å; Q294-K297 VanDerWaalsContact OE1-CD 3.28Å; Q294-A298 PolarHBondContact O-N 2.95Å |
| 295 | Q | 91.5 | Very high | 95.6 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 135.6 | 172.6 | -171.6 | 177.9 | -4.6 | 0 | 0 | 110.2 | K297 D308 | Q295-K297 PolarHBondContact O-N 3.33Å; Q295-D308 HydrophobicContact CG-CB 4.03Å |
| 296 | G | 91 | Very high | 95.2 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -8.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q294 | Q294-G296 PolarHBondContact O-N 2.97Š|
| 297 | K | 95.1 | Very high | 94.6 | Very high | 126 Ų | 126 | 48.8 Ų | 48.8 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -30.5 | 170.9 | -63.7 | -162 | -163.6 | 159.6 | 0 | 113.8 | D291 Q294 Q295 D299 | D291-K297 HydrophobicContact CB-CB 4.43Å; Q294-K297 HydrophobicContact CB-CB 4.08Å; Q294-K297 HydrophobicContact CB-CG 4.45Å; Q294-K297 PolarHBondContact O-N 2.68Å; Q294-K297 VanDerWaalsContact O-N 3.12Å; Q294-K297 VanDerWaalsContact OE1-CD 3.28Å; Q295-K297 PolarHBondContact O-N 3.33Å; K297-D299 PolarHBondContact O-N 3.09Å; K297-D299 VanDerWaalsContact O-N 3.16Å |
| 298 | A | 96.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | trans | -58 | 116.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | D291 Q294 L300 L309 C310 | D291-A298 VanDerWaalsContact O-CA 3.25Å; D291-A298 WeakPolarHBondContact O-CA 3.36Å; D291-A298 VanDerWaalsContact O-CB 3.23Å; D291-A298 WeakPolarHBondContact O-CB 3.45Å; D291-A298 PolarHBondContact O-N 2.84Å; Q294-A298 PolarHBondContact O-N 2.95Å; A298-L300 HydrophobicContact CB-CG 4.39Å; A298-L300 PolarHBondContact O-N 3.12Å; A298-L309 WeakPolarHBondContact CB-O 3.47Å; A298-C310 HydrophobicContact CB-CB 3.75Å | ||
| 299 | D | 97.1 | Very high | 94.2 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -95.4 | 85.7 | 170.8 | -175.7 | -2.6 | 0 | 0 | 0 | 108.8 | A46 K47 T50 K297 S301 | A46-D299 CarbonylContact C-O 3.54Å; A46-D299 VanDerWaalsContact CA-O 3.25Å; A46-D299 WeakPolarHBondContact CA-O 3.37Å; K47-D299 VanDerWaalsContact CB-OD2 3.31Å; K47-D299 WeakPolarHBondContact CB-OD2 3.48Å; K47-D299 PolarHBondContact N-O 3.48Å; T50-D299 PolarHBondContact OG1-N 3.43Å; K297-D299 PolarHBondContact O-N 3.09Å; K297-D299 VanDerWaalsContact O-N 3.16Å; D299-S301 WeakPolarHBondContact OD1-CB 3Å; D299-S301 PolarHBondContact OD1-N 3.29Å; D299-S301 PolarHBondContact OD1-OG 2.96Å | ||
| 300 | L | 97.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | -101.9 | 30.9 | 173.4 | -61.4 | -179 | 0 | 0 | 0 | 111.9 | V42 G45 A46 T50 L159 A298 A302 M303 S304 L309 | V42-L300 HydrophobicContact CG1-CD2 4.04Å; G45-L300 CarbonylContact O-C 3.59Å; G45-L300 WeakPolarHBondContact O-CA 3.38Å; A46-L300 HydrophobicContact CB-CD2 3.91Å; T50-L300 HydrophobicContact CG2-CD2 4.4Å; L159-L300 HydrophobicContact CD2-CD1 3.96Å; A298-L300 HydrophobicContact CB-CG 4.39Å; A298-L300 PolarHBondContact O-N 3.12Å; L300-A302 PolarHBondContact O-N 3.27Å; L300-M303 HydrophobicContact CB-CB 4.28Å; L300-M303 HydrophobicContact CD1-CE 4.4Å; L300-M303 HydrophobicContact CD2-CE 4.38Å; L300-M303 WeakPolarHBondContact O-CA 3.33Å; L300-M303 VanDerWaalsContact O-CB 3.24Å; L300-M303 WeakPolarHBondContact O-CB 3.4Å; L300-M303 PolarHBondContact O-N 3.31Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.14Å; L300-L309 HydrophobicContact CB-CD2 4.15Å; L300-L309 HydrophobicContact CB-CG 4.43Å; L300-L309 HydrophobicContact CD1-CD2 4.35Å; L300-L309 HydrophobicContact CD1-CG 4.1Å | ||
| 301 | S | 96.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.7 | -174.6 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | K47 D299 M303 S304 | K47-S301 WeakPolarHBondContact CD-OG 3.41Å; D299-S301 WeakPolarHBondContact OD1-CB 3Å; D299-S301 PolarHBondContact OD1-N 3.29Å; D299-S301 PolarHBondContact OD1-OG 2.96Å; S301-M303 VanDerWaalsContact C-N 3.34Å; S301-S304 WeakPolarHBondContact CA-O 3.26Å |
| 302 | A | 96 | Very high | 94 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G45 K47 L300 | G45-A302 CarbonylContact O-C 3.5Å; G45-A302 WeakPolarHBondContact O-CA 3.18Å; G45-A302 WeakPolarHBondContact O-CB 3.41Å; G45-A302 PolarHBondContact O-N 2.95Å; G45-A302 VanDerWaalsContact O-N 3.11Å; K47-A302 HydrophobicContact CG-CB 4.25Å; L300-A302 PolarHBondContact O-N 3.27Å |
| 303 | M | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -45.6 | 175.4 | -165.6 | -178 | -62.1 | 0 | 0 | 112 | V42 G45 L92 F100 L101 F104 L116 L159 L300 S301 L309 | V42-M303 HydrophobicContact CG1-CE 4.31Å; G45-M303 PolarHBondContact O-N 3.49Å; L92-M303 HydrophobicContact CD1-CE 4.4Å; F100-M303 WeakPolarHBondContact CA-O 3.39Å; F100-M303 HydrophobicContact CD1-CG 4Å; F100-M303 HydrophobicContact CD1-SD 4.43Å; F100-M303 HydrophobicContact CE1-CG 4.31Å; F100-M303 HydrophobicContact CE1-SD 4.18Å; L101-M303 PolarHBondContact N-O 2.98Å; F104-M303 HydrophobicContact CD1-CG 3.7Å; F104-M303 HydrophobicContact CD2-CB 4.3Å; F104-M303 HydrophobicContact CD2-CG 4.15Å; F104-M303 HydrophobicContact CE1-CE 4.29Å; F104-M303 HydrophobicContact CE1-CG 3.55Å; F104-M303 HydrophobicContact CE1-SD 4.14Å; F104-M303 HydrophobicContact CE2-CB 4.36Å; F104-M303 HydrophobicContact CE2-CE 4.01Å; F104-M303 HydrophobicContact CE2-CG 4.01Å; F104-M303 HydrophobicContact CG-CB 4.4Å; F104-M303 HydrophobicContact CG-CG 4.01Å; F104-M303 HydrophobicContact CZ-CE 3.63Å; F104-M303 HydrophobicContact CZ-CG 3.72Å; F104-M303 HydrophobicContact CZ-SD 4.09Å; L116-M303 HydrophobicContact CD1-SD 4.35Å; L159-M303 HydrophobicContact CD1-SD 4.01Å; L159-M303 HydrophobicContact CD2-CE 3.89Å; L159-M303 HydrophobicContact CD2-SD 3.59Å; L159-M303 VanDerWaalsContact CD2-SD 3.59Å; L159-M303 HydrophobicContact CG-SD 4.47Å; L300-M303 HydrophobicContact CB-CB 4.28Å; L300-M303 HydrophobicContact CD1-CE 4.4Å; L300-M303 HydrophobicContact CD2-CE 4.38Å; L300-M303 WeakPolarHBondContact O-CA 3.33Å; L300-M303 VanDerWaalsContact O-CB 3.24Å; L300-M303 WeakPolarHBondContact O-CB 3.4Å; L300-M303 PolarHBondContact O-N 3.31Å; S301-M303 VanDerWaalsContact C-N 3.34Å; M303-L309 HydrophobicContact CB-CD2 4.35Å; M303-L309 HydrophobicContact CG-CD2 4.32Å; M303-L309 HydrophobicContact SD-CD2 3.95Å |
| 304 | S | 95.2 | Very high | 94 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -150.1 | 152.7 | -176.5 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | Q99 L300 S301 E306 | Q99-S304 WeakPolarHBondContact O-CA 3.23Å; Q99-S304 WeakPolarHBondContact O-CB 3.34Å; Q99-S304 PolarHBondContact O-OG 3.4Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 WeakPolarHBondContact CA-O 3.26Å; S304-E306 PolarHBondContact O-N 2.77Å; S304-E306 PolarHBondContact OG-N 3.02Å |
| 305 | A | 89.9 | Confident | 94.1 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 63% | 0.628 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -74.8 | -8.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R307 | A305-R307 PolarHBondContact O-N 3Š|
| 306 | E | 88.4 | Confident | 94.4 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | trans | -67.7 | 122.3 | 179.2 | -171 | 63.7 | -153.1 | 0 | 0 | 111 | S304 D308 L309 | S304-E306 PolarHBondContact O-N 2.77Å; S304-E306 PolarHBondContact OG-N 3.02Å; E306-D308 PolarHBondContact O-N 2.74Å; E306-L309 HydrophobicContact CB-CB 4.27Å; E306-L309 HydrophobicContact CG-CB 4.48Å | ||
| 307 | R | 82.2 | Confident | 94.6 | Very high | 223 Ų | 223 | 40.1 Ų | 40.1 | 84% | 0.842 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.2 | -175.2 | -68.3 | -171.8 | 178.6 | -166.9 | -0.3 | 114.1 | A305 | A305-R307 PolarHBondContact O-N 3Š|
| 308 | D | 88 | Confident | 94.6 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11 | -176.8 | -71.4 | -20.3 | 0 | 0 | 0 | 112.9 | Q295 E306 C310 | Q295-D308 HydrophobicContact CG-CB 4.03Å; E306-D308 PolarHBondContact O-N 2.74Å; D308-C310 PolarHBondContact O-N 3.12Å |
| 309 | L | 95.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | trans | -70.9 | 115.8 | 177.3 | -175 | 67.5 | 0 | 0 | 0 | 110.5 | F100 R158 L159 A298 L300 M303 E306 | F100-L309 HydrophobicContact CE1-CD1 4.4Å; F100-L309 HydrophobicContact CE1-CD2 3.88Å; R158-L309 HydrophobicContact CB-CD1 3.99Å; L159-L309 HydrophobicContact CB-CD1 4.08Å; A298-L309 WeakPolarHBondContact CB-O 3.47Å; L300-L309 HydrophobicContact CB-CD2 4.15Å; L300-L309 HydrophobicContact CB-CG 4.43Å; L300-L309 HydrophobicContact CD1-CD2 4.35Å; L300-L309 HydrophobicContact CD1-CG 4.1Å; M303-L309 HydrophobicContact CB-CD2 4.35Å; M303-L309 HydrophobicContact CG-CD2 4.32Å; M303-L309 HydrophobicContact SD-CD2 3.95Å; E306-L309 HydrophobicContact CB-CB 4.27Å; E306-L309 HydrophobicContact CG-CB 4.48Å | ||
| 310 | C | 95.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | trans | -124.6 | 162 | 168.8 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | L159 A298 D308 S312 | L159-C310 VanDerWaalsContact CB-O 3.29Å; L159-C310 WeakPolarHBondContact CB-O 3.32Å; A298-C310 HydrophobicContact CB-CB 3.75Å; D308-C310 PolarHBondContact O-N 3.12Å; C310-S312 PolarHBondContact O-N 3.32Å | ||
| 311 | L | 97 | Very high | 94.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -72.2 | 94.5 | 168.3 | -176.9 | 60.1 | 0 | 0 | 0 | 108.5 | L159 L161 A292 F293 K313 F314 | L159-L311 HydrophobicContact CD2-CD1 4.15Å; L159-L311 HydrophobicContact CG-CD1 4.22Å; L161-L311 HydrophobicContact CB-CD1 3.73Å; A292-L311 WeakPolarHBondContact O-CB 3.46Å; A292-L311 PolarHBondContact O-N 3.49Å; F293-L311 HydrophobicContact CD1-CB 4.33Å; F293-L311 HydrophobicContact CD1-CD2 4.35Å; F293-L311 HydrophobicContact CD1-CG 4.21Å; F293-L311 WeakPolarHBondContact CD1-O 3.24Å; F293-L311 HydrophobicContact CE1-CB 4.41Å; F293-L311 HydrophobicContact CE1-CD2 3.65Å; F293-L311 HydrophobicContact CE1-CG 3.84Å; F293-L311 HydrophobicContact CZ-CD2 3.75Å; F293-L311 HydrophobicContact CZ-CG 4.45Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 WeakPolarHBondContact CD1-O 3.43Å; L311-K313 PolarHBondContact O-N 3.44Å; L311-F314 HydrophobicContact CD2-CB 4.19Å | ||
| 312 | S | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | trans | -68.8 | -31 | -177.1 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | R158 L159 C310 | R158-S312 PolarHBondContact N-OG 3.35Å; L159-S312 PolarHBondContact N-OG 3.46Å; L159-S312 WeakPolarHBondContact O-CB 3.42Å; L159-S312 PolarHBondContact O-N 2.96Å; C310-S312 PolarHBondContact O-N 3.32Å | ||
| 313 | K | 95.7 | Very high | 94 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 142.1 | 178.6 | -163 | 178.1 | -169.3 | 73.3 | 0 | 111.3 | L148 S152 I153 L159 V160 L161 D279 L311 V315 | L148-K313 HydrophobicContact CD2-CD 3.96Å; S152-K313 WeakPolarHBondContact O-CD 3.4Å; S152-K313 WeakPolarHBondContact O-CE 3.05Å; S152-K313 PolarHBondContact O-NZ 3.16Å; I153-K313 HydrophobicContact CG2-CD 4.21Å; L159-K313 PolarHBondContact O-N 2.98Å; V160-K313 WeakPolarHBondContact CA-O 3.31Å; V160-K313 HydrophobicContact CG1-CB 4.3Å; V160-K313 HydrophobicContact CG2-CB 4.44Å; L161-K313 PolarHBondContact N-O 2.86Å; D279-K313 IonicContact OD2-NZ 3.19Å; D279-K313 PolarHBondContact OD2-NZ 2.94Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 WeakPolarHBondContact CD1-O 3.43Å; L311-K313 PolarHBondContact O-N 3.44Å; K313-V315 HydrophobicContact CD-CG1 4.09Å; K313-V315 HydrophobicContact CG-CG1 4.18Å |
| 314 | F | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.7 | 165.2 | 175.3 | -158.8 | 0 | 0 | 0 | 109.7 | I35 A38 L39 L161 N163 M280 L284 F293 L311 H316 | I35-F314 HydrophobicContact CB-CZ 4.43Å; I35-F314 HydrophobicContact CG1-CZ 4.34Å; I35-F314 HydrophobicContact CG2-CE1 3.98Å; I35-F314 HydrophobicContact CG2-CZ 4Å; A38-F314 HydrophobicContact CB-CE2 4.46Å; A38-F314 HydrophobicContact CB-CZ 4.3Å; L39-F314 HydrophobicContact CD1-CE1 4.12Å; L39-F314 HydrophobicContact CD2-CD1 3.87Å; L39-F314 HydrophobicContact CD2-CE1 3.78Å; L39-F314 HydrophobicContact CG-CD1 4.39Å; L39-F314 HydrophobicContact CG-CE1 3.78Å; L161-F314 HydrophobicContact CB-CB 4.18Å; L161-F314 HydrophobicContact CB-CD2 3.82Å; L161-F314 HydrophobicContact CB-CG 4.12Å; L161-F314 HydrophobicContact CD2-CD1 4Å; L161-F314 HydrophobicContact CD2-CD2 3.63Å; L161-F314 HydrophobicContact CD2-CE1 4.12Å; L161-F314 HydrophobicContact CD2-CE2 3.77Å; L161-F314 HydrophobicContact CD2-CG 3.79Å; L161-F314 HydrophobicContact CD2-CZ 4.02Å; L161-F314 HydrophobicContact CG-CD2 3.59Å; L161-F314 HydrophobicContact CG-CE2 3.86Å; L161-F314 HydrophobicContact CG-CG 4.14Å; L161-F314 WeakPolarHBondContact O-CA 3.42Å; L161-F314 WeakPolarHBondContact O-CD2 3.16Å; N163-F314 HydrophobicContact CB-CE2 3.78Å; N163-F314 HydrophobicContact CB-CZ 4.41Å; M280-F314 HydrophobicContact CB-CB 4.16Å; M280-F314 HydrophobicContact CB-CD1 3.43Å; M280-F314 VanDerWaalsContact CB-CD1 3.43Å; M280-F314 HydrophobicContact CB-CE1 3.81Å; M280-F314 HydrophobicContact CB-CG 3.79Å; M280-F314 HydrophobicContact CB-CZ 4.49Å; M280-F314 WeakPolarHBondContact CB-O 3.28Å; M280-F314 HydrophobicContact CG-CD1 3.91Å; M280-F314 HydrophobicContact CG-CD2 4.43Å; M280-F314 HydrophobicContact CG-CE1 3.84Å; M280-F314 HydrophobicContact CG-CE2 4.37Å; M280-F314 HydrophobicContact CG-CG 4.18Å; M280-F314 HydrophobicContact CG-CZ 4.07Å; M280-F314 PolarHBondContact N-O 2.89Å; L284-F314 HydrophobicContact CD1-CD1 3.37Å; L284-F314 HydrophobicContact CD1-CE1 3.72Å; F293-F314 HydrophobicContact CE1-CB 4.25Å; F293-F314 HydrophobicContact CZ-CB 4.45Å; L311-F314 HydrophobicContact CD2-CB 4.19Å; F314-H316 HydrophobicContact CE2-CB 4.49Å |
| 315 | V | 96.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.1 | 176.5 | -75.5 | 0 | 0 | 0 | 0 | 111.1 | L147 L148 L161 V162 N163 K313 | L147-V315 HydrophobicContact CD1-CB 4.39Å; L147-V315 HydrophobicContact CD1-CG2 4.36Å; L147-V315 HydrophobicContact CD2-CG2 3.68Å; L147-V315 HydrophobicContact CG-CB 4.33Å; L147-V315 HydrophobicContact CG-CG2 3.88Å; L148-V315 HydrophobicContact CD2-CB 4.43Å; L148-V315 HydrophobicContact CD2-CG1 3.9Å; L148-V315 HydrophobicContact CD2-CG2 3.75Å; L161-V315 PolarHBondContact O-N 2.82Å; L161-V315 VanDerWaalsContact O-N 3.1Å; V162-V315 HydrophobicContact CG2-CG2 4.02Å; N163-V315 PolarHBondContact N-O 3.41Å; K313-V315 HydrophobicContact CD-CG1 4.09Å; K313-V315 HydrophobicContact CG-CG1 4.18Å |
| 316 | H | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.6 | 170.1 | -178.5 | 66.1 | 0 | 0 | 0 | 110.2 | S31 I35 N163 D277 Y278 M280 F314 | S31-H316 PolarHBondContact N-NE2 2.88Å; I35-H316 HydrophobicContact CD1-CB 4.36Å; I35-H316 HydrophobicContact CG1-CB 4.19Å; N163-H316 CarbonylContact O-C 3.52Å; N163-H316 VanDerWaalsContact O-CA 3.25Å; N163-H316 WeakPolarHBondContact O-CA 3.3Å; N163-H316 PolarHBondContact O-ND1 3.14Å; N163-H316 PolarHBondContact OD1-CE1 2.85Å; N163-H316 VanDerWaalsContact OD1-CE1 3.23Å; N163-H316 PolarHBondContact OD1-ND1 3Å; D277-H316 WeakPolarHBondContact CA-O 3.35Å; Y278-H316 PolarHBondContact N-O 3.34Å; Y278-H316 PolarHBondContact O-N 2.92Å; M280-H316 HydrophobicContact CG-CB 3.73Å; M280-H316 HydrophobicContact SD-CB 3.94Å; F314-H316 HydrophobicContact CE2-CB 4.49Å |
| 317 | K | 96.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 8% | 0.078 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.9 | 172.4 | -171.4 | 155.9 | -172.9 | 152 | 0 | 110.5 | I144 E146 L147 N163 A164 I165 Q275 E276 D277 | I144-K317 HydrophobicContact CD1-CB 4.34Å; I144-K317 HydrophobicContact CD1-CG 4.05Å; I144-K317 HydrophobicContact CG1-CG 4.31Å; I144-K317 HydrophobicContact CG2-CB 4.33Å; I144-K317 HydrophobicContact CG2-CD 3.59Å; I144-K317 HydrophobicContact CG2-CG 3.9Å; E146-K317 PolarHBondContact O-NZ 3.19Å; L147-K317 HydrophobicContact CD1-CB 3.25Å; L147-K317 HydrophobicContact CD1-CD 4.01Å; L147-K317 HydrophobicContact CD1-CG 4.24Å; N163-K317 PolarHBondContact O-N 2.82Å; A164-K317 CarbonylContact C-O 3.58Å; A164-K317 WeakPolarHBondContact CA-O 3.38Å; I165-K317 PolarHBondContact N-O 2.98Å; Q275-K317 VanDerWaalsContact NE2-CE 3.28Å; E276-K317 WeakPolarHBondContact O-CA 3.39Å; D277-K317 HydrophobicContact CB-CB 4.07Å; D277-K317 HydrophobicContact CB-CD 3.67Å; D277-K317 HydrophobicContact CB-CG 3.82Å; D277-K317 WeakPolarHBondContact OD1-CE 3.18Å; D277-K317 IonicContact OD1-NZ 3.29Å; D277-K317 PolarHBondContact OD1-NZ 2.95Å |
| 318 | S | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.4 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | F29 C30 I165 Q275 E276 | F29-S318 WeakPolarHBondContact CD1-OG 3.35Å; F29-S318 WeakPolarHBondContact CE1-OG 3.34Å; F29-S318 PolarHBondContact O-OG 3.2Å; F29-S318 VanDerWaalsContact O-OG 3.08Å; C30-S318 WeakPolarHBondContact CA-OG 3.4Å; I165-S318 CarbonylContact O-C 3.35Å; I165-S318 WeakPolarHBondContact O-CA 3.46Å; Q275-S318 WeakPolarHBondContact CA-O 3.44Å; E276-S318 PolarHBondContact N-O 2.84Å; E276-S318 VanDerWaalsContact N-O 3.1Å; E276-S318 PolarHBondContact O-N 3.47Å |
| 319 | F | 94.3 | Very high | 86 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.2 | 177.8 | -173.6 | -76.2 | 0 | 0 | 0 | 110.4 | K143 I144 I165 Y166 F167 K273 L274 Q275 E321 | K143-F319 HydrophobicContact CB-CG 4.44Å; I144-F319 HydrophobicContact CD1-CB 4.46Å; I144-F319 HydrophobicContact CG1-CB 4.48Å; I165-F319 PolarHBondContact O-N 2.86Å; Y166-F319 HydrophobicContact CD2-CB 4.23Å; Y166-F319 AromaticContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CD1 3.45Å; Y166-F319 VanDerWaalsContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CE1 4.2Å; Y166-F319 HydrophobicContact CD2-CG 4.19Å; Y166-F319 AromaticContact CE2-CD1 3.61Å; Y166-F319 HydrophobicContact CE2-CD1 3.61Å; Y166-F319 AromaticContact CE2-CE1 3.89Å; Y166-F319 HydrophobicContact CE2-CE1 3.89Å; F167-F319 PolarHBondContact N-O 2.87Å; K273-F319 HydrophobicContact CB-CZ 4.45Å; K273-F319 HydrophobicContact CD-CZ 4.38Å; L274-F319 WeakPolarHBondContact O-CA 3.34Å; Q275-F319 HydrophobicContact CB-CD2 3.8Å; Q275-F319 HydrophobicContact CB-CE2 4.34Å; Q275-F319 HydrophobicContact CG-CD2 3.99Å; F319-E321 HydrophobicContact CE1-CB 4.07Å |
| 320 | V | 94.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.7 | 170.7 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | F29 F167 F272 K273 L274 V322 I359 | F29-V320 HydrophobicContact CD1-CB 4.43Å; F29-V320 HydrophobicContact CD1-CG1 3.81Å; F29-V320 HydrophobicContact CD2-CG1 3.88Å; F29-V320 HydrophobicContact CE1-CB 3.65Å; F29-V320 HydrophobicContact CE1-CG1 3.52Å; F29-V320 HydrophobicContact CE2-CB 3.92Å; F29-V320 HydrophobicContact CE2-CG1 3.54Å; F29-V320 HydrophobicContact CG-CG1 4.01Å; F29-V320 HydrophobicContact CZ-CB 3.36Å; F29-V320 HydrophobicContact CZ-CG1 3.39Å; F29-V320 HydrophobicContact CZ-CG2 4.32Å; F167-V320 HydrophobicContact CD1-CG2 3.98Å; F167-V320 WeakPolarHBondContact O-CA 3.49Å; F272-V320 HydrophobicContact CE2-CG1 4.39Å; K273-V320 WeakPolarHBondContact CA-O 3.37Å; L274-V320 HydrophobicContact CB-CG1 3.84Å; L274-V320 PolarHBondContact N-O 3.12Å; L274-V320 PolarHBondContact O-N 3.3Å; V320-V322 HydrophobicContact CG2-CG2 3.96Å; V320-I359 HydrophobicContact CG2-CD1 4.17Å |
| 321 | E | 93.1 | Very high | 79.7 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.2 | 169.6 | 178.4 | 165.7 | -156.5 | 0 | 0 | 109.1 | F167 K273 F319 | F167-E321 PolarHBondContact O-N 2.73Å; K273-E321 HydrophobicContact CD-CG 4.43Å; K273-E321 WeakPolarHBondContact CE-OE1 3.12Å; K273-E321 HydrophobicContact CG-CB 4.37Å; K273-E321 HydrophobicContact CG-CG 4.12Å; K273-E321 IonicContact NZ-OE1 3.93Å; K273-E321 PolarHBondContact NZ-OE1 2.87Å; K273-E321 IonicContact NZ-OE2 2.8Å; F319-E321 HydrophobicContact CE1-CB 4.07Å |
| 322 | V | 94 | Very high | 76.4 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 110.8 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | W171 M198 L269 K271 F272 V320 | W171-V322 HydrophobicContact CH2-CG1 4.38Å; W171-V322 HydrophobicContact CZ2-CG1 3.79Å; M198-V322 HydrophobicContact CE-CG1 4.06Å; L269-V322 HydrophobicContact CD2-CG1 4.24Å; K271-V322 WeakPolarHBondContact CA-O 3.44Å; F272-V322 HydrophobicContact CD1-CB 4.2Å; F272-V322 HydrophobicContact CD1-CG1 4.49Å; F272-V322 HydrophobicContact CD2-CB 4.25Å; F272-V322 HydrophobicContact CD2-CG2 4.18Å; F272-V322 HydrophobicContact CE1-CB 3.98Å; F272-V322 HydrophobicContact CE1-CG1 4.08Å; F272-V322 HydrophobicContact CE1-CG2 4.04Å; F272-V322 HydrophobicContact CE2-CB 4.07Å; F272-V322 HydrophobicContact CE2-CG2 3.56Å; F272-V322 HydrophobicContact CG-CB 4.34Å; F272-V322 HydrophobicContact CZ-CB 3.93Å; F272-V322 HydrophobicContact CZ-CG1 4.35Å; F272-V322 HydrophobicContact CZ-CG2 3.48Å; F272-V322 VanDerWaalsContact CZ-CG2 3.48Å; F272-V322 PolarHBondContact N-O 2.83Å; F272-V322 PolarHBondContact O-N 3.03Å; V320-V322 HydrophobicContact CG2-CG2 3.96Å |
| 323 | N | 94.1 | Very high | 73.4 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | trans | -141.5 | -172.2 | -178.8 | 70 | 3.9 | 0 | 0 | 0 | 110.3 | W171 K271 E325 | W171-N323 PolarHBondContact NE1-O 3.24Å; K271-N323 HydrophobicContact CG-CB 4.32Å; N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact ND2-OE1 2.85Å; N323-E325 PolarHBondContact O-N 3.18Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 PolarHBondContact OD1-N 3.33Å | ||
| 324 | E | 94.1 | Very high | 70.2 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -75.4 | -15.6 | -172.6 | -61.7 | 89.7 | 153.9 | 0 | 0 | 113.5 | P174 F175 E177 T180 M198 K271 G326 | P174-E324 WeakPolarHBondContact CB-O 3.32Å; F175-E324 HydrophobicContact CB-CB 3.99Å; F175-E324 HydrophobicContact CB-CG 3.95Å; F175-E324 PolarHBondContact N-O 2.86Å; E177-E324 HydrophobicContact CB-CG 4.45Å; E177-E324 HydrophobicContact CG-CB 3.53Å; E177-E324 HydrophobicContact CG-CG 3.73Å; T180-E324 WeakPolarHBondContact CB-OE1 3.13Å; T180-E324 WeakPolarHBondContact CG2-OE1 2.97Å; T180-E324 WeakPolarHBondContact OG1-CG 3.38Å; T180-E324 PolarHBondContact OG1-OE1 3.28Å; M198-E324 HydrophobicContact CG-CG 3.9Å; M198-E324 HydrophobicContact SD-CB 4.43Å; M198-E324 HydrophobicContact SD-CG 3.74Å; K271-E324 WeakPolarHBondContact CD-OE2 3.21Å; K271-E324 WeakPolarHBondContact CE-OE2 3.49Å; K271-E324 VanDerWaalsContact NZ-CD 3.31Å; K271-E324 IonicContact NZ-OE1 2.97Å; K271-E324 PolarHBondContact NZ-OE1 2.83Å; K271-E324 VanDerWaalsContact NZ-OE1 3.09Å; K271-E324 IonicContact NZ-OE2 3.93Å; K271-E324 PolarHBondContact NZ-OE2 3.5Å; E324-G326 PolarHBondContact O-N 2.85Å |
| 325 | E | 87.4 | Confident | 66.9 | Low | 67 Ų | 67 | 46.1 Ų | 46.1 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | trans | -59.7 | 132.5 | -167.2 | -68.9 | 175.3 | -147 | 0 | 0 | 113.9 | K168 K170 W171 N323 | K168-E325 WeakPolarHBondContact CE-OE2 3.4Å; K168-E325 IonicContact NZ-OE1 3.95Å; K168-E325 PolarHBondContact NZ-OE1 2.96Å; K168-E325 IonicContact NZ-OE2 3.09Å; K168-E325 PolarHBondContact NZ-OE2 3.48Å; K170-E325 WeakPolarHBondContact CA-O 3.33Å; W171-E325 VanDerWaalsContact CD1-O 3.3Å; W171-E325 PolarHBondContact N-O 3.35Å; N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact ND2-OE1 2.85Å; N323-E325 PolarHBondContact O-N 3.18Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 PolarHBondContact OD1-N 3.33Å | ||
| 326 | G | 71.9 | Confident | 63.8 | Low | 19 Ų | 19 | 53.8 Ų | 53.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | -176.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K170 E324 | K170-G326 WeakPolarHBondContact CD-O 3.49Å; E324-G326 PolarHBondContact O-N 2.85Å |
| 327 | T | 47.9 | Very low | 60.6 | Low | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | trans | -73.6 | 137.6 | 167.2 | 40 | 0 | 0 | 0 | 0 | 111.5 | Q83 K170 W171 A222 A329 A330 | Q83-T327 HydrophobicContact CB-CG2 4.22Å; Q83-T327 HydrophobicContact CG-CG2 4.4Å; K170-T327 HydrophobicContact CB-CG2 4.23Å; K170-T327 HydrophobicContact CD-CG2 4.12Å; W171-T327 PolarHBondContact O-N 2.92Å; A222-T327 HydrophobicContact CB-CG2 3.36Å; T327-A329 PolarHBondContact O-N 3.13Å; T327-A329 VanDerWaalsContact O-N 3.12Å; T327-A330 WeakPolarHBondContact O-CB 3.43Å; T327-A330 PolarHBondContact O-N 3.5Å; T327-A330 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 328 | E | 36 | Very low | 57.8 | Low | 185 Ų | 185 | 63.3 Ų | 63.3 | 86% | 0.864 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -54 | -32.7 | 177.5 | -168.9 | 177.2 | 174.7 | 0 | 0 | 112.5 | A330 | E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.9Å |
| 329 | A | 34.8 | Very low | 54.9 | Low | 98 Ų | 98 | 67 Ų | 67 | 81% | 0.81 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -77 | -8.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | T327 | T327-A329 PolarHBondContact O-N 3.13Å; T327-A329 VanDerWaalsContact O-N 3.12Å |
| 330 | A | 31.7 | Very low | 52 | Low | 27 Ų | 27 | 75.5 Ų | 75.5 | 22% | 0.223 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -96.7 | -4.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N172 T327 E328 A332 S333 | N172-A330 WeakPolarHBondContact O-CB 3.5Å; T327-A330 WeakPolarHBondContact O-CB 3.43Å; T327-A330 PolarHBondContact O-N 3.5Å; T327-A330 WeakPolarHBondContact OG1-CB 3.34Å; E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.9Å; A330-A332 PolarHBondContact O-N 2.94Å; A330-S333 PolarHBondContact O-N 3.39Å |
| 331 | A | 28.6 | Very low | 48.8 | Very low | 88 Ų | 88 | 80.2 Ų | 80.2 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 13.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 332 | A | 26.3 | Very low | 46.1 | Very low | 92 Ų | 92 | 85.8 Ų | 85.8 | 76% | 0.76 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 27.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A330 S334 | A330-A332 PolarHBondContact O-N 2.94Å; A332-S334 PolarHBondContact O-N 3.11Å |
| 333 | S | 35 | Very low | 43.4 | Very low | 99 Ų | 99 | 91.3 Ų | 91.3 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | trans | -79.6 | 99.9 | 159.4 | -103.9 | 0 | 0 | 0 | 0 | 108.2 | A330 C335 | A330-S333 PolarHBondContact O-N 3.39Å; S333-C335 PolarHBondContact O-N 2.92Å | ||
| 334 | S | 27.8 | Very low | 41.1 | Very low | 79 Ų | 79 | 99.6 Ų | 99.6 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | trans | -47 | 127.2 | 169.8 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | A332 F336 | A332-S334 PolarHBondContact O-N 3.11Å; S334-F336 PolarHBondContact O-N 3.31Å | ||
| 335 | C | 27.6 | Very low | 39.4 | Very low | 110 Ų | 110 | 104.7 Ų | 104.7 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | trans | -52.7 | 104.9 | 165.8 | -167.6 | 0 | 0 | 0 | 0 | 108.7 | S333 V337 | S333-C335 PolarHBondContact O-N 2.92Å; C335-V337 PolarHBondContact O-N 2.63Å | ||
| 336 | F | 31.1 | Very low | 38.7 | Very low | 170 Ų | 170 | 103.1 Ų | 103.1 | 75% | 0.746 | 64% | 0.643 | S | S | * | * | trans | -75.2 | 100 | 161.6 | -72 | -80.8 | 0 | 0 | 0 | 105.8 | S334 V338 | S334-F336 PolarHBondContact O-N 3.31Å; F336-V338 HydrophobicContact CB-CG2 4.14Å; F336-V338 PolarHBondContact O-N 3.32Å | ||
| 337 | V | 31.2 | Very low | 39.5 | Very low | 131 Ų | 131 | 105 Ų | 105 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | trans | -67.5 | 90 | 159.3 | -179.6 | 0 | 0 | 0 | 0 | 105.2 | C335 A339 | C335-V337 PolarHBondContact O-N 2.63Å; V337-A339 PolarHBondContact O-N 3.21Å | ||
| 338 | V | 37.8 | Very low | 41.8 | Very low | 88 Ų | 88 | 109.9 Ų | 109.9 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | trans | -70.8 | 116.5 | 172 | -172 | 0 | 0 | 0 | 0 | 106.3 | F336 E340 M343 | F336-V338 HydrophobicContact CB-CG2 4.14Å; F336-V338 PolarHBondContact O-N 3.32Å; V338-E340 PolarHBondContact O-N 2.82Å; V338-M343 HydrophobicContact CG1-SD 3.76Å | ||
| 339 | A | 33.9 | Very low | 44.7 | Very low | 76 Ų | 76 | 101 Ų | 101 | 63% | 0.628 | 63% | 0.626 | S | S | * | * | trans | -58.4 | 128.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V337 C341 | V337-A339 PolarHBondContact O-N 3.21Å; A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.79Å | ||
| 340 | E | 33 | Very low | 47.7 | Very low | 201 Ų | 201 | 97.2 Ų | 97.2 | 94% | 0.939 | 59% | 0.593 | S | S | * | * | trans | -60.7 | 83.8 | 175.2 | -73 | 172.2 | 145.3 | 0 | 0 | 110.9 | V338 | V338-E340 PolarHBondContact O-N 2.82Š| ||
| 341 | C | 28.6 | Very low | 50.8 | Low | 99 Ų | 99 | 96 Ų | 96 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -137.2 | 93 | 170.7 | -78.7 | 0 | 0 | 0 | 0 | 108.4 | A339 M343 | A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.79Å; C341-M343 PolarHBondContact O-N 3.45Å |
| 342 | C | 34.7 | Very low | 54.1 | Low | 135 Ų | 135 | 92.9 Ų | 92.9 | 91% | 0.912 | 55% | 0.554 | S | S | * | * | trans | 60.5 | 37.4 | 157.7 | -49.8 | 0 | 0 | 0 | 0 | 117.1 | E344 | C342-E344 PolarHBondContact O-N 3.44Š| ||
| 343 | M | 38.7 | Very low | 57.4 | Low | 117 Ų | 117 | 89.6 Ų | 89.6 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | trans | -73.6 | 114.1 | 172.5 | -60.3 | -157.9 | 82 | 0 | 0 | 109.5 | V338 C341 S345 | V338-M343 HydrophobicContact CG1-SD 3.76Å; C341-M343 PolarHBondContact O-N 3.45Å; M343-S345 PolarHBondContact O-N 2.82Å; M343-S345 VanDerWaalsContact O-N 3.17Å | ||
| 344 | E | 45.8 | Very low | 60.4 | Low | 184 Ų | 184 | 86 Ų | 86 | 86% | 0.86 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 122.3 | 154.4 | -70.1 | 177.6 | 163.5 | 0 | 0 | 106.4 | C342 G346 | C342-E344 PolarHBondContact O-N 3.44Å; E344-G346 PolarHBondContact O-N 3.07Å |
| 345 | S | 58.7 | Low | 63.7 | Low | 112 Ų | 112 | 82.2 Ų | 82.2 | 78% | 0.783 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 116.6 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | M343 | M343-S345 PolarHBondContact O-N 2.82Å; M343-S345 VanDerWaalsContact O-N 3.17Å |
| 346 | G | 71.3 | Confident | 67 | Low | 34 Ų | 34 | 77 Ų | 77 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E344 R348 | E344-G346 PolarHBondContact O-N 3.07Å; G346-R348 PolarHBondContact O-N 2.85Å |
| 347 | P | 90 | Very high | 70.2 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 140.3 | 173.3 | 24.7 | -30.8 | 0 | 0 | 0 | 109.8 | L206 T263 E264 V265 E266 | L206-P347 HydrophobicContact CD2-CB 4.18Å; L206-P347 HydrophobicContact CD2-CG 4.39Å; T263-P347 HydrophobicContact CG2-CG 3.35Å; E264-P347 WeakPolarHBondContact O-CD 3.44Å; E264-P347 WeakPolarHBondContact O-CG 3.26Å; V265-P347 WeakPolarHBondContact CA-O 3.27Å; V265-P347 HydrophobicContact CB-CG 4.41Å; V265-P347 VanDerWaalsContact CG2-O 3.29Å; V265-P347 WeakPolarHBondContact CG2-O 3.27Å; E266-P347 PolarHBondContact N-O 3.32Å; E266-P347 VanDerWaalsContact N-O 3.11Å |
| 348 | R | 94.7 | Very high | 73.4 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.6 | 177.9 | -179.5 | 173.7 | 165.6 | -161.2 | -8 | 109.7 | E266 L268 G346 C350 | E266-R348 HydrophobicContact CB-CB 4.29Å; E266-R348 HydrophobicContact CB-CG 4.09Å; L268-R348 HydrophobicContact CD1-CG 3.86Å; L268-R348 VanDerWaalsContact CD1-NE 3.35Å; G346-R348 PolarHBondContact O-N 2.85Å; R348-C350 HydrophobicContact CG-CB 4.4Å; R348-C350 PolarHBondContact NH2-SG 3.47Å; R348-C350 VanDerWaalsContact NH2-SG 3.44Å |
| 349 | F | 97.6 | Very high | 76.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 102.5 | 173.5 | -172 | -83.6 | 0 | 0 | 0 | 108.5 | L206 Q215 L217 V230 L232 V265 E266 L268 A351 | L206-F349 HydrophobicContact CD1-CD2 3.82Å; L206-F349 HydrophobicContact CD1-CE2 4.43Å; Q215-F349 HydrophobicContact CB-CD2 3.82Å; Q215-F349 HydrophobicContact CB-CE2 3.58Å; Q215-F349 VanDerWaalsContact OE1-CD2 3.26Å; L217-F349 HydrophobicContact CB-CD1 4.25Å; L217-F349 HydrophobicContact CB-CD2 3.81Å; L217-F349 HydrophobicContact CB-CE1 4.01Å; L217-F349 HydrophobicContact CB-CE2 3.54Å; L217-F349 HydrophobicContact CB-CG 4.15Å; L217-F349 HydrophobicContact CB-CZ 3.65Å; L217-F349 HydrophobicContact CD2-CB 4.42Å; L217-F349 HydrophobicContact CD2-CD1 3.57Å; L217-F349 HydrophobicContact CD2-CD2 4.4Å; L217-F349 HydrophobicContact CD2-CE1 3.83Å; L217-F349 HydrophobicContact CD2-CG 3.87Å; L217-F349 HydrophobicContact CD2-CZ 4.34Å; L217-F349 HydrophobicContact CG-CG 4.49Å; V230-F349 HydrophobicContact CB-CE1 4.06Å; V230-F349 HydrophobicContact CB-CZ 3.82Å; V230-F349 HydrophobicContact CG1-CE1 3.81Å; V230-F349 HydrophobicContact CG1-CZ 3.68Å; L232-F349 HydrophobicContact CB-CE1 4.35Å; L232-F349 HydrophobicContact CB-CE2 3.89Å; L232-F349 HydrophobicContact CB-CZ 3.55Å; L232-F349 HydrophobicContact CD2-CD1 4.33Å; L232-F349 HydrophobicContact CD2-CD2 4.4Å; L232-F349 HydrophobicContact CD2-CE1 4Å; L232-F349 HydrophobicContact CD2-CE2 4.08Å; L232-F349 HydrophobicContact CD2-CZ 3.87Å; L232-F349 HydrophobicContact CG-CZ 4.37Å; V265-F349 HydrophobicContact CG2-CB 3.93Å; E266-F349 PolarHBondContact O-N 3.32Å; L268-F349 PolarHBondContact N-O 2.82Å; F349-A351 HydrophobicContact CE1-CB 4.14Å |
| 350 | C | 97.7 | Very high | 79.2 | Confident | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 95.4 | -174.1 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | L232 L268 R348 D352 | L232-C350 WeakPolarHBondContact CD2-O 3.41Å; L268-C350 HydrophobicContact CB-CB 4.49Å; L268-C350 HydrophobicContact CD1-CB 4.24Å; R348-C350 HydrophobicContact CG-CB 4.4Å; R348-C350 PolarHBondContact NH2-SG 3.47Å; R348-C350 VanDerWaalsContact NH2-SG 3.44Å; C350-D352 PolarHBondContact O-N 3.32Å |
| 351 | A | 97.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -78 | 61.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F185 L232 L268 L269 P270 F349 F355 | F185-A351 WeakPolarHBondContact CE2-O 3.31Å; L232-A351 HydrophobicContact CD1-CB 4.3Å; L232-A351 HydrophobicContact CD2-CB 4.41Å; L268-A351 PolarHBondContact O-N 3.11Å; L269-A351 HydrophobicContact CD1-CB 4.17Å; P270-A351 WeakPolarHBondContact CD-O 3.19Å; P270-A351 VanDerWaalsContact CG-O 3.29Å; P270-A351 WeakPolarHBondContact CG-O 3.5Å; F349-A351 HydrophobicContact CE1-CB 4.14Å; A351-F355 HydrophobicContact CB-CD1 3.8Å; A351-F355 HydrophobicContact CB-CE1 3.77Å | ||
| 352 | D | 96.9 | Very high | 85.2 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | trans | -97.5 | 12.8 | -175.2 | 75.6 | -2.4 | 0 | 0 | 0 | 114.4 | F185 K186 M197 C350 | F185-D352 CarbonylContact C-O 3.57Å; F185-D352 WeakPolarHBondContact CA-O 3.5Å; K186-D352 WeakPolarHBondContact CE-OD2 3.4Å; K186-D352 PolarHBondContact N-O 3.21Å; K186-D352 IonicContact NZ-OD1 3.96Å; K186-D352 PolarHBondContact NZ-OD1 2.91Å; K186-D352 IonicContact NZ-OD2 2.7Å; K186-D352 PolarHBondContact NZ-OD2 2.98Å; M197-D352 HydrophobicContact CE-CB 4.32Å; C350-D352 PolarHBondContact O-N 3.32Å | ||
| 353 | H | 96.2 | Very high | 87.9 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 11% | 0.111 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -155.8 | 169.6 | 180 | 61.5 | -88.4 | 0 | 0 | 0 | 109.7 | F185 K186 L232 P233 F355 | F185-H353 WeakPolarHBondContact CZ-O 3.29Å; K186-H353 HydrophobicContact CB-CB 4.14Å; K186-H353 WeakPolarHBondContact O-CA 3.35Å; L232-H353 WeakPolarHBondContact CD1-NE2 3.46Å; P233-H353 PolarHBondContact O-NE2 3.42Å; H353-F355 WeakPolarHBondContact O-CD1 3.36Å; H353-F355 PolarHBondContact O-N 3.25Å |
| 354 | P | 96.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | trans | -51.2 | 129.7 | -171.4 | -31.4 | 32 | 0 | 0 | 0 | 115.3 | F185 K186 I187 P233 L239 F373 | F185-P354 HydrophobicContact CE1-CG 4.41Å; K186-P354 WeakPolarHBondContact O-CD 3.49Å; I187-P354 WeakPolarHBondContact O-CG 3.36Å; P233-P354 WeakPolarHBondContact CD-O 3.41Å; L239-P354 HydrophobicContact CB-CB 4.38Å; L239-P354 HydrophobicContact CD2-CB 3.82Å; P354-F373 WeakPolarHBondContact CA-O 3.49Å | ||
| 355 | F | 97.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.3 | -179.9 | 60.7 | -98.5 | 0 | 0 | 0 | 112.4 | F185 V230 L232 L269 P270 F272 A351 H353 F357 R372 F373 | F185-F355 HydrophobicContact CE2-CD1 4.44Å; F185-F355 HydrophobicContact CE2-CE1 4.16Å; V230-F355 HydrophobicContact CG1-CB 4.32Å; V230-F355 HydrophobicContact CG1-CD2 3.62Å; V230-F355 HydrophobicContact CG1-CE2 4.06Å; V230-F355 HydrophobicContact CG1-CG 3.99Å; L232-F355 HydrophobicContact CB-CB 4.47Å; L232-F355 HydrophobicContact CD1-CB 3.86Å; L232-F355 HydrophobicContact CD1-CD1 4.46Å; L269-F355 HydrophobicContact CD1-CZ 4.36Å; P270-F355 HydrophobicContact CG-CE1 4.12Å; F272-F355 HydrophobicContact CE1-CZ 4.21Å; A351-F355 HydrophobicContact CB-CD1 3.8Å; A351-F355 HydrophobicContact CB-CE1 3.77Å; H353-F355 WeakPolarHBondContact O-CD1 3.36Å; H353-F355 PolarHBondContact O-N 3.25Å; F355-F357 HydrophobicContact CD2-CB 4.28Å; F355-F357 HydrophobicContact CD2-CD1 4.39Å; F355-F357 HydrophobicContact CE2-CB 4.18Å; F355-F357 HydrophobicContact CE2-CD1 4.03Å; F355-F357 HydrophobicContact CE2-CG 4.46Å; F355-R372 WeakPolarHBondContact O-CA 3.46Å; F355-F373 HydrophobicContact CD1-CB 4.4Å; F355-F373 HydrophobicContact CD1-CD1 4.29Å; F355-F373 HydrophobicContact CD2-CB 4.16Å; F355-F373 HydrophobicContact CE1-CB 3.92Å; F355-F373 AromaticContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CD1 3.44Å; F355-F373 VanDerWaalsContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CE1 4.31Å; F355-F373 HydrophobicContact CE1-CG 4.01Å; F355-F373 HydrophobicContact CE2-CB 3.65Å; F355-F373 HydrophobicContact CE2-CG 4.37Å; F355-F373 HydrophobicContact CZ-CB 3.51Å; F355-F373 AromaticContact CZ-CD1 3.62Å; F355-F373 HydrophobicContact CZ-CD1 3.62Å; F355-F373 AromaticContact CZ-CG 3.74Å; F355-F373 HydrophobicContact CZ-CG 3.74Å; F355-F373 PolarHBondContact N-O 2.82Å; F355-F373 VanDerWaalsContact N-O 3.09Å; F355-F373 PolarHBondContact O-N 3.26Å |
| 356 | L | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 146.7 | 167.5 | -63.9 | -179.2 | 0 | 0 | 0 | 110 | L16 L231 L239 V242 E243 L246 F358 G371 R372 | L16-L356 HydrophobicContact CD2-CD1 4.41Å; L16-L356 HydrophobicContact CD2-CD2 4.3Å; L231-L356 HydrophobicContact CB-CB 4.33Å; L231-L356 PolarHBondContact N-O 2.93Å; L231-L356 PolarHBondContact O-N 2.81Å; L239-L356 HydrophobicContact CD1-CG 4.04Å; L239-L356 HydrophobicContact CD2-CD2 4.34Å; V242-L356 HydrophobicContact CG1-CD1 4.5Å; E243-L356 HydrophobicContact CG-CD1 4.06Å; E243-L356 HydrophobicContact CG-CD2 4.22Å; E243-L356 HydrophobicContact CG-CG 4.48Å; L246-L356 HydrophobicContact CD2-CD1 3.72Å; L356-F358 HydrophobicContact CB-CE2 3.96Å; L356-F358 HydrophobicContact CB-CZ 4.15Å; L356-F358 HydrophobicContact CD1-CZ 4.32Å; L356-G371 WeakPolarHBondContact CA-O 3.33Å; L356-R372 HydrophobicContact CD2-CB 3.82Å; L356-R372 HydrophobicContact CD2-CG 4.26Å |
| 357 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.3 | 173.3 | 70 | -86.5 | 0 | 0 | 0 | 112.3 | F29 L228 L229 F272 L274 F355 C370 G371 F373 | F29-F357 AromaticContact CD2-CE2 3.76Å; F29-F357 HydrophobicContact CD2-CE2 3.76Å; F29-F357 AromaticContact CD2-CZ 3.59Å; F29-F357 HydrophobicContact CD2-CZ 3.59Å; F29-F357 AromaticContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CZ 4.16Å; F29-F357 HydrophobicContact CG-CZ 4.48Å; L228-F357 HydrophobicContact CD1-CB 4.01Å; L228-F357 HydrophobicContact CD1-CD2 3.91Å; L228-F357 HydrophobicContact CD1-CG 4.38Å; L229-F357 CarbonylContact O-C 3.53Å; L229-F357 WeakPolarHBondContact O-CA 3.5Å; F272-F357 HydrophobicContact CE2-CZ 4.36Å; F272-F357 HydrophobicContact CZ-CE1 4.46Å; F272-F357 HydrophobicContact CZ-CZ 4.49Å; L274-F357 HydrophobicContact CD1-CE1 3.8Å; L274-F357 HydrophobicContact CD1-CZ 3.68Å; F355-F357 HydrophobicContact CD2-CB 4.28Å; F355-F357 HydrophobicContact CD2-CD1 4.39Å; F355-F357 HydrophobicContact CE2-CB 4.18Å; F355-F357 HydrophobicContact CE2-CD1 4.03Å; F355-F357 HydrophobicContact CE2-CG 4.46Å; F357-C370 CarbonylContact O-C 3.57Å; F357-C370 WeakPolarHBondContact O-CA 3.46Å; F357-G371 PolarHBondContact N-O 3.12Å; F357-G371 PolarHBondContact O-N 2.96Å; F357-F373 HydrophobicContact CD1-CB 4.43Å; F357-F373 HydrophobicContact CE1-CB 4.39Å |
| 358 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.2 | -179.2 | -51 | -92.2 | 0 | 0 | 0 | 109.8 | I13 L16 L228 L229 L246 L251 L356 I367 F369 C370 | I13-F358 HydrophobicContact CD1-CE1 3.8Å; I13-F358 HydrophobicContact CD1-CZ 4.35Å; L16-F358 HydrophobicContact CD2-CE1 3.86Å; L16-F358 HydrophobicContact CD2-CZ 4.02Å; L228-F358 CarbonylContact C-O 3.57Å; L228-F358 WeakPolarHBondContact CA-O 3.47Å; L229-F358 HydrophobicContact CB-CB 4.23Å; L229-F358 HydrophobicContact CB-CD2 4.42Å; L229-F358 HydrophobicContact CD1-CB 4.43Å; L229-F358 PolarHBondContact N-O 3.39Å; L229-F358 PolarHBondContact O-N 2.92Å; L246-F358 HydrophobicContact CD2-CE1 4.46Å; L246-F358 HydrophobicContact CD2-CZ 3.75Å; L251-F358 HydrophobicContact CD1-CD2 4.46Å; L251-F358 HydrophobicContact CD1-CE2 4.45Å; L251-F358 HydrophobicContact CD2-CD1 4.11Å; L251-F358 HydrophobicContact CD2-CD2 4.2Å; L251-F358 HydrophobicContact CD2-CE1 4.21Å; L251-F358 HydrophobicContact CD2-CE2 4.31Å; L251-F358 HydrophobicContact CD2-CG 4.13Å; L251-F358 HydrophobicContact CD2-CZ 4.33Å; L356-F358 HydrophobicContact CB-CE2 3.96Å; L356-F358 HydrophobicContact CB-CZ 4.15Å; L356-F358 HydrophobicContact CD1-CZ 4.32Å; F358-I367 HydrophobicContact CB-CG2 4.46Å; F358-I367 HydrophobicContact CD1-CD1 4.16Å; F358-I367 HydrophobicContact CD1-CG2 4.12Å; F358-F369 CarbonylContact C-O 3.52Å; F358-F369 WeakPolarHBondContact CA-O 3.42Å; F358-C370 HydrophobicContact CD1-CB 3.52Å; F358-C370 HydrophobicContact CE1-CB 3.74Å |
| 359 | I | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.4 | 170.9 | -58.3 | 175.9 | 0 | 0 | 0 | 107 | F167 Y221 L226 S227 L228 V320 L368 F369 | F167-I359 HydrophobicContact CD1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CG2 4.25Å; F167-I359 HydrophobicContact CZ-CD1 4.49Å; F167-I359 HydrophobicContact CZ-CG2 4.17Å; Y221-I359 HydrophobicContact CE2-CG2 4.26Å; L226-I359 HydrophobicContact CD1-CG2 4.33Å; S227-I359 WeakPolarHBondContact O-CA 3.45Å; L228-I359 HydrophobicContact CD1-CG1 3.83Å; V320-I359 HydrophobicContact CG2-CD1 4.17Å; I359-L368 WeakPolarHBondContact O-CB 3.36Å; I359-L368 PolarHBondContact O-N 3.41Å; I359-F369 HydrophobicContact CB-CB 4.07Å; I359-F369 HydrophobicContact CB-CD2 3.97Å; I359-F369 HydrophobicContact CD1-CB 4.21Å; I359-F369 HydrophobicContact CD1-CD2 4.09Å; I359-F369 HydrophobicContact CD1-CG 4.38Å; I359-F369 HydrophobicContact CG1-CB 4.31Å; I359-F369 HydrophobicContact CG2-CD2 4.19Å; I359-F369 PolarHBondContact N-O 3.42Å; I359-F369 PolarHBondContact O-N 3.17Å |
| 360 | R | 96.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 9% | 0.094 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.4 | -175.8 | -178.4 | -179.8 | 65.3 | -170.5 | -5.7 | 110.6 | E218 L226 S227 L229 T255 N362 S366 | E218-R360 IonicContact OE1-NH2 3.53Å; E218-R360 PolarHBondContact OE1-NH2 2.94Å; E218-R360 IonicContact OE2-NH2 2.98Å; L226-R360 CarbonylContact C-O 3.4Å; L226-R360 WeakPolarHBondContact CA-O 3.28Å; S227-R360 PolarHBondContact N-O 2.81Å; S227-R360 PolarHBondContact O-N 2.81Å; L229-R360 HydrophobicContact CD1-CB 4.35Å; T255-R360 PolarHBondContact OG1-NH1 3.39Å; R360-N362 PolarHBondContact NE-OD1 2.99Å; R360-N362 PolarHBondContact O-N 3.31Å; R360-S366 CarbonylContact C-O 3.54Å; R360-S366 WeakPolarHBondContact CA-O 3.46Å |
| 361 | H | 94.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 107.2 | 163.8 | -172.6 | -86.7 | 0 | 0 | 0 | 109.9 | E76 L226 R363 A364 N365 S366 L368 | E76-H361 IonicContact OE1-CE1 3.38Å; L226-H361 HydrophobicContact CD2-CB 3.76Å; L226-H361 VanDerWaalsContact CD2-CD2 3.46Å; L226-H361 WeakPolarHBondContact CD2-CD2 2.88Å; H361-R363 PolarHBondContact O-N 3.24Å; H361-A364 HydrophobicContact CB-CB 4.32Å; H361-A364 WeakPolarHBondContact ND1-CB 3.29Å; H361-A364 PolarHBondContact ND1-N 2.94Å; H361-A364 VanDerWaalsContact ND1-N 3.17Å; H361-A364 PolarHBondContact O-N 3.1Å; H361-N365 WeakPolarHBondContact O-CA 3.44Å; H361-N365 PolarHBondContact O-N 3.24Å; H361-S366 PolarHBondContact N-O 3.4Å; H361-S366 PolarHBondContact O-N 3.11Å; H361-L368 HydrophobicContact CB-CD1 4.09Å; H361-L368 HydrophobicContact CB-CD2 4.21Å; H361-L368 HydrophobicContact CB-CG 4.03Å |
| 362 | N | 93.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 18.8 Ų | 18.8 | 23% | 0.23 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -41.9 | -165.1 | -69.7 | -27.9 | 0 | 0 | 0 | 113 | K224 E225 S227 R360 A364 | K224-N362 PolarHBondContact O-ND2 3.38Å; E225-N362 PolarHBondContact O-N 2.81Å; S227-N362 PolarHBondContact OG-ND2 2.84Å; S227-N362 PolarHBondContact OG-OD1 3.39Å; R360-N362 PolarHBondContact NE-OD1 2.99Å; R360-N362 PolarHBondContact O-N 3.31Å; N362-A364 PolarHBondContact O-N 3.49Å |
| 363 | R | 90.7 | Very high | 95.6 | Very high | 183 Ų | 183 | 17.8 Ų | 17.8 | 69% | 0.691 | 8% | 0.081 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -32.9 | 179.3 | -175.1 | -177.4 | -176.9 | -163.5 | 2.7 | 113.4 | E76 H361 | E76-R363 VanDerWaalsContact CD-NH1 3.27Å; E76-R363 WeakPolarHBondContact OE1-CD 3.45Å; E76-R363 IonicContact OE1-CZ 3.02Å; E76-R363 IonicContact OE1-NH1 3.92Å; E76-R363 PolarHBondContact OE1-NH1 3.38Å; E76-R363 IonicContact OE2-CZ 3.59Å; E76-R363 IonicContact OE2-NH1 2.98Å; E76-R363 PolarHBondContact OE2-NH1 3.08Å; H361-R363 PolarHBondContact O-N 3.24Å |
| 364 | A | 90.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 7% | 0.074 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -11.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 L73 H361 N362 S366 | S5-A364 PolarHBondContact OG-O 3.43Å; L73-A364 HydrophobicContact CD1-CB 3.84Å; H361-A364 HydrophobicContact CB-CB 4.32Å; H361-A364 WeakPolarHBondContact ND1-CB 3.29Å; H361-A364 PolarHBondContact ND1-N 2.94Å; H361-A364 VanDerWaalsContact ND1-N 3.17Å; H361-A364 PolarHBondContact O-N 3.1Å; N362-A364 PolarHBondContact O-N 3.49Å; A364-S366 PolarHBondContact O-N 2.97Å; A364-S366 PolarHBondContact O-OG 2.89Å |
| 365 | N | 91.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 16.4 Ų | 16.4 | 26% | 0.262 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 21.1 | -169.1 | -161 | 35.3 | 0 | 0 | 0 | 114.5 | S5 H361 | S5-N365 PolarHBondContact OG-O 3.4Å; H361-N365 WeakPolarHBondContact O-CA 3.44Å; H361-N365 PolarHBondContact O-N 3.24Å |
| 366 | S | 93.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.4 | -176.1 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | R360 H361 A364 L368 | R360-S366 CarbonylContact C-O 3.54Å; R360-S366 WeakPolarHBondContact CA-O 3.46Å; H361-S366 PolarHBondContact N-O 3.4Å; H361-S366 PolarHBondContact O-N 3.11Å; A364-S366 PolarHBondContact O-N 2.97Å; A364-S366 PolarHBondContact O-OG 2.89Å; S366-L368 PolarHBondContact O-N 2.91Å |
| 367 | I | 96.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 102.3 | 170.4 | -61.1 | 174.4 | 0 | 0 | 0 | 108.5 | A12 I13 V33 F248 L251 F358 F369 C370 | A12-I367 HydrophobicContact CB-CB 4.39Å; A12-I367 HydrophobicContact CB-CD1 4.23Å; A12-I367 HydrophobicContact CB-CG2 4.35Å; I13-I367 HydrophobicContact CD1-CD1 4.43Å; V33-I367 WeakPolarHBondContact CG2-O 3.32Å; F248-I367 HydrophobicContact CD2-CD1 3.67Å; F248-I367 HydrophobicContact CE2-CD1 3.64Å; F248-I367 HydrophobicContact CE2-CG1 3.99Å; L251-I367 HydrophobicContact CD2-CD1 3.87Å; F358-I367 HydrophobicContact CB-CG2 4.46Å; F358-I367 HydrophobicContact CD1-CD1 4.16Å; F358-I367 HydrophobicContact CD1-CG2 4.12Å; I367-F369 VanDerWaalsContact CG2-O 3.22Å; I367-F369 WeakPolarHBondContact CG2-O 3.16Å; I367-C370 HydrophobicContact CG2-CB 4.08Å |
| 368 | L | 95.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -41.1 | 176.9 | -61.6 | -172.4 | 0 | 0 | 0 | 111.1 | S31 V33 V77 L226 I359 H361 S366 | S31-L368 VanDerWaalsContact CA-O 3.26Å; S31-L368 WeakPolarHBondContact CA-O 3.35Å; S31-L368 VanDerWaalsContact CB-O 3.28Å; S31-L368 WeakPolarHBondContact CB-O 3.36Å; S31-L368 PolarHBondContact OG-O 2.86Å; V33-L368 HydrophobicContact CB-CD2 4.44Å; V33-L368 HydrophobicContact CG1-CD2 4.3Å; V33-L368 HydrophobicContact CG2-CD2 4.46Å; V77-L368 HydrophobicContact CG1-CD1 3.97Å; V77-L368 HydrophobicContact CG1-CD2 3.99Å; V77-L368 HydrophobicContact CG2-CD2 3.93Å; L226-L368 HydrophobicContact CD1-CD1 4.34Å; L226-L368 HydrophobicContact CD2-CD1 3.62Å; I359-L368 WeakPolarHBondContact O-CB 3.36Å; I359-L368 PolarHBondContact O-N 3.41Å; H361-L368 HydrophobicContact CB-CD1 4.09Å; H361-L368 HydrophobicContact CB-CD2 4.21Å; H361-L368 HydrophobicContact CB-CG 4.03Å; S366-L368 PolarHBondContact O-N 2.91Å |
| 369 | F | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.7 | 177.8 | -55.9 | -92.2 | 0 | 0 | 0 | 110.8 | F29 C30 L86 I165 F167 F358 I359 I367 | F29-F369 HydrophobicContact CE1-CD1 4.04Å; F29-F369 HydrophobicContact CE1-CE1 4.41Å; F29-F369 HydrophobicContact CE2-CB 3.57Å; F29-F369 AromaticContact CE2-CD1 3.76Å; F29-F369 HydrophobicContact CE2-CD1 3.76Å; F29-F369 AromaticContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CZ-CB 3.94Å; F29-F369 AromaticContact CZ-CD1 3.21Å; F29-F369 HydrophobicContact CZ-CD1 3.21Å; F29-F369 AromaticContact CZ-CE1 3.85Å; F29-F369 HydrophobicContact CZ-CE1 3.85Å; F29-F369 AromaticContact CZ-CG 3.76Å; F29-F369 HydrophobicContact CZ-CG 3.76Å; C30-F369 VanDerWaalsContact O-CA 3.32Å; C30-F369 WeakPolarHBondContact O-CA 3.31Å; L86-F369 HydrophobicContact CD1-CE2 3.9Å; L86-F369 HydrophobicContact CD1-CZ 3.73Å; I165-F369 HydrophobicContact CB-CE1 4.45Å; I165-F369 HydrophobicContact CD1-CE1 3.84Å; I165-F369 HydrophobicContact CD1-CE2 4.5Å; I165-F369 HydrophobicContact CD1-CZ 3.53Å; I165-F369 HydrophobicContact CG1-CE1 3.93Å; I165-F369 HydrophobicContact CG1-CZ 3.73Å; I165-F369 HydrophobicContact CG2-CE1 3.78Å; I165-F369 HydrophobicContact CG2-CZ 4.47Å; F167-F369 HydrophobicContact CB-CD2 4.4Å; F167-F369 HydrophobicContact CB-CE1 4.25Å; F167-F369 HydrophobicContact CB-CE2 3.56Å; F167-F369 HydrophobicContact CB-CZ 3.47Å; F167-F369 VanDerWaalsContact CB-CZ 3.47Å; F167-F369 HydrophobicContact CD2-CE2 4.12Å; F167-F369 HydrophobicContact CG-CD2 4.44Å; F167-F369 AromaticContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CZ 4.25Å; F358-F369 CarbonylContact C-O 3.52Å; F358-F369 WeakPolarHBondContact CA-O 3.42Å; I359-F369 HydrophobicContact CB-CB 4.07Å; I359-F369 HydrophobicContact CB-CD2 3.97Å; I359-F369 HydrophobicContact CD1-CB 4.21Å; I359-F369 HydrophobicContact CD1-CD2 4.09Å; I359-F369 HydrophobicContact CD1-CG 4.38Å; I359-F369 HydrophobicContact CG1-CB 4.31Å; I359-F369 HydrophobicContact CG2-CD2 4.19Å; I359-F369 PolarHBondContact N-O 3.42Å; I359-F369 PolarHBondContact O-N 3.17Å; I367-F369 VanDerWaalsContact CG2-O 3.22Å; I367-F369 WeakPolarHBondContact CG2-O 3.16Å |
| 370 | C | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.7 | 168.1 | 63 | 0 | 0 | 0 | 0 | 110 | L16 F29 C30 P32 F357 F358 I367 | L16-C370 HydrophobicContact CD2-CB 4.36Å; F29-C370 WeakPolarHBondContact CA-O 3.26Å; C30-C370 PolarHBondContact N-O 3.22Å; C30-C370 PolarHBondContact O-N 3.21Å; C30-C370 VanDerWaalsContact O-N 3.11Å; C30-C370 VanDerWaalsContact SG-SG 3.69Å; P32-C370 WeakPolarHBondContact CG-SG 3.37Å; F357-C370 CarbonylContact O-C 3.57Å; F357-C370 WeakPolarHBondContact O-CA 3.46Å; F358-C370 HydrophobicContact CD1-CB 3.52Å; F358-C370 HydrophobicContact CE1-CB 3.74Å; I367-C370 HydrophobicContact CG2-CB 4.08Å |
| 371 | G | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V28 L356 F357 | V28-G371 CarbonylContact O-C 3.58Å; V28-G371 WeakPolarHBondContact O-CA 3.37Å; L356-G371 WeakPolarHBondContact CA-O 3.33Å; F357-G371 PolarHBondContact N-O 3.12Å; F357-G371 PolarHBondContact O-N 2.96Å |
| 372 | R | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.6 | 169.9 | 176.3 | 174.7 | 67.7 | -164.1 | 1.7 | 107.9 | C20 N23 H26 N27 V28 L239 E243 F355 L356 S374 | C20-R372 PolarHBondContact O-NH1 2.85Å; C20-R372 VanDerWaalsContact O-NH1 3.16Å; N23-R372 PolarHBondContact O-NH2 3.03Å; H26-R372 PolarHBondContact O-NE 2.81Å; H26-R372 PolarHBondContact O-NH2 2.94Å; N27-R372 CarbonylContact C-O 3.6Å; N27-R372 WeakPolarHBondContact CA-O 3.42Å; V28-R372 HydrophobicContact CB-CB 4.11Å; V28-R372 HydrophobicContact CG2-CB 4.48Å; V28-R372 PolarHBondContact N-O 2.75Å; V28-R372 PolarHBondContact O-N 3.39Å; L239-R372 VanDerWaalsContact CD2-CD 3.42Å; L239-R372 HydrophobicContact CD2-CG 3.61Å; E243-R372 WeakPolarHBondContact OE1-CD 3.36Å; E243-R372 IonicContact OE1-CZ 2.81Å; E243-R372 IonicContact OE1-NH1 2.87Å; E243-R372 PolarHBondContact OE1-NH1 2.91Å; E243-R372 VanDerWaalsContact OE1-NH1 3.15Å; F355-R372 WeakPolarHBondContact O-CA 3.46Å; L356-R372 HydrophobicContact CD2-CB 3.82Å; L356-R372 HydrophobicContact CD2-CG 4.26Å; R372-S374 WeakPolarHBondContact CD-OG 3.09Å; R372-S374 VanDerWaalsContact CG-OG 3.29Å; R372-S374 WeakPolarHBondContact CG-OG 3.39Å; R372-S374 PolarHBondContact NE-OG 3.17Å |
| 373 | F | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 107 | 168.3 | -173.2 | -98.7 | 0 | 0 | 0 | 107.7 | N27 F185 P270 F272 L274 P354 F355 F357 P376 | N27-F373 WeakPolarHBondContact OD1-CA 3.31Å; F185-F373 AromaticContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CE1-CD1 4.39Å; F185-F373 HydrophobicContact CE1-CE1 4.31Å; F185-F373 AromaticContact CE2-CD1 3.63Å; F185-F373 HydrophobicContact CE2-CD1 3.63Å; F185-F373 AromaticContact CE2-CE1 3.51Å; F185-F373 HydrophobicContact CE2-CE1 3.51Å; F185-F373 AromaticContact CZ-CD1 3.53Å; F185-F373 HydrophobicContact CZ-CD1 3.53Å; F185-F373 AromaticContact CZ-CE1 3.69Å; F185-F373 HydrophobicContact CZ-CE1 3.69Å; P270-F373 HydrophobicContact CB-CE1 3.86Å; P270-F373 HydrophobicContact CB-CZ 4.04Å; P270-F373 HydrophobicContact CG-CD1 4.44Å; P270-F373 HydrophobicContact CG-CE1 3.9Å; F272-F373 HydrophobicContact CB-CD2 4.24Å; F272-F373 HydrophobicContact CB-CE2 3.49Å; F272-F373 VanDerWaalsContact CB-CE2 3.49Å; F272-F373 HydrophobicContact CB-CZ 4.05Å; F272-F373 HydrophobicContact CD1-CD2 4.05Å; F272-F373 AromaticContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CZ 4.36Å; F272-F373 HydrophobicContact CD2-CD2 4.24Å; F272-F373 HydrophobicContact CD2-CE2 4.32Å; F272-F373 HydrophobicContact CE1-CD2 4.44Å; F272-F373 AromaticContact CG-CD2 3.93Å; F272-F373 HydrophobicContact CG-CD2 3.93Å; F272-F373 AromaticContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CZ 4.4Å; L274-F373 HydrophobicContact CD1-CD2 4.32Å; L274-F373 HydrophobicContact CD2-CD2 4.32Å; P354-F373 WeakPolarHBondContact CA-O 3.49Å; F355-F373 HydrophobicContact CD1-CB 4.4Å; F355-F373 HydrophobicContact CD1-CD1 4.29Å; F355-F373 HydrophobicContact CD2-CB 4.16Å; F355-F373 HydrophobicContact CE1-CB 3.92Å; F355-F373 AromaticContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CD1 3.44Å; F355-F373 VanDerWaalsContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CE1 4.31Å; F355-F373 HydrophobicContact CE1-CG 4.01Å; F355-F373 HydrophobicContact CE2-CB 3.65Å; F355-F373 HydrophobicContact CE2-CG 4.37Å; F355-F373 HydrophobicContact CZ-CB 3.51Å; F355-F373 AromaticContact CZ-CD1 3.62Å; F355-F373 HydrophobicContact CZ-CD1 3.62Å; F355-F373 AromaticContact CZ-CG 3.74Å; F355-F373 HydrophobicContact CZ-CG 3.74Å; F355-F373 PolarHBondContact N-O 2.82Å; F355-F373 VanDerWaalsContact N-O 3.09Å; F355-F373 PolarHBondContact O-N 3.26Å; F357-F373 HydrophobicContact CD1-CB 4.43Å; F357-F373 HydrophobicContact CE1-CB 4.39Å; F373-P376 HydrophobicContact CZ-CB 4.1Å |
| 374 | S | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | trans | -115.3 | -24.4 | -178.5 | -72.2 | 0 | 0 | 0 | 0 | 113.4 | P24 N27 F185 R372 | P24-S374 WeakPolarHBondContact O-CB 3.4Å; P24-S374 PolarHBondContact O-OG 2.93Å; N27-S374 PolarHBondContact OD1-N 3.18Å; F185-S374 WeakPolarHBondContact CE1-O 3.36Å; R372-S374 WeakPolarHBondContact CD-OG 3.09Å; R372-S374 VanDerWaalsContact CG-OG 3.29Å; R372-S374 WeakPolarHBondContact CG-OG 3.39Å; R372-S374 PolarHBondContact NE-OG 3.17Å | ||
| 375 | S | 91.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 13.2 Ų | 13.2 | 12% | 0.119 | 8% | 0.08 | C | C | . | . | trans | -139.3 | 135.2 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | N27 R193 | N27-S375 PolarHBondContact ND2-O 3.3Å; N27-S375 PolarHBondContact OD1-N 3.24Å; N27-S375 PolarHBondContact OD1-O 2.78Å; R193-S375 PolarHBondContact NH1-OG 3.37Å | ||
| 376 | P | 86.5 | Confident | 94.7 | Very high | 75 Ų | 75 | 9.9 Ų | 9.9 | 49% | 0.487 | 6% | 0.063 | S | C | . | . | trans | -65.4 | 0 | 166.2 | 31.4 | -35.5 | 0 | 0 | 0 | 112.7 | F185 R193 V195 F373 | F185-P376 HydrophobicContact CB-CG 4.26Å; R193-P376 HydrophobicContact CB-CG 3.79Å; V195-P376 HydrophobicContact CB-CB 3.77Å; V195-P376 HydrophobicContact CB-CG 4.23Å; V195-P376 HydrophobicContact CG2-CB 3.58Å; F373-P376 HydrophobicContact CZ-CB 4.1Å |
Retrieved 376 of 376 residues in 1190.9 ms
(Link to these results)