| 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 | 52.4 | Low | 59.3 | Low | 192 Ų | 192 | 120.5 Ų | 120.5 | 95% | 0.946 | 61% | 0.611 | S | S | * | * | 0 | -57.7 | 0 | -77.7 | -62.7 | -177.9 | 0 | 0 | 112.8 | L3 L4 F5 | M1-L3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-F5 PolarHBondContact O-N 3.47Å; M1-F5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | C | 58.8 | Low | 58.2 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.2 | -43.5 | 179.7 | -69 | 0 | 0 | 0 | 0 | 114.3 | L4 F5 F6 | C2-L4 VanDerWaalsContact C-N 3.32Å; C2-L4 PolarHBondContact O-N 3.23Å; C2-F5 PolarHBondContact O-N 2.62Å; C2-F6 WeakPolarHBondContact O-CD2 3.5Å; C2-F6 PolarHBondContact O-N 3.17Å |
| 3 | L | 61.9 | Low | 57 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -35.4 | 179.8 | -120.7 | 131.3 | 0 | 0 | 0 | 113.2 | M1 L7 | M1-L3 PolarHBondContact O-N 3.32Å; L3-L7 WeakPolarHBondContact O-CB 3.22Å; L3-L7 PolarHBondContact O-N 3.09Å |
| 4 | L | 59.1 | Low | 56 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -38.5 | 177 | -116.2 | 135.4 | 0 | 0 | 0 | 111.2 | M1 C2 L7 T8 | M1-L4 PolarHBondContact O-N 3.13Å; M1-L4 VanDerWaalsContact O-N 3.15Å; C2-L4 VanDerWaalsContact C-N 3.32Å; C2-L4 PolarHBondContact O-N 3.23Å; L4-L7 PolarHBondContact O-N 3.24Å; L4-T8 WeakPolarHBondContact O-CG2 3.3Å; L4-T8 PolarHBondContact O-N 3.22Å; L4-T8 PolarHBondContact O-OG1 3.27Å; L4-T8 VanDerWaalsContact O-OG1 3.07Å |
| 5 | F | 64.8 | Low | 54.8 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 61% | 0.614 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.6 | -40.8 | 175.3 | -158.2 | -95.8 | 0 | 0 | 0 | 111.8 | M1 C2 T8 L9 | M1-F5 PolarHBondContact O-N 3.47Å; M1-F5 VanDerWaalsContact O-N 3.09Å; C2-F5 PolarHBondContact O-N 2.62Å; F5-T8 WeakPolarHBondContact CA-OG1 3.41Å; F5-T8 PolarHBondContact O-N 3.26Å; F5-T8 PolarHBondContact O-OG1 3.49Å; F5-L9 HydrophobicContact CD1-CD1 3.65Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 3.25Å |
| 6 | F | 67.1 | Low | 53.9 | Low | 151 Ų | 151 | 128.4 Ų | 128.4 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.5 | -40 | 171.8 | -89.4 | -76.1 | 0 | 0 | 0 | 112 | C2 L9 F10 | C2-F6 WeakPolarHBondContact O-CD2 3.5Å; C2-F6 PolarHBondContact O-N 3.17Å; F6-L9 PolarHBondContact O-N 3.37Å; F6-F10 WeakPolarHBondContact O-CB 3.36Å; F6-F10 PolarHBondContact O-N 3.31Å |
| 7 | L | 65.6 | Low | 53.2 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 52% | 0.518 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.1 | -41.1 | 176.8 | -133.2 | 102.9 | 0 | 0 | 0 | 111.5 | L3 L4 F10 I11 | L3-L7 WeakPolarHBondContact O-CB 3.22Å; L3-L7 PolarHBondContact O-N 3.09Å; L4-L7 PolarHBondContact O-N 3.24Å; L7-F10 PolarHBondContact O-N 3.14Å; L7-I11 HydrophobicContact CD2-CD1 3.84Å; L7-I11 HydrophobicContact CG-CD1 4.38Å; L7-I11 VanDerWaalsContact O-CB 3.23Å; L7-I11 WeakPolarHBondContact O-CB 3.32Å; L7-I11 WeakPolarHBondContact O-CD1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.25Å; L7-I11 PolarHBondContact O-N 2.67Å |
| 8 | T | 59.3 | Low | 52.8 | Low | 68 Ų | 68 | 129.3 Ų | 129.3 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66 | -43.3 | 175.7 | 47.4 | 0 | 0 | 0 | 0 | 111.2 | L4 F5 F10 I11 Q12 | L4-T8 WeakPolarHBondContact O-CG2 3.3Å; L4-T8 PolarHBondContact O-N 3.22Å; L4-T8 PolarHBondContact O-OG1 3.27Å; L4-T8 VanDerWaalsContact O-OG1 3.07Å; F5-T8 WeakPolarHBondContact CA-OG1 3.41Å; F5-T8 PolarHBondContact O-N 3.26Å; F5-T8 PolarHBondContact O-OG1 3.49Å; T8-F10 VanDerWaalsContact C-N 3.35Å; T8-F10 PolarHBondContact O-N 3.27Å; T8-I11 PolarHBondContact O-N 3.18Å; T8-Q12 VanDerWaalsContact O-CB 3.27Å; T8-Q12 WeakPolarHBondContact O-CB 3.3Å; T8-Q12 PolarHBondContact O-N 3.07Å |
| 9 | L | 56.8 | Low | 52.9 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 45% | 0.445 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62 | -43.1 | 173.6 | -93.5 | 159.4 | 0 | 0 | 0 | 111.3 | F5 F6 Q12 Y13 | F5-L9 HydrophobicContact CD1-CD1 3.65Å; F5-L9 HydrophobicContact CE1-CD1 3.52Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 3.25Å; F6-L9 PolarHBondContact O-N 3.37Å; L9-Q12 CarbonylContact O-C 3.54Å; L9-Q12 PolarHBondContact O-N 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.45Å; L9-Y13 PolarHBondContact O-N 3.31Å |
| 10 | F | 55.9 | Low | 54 | Low | 143 Ų | 143 | 121.2 Ų | 121.2 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.8 | -37.8 | 179 | -159.2 | -91.8 | 0 | 0 | 0 | 111.4 | F6 L7 T8 Y13 T14 | F6-F10 WeakPolarHBondContact O-CB 3.36Å; F6-F10 PolarHBondContact O-N 3.31Å; L7-F10 PolarHBondContact O-N 3.14Å; T8-F10 VanDerWaalsContact C-N 3.35Å; T8-F10 PolarHBondContact O-N 3.27Å; F10-Y13 PolarHBondContact O-N 3.22Å; F10-T14 HydrophobicContact CD1-CG2 3.76Å; F10-T14 HydrophobicContact CE1-CG2 3.56Å; F10-T14 HydrophobicContact CZ-CG2 4.18Å; F10-T14 VanDerWaalsContact O-CB 3.27Å; F10-T14 WeakPolarHBondContact O-CB 3.25Å; F10-T14 VanDerWaalsContact O-CG2 3.27Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.87Å; F10-T14 PolarHBondContact O-OG1 3.44Å |
| 11 | I | 51.1 | Low | 55.3 | Low | 78 Ų | 78 | 115.8 Ų | 115.8 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.3 | -39.7 | 173 | -71.6 | 166.4 | 0 | 0 | 0 | 110.2 | L7 T8 Y13 T14 L15 | L7-I11 HydrophobicContact CD2-CD1 3.84Å; L7-I11 HydrophobicContact CG-CD1 4.38Å; L7-I11 VanDerWaalsContact O-CB 3.23Å; L7-I11 WeakPolarHBondContact O-CB 3.32Å; L7-I11 WeakPolarHBondContact O-CD1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.25Å; L7-I11 PolarHBondContact O-N 2.67Å; T8-I11 PolarHBondContact O-N 3.18Å; I11-Y13 VanDerWaalsContact C-N 3.33Å; I11-T14 WeakPolarHBondContact CA-OG1 3.46Å; I11-T14 PolarHBondContact O-OG1 3.36Å; I11-L15 HydrophobicContact CG2-CD1 3.38Å; I11-L15 HydrophobicContact CG2-CG 4.03Å; I11-L15 WeakPolarHBondContact O-CA 3.44Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 3.25Å |
| 12 | Q | 45.5 | Very low | 56.9 | Low | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.4 | -32 | 176.4 | -134.1 | 162.2 | 2.3 | 0 | 0 | 111.8 | T8 L9 R16 | T8-Q12 VanDerWaalsContact O-CB 3.27Å; T8-Q12 WeakPolarHBondContact O-CB 3.3Å; T8-Q12 PolarHBondContact O-N 3.07Å; L9-Q12 CarbonylContact O-C 3.54Å; L9-Q12 PolarHBondContact O-N 3.24Å; Q12-R16 WeakPolarHBondContact O-CB 3.28Å; Q12-R16 PolarHBondContact O-N 3.19Å |
| 13 | Y | 43.5 | Very low | 58 | Low | 191 Ų | 191 | 105.2 Ų | 105.2 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -77.8 | -35.6 | 176.1 | -150.9 | -89.6 | 0 | 0 | 0 | 111.9 | L9 F10 I11 | L9-Y13 WeakPolarHBondContact O-CB 3.45Å; L9-Y13 PolarHBondContact O-N 3.31Å; F10-Y13 PolarHBondContact O-N 3.22Å; I11-Y13 VanDerWaalsContact C-N 3.33Å |
| 14 | T | 42.4 | Very low | 58.8 | Low | 71 Ų | 71 | 98.6 Ų | 98.6 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -84.4 | -26.9 | 176 | 53 | 0 | 0 | 0 | 0 | 113.4 | F10 I11 I17 | F10-T14 HydrophobicContact CD1-CG2 3.76Å; F10-T14 HydrophobicContact CE1-CG2 3.56Å; F10-T14 HydrophobicContact CZ-CG2 4.18Å; F10-T14 VanDerWaalsContact O-CB 3.27Å; F10-T14 WeakPolarHBondContact O-CB 3.25Å; F10-T14 VanDerWaalsContact O-CG2 3.27Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.87Å; F10-T14 PolarHBondContact O-OG1 3.44Å; I11-T14 WeakPolarHBondContact CA-OG1 3.46Å; I11-T14 PolarHBondContact O-OG1 3.36Å; T14-I17 WeakPolarHBondContact O-CG1 3.49Å; T14-I17 PolarHBondContact O-N 2.97Å |
| 15 | L | 38.7 | Very low | 59.9 | Low | 127 Ų | 127 | 93.1 Ų | 93.1 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -85.9 | -15.4 | 171 | -70.3 | 173.3 | 0 | 0 | 0 | 113.1 | I11 I17 | I11-L15 HydrophobicContact CG2-CD1 3.38Å; I11-L15 HydrophobicContact CG2-CG 4.03Å; I11-L15 WeakPolarHBondContact O-CA 3.44Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 3.25Å; L15-I17 PolarHBondContact O-N 3.09Å |
| 16 | R | 39 | Very low | 60.6 | Low | 199 Ų | 199 | 88.3 Ų | 88.3 | 75% | 0.751 | 44% | 0.44 | S | S | * | . | trans | -69.7 | 63.5 | 146 | -89.5 | -171.7 | 176 | -167 | -0.3 | 108 | Q12 E18 | Q12-R16 WeakPolarHBondContact O-CB 3.28Å; Q12-R16 PolarHBondContact O-N 3.19Å; R16-E18 PolarHBondContact O-N 3.42Å | ||
| 17 | I | 42.8 | Very low | 61.5 | Low | 136 Ų | 136 | 85.9 Ų | 85.9 | 70% | 0.697 | 43% | 0.43 | S | S | * | . | trans | -58.8 | 94.9 | 145.8 | -56.8 | 174.5 | 0 | 0 | 0 | 101.9 | T14 L15 S19 | T14-I17 WeakPolarHBondContact O-CG1 3.49Å; T14-I17 PolarHBondContact O-N 2.97Å; L15-I17 PolarHBondContact O-N 3.09Å; I17-S19 PolarHBondContact O-N 2.91Å | ||
| 18 | E | 46.7 | Very low | 62.7 | Low | 137 Ų | 137 | 85.5 Ų | 85.5 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | trans | -47 | 117.8 | 167.8 | -80.4 | -177.6 | 159.2 | 0 | 0 | 105 | R16 D20 | R16-E18 PolarHBondContact O-N 3.42Å; E18-D20 PolarHBondContact O-N 3.01Å | ||
| 19 | S | 54.5 | Low | 64.3 | Low | 60 Ų | 60 | 85.5 Ų | 85.5 | 42% | 0.42 | 42% | 0.418 | S | S | . | . | trans | -65.9 | 97 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 106.5 | I17 Q361 | I17-S19 PolarHBondContact O-N 2.91Å; S19-Q361 VanDerWaalsContact CB-OE1 3.3Å; S19-Q361 PolarHBondContact O-NE2 3.45Å; S19-Q361 VanDerWaalsContact OG-CD 3.26Å; S19-Q361 PolarHBondContact OG-OE1 3.07Å | ||
| 20 | D | 74.6 | Confident | 65.9 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 19% | 0.193 | 42% | 0.416 | C | S | . | . | trans | -74.9 | 158 | -175.8 | -170.9 | 15.1 | 0 | 0 | 0 | 109.7 | E18 F22 S23 Y142 Q361 | E18-D20 PolarHBondContact O-N 3.01Å; D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 VanDerWaalsContact O-N 3.1Å; D20-F22 WeakPolarHBondContact OD2-CD2 3.37Å; D20-F22 WeakPolarHBondContact OD2-CE2 3.39Å; D20-S23 VanDerWaalsContact O-CB 3.28Å; D20-S23 WeakPolarHBondContact O-CB 3.27Å; D20-S23 PolarHBondContact O-N 3.36Å; D20-S23 PolarHBondContact O-OG 3.25Å; D20-Y142 WeakPolarHBondContact OD1-CE2 3.09Å; D20-Y142 PolarHBondContact OD1-OH 2.85Å; D20-Y142 PolarHBondContact OD2-OH 3.43Å; D20-Q361 PolarHBondContact O-NE2 3.13Å | ||
| 21 | I | 80.9 | Confident | 67.5 | Low | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -53.9 | -34.6 | 178.9 | -169.7 | 63.8 | 0 | 0 | 0 | 111.8 | S23 Q24 L136 Y139 Y142 Q362 V364 | I21-S23 PolarHBondContact O-N 3.17Å; I21-Q24 WeakPolarHBondContact O-CB 3.43Å; I21-Q24 PolarHBondContact O-N 3.5Å; I21-L136 HydrophobicContact CG2-CD1 4.5Å; I21-Y139 HydrophobicContact CB-CD1 4.05Å; I21-Y139 HydrophobicContact CB-CE1 4.29Å; I21-Y139 HydrophobicContact CB-CG 4.36Å; I21-Y139 HydrophobicContact CD1-CD1 3.72Å; I21-Y139 HydrophobicContact CD1-CE1 3.28Å; I21-Y139 HydrophobicContact CG1-CD1 3.65Å; I21-Y139 HydrophobicContact CG1-CE1 3.38Å; I21-Y139 HydrophobicContact CG1-CE2 4.31Å; I21-Y139 HydrophobicContact CG1-CG 4.22Å; I21-Y139 HydrophobicContact CG2-CG 4.34Å; I21-Y142 HydrophobicContact CG2-CE2 4.04Å; I21-Q362 WeakPolarHBondContact CD1-O 3.41Å; I21-V364 HydrophobicContact CD1-CB 4.44Å; I21-V364 HydrophobicContact CD1-CG1 3.52Å; I21-V364 HydrophobicContact CG1-CG1 3.87Å |
| 22 | F | 85.4 | Confident | 69.2 | Low | 27 Ų | 27 | 83.6 Ų | 83.6 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -62 | -22.8 | 176.5 | -56.5 | -42.5 | 0 | 0 | 0 | 113.8 | D20 Q24 L25 Y28 L30 L136 Y142 L149 | D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 VanDerWaalsContact O-N 3.1Å; D20-F22 WeakPolarHBondContact OD2-CD2 3.37Å; D20-F22 WeakPolarHBondContact OD2-CE2 3.39Å; F22-Q24 PolarHBondContact O-N 2.84Å; F22-L25 PolarHBondContact O-N 3.28Å; F22-L25 VanDerWaalsContact O-N 3.07Å; F22-L25 VanDerWaalsContact O-O 3.09Å; F22-Y28 HydrophobicContact CB-CD1 4.37Å; F22-Y28 HydrophobicContact CB-CE1 3.6Å; F22-Y28 HydrophobicContact CB-CE2 4.5Å; F22-Y28 HydrophobicContact CD1-CD1 4.18Å; F22-Y28 AromaticContact CD1-CD2 3.75Å; F22-Y28 HydrophobicContact CD1-CD2 3.75Å; F22-Y28 AromaticContact CD1-CE1 3.87Å; F22-Y28 HydrophobicContact CD1-CE1 3.87Å; F22-Y28 AromaticContact CD1-CE2 3.4Å; F22-Y28 HydrophobicContact CD1-CE2 3.4Å; F22-Y28 HydrophobicContact CD1-CG 4.13Å; F22-Y28 AromaticContact CD1-CZ 3.47Å; F22-Y28 VanDerWaalsContact CD1-CZ 3.47Å; F22-Y28 HydrophobicContact CD2-CE2 4.29Å; F22-Y28 AromaticContact CD2-CZ 3.96Å; F22-Y28 AromaticContact CE1-CD2 3.93Å; F22-Y28 HydrophobicContact CE1-CD2 3.93Å; F22-Y28 AromaticContact CE1-CE2 3.61Å; F22-Y28 HydrophobicContact CE1-CE2 3.61Å; F22-Y28 HydrophobicContact CE2-CE2 4.45Å; F22-Y28 AromaticContact CG-CE1 3.83Å; F22-Y28 HydrophobicContact CG-CE1 3.83Å; F22-Y28 AromaticContact CG-CE2 3.81Å; F22-Y28 HydrophobicContact CG-CE2 3.81Å; F22-Y28 AromaticContact CG-CZ 3.41Å; F22-Y28 VanDerWaalsContact CG-CZ 3.41Å; F22-Y28 WeakPolarHBondContact CG-OH 3.4Å; F22-Y28 HydrophobicContact CZ-CE2 4.16Å; F22-L30 HydrophobicContact CE1-CD2 4.11Å; F22-L30 HydrophobicContact CZ-CD1 4.13Å; F22-L30 HydrophobicContact CZ-CD2 4.18Å; F22-L136 HydrophobicContact CE1-CD1 3.99Å; F22-L136 HydrophobicContact CZ-CD1 3.8Å; F22-L136 HydrophobicContact CZ-CD2 4.24Å; F22-Y142 HydrophobicContact CE2-CE1 4.37Å; F22-Y142 HydrophobicContact CE2-CE2 4.19Å; F22-Y142 AromaticContact CE2-CZ 3.66Å; F22-Y142 WeakPolarHBondContact CE2-OH 3.47Å; F22-Y142 HydrophobicContact CZ-CE2 4.31Å; F22-L149 HydrophobicContact CD1-CD1 4.4Å; F22-L149 HydrophobicContact CE1-CD1 3.96Å; F22-L149 HydrophobicContact CE1-CD2 4.4Å |
| 23 | S | 82.4 | Confident | 71.1 | Confident | 45 Ų | 45 | 81 Ų | 81 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -66 | -21.1 | 175.3 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | D20 I21 L25 Q157 Q361 | D20-S23 VanDerWaalsContact O-CB 3.28Å; D20-S23 WeakPolarHBondContact O-CB 3.27Å; D20-S23 PolarHBondContact O-N 3.36Å; D20-S23 PolarHBondContact O-OG 3.25Å; I21-S23 PolarHBondContact O-N 3.17Å; S23-L25 VanDerWaalsContact C-N 3.31Å; S23-Q157 PolarHBondContact O-OE1 3.09Å; S23-Q361 PolarHBondContact OG-NE2 3.04Å; S23-Q361 VanDerWaalsContact OG-NE2 3.14Å |
| 24 | Q | 79.2 | Confident | 73.1 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.019 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -83.3 | -6.8 | 174.8 | -63.1 | 177.2 | 37.6 | 0 | 0 | 112.7 | I21 F22 I156 Q157 I161 Q361 Q362 | I21-Q24 WeakPolarHBondContact O-CB 3.43Å; I21-Q24 PolarHBondContact O-N 3.5Å; F22-Q24 PolarHBondContact O-N 2.84Å; Q24-I156 CarbonylContact O-C 3.52Å; Q24-I156 WeakPolarHBondContact O-CA 3.24Å; Q24-Q157 PolarHBondContact O-N 3.04Å; Q24-I161 HydrophobicContact CB-CD1 4.1Å; Q24-I161 HydrophobicContact CB-CG1 4.48Å; Q24-I161 HydrophobicContact CG-CD1 3.98Å; Q24-I161 HydrophobicContact CG-CG1 3.98Å; Q24-Q361 VanDerWaalsContact NE2-NE2 3.19Å; Q24-Q362 PolarHBondContact NE2-O 3.33Å |
| 25 | L | 81.9 | Confident | 75.2 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 130.1 | -175 | -61.3 | 175.5 | 0 | 0 | 0 | 110.6 | F22 S23 Y28 L149 Y151 D155 I156 V364 | F22-L25 PolarHBondContact O-N 3.28Å; F22-L25 VanDerWaalsContact O-N 3.07Å; F22-L25 VanDerWaalsContact O-O 3.09Å; S23-L25 VanDerWaalsContact C-N 3.31Å; L25-Y28 HydrophobicContact CB-CD1 4.04Å; L25-Y28 HydrophobicContact CD1-CG 4.36Å; L25-L149 HydrophobicContact CD1-CD1 4.14Å; L25-L149 HydrophobicContact CD1-CD2 4.06Å; L25-Y151 HydrophobicContact CD1-CD1 3.81Å; L25-Y151 HydrophobicContact CD1-CE1 4.34Å; L25-Y151 HydrophobicContact CD1-CG 3.93Å; L25-Y151 HydrophobicContact CD2-CD1 4.29Å; L25-Y151 HydrophobicContact CD2-CD2 3.56Å; L25-Y151 HydrophobicContact CD2-CE2 3.98Å; L25-Y151 HydrophobicContact CD2-CG 3.75Å; L25-Y151 HydrophobicContact CG-CG 4.49Å; L25-D155 CarbonylContact C-O 3.56Å; L25-D155 WeakPolarHBondContact CA-O 3.15Å; L25-I156 HydrophobicContact CD2-CG1 4.05Å; L25-V364 HydrophobicContact CD2-CG1 4.21Å; L25-V364 HydrophobicContact CG-CG1 4.42Å |
| 26 | G | 79.1 | Confident | 77.5 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.5 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D155 | G26-D155 PolarHBondContact N-O 3.33Š|
| 27 | Q | 85.7 | Confident | 79.7 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -138.7 | 142.6 | 172 | -65.6 | -172.4 | -14.1 | 0 | 0 | 109 | D155 | Q27-D155 VanDerWaalsContact O-CB 3.31Å; Q27-D155 WeakPolarHBondContact O-CB 3.4Å |
| 28 | Y | 91.2 | Very high | 81.6 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | trans | -158.3 | 163.2 | 177 | 67.5 | -88.1 | 0 | 0 | 0 | 108.8 | F22 L25 L30 L149 I150 | F22-Y28 HydrophobicContact CB-CD1 4.37Å; F22-Y28 HydrophobicContact CB-CE1 3.6Å; F22-Y28 HydrophobicContact CB-CE2 4.5Å; F22-Y28 HydrophobicContact CD1-CD1 4.18Å; F22-Y28 AromaticContact CD1-CD2 3.75Å; F22-Y28 HydrophobicContact CD1-CD2 3.75Å; F22-Y28 AromaticContact CD1-CE1 3.87Å; F22-Y28 HydrophobicContact CD1-CE1 3.87Å; F22-Y28 AromaticContact CD1-CE2 3.4Å; F22-Y28 HydrophobicContact CD1-CE2 3.4Å; F22-Y28 HydrophobicContact CD1-CG 4.13Å; F22-Y28 AromaticContact CD1-CZ 3.47Å; F22-Y28 VanDerWaalsContact CD1-CZ 3.47Å; F22-Y28 HydrophobicContact CD2-CE2 4.29Å; F22-Y28 AromaticContact CD2-CZ 3.96Å; F22-Y28 AromaticContact CE1-CD2 3.93Å; F22-Y28 HydrophobicContact CE1-CD2 3.93Å; F22-Y28 AromaticContact CE1-CE2 3.61Å; F22-Y28 HydrophobicContact CE1-CE2 3.61Å; F22-Y28 HydrophobicContact CE2-CE2 4.45Å; F22-Y28 AromaticContact CG-CE1 3.83Å; F22-Y28 HydrophobicContact CG-CE1 3.83Å; F22-Y28 AromaticContact CG-CE2 3.81Å; F22-Y28 HydrophobicContact CG-CE2 3.81Å; F22-Y28 AromaticContact CG-CZ 3.41Å; F22-Y28 VanDerWaalsContact CG-CZ 3.41Å; F22-Y28 WeakPolarHBondContact CG-OH 3.4Å; F22-Y28 HydrophobicContact CZ-CE2 4.16Å; L25-Y28 HydrophobicContact CB-CD1 4.04Å; L25-Y28 HydrophobicContact CD1-CG 4.36Å; Y28-L30 HydrophobicContact CE2-CG 4.44Å; Y28-L149 HydrophobicContact CD2-CD1 3.83Å; Y28-L149 HydrophobicContact CG-CD1 4.14Å; Y28-I150 WeakPolarHBondContact CA-O 3.49Å; Y28-I150 WeakPolarHBondContact CB-O 3.46Å | ||
| 29 | E | 92.4 | Very high | 82.9 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.1 | 170.1 | -67.2 | -174.9 | -169.5 | 0 | 0 | 109.6 | A54 W55 I150 | E29-A54 WeakPolarHBondContact OE2-CA 3.48Å; E29-W55 HydrophobicContact CB-CE3 4.43Å; E29-W55 HydrophobicContact CB-CH2 3.78Å; E29-W55 HydrophobicContact CB-CZ3 3.72Å; E29-W55 HydrophobicContact CG-CD2 4.48Å; E29-W55 HydrophobicContact CG-CE3 4.27Å; E29-W55 HydrophobicContact CG-CH2 3.88Å; E29-W55 HydrophobicContact CG-CZ2 4.22Å; E29-W55 HydrophobicContact CG-CZ3 3.93Å; E29-W55 VanDerWaalsContact OE1-CA 3.29Å; E29-W55 WeakPolarHBondContact OE1-CA 3.36Å; E29-W55 PolarHBondContact OE1-N 3.03Å; E29-W55 VanDerWaalsContact OE1-N 3.09Å; E29-W55 PolarHBondContact OE2-N 3.42Å; E29-I150 HydrophobicContact CB-CG2 4.07Å; E29-I150 PolarHBondContact N-O 2.63Å; E29-I150 VanDerWaalsContact O-CG2 3.25Å; E29-I150 WeakPolarHBondContact O-CG2 3.27Å; E29-I150 PolarHBondContact O-N 2.61Å |
| 30 | L | 91.6 | Very high | 83.5 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.6 | 171 | -60.5 | -179.5 | 0 | 0 | 0 | 108.2 | F22 Y28 L136 M148 L149 | F22-L30 HydrophobicContact CE1-CD2 4.11Å; F22-L30 HydrophobicContact CZ-CD1 4.13Å; F22-L30 HydrophobicContact CZ-CD2 4.18Å; Y28-L30 HydrophobicContact CE2-CG 4.44Å; L30-L136 HydrophobicContact CD1-CD2 4.23Å; L30-L136 HydrophobicContact CD2-CD1 4.5Å; L30-L136 HydrophobicContact CD2-CD2 4.15Å; L30-M148 WeakPolarHBondContact CA-O 3.09Å; L30-L149 HydrophobicContact CD2-CB 4.07Å; L30-L149 HydrophobicContact CD2-CD1 3.88Å |
| 31 | F | 88.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.9 | 172.9 | 69.3 | -76.8 | 0 | 0 | 0 | 110.4 | P34 F52 I133 S147 M148 I150 | F31-P34 HydrophobicContact CE2-CG 4.18Å; F31-F52 HydrophobicContact CD1-CD2 4.4Å; F31-F52 HydrophobicContact CD2-CB 3.55Å; F31-F52 AromaticContact CD2-CD2 3.86Å; F31-F52 HydrophobicContact CD2-CD2 3.86Å; F31-F52 AromaticContact CD2-CG 3.85Å; F31-F52 HydrophobicContact CD2-CG 3.85Å; F31-F52 HydrophobicContact CE1-CD2 4.19Å; F31-F52 HydrophobicContact CE1-CE2 4.36Å; F31-F52 HydrophobicContact CE2-CB 3.56Å; F31-F52 HydrophobicContact CE2-CD1 4.05Å; F31-F52 AromaticContact CE2-CD2 3.61Å; F31-F52 HydrophobicContact CE2-CD2 3.61Å; F31-F52 HydrophobicContact CE2-CE2 4.34Å; F31-F52 AromaticContact CE2-CG 3.45Å; F31-F52 HydrophobicContact CE2-CG 3.45Å; F31-F52 VanDerWaalsContact CE2-CG 3.45Å; F31-F52 HydrophobicContact CG-CD2 4.26Å; F31-F52 HydrophobicContact CZ-CD1 4.42Å; F31-F52 AromaticContact CZ-CD2 3.78Å; F31-F52 HydrophobicContact CZ-CD2 3.78Å; F31-F52 HydrophobicContact CZ-CE2 4.07Å; F31-F52 AromaticContact CZ-CG 3.99Å; F31-F52 HydrophobicContact CZ-CG 3.99Å; F31-I133 HydrophobicContact CE1-CG2 4.16Å; F31-I133 HydrophobicContact CZ-CD1 4.13Å; F31-I133 HydrophobicContact CZ-CG2 3.89Å; F31-S147 WeakPolarHBondContact O-CA 3.21Å; F31-M148 HydrophobicContact CD1-CB 3.85Å; F31-M148 WeakPolarHBondContact CD1-O 3.12Å; F31-M148 HydrophobicContact CD2-CB 4.27Å; F31-M148 HydrophobicContact CD2-CG 4.49Å; F31-M148 HydrophobicContact CE1-CB 3.39Å; F31-M148 HydrophobicContact CE1-CG 4.39Å; F31-M148 HydrophobicContact CE2-CB 3.87Å; F31-M148 HydrophobicContact CE2-CG 4.01Å; F31-M148 HydrophobicContact CG-CB 4.27Å; F31-M148 HydrophobicContact CZ-CB 3.41Å; F31-M148 VanDerWaalsContact CZ-CB 3.41Å; F31-M148 HydrophobicContact CZ-CG 3.95Å; F31-M148 PolarHBondContact N-O 2.85Å; F31-M148 PolarHBondContact O-N 3.22Å; F31-I150 HydrophobicContact CD1-CB 4.28Å; F31-I150 HydrophobicContact CD1-CG2 3.49Å; F31-I150 VanDerWaalsContact CD1-CG2 3.49Å; F31-I150 HydrophobicContact CE1-CB 3.85Å; F31-I150 HydrophobicContact CE1-CG2 3.58Å |
| 32 | E | 87.5 | Confident | 81.3 | Confident | 167 Ų | 167 | 69 Ų | 69 | 78% | 0.78 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 155.3 | 178.3 | -66.5 | -170.4 | 169.2 | 0 | 0 | 111.8 | ||
| 33 | R | 84.5 | Confident | 79.5 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 33% | 0.328 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 124.3 | 178.3 | -175 | -179.6 | -61.7 | 153.6 | 3.1 | 111.5 | T117 N146 | R33-T117 VanDerWaalsContact CD-O 3.27Å; R33-T117 WeakPolarHBondContact CD-O 3.31Å; R33-T117 PolarHBondContact NE-O 3.19Å; R33-T117 PolarHBondContact NH1-O 3Å; R33-N146 PolarHBondContact NH2-OD1 2.02Å |
| 34 | P | 86 | Confident | 78.3 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 141.6 | 180 | 21.5 | -27.3 | 0 | 0 | 0 | 111.6 | F31 F36 T50 L120 | F31-P34 HydrophobicContact CE2-CG 4.18Å; P34-F36 HydrophobicContact CB-CE2 4.27Å; P34-F36 HydrophobicContact CB-CZ 4.49Å; P34-F36 HydrophobicContact CG-CE2 3.97Å; P34-F36 HydrophobicContact CG-CZ 4.15Å; P34-T50 HydrophobicContact CB-CG2 4.3Å; P34-T50 WeakPolarHBondContact CB-OG1 3.28Å; P34-L120 HydrophobicContact CG-CB 4.13Å; P34-L120 HydrophobicContact CG-CD2 4.01Å |
| 35 | S | 86.9 | Confident | 77.4 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 58% | 0.58 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 137.7 | 168.5 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | T50 | S35-T50 WeakPolarHBondContact O-CB 3.28Å; S35-T50 PolarHBondContact O-OG1 2.9Å |
| 36 | F | 87.4 | Confident | 77 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133 | 179.3 | -70.6 | -90.2 | 0 | 0 | 0 | 110.9 | P34 R48 Q49 T50 L63 L113 L120 | P34-F36 HydrophobicContact CB-CE2 4.27Å; P34-F36 HydrophobicContact CB-CZ 4.49Å; P34-F36 HydrophobicContact CG-CE2 3.97Å; P34-F36 HydrophobicContact CG-CZ 4.15Å; F36-R48 HydrophobicContact CD1-CB 4.17Å; F36-Q49 WeakPolarHBondContact CA-O 3.14Å; F36-T50 HydrophobicContact CD1-CG2 4.02Å; F36-T50 HydrophobicContact CE1-CG2 3.42Å; F36-T50 VanDerWaalsContact CE1-CG2 3.42Å; F36-T50 HydrophobicContact CZ-CG2 3.83Å; F36-L63 HydrophobicContact CE1-CD1 3.98Å; F36-L113 HydrophobicContact CD1-CD2 4.39Å; F36-L113 HydrophobicContact CD2-CD1 3.7Å; F36-L113 HydrophobicContact CD2-CD2 4.41Å; F36-L113 HydrophobicContact CE1-CD1 4.36Å; F36-L113 HydrophobicContact CE2-CD1 3.39Å; F36-L113 HydrophobicContact CG-CD1 4.32Å; F36-L113 HydrophobicContact CG-CD2 4.25Å; F36-L113 HydrophobicContact CZ-CD1 3.76Å; F36-L120 HydrophobicContact CE2-CB 4.39Å; F36-L120 HydrophobicContact CZ-CB 4.04Å; F36-L120 HydrophobicContact CZ-CD1 4Å; F36-L120 HydrophobicContact CZ-CD2 4.11Å; F36-L120 HydrophobicContact CZ-CG 4.26Å |
| 37 | R | 84 | Confident | 77 | Confident | 179 Ų | 179 | 72.6 Ų | 72.6 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.9 | 173 | -52.4 | -177 | -170 | -171.2 | 2.7 | 108 | Q49 | R37-Q49 PolarHBondContact N-O 2.92Å; R37-Q49 PolarHBondContact O-N 2.77Å |
| 38 | I | 82.1 | Confident | 77 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.4 | 170.8 | -53.2 | -174.5 | 0 | 0 | 0 | 106.9 | Q46 T47 R48 | I38-Q46 HydrophobicContact CG2-CG 3.61Å; I38-T47 WeakPolarHBondContact CA-O 3.16Å; I38-R48 VanDerWaalsContact CD1-CZ 3.5Å; I38-R48 VanDerWaalsContact CG1-NH1 3.3Å |
| 39 | A | 75.3 | Confident | 76.8 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q46 T47 Q49 | A39-Q46 WeakPolarHBondContact O-CA 3.37Å; A39-T47 PolarHBondContact N-O 2.84Å; A39-T47 PolarHBondContact O-N 3.08Å; A39-T47 PolarHBondContact O-OG1 2.94Å; A39-Q49 VanDerWaalsContact CB-CD 3.47Å; A39-Q49 HydrophobicContact CB-CG 4.05Å |
| 40 | R | 67.8 | Low | 76.8 | Confident | 165 Ų | 165 | 65.7 Ų | 65.7 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.3 | 167 | -69.5 | -177.7 | 179.7 | 148.3 | -1.4 | 107.6 | R45 | R40-R45 WeakPolarHBondContact CA-O 3.09Å |
| 41 | D | 56.4 | Low | 76.7 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | trans | -84.5 | -170.6 | 173.3 | 80.8 | -8.8 | 0 | 0 | 0 | 111.4 | S43 G44 R45 T47 Y64 | D41-S43 PolarHBondContact O-N 2.67Å; D41-S43 WeakPolarHBondContact OD1-CA 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.35Å; D41-S43 PolarHBondContact OD1-N 3.42Å; D41-S43 PolarHBondContact OD1-OG 2.85Å; D41-S43 PolarHBondContact OD2-OG 3.31Å; D41-G44 PolarHBondContact O-N 3.39Å; D41-G44 PolarHBondContact OD1-N 2.99Å; D41-R45 PolarHBondContact N-O 3.45Å; D41-R45 PolarHBondContact OD1-N 3.09Å; D41-R45 VanDerWaalsContact OD1-N 3.14Å; D41-T47 HydrophobicContact CB-CG2 3.95Å; D41-Y64 HydrophobicContact CB-CE1 4.35Å; D41-Y64 WeakPolarHBondContact OD2-CE1 3.43Å; D41-Y64 PolarHBondContact OD2-OH 3.27Å | ||
| 42 | I | 52 | Low | 76.8 | Confident | 77 Ų | 77 | 65 Ų | 65 | 40% | 0.395 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.9 | -179 | 60.4 | 162.9 | 0 | 0 | 0 | 114.1 | G489 C504 A505 | I42-G489 WeakPolarHBondContact O-CA 3.19Å; I42-C504 WeakPolarHBondContact CB-O 3.37Å; I42-C504 WeakPolarHBondContact CG2-O 3.29Å; I42-A505 HydrophobicContact CD1-CB 3.96Å; I42-A505 HydrophobicContact CG2-CB 4.07Å |
| 43 | S | 47.5 | Very low | 76.7 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.3 | 177.1 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | D41 R45 W486 | D41-S43 PolarHBondContact O-N 2.67Å; D41-S43 WeakPolarHBondContact OD1-CA 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.35Å; D41-S43 PolarHBondContact OD1-N 3.42Å; D41-S43 PolarHBondContact OD1-OG 2.85Å; D41-S43 PolarHBondContact OD2-OG 3.31Å; S43-R45 PolarHBondContact O-N 3.15Å; S43-R45 VanDerWaalsContact OG-CB 3.28Å; S43-R45 WeakPolarHBondContact OG-CB 3.35Å; S43-R45 PolarHBondContact OG-N 2.87Å; S43-W486 CarbonylContact O-C 3.53Å |
| 44 | G | 56.8 | Low | 76.8 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 80 | -8.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | D41 Q46 | D41-G44 PolarHBondContact O-N 3.39Å; D41-G44 PolarHBondContact OD1-N 2.99Å; G44-Q46 PolarHBondContact O-N 2.81Å |
| 45 | R | 60.4 | Low | 76.5 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -59 | 127.8 | 178.4 | -168.6 | 172.6 | 179.6 | -163.3 | 1.3 | 109.3 | R40 D41 S43 T47 Y64 R65 E66 | R40-R45 WeakPolarHBondContact CA-O 3.09Å; D41-R45 PolarHBondContact N-O 3.45Å; D41-R45 PolarHBondContact OD1-N 3.09Å; D41-R45 VanDerWaalsContact OD1-N 3.14Å; S43-R45 PolarHBondContact O-N 3.15Å; S43-R45 VanDerWaalsContact OG-CB 3.28Å; S43-R45 WeakPolarHBondContact OG-CB 3.35Å; S43-R45 PolarHBondContact OG-N 2.87Å; R45-T47 PolarHBondContact O-N 3.21Å; R45-Y64 HydrophobicContact CB-CD1 4.35Å; R45-Y64 HydrophobicContact CB-CE1 4.28Å; R45-Y64 HydrophobicContact CG-CD1 3.77Å; R45-Y64 HydrophobicContact CG-CE1 4.19Å; R45-R65 PolarHBondContact NH2-O 3.1Å; R45-E66 IonicContact CZ-OE1 3.14Å; R45-E66 IonicContact NH1-OE1 3.62Å; R45-E66 IonicContact NH2-OE1 3.61Å; R45-E66 PolarHBondContact NH2-OE1 3.45Å; R45-E66 IonicContact NH2-OE2 3.31Å | ||
| 46 | Q | 73.6 | Confident | 76.2 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 126.6 | 177 | -175.4 | 177.3 | 90.6 | 0 | 0 | 109.1 | I38 A39 G44 | I38-Q46 HydrophobicContact CG2-CG 3.61Å; A39-Q46 WeakPolarHBondContact O-CA 3.37Å; G44-Q46 PolarHBondContact O-N 2.81Å |
| 47 | T | 79 | Confident | 75.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.6 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 111 | I38 A39 D41 R45 Q49 I62 L63 Y64 | I38-T47 WeakPolarHBondContact CA-O 3.16Å; A39-T47 PolarHBondContact N-O 2.84Å; A39-T47 PolarHBondContact O-N 3.08Å; A39-T47 PolarHBondContact O-OG1 2.94Å; D41-T47 HydrophobicContact CB-CG2 3.95Å; R45-T47 PolarHBondContact O-N 3.21Å; T47-Q49 PolarHBondContact OG1-NE2 3.14Å; T47-I62 HydrophobicContact CG2-CG2 3.81Å; T47-L63 CarbonylContact C-O 3.47Å; T47-L63 VanDerWaalsContact CA-O 3.22Å; T47-L63 WeakPolarHBondContact CA-O 3.35Å; T47-Y64 HydrophobicContact CG2-CD1 3.55Å; T47-Y64 HydrophobicContact CG2-CE1 3.24Å; T47-Y64 HydrophobicContact CG2-CG 4.42Å |
| 48 | R | 85.9 | Confident | 76 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.6 | 163.6 | -69.7 | -67.4 | -171.3 | -88.1 | -0.2 | 106.8 | F36 I38 L63 L113 | F36-R48 HydrophobicContact CD1-CB 4.17Å; I38-R48 VanDerWaalsContact CD1-CZ 3.5Å; I38-R48 VanDerWaalsContact CG1-NH1 3.3Å; R48-L63 HydrophobicContact CB-CB 4.22Å; R48-L63 PolarHBondContact N-O 2.68Å; R48-L63 VanDerWaalsContact O-CB 3.29Å; R48-L63 WeakPolarHBondContact O-CB 2.98Å; R48-L63 PolarHBondContact O-N 3.34Å; R48-L113 HydrophobicContact CG-CD2 4.38Å |
| 49 | Q | 87.5 | Confident | 76.3 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.6 | -178.6 | -61.2 | -177.4 | -3.6 | 0 | 0 | 109.7 | F36 R37 A39 T47 L61 I62 | F36-Q49 WeakPolarHBondContact CA-O 3.14Å; R37-Q49 PolarHBondContact N-O 2.92Å; R37-Q49 PolarHBondContact O-N 2.77Å; A39-Q49 VanDerWaalsContact CB-CD 3.47Å; A39-Q49 HydrophobicContact CB-CG 4.05Å; T47-Q49 PolarHBondContact OG1-NE2 3.14Å; Q49-L61 WeakPolarHBondContact CA-O 3.38Å; Q49-I62 HydrophobicContact CG-CG1 4.37Å |
| 50 | T | 91.1 | Very high | 76.9 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 156.3 | 173.3 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | P34 S35 F36 L61 | P34-T50 HydrophobicContact CB-CG2 4.3Å; P34-T50 WeakPolarHBondContact CB-OG1 3.28Å; S35-T50 WeakPolarHBondContact O-CB 3.28Å; S35-T50 PolarHBondContact O-OG1 2.9Å; F36-T50 HydrophobicContact CD1-CG2 4.02Å; F36-T50 HydrophobicContact CE1-CG2 3.42Å; F36-T50 VanDerWaalsContact CE1-CG2 3.42Å; F36-T50 HydrophobicContact CZ-CG2 3.83Å; T50-L61 HydrophobicContact CG2-CB 3.98Å; T50-L61 HydrophobicContact CG2-CD1 4.27Å; T50-L61 HydrophobicContact CG2-CG 4.28Å; T50-L61 PolarHBondContact N-O 3.49Å; T50-L61 PolarHBondContact O-N 3.32Å |
| 51 | V | 90.3 | Very high | 77.9 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.6 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | P58 W59 Y60 | V51-P58 HydrophobicContact CG1-CB 4.44Å; V51-W59 VanDerWaalsContact CA-O 3.29Å; V51-W59 WeakPolarHBondContact CA-O 3.42Å; V51-Y60 HydrophobicContact CB-CD1 4.18Å; V51-Y60 HydrophobicContact CB-CE1 4.23Å; V51-Y60 HydrophobicContact CG1-CD1 3.88Å; V51-Y60 HydrophobicContact CG1-CE1 3.61Å; V51-Y60 HydrophobicContact CG1-CG 4.46Å; V51-Y60 HydrophobicContact CG2-CD1 3.23Å; V51-Y60 HydrophobicContact CG2-CE1 3.52Å; V51-Y60 HydrophobicContact CG2-CG 4.17Å |
| 52 | F | 89.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.6 | 170.3 | 61.8 | -88.1 | 0 | 0 | 0 | 110 | F31 A54 P58 W59 L61 I124 I133 I150 | F31-F52 HydrophobicContact CD1-CD2 4.4Å; F31-F52 HydrophobicContact CD2-CB 3.55Å; F31-F52 AromaticContact CD2-CD2 3.86Å; F31-F52 HydrophobicContact CD2-CD2 3.86Å; F31-F52 AromaticContact CD2-CG 3.85Å; F31-F52 HydrophobicContact CD2-CG 3.85Å; F31-F52 HydrophobicContact CE1-CD2 4.19Å; F31-F52 HydrophobicContact CE1-CE2 4.36Å; F31-F52 HydrophobicContact CE2-CB 3.56Å; F31-F52 HydrophobicContact CE2-CD1 4.05Å; F31-F52 AromaticContact CE2-CD2 3.61Å; F31-F52 HydrophobicContact CE2-CD2 3.61Å; F31-F52 HydrophobicContact CE2-CE2 4.34Å; F31-F52 AromaticContact CE2-CG 3.45Å; F31-F52 HydrophobicContact CE2-CG 3.45Å; F31-F52 VanDerWaalsContact CE2-CG 3.45Å; F31-F52 HydrophobicContact CG-CD2 4.26Å; F31-F52 HydrophobicContact CZ-CD1 4.42Å; F31-F52 AromaticContact CZ-CD2 3.78Å; F31-F52 HydrophobicContact CZ-CD2 3.78Å; F31-F52 HydrophobicContact CZ-CE2 4.07Å; F31-F52 AromaticContact CZ-CG 3.99Å; F31-F52 HydrophobicContact CZ-CG 3.99Å; F52-A54 HydrophobicContact CD2-CB 4.27Å; F52-A54 HydrophobicContact CE2-CB 4.26Å; F52-P58 CarbonylContact O-C 3.39Å; F52-P58 WeakPolarHBondContact O-CA 3.44Å; F52-W59 HydrophobicContact CD1-CB 4.2Å; F52-W59 HydrophobicContact CD2-CB 4.06Å; F52-W59 HydrophobicContact CD2-CG 4.27Å; F52-W59 HydrophobicContact CE1-CB 3.75Å; F52-W59 HydrophobicContact CE2-CB 3.58Å; F52-W59 AromaticContact CE2-CD1 3.65Å; F52-W59 HydrophobicContact CE2-CD2 4.35Å; F52-W59 AromaticContact CE2-CG 3.58Å; F52-W59 HydrophobicContact CE2-CG 3.58Å; F52-W59 HydrophobicContact CG-CB 4.34Å; F52-W59 HydrophobicContact CZ-CB 3.39Å; F52-W59 HydrophobicContact CZ-CD2 4.34Å; F52-W59 AromaticContact CZ-CG 3.72Å; F52-W59 HydrophobicContact CZ-CG 3.72Å; F52-W59 PolarHBondContact N-O 2.93Å; F52-W59 PolarHBondContact O-N 2.9Å; F52-L61 HydrophobicContact CE1-CD1 3.74Å; F52-L61 HydrophobicContact CE1-CD2 4.48Å; F52-L61 HydrophobicContact CE1-CG 3.87Å; F52-L61 HydrophobicContact CZ-CD1 4.42Å; F52-I124 HydrophobicContact CZ-CD1 4.17Å; F52-I133 HydrophobicContact CE1-CD1 3.93Å; F52-I133 HydrophobicContact CE2-CD1 4.07Å; F52-I133 HydrophobicContact CZ-CD1 3.44Å; F52-I133 VanDerWaalsContact CZ-CD1 3.44Å; F52-I150 HydrophobicContact CE2-CD1 3.89Å; F52-I150 HydrophobicContact CZ-CD1 4.46Å |
| 53 | Y | 85.2 | Confident | 80.8 | Confident | 134 Ų | 134 | 42.3 Ų | 42.3 | 53% | 0.525 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.5 | -177.1 | -162.8 | -90 | 0 | 0 | 0 | 110 | G56 P58 | Y53-G56 VanDerWaalsContact CZ-C 3.48Å; Y53-G56 VanDerWaalsContact OH-C 3.27Å; Y53-G56 PolarHBondContact OH-O 3.04Å; Y53-G56 VanDerWaalsContact OH-O 3.06Å; Y53-P58 HydrophobicContact CD2-CB 4.27Å |
| 54 | A | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 151.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E29 F52 G56 R57 W59 I150 | E29-A54 WeakPolarHBondContact OE2-CA 3.48Å; F52-A54 HydrophobicContact CD2-CB 4.27Å; F52-A54 HydrophobicContact CE2-CB 4.26Å; A54-G56 VanDerWaalsContact C-N 3.26Å; A54-G56 PolarHBondContact O-N 2.91Å; A54-R57 PolarHBondContact N-O 2.8Å; A54-R57 PolarHBondContact O-N 2.9Å; A54-W59 PolarHBondContact O-NE1 3.11Å; A54-I150 HydrophobicContact CB-CD1 4.1Å; A54-I150 HydrophobicContact CB-CG2 4.24Å |
| 55 | W | 80.2 | Confident | 83.5 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 21% | 0.205 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.9 | -174.4 | -77.9 | -101.7 | 0 | 0 | 0 | 112.7 | E29 R57 F131 I150 | E29-W55 HydrophobicContact CB-CE3 4.43Å; E29-W55 HydrophobicContact CB-CH2 3.78Å; E29-W55 HydrophobicContact CB-CZ3 3.72Å; E29-W55 HydrophobicContact CG-CD2 4.48Å; E29-W55 HydrophobicContact CG-CE3 4.27Å; E29-W55 HydrophobicContact CG-CH2 3.88Å; E29-W55 HydrophobicContact CG-CZ2 4.22Å; E29-W55 HydrophobicContact CG-CZ3 3.93Å; E29-W55 VanDerWaalsContact OE1-CA 3.29Å; E29-W55 WeakPolarHBondContact OE1-CA 3.36Å; E29-W55 PolarHBondContact OE1-N 3.03Å; E29-W55 VanDerWaalsContact OE1-N 3.09Å; E29-W55 PolarHBondContact OE2-N 3.42Å; W55-R57 PolarHBondContact O-N 3.12Å; W55-R57 VanDerWaalsContact O-N 3.11Å; W55-F131 AromaticContact CD2-CE1 3.97Å; W55-F131 HydrophobicContact CD2-CE1 3.97Å; W55-F131 HydrophobicContact CE3-CD1 4.46Å; W55-F131 HydrophobicContact CE3-CE1 4.31Å; W55-F131 HydrophobicContact CG-CE1 4.2Å; W55-I150 HydrophobicContact CE3-CD1 4.11Å; W55-I150 HydrophobicContact CE3-CG1 4.29Å; W55-I150 HydrophobicContact CE3-CG2 4.5Å; W55-I150 HydrophobicContact CH2-CB 4.13Å; W55-I150 HydrophobicContact CH2-CG1 3.84Å; W55-I150 HydrophobicContact CH2-CG2 3.83Å; W55-I150 VanDerWaalsContact CH2-O 3.27Å; W55-I150 WeakPolarHBondContact CH2-O 3.06Å; W55-I150 HydrophobicContact CZ3-CB 3.82Å; W55-I150 HydrophobicContact CZ3-CD1 3.64Å; W55-I150 HydrophobicContact CZ3-CG1 3.39Å; W55-I150 HydrophobicContact CZ3-CG2 3.35Å |
| 56 | G | 81.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 15.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y53 A54 | Y53-G56 VanDerWaalsContact CZ-C 3.48Å; Y53-G56 VanDerWaalsContact OH-C 3.27Å; Y53-G56 PolarHBondContact OH-O 3.04Å; Y53-G56 VanDerWaalsContact OH-O 3.06Å; A54-G56 VanDerWaalsContact C-N 3.26Å; A54-G56 PolarHBondContact O-N 2.91Å |
| 57 | R | 79.6 | Confident | 83.4 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.3 | 176.5 | 72.4 | 177.7 | -172.2 | -176.7 | 0.2 | 112.7 | A54 W55 W59 | A54-R57 PolarHBondContact N-O 2.8Å; A54-R57 PolarHBondContact O-N 2.9Å; W55-R57 PolarHBondContact O-N 3.12Å; W55-R57 VanDerWaalsContact O-N 3.11Å; R57-W59 VanDerWaalsContact NH2-CZ3 3.34Å |
| 58 | P | 87 | Confident | 82.6 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 138.6 | 167.6 | 31.5 | -35 | 0 | 0 | 0 | 111.3 | V51 F52 Y53 Y60 | V51-P58 HydrophobicContact CG1-CB 4.44Å; F52-P58 CarbonylContact O-C 3.39Å; F52-P58 WeakPolarHBondContact O-CA 3.44Å; Y53-P58 HydrophobicContact CD2-CB 4.27Å; P58-Y60 HydrophobicContact CB-CD2 4.27Å; P58-Y60 HydrophobicContact CB-CE2 3.52Å; P58-Y60 HydrophobicContact CG-CD2 4.47Å; P58-Y60 HydrophobicContact CG-CE2 3.54Å |
| 59 | W | 88.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.4 | 174.3 | -66.7 | 80.2 | 0 | 0 | 0 | 109.2 | V51 F52 A54 R57 V101 I124 V126 F131 | V51-W59 VanDerWaalsContact CA-O 3.29Å; V51-W59 WeakPolarHBondContact CA-O 3.42Å; F52-W59 HydrophobicContact CD1-CB 4.2Å; F52-W59 HydrophobicContact CD2-CB 4.06Å; F52-W59 HydrophobicContact CD2-CG 4.27Å; F52-W59 HydrophobicContact CE1-CB 3.75Å; F52-W59 HydrophobicContact CE2-CB 3.58Å; F52-W59 AromaticContact CE2-CD1 3.65Å; F52-W59 HydrophobicContact CE2-CD2 4.35Å; F52-W59 AromaticContact CE2-CG 3.58Å; F52-W59 HydrophobicContact CE2-CG 3.58Å; F52-W59 HydrophobicContact CG-CB 4.34Å; F52-W59 HydrophobicContact CZ-CB 3.39Å; F52-W59 HydrophobicContact CZ-CD2 4.34Å; F52-W59 AromaticContact CZ-CG 3.72Å; F52-W59 HydrophobicContact CZ-CG 3.72Å; F52-W59 PolarHBondContact N-O 2.93Å; F52-W59 PolarHBondContact O-N 2.9Å; A54-W59 PolarHBondContact O-NE1 3.11Å; R57-W59 VanDerWaalsContact NH2-CZ3 3.34Å; W59-V101 HydrophobicContact CE3-CG1 4.17Å; W59-V101 HydrophobicContact CE3-CG2 4.29Å; W59-V101 HydrophobicContact CZ3-CG2 4.42Å; W59-I124 HydrophobicContact CE3-CG2 4.26Å; W59-I124 HydrophobicContact CZ3-CG2 3.77Å; W59-V126 HydrophobicContact CZ3-CG2 4.01Å; W59-F131 AromaticContact CH2-CD1 3.96Å; W59-F131 HydrophobicContact CH2-CD1 3.96Å; W59-F131 AromaticContact CH2-CD2 3.54Å; W59-F131 HydrophobicContact CH2-CD2 3.54Å; W59-F131 AromaticContact CH2-CE1 3.98Å; W59-F131 HydrophobicContact CH2-CE1 3.98Å; W59-F131 AromaticContact CH2-CE2 3.59Å; W59-F131 HydrophobicContact CH2-CE2 3.59Å; W59-F131 AromaticContact CH2-CG 3.74Å; W59-F131 HydrophobicContact CH2-CG 3.74Å; W59-F131 AromaticContact CH2-CZ 3.8Å; W59-F131 HydrophobicContact CH2-CZ 3.8Å; W59-F131 HydrophobicContact CZ2-CD1 4.03Å; W59-F131 HydrophobicContact CZ2-CD2 4.39Å; W59-F131 AromaticContact CZ2-CE1 3.88Å; W59-F131 HydrophobicContact CZ2-CE1 3.88Å; W59-F131 HydrophobicContact CZ2-CE2 4.28Å; W59-F131 HydrophobicContact CZ2-CG 4.28Å; W59-F131 HydrophobicContact CZ2-CZ 4.01Å; W59-F131 HydrophobicContact CZ3-CD2 4.29Å |
| 60 | Y | 87.9 | Confident | 80.6 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 97.3 | 179.7 | -63.9 | -91.4 | 0 | 0 | 0 | 109.2 | V51 P58 V101 S102 | V51-Y60 HydrophobicContact CB-CD1 4.18Å; V51-Y60 HydrophobicContact CB-CE1 4.23Å; V51-Y60 HydrophobicContact CG1-CD1 3.88Å; V51-Y60 HydrophobicContact CG1-CE1 3.61Å; V51-Y60 HydrophobicContact CG1-CG 4.46Å; V51-Y60 HydrophobicContact CG2-CD1 3.23Å; V51-Y60 HydrophobicContact CG2-CE1 3.52Å; V51-Y60 HydrophobicContact CG2-CG 4.17Å; P58-Y60 HydrophobicContact CB-CD2 4.27Å; P58-Y60 HydrophobicContact CB-CE2 3.52Å; P58-Y60 HydrophobicContact CG-CD2 4.47Å; P58-Y60 HydrophobicContact CG-CE2 3.54Å; Y60-V101 CarbonylContact O-C 3.47Å; Y60-V101 WeakPolarHBondContact O-CA 2.96Å; Y60-S102 PolarHBondContact O-N 3.27Å |
| 61 | L | 89.5 | Confident | 79 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129 | 179.4 | -52.8 | -171.1 | 0 | 0 | 0 | 110.4 | Q49 T50 F52 L63 V101 V109 L120 I124 | Q49-L61 WeakPolarHBondContact CA-O 3.38Å; T50-L61 HydrophobicContact CG2-CB 3.98Å; T50-L61 HydrophobicContact CG2-CD1 4.27Å; T50-L61 HydrophobicContact CG2-CG 4.28Å; T50-L61 PolarHBondContact N-O 3.49Å; T50-L61 PolarHBondContact O-N 3.32Å; F52-L61 HydrophobicContact CE1-CD1 3.74Å; F52-L61 HydrophobicContact CE1-CD2 4.48Å; F52-L61 HydrophobicContact CE1-CG 3.87Å; F52-L61 HydrophobicContact CZ-CD1 4.42Å; L61-L63 HydrophobicContact CB-CD2 4.24Å; L61-L63 HydrophobicContact CB-CG 4.25Å; L61-V101 HydrophobicContact CD2-CG2 3.81Å; L61-V109 HydrophobicContact CD2-CG2 4.19Å; L61-L120 HydrophobicContact CD1-CD2 4.22Å; L61-I124 HydrophobicContact CD1-CD1 4.04Å; L61-I124 HydrophobicContact CD2-CD1 4.02Å; L61-I124 HydrophobicContact CD2-CG1 4.43Å |
| 62 | I | 82.7 | Confident | 77.6 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.1 | 170.5 | -60.3 | 178.6 | 0 | 0 | 0 | 106.9 | T47 Q49 Y64 G99 Y100 | T47-I62 HydrophobicContact CG2-CG2 3.81Å; Q49-I62 HydrophobicContact CG-CG1 4.37Å; I62-Y64 HydrophobicContact CG2-CE2 4.36Å; I62-G99 WeakPolarHBondContact O-CA 2.98Å; I62-Y100 HydrophobicContact CB-CE1 4.17Å; I62-Y100 HydrophobicContact CB-CE2 4.2Å; I62-Y100 HydrophobicContact CD1-CE2 3.77Å; I62-Y100 WeakPolarHBondContact CD1-OH 2.92Å; I62-Y100 HydrophobicContact CG1-CE2 4.37Å; I62-Y100 HydrophobicContact CG2-CE1 4.08Å; I62-Y100 PolarHBondContact N-O 3.09Å; I62-Y100 PolarHBondContact O-N 2.62Å; I62-Y100 VanDerWaalsContact O-N 3.13Å |
| 63 | L | 86.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135 | -173.8 | -55 | 179.1 | 0 | 0 | 0 | 111 | F36 T47 R48 L61 H97 T98 V109 A111 L120 | F36-L63 HydrophobicContact CE1-CD1 3.98Å; T47-L63 CarbonylContact C-O 3.47Å; T47-L63 VanDerWaalsContact CA-O 3.22Å; T47-L63 WeakPolarHBondContact CA-O 3.35Å; R48-L63 HydrophobicContact CB-CB 4.22Å; R48-L63 PolarHBondContact N-O 2.68Å; R48-L63 VanDerWaalsContact O-CB 3.29Å; R48-L63 WeakPolarHBondContact O-CB 2.98Å; R48-L63 PolarHBondContact O-N 3.34Å; L61-L63 HydrophobicContact CB-CD2 4.24Å; L61-L63 HydrophobicContact CB-CG 4.25Å; L63-H97 HydrophobicContact CB-CB 4.06Å; L63-T98 CarbonylContact C-O 3.54Å; L63-T98 WeakPolarHBondContact CA-O 3.44Å; L63-V109 HydrophobicContact CD2-CB 3.96Å; L63-V109 HydrophobicContact CD2-CG1 3.61Å; L63-A111 HydrophobicContact CD1-CB 3.95Å; L63-A111 HydrophobicContact CD2-CB 4.2Å; L63-L120 HydrophobicContact CD1-CD1 4.42Å |
| 64 | Y | 78.2 | Confident | 76.4 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.7 | 173.3 | -60 | -78.2 | 0 | 0 | 0 | 109.8 | D41 R45 T47 I62 E66 H97 T98 Y100 | D41-Y64 HydrophobicContact CB-CE1 4.35Å; D41-Y64 WeakPolarHBondContact OD2-CE1 3.43Å; D41-Y64 PolarHBondContact OD2-OH 3.27Å; R45-Y64 HydrophobicContact CB-CD1 4.35Å; R45-Y64 HydrophobicContact CB-CE1 4.28Å; R45-Y64 HydrophobicContact CG-CD1 3.77Å; R45-Y64 HydrophobicContact CG-CE1 4.19Å; T47-Y64 HydrophobicContact CG2-CD1 3.55Å; T47-Y64 HydrophobicContact CG2-CE1 3.24Å; T47-Y64 HydrophobicContact CG2-CG 4.42Å; I62-Y64 HydrophobicContact CG2-CE2 4.36Å; Y64-E66 PolarHBondContact O-N 2.89Å; Y64-H97 CarbonylContact O-C 3.51Å; Y64-H97 WeakPolarHBondContact O-CA 3.23Å; Y64-H97 VanDerWaalsContact O-CB 3.26Å; Y64-H97 WeakPolarHBondContact O-CB 3.49Å; Y64-T98 PolarHBondContact N-O 2.93Å; Y64-T98 PolarHBondContact O-N 3.23Å; Y64-Y100 HydrophobicContact CE2-CD1 4.01Å; Y64-Y100 AromaticContact CE2-CE1 3.7Å; Y64-Y100 HydrophobicContact CE2-CE1 3.7Å |
| 65 | R | 81.7 | Confident | 76.3 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 132.7 | 175.2 | -170.9 | -174.8 | -174.3 | 131.8 | 27 | 109.9 | R45 E95 H97 | R45-R65 PolarHBondContact NH2-O 3.1Å; R65-E95 IonicContact CZ-OE1 2.7Å; R65-E95 VanDerWaalsContact CZ-OE1 3.29Å; R65-E95 IonicContact CZ-OE2 3.05Å; R65-E95 IonicContact NH1-OE1 2.65Å; R65-E95 PolarHBondContact NH1-OE1 3.35Å; R65-E95 IonicContact NH1-OE2 3.62Å; R65-E95 IonicContact NH2-OE1 3.66Å; R65-E95 PolarHBondContact NH2-OE1 3.18Å; R65-E95 IonicContact NH2-OE2 3.29Å; R65-H97 VanDerWaalsContact CA-CD2 3.49Å; R65-H97 WeakPolarHBondContact CA-CD2 3.48Å; R65-H97 PolarHBondContact N-CD2 2.77Å |
| 66 | E | 68.1 | Low | 76.8 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | trans | -111.3 | 162.8 | 172.3 | -69.2 | -50.9 | 143.9 | 0 | 0 | 112.1 | R45 Y64 L96 T98 R453 | R45-E66 IonicContact CZ-OE1 3.14Å; R45-E66 IonicContact NH1-OE1 3.62Å; R45-E66 IonicContact NH2-OE1 3.61Å; R45-E66 PolarHBondContact NH2-OE1 3.45Å; R45-E66 IonicContact NH2-OE2 3.31Å; Y64-E66 PolarHBondContact O-N 2.89Å; E66-L96 HydrophobicContact CB-CB 4.49Å; E66-L96 HydrophobicContact CB-CD2 4.12Å; E66-L96 HydrophobicContact CB-CG 4.04Å; E66-L96 PolarHBondContact N-O 2.03Å; E66-T98 HydrophobicContact CG-CG2 3.38Å; E66-T98 WeakPolarHBondContact CG-OG1 3.31Å; E66-T98 PolarHBondContact OE1-OG1 3.21Å; E66-R453 IonicContact OE2-CZ 2.95Å; E66-R453 IonicContact OE2-NH1 3.8Å; E66-R453 PolarHBondContact OE2-NH1 3.5Å | ||
| 67 | T | 64.6 | Low | 77.3 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | trans | -84.5 | 123.2 | 173.1 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | L448 R453 | T67-L448 HydrophobicContact CG2-CD2 3.9Å; T67-R453 PolarHBondContact OG1-NH1 2.88Å; T67-R453 PolarHBondContact OG1-NH2 3.4Å | ||
| 68 | S | 62.9 | Low | 78 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | trans | -79.9 | 137.7 | 169.2 | -57 | 0 | 0 | 0 | 0 | 110.5 | H70 L96 D231 | S68-H70 WeakPolarHBondContact CB-CE1 3.33Å; S68-H70 VanDerWaalsContact CB-NE2 3.3Å; S68-H70 WeakPolarHBondContact CB-NE2 3.5Å; S68-H70 PolarHBondContact O-N 2.87Å; S68-L96 WeakPolarHBondContact OG-CB 3.34Å; S68-D231 PolarHBondContact OG-OD2 2.82Å | ||
| 69 | F | 64.7 | Low | 78.4 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | trans | -83.5 | 58.3 | -179.1 | -70.5 | -96.6 | 0 | 0 | 0 | 111.7 | F230 N234 L238 L257 A444 | F69-F230 HydrophobicContact CB-CE1 4.47Å; F69-F230 HydrophobicContact CB-CZ 4.49Å; F69-F230 WeakPolarHBondContact O-CZ 3.32Å; F69-N234 WeakPolarHBondContact CB-ND2 3.39Å; F69-L238 HydrophobicContact CD2-CD1 3.74Å; F69-L238 HydrophobicContact CE2-CD1 3.57Å; F69-L238 HydrophobicContact CG-CD1 4.31Å; F69-L238 HydrophobicContact CZ-CD1 3.99Å; F69-L257 PolarHBondContact O-N 3.36Å; F69-A444 HydrophobicContact CD1-CB 4.19Å | ||
| 70 | H | 65.3 | Low | 78.6 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.5 | 175.8 | -54.6 | 159.1 | 0 | 0 | 0 | 109.1 | S68 S72 L74 I227 F230 D231 | S68-H70 WeakPolarHBondContact CB-CE1 3.33Å; S68-H70 VanDerWaalsContact CB-NE2 3.3Å; S68-H70 WeakPolarHBondContact CB-NE2 3.5Å; S68-H70 PolarHBondContact O-N 2.87Å; H70-S72 PolarHBondContact O-N 3.13Å; H70-L74 HydrophobicContact CB-CD2 4.32Å; H70-I227 VanDerWaalsContact CE1-CG2 3.48Å; H70-I227 WeakPolarHBondContact CE1-CG2 3.35Å; H70-F230 AromaticContact CD2-CD1 3.84Å; H70-F230 AromaticContact CD2-CE1 3.7Å; H70-F230 AromaticContact NE2-CD1 3.84Å; H70-D231 IonicContact CD2-OD1 3.3Å; H70-D231 IonicContact NE2-OD1 3.86Å; H70-D231 PolarHBondContact NE2-OD1 3.16Å; H70-D231 VanDerWaalsContact NE2-OD1 3.14Å |
| 71 | N | 57.7 | Low | 78.6 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 136 | 170.6 | -167.5 | -55.1 | 0 | 0 | 0 | 109.1 | N73 L74 R201 L256 L257 | N71-N73 PolarHBondContact O-N 2.84Å; N71-N73 PolarHBondContact OD1-N 2.73Å; N71-L74 WeakPolarHBondContact O-CB 3.39Å; N71-L74 PolarHBondContact O-N 3.38Å; N71-R201 PolarHBondContact ND2-NH1 2.03Å; N71-L256 HydrophobicContact CB-CD1 4.26Å; N71-L256 HydrophobicContact CB-CD2 4.48Å; N71-L256 HydrophobicContact CB-CG 4.29Å; N71-L257 VanDerWaalsContact CB-O 3.25Å; N71-L257 WeakPolarHBondContact CB-O 3.4Å; N71-L257 PolarHBondContact N-O 2.98Å |
| 72 | S | 61.3 | Low | 78.4 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 72% | 0.72 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | -26.8 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | H70 | H70-S72 PolarHBondContact O-N 3.13Å |
| 73 | N | 68.4 | Low | 78.7 | Confident | 120 Ų | 120 | 48.8 Ų | 48.8 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 32.7 | 175.7 | -63.8 | -19.3 | 0 | 0 | 0 | 112.5 | N71 S75 | N71-N73 PolarHBondContact O-N 2.84Å; N71-N73 PolarHBondContact OD1-N 2.73Å; N73-S75 PolarHBondContact O-N 2.95Å |
| 74 | L | 81.1 | Confident | 79 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.6 | 116.8 | 176.2 | 175.3 | 60.8 | 0 | 0 | 0 | 110.1 | H70 N71 P89 L257 H258 I260 | H70-L74 HydrophobicContact CB-CD2 4.32Å; N71-L74 WeakPolarHBondContact O-CB 3.39Å; N71-L74 PolarHBondContact O-N 3.38Å; L74-P89 WeakPolarHBondContact O-CD 3.22Å; L74-L257 HydrophobicContact CD1-CD2 4.21Å; L74-L257 HydrophobicContact CD1-CG 3.83Å; L74-L257 HydrophobicContact CD2-CD2 4Å; L74-L257 HydrophobicContact CD2-CG 4.48Å; L74-H258 WeakPolarHBondContact CD1-O 3.47Å; L74-I260 HydrophobicContact CD1-CG1 4.39Å; L74-I260 HydrophobicContact CD2-CD1 4.48Å |
| 75 | S | 84.8 | Confident | 79.5 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 12% | 0.119 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.4 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | N73 E259 I260 | N73-S75 PolarHBondContact O-N 2.95Å; S75-E259 VanDerWaalsContact O-CA 3.27Å; S75-E259 WeakPolarHBondContact O-CA 3.47Å; S75-E259 WeakPolarHBondContact O-CG 3.25Å; S75-I260 PolarHBondContact O-N 3.07Å |
| 76 | V | 90.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.8 | 170.1 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | F78 S86 F87 P89 I223 I260 I262 | V76-F78 HydrophobicContact CB-CE2 4.19Å; V76-F78 HydrophobicContact CG1-CD2 4.05Å; V76-F78 HydrophobicContact CG1-CE2 3.49Å; V76-F78 VanDerWaalsContact CG1-CE2 3.49Å; V76-F78 HydrophobicContact CG1-CZ 3.88Å; V76-S86 CarbonylContact O-C 3.55Å; V76-S86 WeakPolarHBondContact O-CA 2.99Å; V76-F87 WeakPolarHBondContact CA-O 3.2Å; V76-F87 HydrophobicContact CB-CB 4.43Å; V76-F87 HydrophobicContact CB-CD1 4.38Å; V76-F87 PolarHBondContact N-O 2.95Å; V76-F87 PolarHBondContact O-N 3.33Å; V76-P89 HydrophobicContact CG2-CG 3.52Å; V76-I223 HydrophobicContact CB-CD1 4.4Å; V76-I223 HydrophobicContact CG1-CD1 3.94Å; V76-I223 HydrophobicContact CG1-CG1 3.96Å; V76-I223 HydrophobicContact CG2-CD1 4.1Å; V76-I223 HydrophobicContact CG2-CG1 4.31Å; V76-I260 CarbonylContact C-O 3.43Å; V76-I260 VanDerWaalsContact CA-O 3.25Å; V76-I260 WeakPolarHBondContact CA-O 3.47Å; V76-I260 HydrophobicContact CG1-CB 4.15Å; V76-I260 HydrophobicContact CG1-CG2 4.27Å; V76-I260 HydrophobicContact CG2-CB 4.17Å; V76-I260 HydrophobicContact CG2-CD1 4.31Å; V76-I262 HydrophobicContact CG1-CD1 3.94Å; V76-I262 HydrophobicContact CG1-CG1 4.36Å |
| 77 | R | 92.9 | Very high | 80.2 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.9 | 179.7 | 177.9 | 164.2 | 45.3 | 105.7 | -3.2 | 110 | I79 E259 I260 V261 I262 | R77-I79 HydrophobicContact CG-CG1 4.3Å; R77-E259 WeakPolarHBondContact CB-OE1 3.35Å; R77-E259 IonicContact CZ-OE1 3.96Å; R77-E259 IonicContact CZ-OE2 3.94Å; R77-E259 IonicContact NE-OE1 3.12Å; R77-E259 PolarHBondContact NE-OE1 2.97Å; R77-E259 IonicContact NE-OE2 3.81Å; R77-E259 IonicContact NH2-OE1 3.57Å; R77-E259 PolarHBondContact NH2-OE1 2.89Å; R77-E259 IonicContact NH2-OE2 3.71Å; R77-E259 PolarHBondContact NH2-OE2 3.02Å; R77-I260 PolarHBondContact N-O 3.43Å; R77-V261 VanDerWaalsContact NH2-CG2 3.25Å; R77-V261 CarbonylContact O-C 3.58Å; R77-V261 WeakPolarHBondContact O-CA 3.02Å; R77-I262 PolarHBondContact O-N 3.3Å |
| 78 | F | 94.2 | Very high | 80.8 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.1 | 174.4 | -70.2 | -90.8 | 0 | 0 | 0 | 110 | V76 T84 Y85 F87 I223 I262 E264 | V76-F78 HydrophobicContact CB-CE2 4.19Å; V76-F78 HydrophobicContact CG1-CD2 4.05Å; V76-F78 HydrophobicContact CG1-CE2 3.49Å; V76-F78 VanDerWaalsContact CG1-CE2 3.49Å; V76-F78 HydrophobicContact CG1-CZ 3.88Å; F78-T84 CarbonylContact O-C 3.59Å; F78-T84 VanDerWaalsContact O-CA 3.24Å; F78-T84 WeakPolarHBondContact O-CA 3.24Å; F78-Y85 HydrophobicContact CB-CD1 3.87Å; F78-Y85 HydrophobicContact CB-CD2 4.04Å; F78-Y85 HydrophobicContact CB-CE1 3.37Å; F78-Y85 HydrophobicContact CB-CE2 3.58Å; F78-Y85 HydrophobicContact CB-CG 4.18Å; F78-Y85 WeakPolarHBondContact CB-OH 3.38Å; F78-Y85 HydrophobicContact CD2-CD2 4.14Å; F78-Y85 AromaticContact CD2-CE2 3.49Å; F78-Y85 HydrophobicContact CD2-CE2 3.49Å; F78-Y85 VanDerWaalsContact CD2-CE2 3.49Å; F78-Y85 AromaticContact CD2-CZ 3.87Å; F78-Y85 HydrophobicContact CE2-CE2 4.31Å; F78-Y85 HydrophobicContact CG-CD2 4.42Å; F78-Y85 HydrophobicContact CG-CE1 4.19Å; F78-Y85 AromaticContact CG-CE2 3.65Å; F78-Y85 HydrophobicContact CG-CE2 3.65Å; F78-Y85 AromaticContact CG-CZ 3.5Å; F78-Y85 VanDerWaalsContact CG-CZ 3.5Å; F78-Y85 WeakPolarHBondContact CG-OH 3.46Å; F78-Y85 PolarHBondContact N-O 2.96Å; F78-Y85 PolarHBondContact O-N 2.94Å; F78-F87 HydrophobicContact CD2-CB 4.12Å; F78-F87 HydrophobicContact CE2-CB 3.84Å; F78-F87 HydrophobicContact CE2-CG 4.4Å; F78-I223 HydrophobicContact CE2-CD1 4.36Å; F78-I223 HydrophobicContact CZ-CD1 3.91Å; F78-I223 HydrophobicContact CZ-CG1 4.42Å; F78-I262 CarbonylContact C-O 3.3Å; F78-I262 WeakPolarHBondContact CA-O 3.34Å; F78-I262 HydrophobicContact CD1-CB 3.83Å; F78-I262 HydrophobicContact CD1-CD1 4.42Å; F78-I262 HydrophobicContact CD1-CG2 4.03Å; F78-I262 HydrophobicContact CE1-CB 3.93Å; F78-I262 HydrophobicContact CE1-CD1 3.67Å; F78-I262 HydrophobicContact CE1-CG1 4.33Å; F78-I262 HydrophobicContact CE1-CG2 4.01Å; F78-I262 HydrophobicContact CZ-CD1 3.87Å; F78-E264 HydrophobicContact CD1-CG 3.79Å |
| 79 | I | 95.5 | Very high | 81.2 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 116.9 | -178.6 | -55.5 | -178.3 | 0 | 0 | 0 | 108 | R77 T84 V261 I262 H263 E264 | R77-I79 HydrophobicContact CG-CG1 4.3Å; I79-T84 HydrophobicContact CB-CG2 4.27Å; I79-T84 HydrophobicContact CG1-CG2 3.87Å; I79-T84 HydrophobicContact CG2-CG2 4.05Å; I79-V261 HydrophobicContact CD1-CG1 3.65Å; I79-V261 HydrophobicContact CG1-CG1 4.24Å; I79-I262 PolarHBondContact N-O 2.8Å; I79-H263 CarbonylContact O-C 3.57Å; I79-H263 WeakPolarHBondContact O-CA 3Å; I79-E264 PolarHBondContact O-N 2.79Å |
| 80 | S | 91.5 | Very high | 81.3 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 175.6 | 179.5 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | N82 G83 S265 | S80-N82 PolarHBondContact O-N 3.16Å; S80-N82 PolarHBondContact OG-N 2.97Å; S80-G83 PolarHBondContact N-O 2.03Å; S80-G83 PolarHBondContact O-N 3.46Å; S80-G83 VanDerWaalsContact O-N 3.13Å; S80-G83 PolarHBondContact OG-O 3.4Å; S80-S265 VanDerWaalsContact C-OG 3.23Å; S80-S265 WeakPolarHBondContact CA-OG 3.22Å |
| 81 | T | 89 | Confident | 81.4 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.3 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | G83 S265 | T81-G83 PolarHBondContact O-N 2.86Å; T81-S265 WeakPolarHBondContact CG2-OG 3.46Å; T81-S265 PolarHBondContact N-OG 3.17Å |
| 82 | N | 85.1 | Confident | 81.9 | Confident | 156 Ų | 156 | 81.8 Ų | 81.8 | 83% | 0.834 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.4 | -178.2 | -60.3 | -18 | 0 | 0 | 0 | 112.4 | S80 | S80-N82 PolarHBondContact O-N 3.16Å; S80-N82 PolarHBondContact OG-N 2.97Å |
| 83 | G | 89.1 | Confident | 82.4 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.6 | -169.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S80 T81 | S80-G83 PolarHBondContact N-O 2.03Å; S80-G83 PolarHBondContact O-N 3.46Å; S80-G83 VanDerWaalsContact O-N 3.13Å; S80-G83 PolarHBondContact OG-O 3.4Å; T81-G83 PolarHBondContact O-N 2.86Å |
| 84 | T | 92.1 | Very high | 82.8 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.7 | -175.5 | 59.8 | 0 | 0 | 0 | 0 | 111 | F78 I79 | F78-T84 CarbonylContact O-C 3.59Å; F78-T84 VanDerWaalsContact O-CA 3.24Å; F78-T84 WeakPolarHBondContact O-CA 3.24Å; I79-T84 HydrophobicContact CB-CG2 4.27Å; I79-T84 HydrophobicContact CG1-CG2 3.87Å; I79-T84 HydrophobicContact CG2-CG2 4.05Å |
| 85 | Y | 90.2 | Very high | 82.9 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.1 | 172.1 | 65 | -85.6 | 0 | 0 | 0 | 110.7 | F78 E264 | F78-Y85 HydrophobicContact CB-CD1 3.87Å; F78-Y85 HydrophobicContact CB-CD2 4.04Å; F78-Y85 HydrophobicContact CB-CE1 3.37Å; F78-Y85 HydrophobicContact CB-CE2 3.58Å; F78-Y85 HydrophobicContact CB-CG 4.18Å; F78-Y85 WeakPolarHBondContact CB-OH 3.38Å; F78-Y85 HydrophobicContact CD2-CD2 4.14Å; F78-Y85 AromaticContact CD2-CE2 3.49Å; F78-Y85 HydrophobicContact CD2-CE2 3.49Å; F78-Y85 VanDerWaalsContact CD2-CE2 3.49Å; F78-Y85 AromaticContact CD2-CZ 3.87Å; F78-Y85 HydrophobicContact CE2-CE2 4.31Å; F78-Y85 HydrophobicContact CG-CD2 4.42Å; F78-Y85 HydrophobicContact CG-CE1 4.19Å; F78-Y85 AromaticContact CG-CE2 3.65Å; F78-Y85 HydrophobicContact CG-CE2 3.65Å; F78-Y85 AromaticContact CG-CZ 3.5Å; F78-Y85 VanDerWaalsContact CG-CZ 3.5Å; F78-Y85 WeakPolarHBondContact CG-OH 3.46Å; F78-Y85 PolarHBondContact N-O 2.96Å; F78-Y85 PolarHBondContact O-N 2.94Å; Y85-E264 WeakPolarHBondContact CE1-OE2 3.32Å; Y85-E264 VanDerWaalsContact OH-CD 3.25Å; Y85-E264 PolarHBondContact OH-OE1 2.81Å; Y85-E264 PolarHBondContact OH-OE2 3.17Å |
| 86 | S | 85.2 | Confident | 82.8 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.8 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | V76 | V76-S86 CarbonylContact O-C 3.55Å; V76-S86 WeakPolarHBondContact O-CA 2.99Å |
| 87 | F | 79 | Confident | 82.5 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.3 | 176.5 | 176.4 | -94.5 | 0 | 0 | 0 | 108.7 | V76 F78 P89 Y93 I223 | V76-F87 WeakPolarHBondContact CA-O 3.2Å; V76-F87 HydrophobicContact CB-CB 4.43Å; V76-F87 HydrophobicContact CB-CD1 4.38Å; V76-F87 PolarHBondContact N-O 2.95Å; V76-F87 PolarHBondContact O-N 3.33Å; F78-F87 HydrophobicContact CD2-CB 4.12Å; F78-F87 HydrophobicContact CE2-CB 3.84Å; F78-F87 HydrophobicContact CE2-CG 4.4Å; F87-P89 HydrophobicContact CD1-CG 4.1Å; F87-P89 HydrophobicContact CE1-CB 4.34Å; F87-P89 HydrophobicContact CE1-CG 3.93Å; F87-P89 WeakPolarHBondContact O-CD 2.99Å; F87-Y93 WeakPolarHBondContact CE1-OH 3.45Å; F87-I223 HydrophobicContact CD1-CD1 4.42Å |
| 88 | Y | 76.8 | Confident | 81.8 | Confident | 141 Ų | 141 | 72.1 Ų | 72.1 | 55% | 0.553 | 36% | 0.359 | S | S | * | . | trans | -113 | 104.6 | 177.9 | -64.3 | -88.6 | 0 | 0 | 0 | 108.6 | K90 | Y88-K90 PolarHBondContact O-N 2.82Š| ||
| 89 | P | 71.3 | Confident | 81 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | trans | -45.4 | 103.7 | 174.1 | -37.5 | 42.5 | 0 | 0 | 0 | 114.7 | L74 V76 F87 Y93 | L74-P89 WeakPolarHBondContact O-CD 3.22Å; V76-P89 HydrophobicContact CG2-CG 3.52Å; F87-P89 HydrophobicContact CD1-CG 4.1Å; F87-P89 HydrophobicContact CE1-CB 4.34Å; F87-P89 HydrophobicContact CE1-CG 3.93Å; F87-P89 WeakPolarHBondContact O-CD 2.99Å; P89-Y93 HydrophobicContact CB-CE2 3.73Å; P89-Y93 HydrophobicContact CG-CE2 3.84Å | ||
| 90 | K | 67.2 | Low | 80.2 | Confident | 206 Ų | 206 | 74.7 Ų | 74.7 | 90% | 0.896 | 37% | 0.37 | S | S | * | . | trans | -91.5 | -12 | 166.5 | -64 | -172.8 | -179.6 | -177.5 | 0 | 113 | Y88 | Y88-K90 PolarHBondContact O-N 2.82Š| ||
| 91 | R | 66.1 | Low | 79.6 | Confident | 181 Ų | 181 | 73.9 Ų | 73.9 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -109.4 | 153.2 | -176.7 | -63.9 | -175.4 | -176.8 | -178.4 | 0.9 | 110.3 | ||
| 92 | K | 68.3 | Low | 79 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | trans | -83.6 | 122.2 | 172 | -60.2 | -173.8 | -178.7 | -179.1 | 0 | 108.7 | E95 P115 | K92-E95 HydrophobicContact CD-CG 4.43Å; K92-P115 HydrophobicContact CB-CG 4.4Å | ||
| 93 | Y | 72.6 | Confident | 78.1 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -84.1 | -43.4 | 179.4 | -70.1 | -81 | 0 | 0 | 0 | 111.9 | F87 P89 P220 I223 I227 | F87-Y93 WeakPolarHBondContact CE1-OH 3.45Å; P89-Y93 HydrophobicContact CB-CE2 3.73Å; P89-Y93 HydrophobicContact CG-CE2 3.84Å; Y93-P220 HydrophobicContact CD1-CB 4.4Å; Y93-P220 WeakPolarHBondContact CD1-O 3.22Å; Y93-P220 HydrophobicContact CE1-CB 3.83Å; Y93-I223 HydrophobicContact CD1-CB 4.19Å; Y93-I223 HydrophobicContact CD1-CG2 4.11Å; Y93-I223 HydrophobicContact CD2-CB 4.4Å; Y93-I223 HydrophobicContact CD2-CG2 3.46Å; Y93-I223 VanDerWaalsContact CD2-CG2 3.46Å; Y93-I223 HydrophobicContact CE1-CB 4.1Å; Y93-I223 HydrophobicContact CE1-CD1 4.1Å; Y93-I223 HydrophobicContact CE1-CG2 4.15Å; Y93-I223 HydrophobicContact CE2-CB 4.27Å; Y93-I223 HydrophobicContact CE2-CD1 4.23Å; Y93-I223 HydrophobicContact CE2-CG2 3.47Å; Y93-I223 VanDerWaalsContact CE2-CG2 3.47Å; Y93-I223 HydrophobicContact CG-CB 4.35Å; Y93-I223 HydrophobicContact CG-CG2 3.78Å; Y93-I223 WeakPolarHBondContact OH-CD1 3.16Å; Y93-I227 HydrophobicContact CD2-CD1 3.84Å; Y93-I227 HydrophobicContact CG-CD1 4.34Å |
| 94 | A | 76.6 | Confident | 76.9 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -143.1 | 139.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | H112 K228 | A94-H112 HydrophobicContact CB-CB 4.21Å; A94-K228 HydrophobicContact CB-CG 4.11Å |
| 95 | E | 82.4 | Confident | 75.3 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.4 | 174.2 | -62.2 | -172.2 | 153.9 | 0 | 0 | 108.9 | R65 K92 H97 H112 L113 P115 | R65-E95 IonicContact CZ-OE1 2.7Å; R65-E95 VanDerWaalsContact CZ-OE1 3.29Å; R65-E95 IonicContact CZ-OE2 3.05Å; R65-E95 IonicContact NH1-OE1 2.65Å; R65-E95 PolarHBondContact NH1-OE1 3.35Å; R65-E95 IonicContact NH1-OE2 3.62Å; R65-E95 IonicContact NH2-OE1 3.66Å; R65-E95 PolarHBondContact NH2-OE1 3.18Å; R65-E95 IonicContact NH2-OE2 3.29Å; K92-E95 HydrophobicContact CD-CG 4.43Å; E95-H97 VanDerWaalsContact CB-CE1 3.44Å; E95-H97 WeakPolarHBondContact CB-CE1 3.45Å; E95-H97 PolarHBondContact O-ND1 2.88Å; E95-H97 IonicContact OE2-CE1 3.97Å; E95-H112 WeakPolarHBondContact O-CA 3.39Å; E95-L113 PolarHBondContact N-O 3.39Å; E95-L113 PolarHBondContact O-N 2.86Å; E95-P115 HydrophobicContact CG-CG 4.08Å |
| 96 | L | 83.7 | Confident | 74 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.6 | 171.7 | -176.4 | 63.6 | 0 | 0 | 0 | 109.8 | E66 S68 L110 A111 D231 | E66-L96 HydrophobicContact CB-CB 4.49Å; E66-L96 HydrophobicContact CB-CD2 4.12Å; E66-L96 HydrophobicContact CB-CG 4.04Å; E66-L96 PolarHBondContact N-O 2.03Å; S68-L96 WeakPolarHBondContact OG-CB 3.34Å; L96-L110 HydrophobicContact CD1-CD1 3.72Å; L96-L110 HydrophobicContact CD1-CG 4.36Å; L96-A111 CarbonylContact C-O 3.54Å; L96-D231 HydrophobicContact CD1-CB 4.03Å; L96-D231 HydrophobicContact CD2-CB 4.18Å |
| 97 | H | 84 | Confident | 73.5 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145 | 176.1 | -69 | 75.3 | 0 | 0 | 0 | 109.8 | L63 Y64 R65 E95 A111 | L63-H97 HydrophobicContact CB-CB 4.06Å; Y64-H97 CarbonylContact O-C 3.51Å; Y64-H97 WeakPolarHBondContact O-CA 3.23Å; Y64-H97 VanDerWaalsContact O-CB 3.26Å; Y64-H97 WeakPolarHBondContact O-CB 3.49Å; R65-H97 VanDerWaalsContact CA-CD2 3.49Å; R65-H97 WeakPolarHBondContact CA-CD2 3.48Å; R65-H97 PolarHBondContact N-CD2 2.77Å; E95-H97 VanDerWaalsContact CB-CE1 3.44Å; E95-H97 WeakPolarHBondContact CB-CE1 3.45Å; E95-H97 PolarHBondContact O-ND1 2.88Å; E95-H97 IonicContact OE2-CE1 3.97Å; H97-A111 HydrophobicContact CB-CB 4.36Å; H97-A111 PolarHBondContact N-O 3.41Å; H97-A111 PolarHBondContact O-N 3.31Å |
| 98 | T | 78 | Confident | 73.3 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 167.2 | 163.8 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | L63 Y64 E66 F108 V109 L110 | L63-T98 CarbonylContact C-O 3.54Å; L63-T98 WeakPolarHBondContact CA-O 3.44Å; Y64-T98 PolarHBondContact N-O 2.93Å; Y64-T98 PolarHBondContact O-N 3.23Å; E66-T98 HydrophobicContact CG-CG2 3.38Å; E66-T98 WeakPolarHBondContact CG-OG1 3.31Å; E66-T98 PolarHBondContact OE1-OG1 3.21Å; T98-F108 HydrophobicContact CG2-CE2 4.02Å; T98-F108 HydrophobicContact CG2-CZ 3.89Å; T98-V109 CarbonylContact C-O 3.1Å; T98-V109 VanDerWaalsContact C-O 3.3Å; T98-V109 WeakPolarHBondContact CA-O 3.49Å; T98-L110 HydrophobicContact CG2-CD1 4.03Å |
| 99 | G | 78.1 | Confident | 73.6 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | -162.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I62 F108 V109 | I62-G99 WeakPolarHBondContact O-CA 2.98Å; G99-F108 CarbonylContact O-C 3.54Å; G99-F108 WeakPolarHBondContact O-CA 3.29Å; G99-V109 PolarHBondContact N-O 2.01Å; G99-V109 PolarHBondContact O-N 3.05Å |
| 100 | Y | 77.1 | Confident | 74.1 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 166.5 | 178.3 | 62.6 | -90.3 | 0 | 0 | 0 | 111 | I62 Y64 | I62-Y100 HydrophobicContact CB-CE1 4.17Å; I62-Y100 HydrophobicContact CB-CE2 4.2Å; I62-Y100 HydrophobicContact CD1-CE2 3.77Å; I62-Y100 WeakPolarHBondContact CD1-OH 2.92Å; I62-Y100 HydrophobicContact CG1-CE2 4.37Å; I62-Y100 HydrophobicContact CG2-CE1 4.08Å; I62-Y100 PolarHBondContact N-O 3.09Å; I62-Y100 PolarHBondContact O-N 2.62Å; I62-Y100 VanDerWaalsContact O-N 3.13Å; Y64-Y100 HydrophobicContact CE2-CD1 4.01Å; Y64-Y100 AromaticContact CE2-CE1 3.7Å; Y64-Y100 HydrophobicContact CE2-CE1 3.7Å |
| 101 | V | 79.4 | Confident | 75.3 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | W59 Y60 L61 G103 S104 S107 V109 I124 V126 | W59-V101 HydrophobicContact CE3-CG1 4.17Å; W59-V101 HydrophobicContact CE3-CG2 4.29Å; W59-V101 HydrophobicContact CZ3-CG2 4.42Å; Y60-V101 CarbonylContact O-C 3.47Å; Y60-V101 WeakPolarHBondContact O-CA 2.96Å; L61-V101 HydrophobicContact CD2-CG2 3.81Å; V101-G103 PolarHBondContact O-N 3.01Å; V101-S104 PolarHBondContact O-N 2.99Å; V101-S107 PolarHBondContact N-OG 3Å; V101-S107 PolarHBondContact O-OG 3.15Å; V101-V109 HydrophobicContact CG2-CG2 4.1Å; V101-I124 HydrophobicContact CG2-CG2 3.49Å; V101-I124 VanDerWaalsContact CG2-CG2 3.49Å; V101-V126 HydrophobicContact CB-CG2 4.36Å; V101-V126 HydrophobicContact CG2-CG2 3.75Å |
| 102 | S | 75.8 | Confident | 76.5 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 133 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 111 | Y60 S104 | Y60-S102 PolarHBondContact O-N 3.27Å; S102-S104 VanDerWaalsContact C-N 3.35Å |
| 103 | G | 66.6 | Low | 77.5 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -10.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V101 | V101-G103 PolarHBondContact O-N 3.01Š|
| 104 | S | 64.8 | Low | 78 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 19% | 0.189 | 17% | 0.17 | C | C | . | . | trans | -96.3 | 130.7 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | V101 S102 V126 | V101-S104 PolarHBondContact O-N 2.99Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S104-V126 WeakPolarHBondContact OG-CG1 3.33Å | ||
| 105 | N | 58.7 | Low | 77.8 | Confident | 67 Ų | 67 | 32.7 Ų | 32.7 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -79.4 | 119.8 | 173.1 | -68.6 | -30 | 0 | 0 | 0 | 109.1 | K547 | N105-K547 WeakPolarHBondContact ND2-CG 3.34Š|
| 106 | Q | 62.8 | Low | 77.3 | Confident | 172 Ų | 172 | 39.9 Ų | 39.9 | 80% | 0.804 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 63.4 | 73.7 | -177.6 | -58.6 | 174.7 | -33.1 | 0 | 0 | 113.3 | ||
| 107 | S | 74.2 | Confident | 76.8 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.3 | 170.4 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | V101 H125 | V101-S107 PolarHBondContact N-OG 3Å; V101-S107 PolarHBondContact O-OG 3.15Å; S107-H125 CarbonylContact C-O 3.55Å; S107-H125 WeakPolarHBondContact CA-O 3.19Å; S107-H125 VanDerWaalsContact CB-O 3.31Å; S107-H125 WeakPolarHBondContact CB-O 3.19Å |
| 108 | F | 73.9 | Confident | 76.3 | Confident | 56 Ų | 56 | 44 Ų | 44 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 138.8 | 175.9 | 175 | -102.7 | 0 | 0 | 0 | 109.7 | T98 G99 L110 H125 Y235 | T98-F108 HydrophobicContact CG2-CE2 4.02Å; T98-F108 HydrophobicContact CG2-CZ 3.89Å; G99-F108 CarbonylContact O-C 3.54Å; G99-F108 WeakPolarHBondContact O-CA 3.29Å; F108-L110 HydrophobicContact CE1-CB 3.95Å; F108-L110 HydrophobicContact CZ-CB 4.35Å; F108-H125 HydrophobicContact CB-CB 4.26Å; F108-H125 AromaticContact CD1-CD2 3.85Å; F108-H125 PolarHBondContact N-O 3.15Å; F108-H125 WeakPolarHBondContact O-CB 3.2Å; F108-H125 PolarHBondContact O-N 3.47Å; F108-Y235 AromaticContact CE1-CE1 3.75Å; F108-Y235 HydrophobicContact CE1-CE1 3.75Å; F108-Y235 HydrophobicContact CE1-CE2 4.44Å; F108-Y235 AromaticContact CE1-CZ 3.6Å; F108-Y235 WeakPolarHBondContact CE1-OH 2.95Å; F108-Y235 WeakPolarHBondContact CE2-OH 3.39Å; F108-Y235 AromaticContact CZ-CE1 3.95Å; F108-Y235 HydrophobicContact CZ-CE1 3.95Å; F108-Y235 AromaticContact CZ-CE2 3.81Å; F108-Y235 HydrophobicContact CZ-CE2 3.81Å; F108-Y235 AromaticContact CZ-CZ 3.3Å; F108-Y235 WeakPolarHBondContact CZ-OH 3.2Å |
| 109 | V | 82.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.9 | 178.8 | -175 | 0 | 0 | 0 | 0 | 108.8 | L61 L63 T98 G99 V101 A111 A122 H123 I124 | L61-V109 HydrophobicContact CD2-CG2 4.19Å; L63-V109 HydrophobicContact CD2-CB 3.96Å; L63-V109 HydrophobicContact CD2-CG1 3.61Å; T98-V109 CarbonylContact C-O 3.1Å; T98-V109 VanDerWaalsContact C-O 3.3Å; T98-V109 WeakPolarHBondContact CA-O 3.49Å; G99-V109 PolarHBondContact N-O 2.01Å; G99-V109 PolarHBondContact O-N 3.05Å; V101-V109 HydrophobicContact CG2-CG2 4.1Å; V109-A111 HydrophobicContact CG1-CB 4.11Å; V109-A122 HydrophobicContact CG1-CB 4.34Å; V109-H123 CarbonylContact C-O 3.54Å; V109-H123 WeakPolarHBondContact CA-O 2.99Å; V109-I124 HydrophobicContact CG1-CG1 3.97Å; V109-I124 HydrophobicContact CG2-CB 4.45Å; V109-I124 HydrophobicContact CG2-CG1 4.13Å; V109-I124 HydrophobicContact CG2-CG2 4.17Å |
| 110 | L | 83.8 | Confident | 77.3 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.9 | 166.1 | -173.4 | 67.3 | 0 | 0 | 0 | 108 | L96 T98 F108 A122 H123 R232 Y235 | L96-L110 HydrophobicContact CD1-CD1 3.72Å; L96-L110 HydrophobicContact CD1-CG 4.36Å; T98-L110 HydrophobicContact CG2-CD1 4.03Å; F108-L110 HydrophobicContact CE1-CB 3.95Å; F108-L110 HydrophobicContact CZ-CB 4.35Å; L110-A122 CarbonylContact O-C 3.39Å; L110-A122 VanDerWaalsContact O-CA 3.26Å; L110-A122 WeakPolarHBondContact O-CA 3.18Å; L110-H123 PolarHBondContact N-O 3.49Å; L110-H123 PolarHBondContact O-N 3.04Å; L110-R232 HydrophobicContact CD2-CG 4.11Å; L110-Y235 HydrophobicContact CD1-CD2 4.1Å; L110-Y235 HydrophobicContact CD1-CG 4.23Å; L110-Y235 HydrophobicContact CD2-CD1 4.02Å; L110-Y235 HydrophobicContact CD2-CG 3.97Å |
| 111 | A | 91.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 L96 H97 V109 L120 S121 A122 | L63-A111 HydrophobicContact CD1-CB 3.95Å; L63-A111 HydrophobicContact CD2-CB 4.2Å; L96-A111 CarbonylContact C-O 3.54Å; H97-A111 HydrophobicContact CB-CB 4.36Å; H97-A111 PolarHBondContact N-O 3.41Å; H97-A111 PolarHBondContact O-N 3.31Å; V109-A111 HydrophobicContact CG1-CB 4.11Å; A111-L120 HydrophobicContact CB-CD1 3.85Å; A111-S121 CarbonylContact C-O 3.46Å; A111-S121 VanDerWaalsContact CA-O 3.31Å; A111-S121 WeakPolarHBondContact CA-O 3.04Å; A111-A122 HydrophobicContact CB-CB 3.83Å |
| 112 | H | 91.4 | Very high | 78.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.8 | 170.6 | -71.2 | 97.5 | 0 | 0 | 0 | 108.3 | A94 E95 S121 K228 D231 | A94-H112 HydrophobicContact CB-CB 4.21Å; E95-H112 WeakPolarHBondContact O-CA 3.39Å; H112-S121 PolarHBondContact N-O 2.02Å; H112-S121 PolarHBondContact O-N 2.97Å; H112-K228 HydrophobicContact CB-CD 4.03Å; H112-K228 HydrophobicContact CB-CG 3.9Å; H112-K228 PolarHBondContact CE1-O 2.04Å; H112-D231 IonicContact CD2-OD2 3.71Å; H112-D231 VanDerWaalsContact NE2-CB 3.32Å; H112-D231 WeakPolarHBondContact NE2-CB 3.27Å; H112-D231 IonicContact NE2-OD2 2.8Å; H112-D231 PolarHBondContact NE2-OD2 2.97Å |
| 113 | L | 89.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.7 | 174.5 | -175.7 | 63.7 | 0 | 0 | 0 | 109.7 | F36 R48 E95 P115 | F36-L113 HydrophobicContact CD1-CD2 4.39Å; F36-L113 HydrophobicContact CD2-CD1 3.7Å; F36-L113 HydrophobicContact CD2-CD2 4.41Å; F36-L113 HydrophobicContact CE1-CD1 4.36Å; F36-L113 HydrophobicContact CE2-CD1 3.39Å; F36-L113 HydrophobicContact CG-CD1 4.32Å; F36-L113 HydrophobicContact CG-CD2 4.25Å; F36-L113 HydrophobicContact CZ-CD1 3.76Å; R48-L113 HydrophobicContact CG-CD2 4.38Å; E95-L113 PolarHBondContact N-O 3.39Å; E95-L113 PolarHBondContact O-N 2.86Å; L113-P115 WeakPolarHBondContact O-CD 3.5Å |
| 114 | E | 82.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | trans | -78.7 | 120.9 | 173.5 | -71.4 | -174.4 | -166.2 | 0 | 0 | 110.6 | Y116 T117 S118 L119 K228 | E114-Y116 VanDerWaalsContact C-N 3.29Å; E114-Y116 PolarHBondContact O-N 2.85Å; E114-Y116 VanDerWaalsContact O-N 3.14Å; E114-T117 WeakPolarHBondContact CB-OG1 3.48Å; E114-T117 PolarHBondContact OE2-OG1 3.48Å; E114-S118 WeakPolarHBondContact O-CA 3.14Å; E114-S118 PolarHBondContact O-N 2.79Å; E114-L119 HydrophobicContact CB-CB 4.21Å; E114-L119 HydrophobicContact CG-CB 4.21Å; E114-L119 PolarHBondContact N-O 3.32Å; E114-K228 IonicContact OE1-NZ 3.86Å | ||
| 115 | P | 72.8 | Confident | 81 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.5 | -169.2 | -26 | 32.2 | 0 | 0 | 0 | 115.4 | K92 E95 L113 | K92-P115 HydrophobicContact CB-CG 4.4Å; E95-P115 HydrophobicContact CG-CG 4.08Å; L113-P115 WeakPolarHBondContact O-CD 3.5Å |
| 116 | Y | 70.8 | Confident | 81.8 | Confident | 176 Ų | 176 | 35.6 Ų | 35.6 | 69% | 0.69 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -28 | -170.7 | -56.8 | -71.7 | 0 | 0 | 0 | 113.4 | E114 | E114-Y116 VanDerWaalsContact C-N 3.29Å; E114-Y116 PolarHBondContact O-N 2.85Å; E114-Y116 VanDerWaalsContact O-N 3.14Å |
| 117 | T | 74.5 | Confident | 82.3 | Confident | 56 Ų | 56 | 35 Ų | 35 | 34% | 0.344 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -16.5 | -176.6 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | R33 E114 L119 | R33-T117 VanDerWaalsContact CD-O 3.27Å; R33-T117 WeakPolarHBondContact CD-O 3.31Å; R33-T117 PolarHBondContact NE-O 3.19Å; R33-T117 PolarHBondContact NH1-O 3Å; E114-T117 WeakPolarHBondContact CB-OG1 3.48Å; E114-T117 PolarHBondContact OE2-OG1 3.48Å; T117-L119 PolarHBondContact O-N 2.82Å; T117-L119 PolarHBondContact OG1-N 3.14Å |
| 118 | S | 73.9 | Confident | 82 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | trans | 54.7 | 24.9 | -169.6 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | E114 L120 | E114-S118 WeakPolarHBondContact O-CA 3.14Å; E114-S118 PolarHBondContact O-N 2.79Å; S118-L120 PolarHBondContact O-N 3.23Å | ||
| 119 | L | 85.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | trans | -68 | 128.2 | 171.5 | -73 | 177.4 | 0 | 0 | 0 | 109.3 | E114 T117 P135 M148 | E114-L119 HydrophobicContact CB-CB 4.21Å; E114-L119 HydrophobicContact CG-CB 4.21Å; E114-L119 PolarHBondContact N-O 3.32Å; T117-L119 PolarHBondContact O-N 2.82Å; T117-L119 PolarHBondContact OG1-N 3.14Å; L119-P135 HydrophobicContact CB-CG 4.01Å; L119-P135 HydrophobicContact CD1-CB 4.2Å; L119-P135 HydrophobicContact CD1-CG 4.23Å; L119-P135 HydrophobicContact CD2-CB 3.98Å; L119-P135 HydrophobicContact CD2-CG 4.14Å; L119-P135 HydrophobicContact CG-CG 4.35Å; L119-M148 HydrophobicContact CD2-CE 4.36Å; L119-M148 HydrophobicContact CD2-SD 3.93Å | ||
| 120 | L | 92 | Very high | 82.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.6 | 177.3 | 176.6 | 65.2 | 0 | 0 | 0 | 109.7 | P34 F36 L61 L63 A111 S118 A122 I133 M148 | P34-L120 HydrophobicContact CG-CB 4.13Å; P34-L120 HydrophobicContact CG-CD2 4.01Å; F36-L120 HydrophobicContact CE2-CB 4.39Å; F36-L120 HydrophobicContact CZ-CB 4.04Å; F36-L120 HydrophobicContact CZ-CD1 4Å; F36-L120 HydrophobicContact CZ-CD2 4.11Å; F36-L120 HydrophobicContact CZ-CG 4.26Å; L61-L120 HydrophobicContact CD1-CD2 4.22Å; L63-L120 HydrophobicContact CD1-CD1 4.42Å; A111-L120 HydrophobicContact CB-CD1 3.85Å; S118-L120 PolarHBondContact O-N 3.23Å; L120-A122 HydrophobicContact CD1-CB 4.02Å; L120-A122 HydrophobicContact CD2-CB 4.49Å; L120-A122 HydrophobicContact CG-CB 4.15Å; L120-I133 HydrophobicContact CD2-CD1 4.03Å; L120-I133 HydrophobicContact CD2-CG2 4.34Å; L120-I133 HydrophobicContact CG-CG2 4.39Å; L120-M148 HydrophobicContact CB-CE 3.68Å; L120-M148 WeakPolarHBondContact O-CE 3.41Å |
| 121 | S | 93.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.6 | 161.6 | -49.8 | 0 | 0 | 0 | 0 | 107.9 | A111 H112 I133 P135 R232 | A111-S121 CarbonylContact C-O 3.46Å; A111-S121 VanDerWaalsContact CA-O 3.31Å; A111-S121 WeakPolarHBondContact CA-O 3.04Å; H112-S121 PolarHBondContact N-O 2.02Å; H112-S121 PolarHBondContact O-N 2.97Å; S121-I133 CarbonylContact C-O 3.56Å; S121-I133 VanDerWaalsContact CA-O 3.26Å; S121-I133 WeakPolarHBondContact CA-O 3.45Å; S121-P135 WeakPolarHBondContact OG-CD 3.26Å; S121-R232 VanDerWaalsContact CB-NH2 3.34Å |
| 122 | A | 93.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | V109 L110 A111 L120 I124 V132 I133 | V109-A122 HydrophobicContact CG1-CB 4.34Å; L110-A122 CarbonylContact O-C 3.39Å; L110-A122 VanDerWaalsContact O-CA 3.26Å; L110-A122 WeakPolarHBondContact O-CA 3.18Å; A111-A122 HydrophobicContact CB-CB 3.83Å; L120-A122 HydrophobicContact CD1-CB 4.02Å; L120-A122 HydrophobicContact CD2-CB 4.49Å; L120-A122 HydrophobicContact CG-CB 4.15Å; A122-I124 HydrophobicContact CB-CG1 4.41Å; A122-V132 CarbonylContact O-C 3.47Å; A122-V132 WeakPolarHBondContact O-CA 3.45Å; A122-I133 HydrophobicContact CB-CB 4.3Å; A122-I133 PolarHBondContact N-O 3.42Å; A122-I133 PolarHBondContact O-N 2.96Å |
| 123 | H | 88.4 | Confident | 82.7 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.3 | 163.7 | -67.7 | -172.6 | 0 | 0 | 0 | 108 | V109 L110 I130 F131 R232 E369 | V109-H123 CarbonylContact C-O 3.54Å; V109-H123 WeakPolarHBondContact CA-O 2.99Å; L110-H123 PolarHBondContact N-O 3.49Å; L110-H123 PolarHBondContact O-N 3.04Å; H123-I130 HydrophobicContact CB-CG2 4.47Å; H123-F131 CarbonylContact C-O 3.52Å; H123-F131 WeakPolarHBondContact CA-O 3.42Å; H123-R232 PolarHBondContact NE2-NH1 3.43Å; H123-E369 IonicContact CE1-OE2 2.77Å; H123-E369 IonicContact NE2-OE2 3.8Å |
| 124 | I | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 106.2 | -176.5 | -59.9 | 164.4 | 0 | 0 | 0 | 107.9 | F52 W59 L61 V101 V109 A122 V126 I130 F131 I133 | F52-I124 HydrophobicContact CZ-CD1 4.17Å; W59-I124 HydrophobicContact CE3-CG2 4.26Å; W59-I124 HydrophobicContact CZ3-CG2 3.77Å; L61-I124 HydrophobicContact CD1-CD1 4.04Å; L61-I124 HydrophobicContact CD2-CD1 4.02Å; L61-I124 HydrophobicContact CD2-CG1 4.43Å; V101-I124 HydrophobicContact CG2-CG2 3.49Å; V101-I124 VanDerWaalsContact CG2-CG2 3.49Å; V109-I124 HydrophobicContact CG1-CG1 3.97Å; V109-I124 HydrophobicContact CG2-CB 4.45Å; V109-I124 HydrophobicContact CG2-CG1 4.13Å; V109-I124 HydrophobicContact CG2-CG2 4.17Å; A122-I124 HydrophobicContact CB-CG1 4.41Å; I124-V126 HydrophobicContact CG2-CG2 3.81Å; I124-I130 CarbonylContact O-C 3.03Å; I124-I130 WeakPolarHBondContact O-CA 3.23Å; I124-F131 HydrophobicContact CB-CB 4.2Å; I124-F131 PolarHBondContact N-O 3.33Å; I124-F131 PolarHBondContact O-N 3.02Å; I124-I133 HydrophobicContact CD1-CD1 3.51Å; I124-I133 HydrophobicContact CD1-CG1 4.16Å |
| 125 | H | 76.2 | Confident | 83.4 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.3 | 174.4 | -59.7 | -107.6 | 0 | 0 | 0 | 108.5 | S107 F108 | S107-H125 CarbonylContact C-O 3.55Å; S107-H125 WeakPolarHBondContact CA-O 3.19Å; S107-H125 VanDerWaalsContact CB-O 3.31Å; S107-H125 WeakPolarHBondContact CB-O 3.19Å; F108-H125 HydrophobicContact CB-CB 4.26Å; F108-H125 AromaticContact CD1-CD2 3.85Å; F108-H125 PolarHBondContact N-O 3.15Å; F108-H125 WeakPolarHBondContact O-CB 3.2Å; F108-H125 PolarHBondContact O-N 3.47Å |
| 126 | V | 76.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.4 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | W59 V101 S104 I124 S128 D129 | W59-V126 HydrophobicContact CZ3-CG2 4.01Å; V101-V126 HydrophobicContact CB-CG2 4.36Å; V101-V126 HydrophobicContact CG2-CG2 3.75Å; S104-V126 WeakPolarHBondContact OG-CG1 3.33Å; I124-V126 HydrophobicContact CG2-CG2 3.81Å; V126-S128 PolarHBondContact O-N 2.93Å; V126-D129 PolarHBondContact N-O 3.4Å; V126-D129 PolarHBondContact O-N 2.95Å; V126-D129 VanDerWaalsContact O-O 3.06Å |
| 127 | E | 72.7 | Confident | 85.1 | Confident | 159 Ų | 159 | 25.8 Ų | 25.8 | 74% | 0.743 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -119.6 | -177 | -58.1 | 167.2 | -165.1 | 0 | 0 | 110.6 | ||
| 128 | S | 68.7 | Low | 85.7 | Confident | 81 Ų | 81 | 23.3 Ų | 23.3 | 57% | 0.566 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 2.1 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 114 | V126 | V126-S128 PolarHBondContact O-N 2.93Š|
| 129 | D | 76.9 | Confident | 86.4 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 17% | 0.171 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144 | -176.5 | -89.4 | -30.3 | 0 | 0 | 0 | 111.3 | V126 F131 R154 | V126-D129 PolarHBondContact N-O 3.4Å; V126-D129 PolarHBondContact O-N 2.95Å; V126-D129 VanDerWaalsContact O-O 3.06Å; D129-F131 HydrophobicContact CB-CD2 4.39Å; D129-F131 HydrophobicContact CB-CE2 3.78Å; D129-R154 VanDerWaalsContact OD1-CD 3.3Å; D129-R154 WeakPolarHBondContact OD1-CD 3.48Å; D129-R154 IonicContact OD1-CZ 2.73Å; D129-R154 IonicContact OD1-NE 2.73Å; D129-R154 PolarHBondContact OD1-NE 2.03Å; D129-R154 IonicContact OD1-NH2 3.67Å; D129-R154 IonicContact OD2-CZ 2.82Å; D129-R154 IonicContact OD2-NE 3.61Å; D129-R154 PolarHBondContact OD2-NE 3.44Å; D129-R154 IonicContact OD2-NH2 3.86Å; D129-R154 PolarHBondContact OD2-NH2 3.44Å |
| 130 | I | 83.7 | Confident | 86.1 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119 | 173.3 | -53.8 | 175.2 | 0 | 0 | 0 | 107.6 | H123 I124 R152 L153 | H123-I130 HydrophobicContact CB-CG2 4.47Å; I124-I130 CarbonylContact O-C 3.03Å; I124-I130 WeakPolarHBondContact O-CA 3.23Å; I130-R152 CarbonylContact O-C 3.49Å; I130-R152 WeakPolarHBondContact O-CA 3.01Å; I130-L153 HydrophobicContact CB-CB 4.04Å; I130-L153 HydrophobicContact CB-CD2 4.39Å; I130-L153 HydrophobicContact CD1-CD2 4.08Å; I130-L153 HydrophobicContact CG2-CB 4.37Å; I130-L153 PolarHBondContact O-N 3.28Å |
| 131 | F | 90.7 | Very high | 85.6 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132 | 174 | -66.4 | -103.3 | 0 | 0 | 0 | 109.5 | W55 W59 H123 I124 D129 I150 Y151 R152 | W55-F131 AromaticContact CD2-CE1 3.97Å; W55-F131 HydrophobicContact CD2-CE1 3.97Å; W55-F131 HydrophobicContact CE3-CD1 4.46Å; W55-F131 HydrophobicContact CE3-CE1 4.31Å; W55-F131 HydrophobicContact CG-CE1 4.2Å; W59-F131 AromaticContact CH2-CD1 3.96Å; W59-F131 HydrophobicContact CH2-CD1 3.96Å; W59-F131 AromaticContact CH2-CD2 3.54Å; W59-F131 HydrophobicContact CH2-CD2 3.54Å; W59-F131 AromaticContact CH2-CE1 3.98Å; W59-F131 HydrophobicContact CH2-CE1 3.98Å; W59-F131 AromaticContact CH2-CE2 3.59Å; W59-F131 HydrophobicContact CH2-CE2 3.59Å; W59-F131 AromaticContact CH2-CG 3.74Å; W59-F131 HydrophobicContact CH2-CG 3.74Å; W59-F131 AromaticContact CH2-CZ 3.8Å; W59-F131 HydrophobicContact CH2-CZ 3.8Å; W59-F131 HydrophobicContact CZ2-CD1 4.03Å; W59-F131 HydrophobicContact CZ2-CD2 4.39Å; W59-F131 AromaticContact CZ2-CE1 3.88Å; W59-F131 HydrophobicContact CZ2-CE1 3.88Å; W59-F131 HydrophobicContact CZ2-CE2 4.28Å; W59-F131 HydrophobicContact CZ2-CG 4.28Å; W59-F131 HydrophobicContact CZ2-CZ 4.01Å; W59-F131 HydrophobicContact CZ3-CD2 4.29Å; H123-F131 CarbonylContact C-O 3.52Å; H123-F131 WeakPolarHBondContact CA-O 3.42Å; I124-F131 HydrophobicContact CB-CB 4.2Å; I124-F131 PolarHBondContact N-O 3.33Å; I124-F131 PolarHBondContact O-N 3.02Å; D129-F131 HydrophobicContact CB-CD2 4.39Å; D129-F131 HydrophobicContact CB-CE2 3.78Å; F131-I150 HydrophobicContact CD1-CD1 4.48Å; F131-Y151 CarbonylContact C-O 3.48Å; F131-Y151 WeakPolarHBondContact CA-O 3.31Å; F131-R152 HydrophobicContact CD1-CG 3.65Å; F131-R152 HydrophobicContact CD2-CG 4.46Å; F131-R152 HydrophobicContact CE1-CG 3.35Å; F131-R152 HydrophobicContact CE2-CG 4.2Å; F131-R152 HydrophobicContact CG-CG 4.2Å; F131-R152 HydrophobicContact CZ-CG 3.66Å |
| 132 | V | 92.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.6 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | A122 E134 I150 Y151 L153 A366 | A122-V132 CarbonylContact O-C 3.47Å; A122-V132 WeakPolarHBondContact O-CA 3.45Å; V132-E134 HydrophobicContact CG1-CG 3.87Å; V132-I150 WeakPolarHBondContact O-CA 3.4Å; V132-Y151 HydrophobicContact CB-CD2 4.29Å; V132-Y151 HydrophobicContact CB-CE1 4.17Å; V132-Y151 HydrophobicContact CB-CE2 3.8Å; V132-Y151 HydrophobicContact CG1-CE1 4.08Å; V132-Y151 HydrophobicContact CG1-CE2 4.19Å; V132-Y151 WeakPolarHBondContact CG1-OH 3.46Å; V132-Y151 HydrophobicContact CG2-CE2 4.11Å; V132-Y151 PolarHBondContact N-O 3.19Å; V132-Y151 PolarHBondContact O-N 3.44Å; V132-Y151 VanDerWaalsContact O-N 3.1Å; V132-L153 HydrophobicContact CG2-CB 4.23Å; V132-L153 HydrophobicContact CG2-CD1 3.89Å; V132-A366 HydrophobicContact CG1-CB 3.98Å; V132-A366 HydrophobicContact CG2-CB 3.98Å |
| 133 | I | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.8 | 172.2 | -58.1 | 178.3 | 0 | 0 | 0 | 108.6 | F31 F52 L120 S121 A122 I124 M148 L149 I150 | F31-I133 HydrophobicContact CE1-CG2 4.16Å; F31-I133 HydrophobicContact CZ-CD1 4.13Å; F31-I133 HydrophobicContact CZ-CG2 3.89Å; F52-I133 HydrophobicContact CE1-CD1 3.93Å; F52-I133 HydrophobicContact CE2-CD1 4.07Å; F52-I133 HydrophobicContact CZ-CD1 3.44Å; F52-I133 VanDerWaalsContact CZ-CD1 3.44Å; L120-I133 HydrophobicContact CD2-CD1 4.03Å; L120-I133 HydrophobicContact CD2-CG2 4.34Å; L120-I133 HydrophobicContact CG-CG2 4.39Å; S121-I133 CarbonylContact C-O 3.56Å; S121-I133 VanDerWaalsContact CA-O 3.26Å; S121-I133 WeakPolarHBondContact CA-O 3.45Å; A122-I133 HydrophobicContact CB-CB 4.3Å; A122-I133 PolarHBondContact N-O 3.42Å; A122-I133 PolarHBondContact O-N 2.96Å; I124-I133 HydrophobicContact CD1-CD1 3.51Å; I124-I133 HydrophobicContact CD1-CG1 4.16Å; I133-M148 HydrophobicContact CG2-CB 4.28Å; I133-M148 HydrophobicContact CG2-CE 4.27Å; I133-L149 CarbonylContact C-O 3.2Å; I133-L149 VanDerWaalsContact CA-O 3.32Å; I133-L149 WeakPolarHBondContact CA-O 2.98Å; I133-I150 HydrophobicContact CD1-CD1 4.25Å; I133-I150 HydrophobicContact CG1-CB 4.18Å; I133-I150 HydrophobicContact CG1-CD1 3.96Å; I133-I150 HydrophobicContact CG1-CG1 4.02Å |
| 134 | E | 93.6 | Very high | 84 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.5 | 177.9 | -65.7 | 179 | -177.8 | 0 | 0 | 110.8 | V132 L136 Y139 L149 Y151 N365 A366 | V132-E134 HydrophobicContact CG1-CG 3.87Å; E134-L136 PolarHBondContact O-N 2.87Å; E134-Y139 PolarHBondContact OE2-OH 3.32Å; E134-L149 PolarHBondContact N-O 3.4Å; E134-L149 PolarHBondContact O-N 3.12Å; E134-Y151 PolarHBondContact OE1-OH 2.92Å; E134-Y151 VanDerWaalsContact OE1-OH 3.1Å; E134-N365 WeakPolarHBondContact OE1-CB 3.49Å; E134-N365 PolarHBondContact OE2-ND2 3.08Å; E134-A366 PolarHBondContact OE1-N 3.05Å; E134-A366 VanDerWaalsContact OE1-N 3.08Å |
| 135 | P | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128.1 | 169.5 | -23.2 | 34.1 | 0 | 0 | 0 | 110.7 | L119 S121 S137 D138 M148 | L119-P135 HydrophobicContact CB-CG 4.01Å; L119-P135 HydrophobicContact CD1-CB 4.2Å; L119-P135 HydrophobicContact CD1-CG 4.23Å; L119-P135 HydrophobicContact CD2-CB 3.98Å; L119-P135 HydrophobicContact CD2-CG 4.14Å; L119-P135 HydrophobicContact CG-CG 4.35Å; S121-P135 WeakPolarHBondContact OG-CD 3.26Å; P135-S137 WeakPolarHBondContact CB-OG 3.04Å; P135-S137 PolarHBondContact O-N 3.22Å; P135-D138 WeakPolarHBondContact CD-OD2 3.16Å; P135-D138 WeakPolarHBondContact O-CB 3.47Å; P135-D138 PolarHBondContact O-N 3.32Å; P135-M148 HydrophobicContact CG-CE 4.35Å |
| 136 | L | 90.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -64 | -25.5 | 176.5 | -167.4 | 63 | 0 | 0 | 0 | 111.1 | I21 F22 L30 E134 D138 Y139 Y142 S147 L149 | I21-L136 HydrophobicContact CG2-CD1 4.5Å; F22-L136 HydrophobicContact CE1-CD1 3.99Å; F22-L136 HydrophobicContact CZ-CD1 3.8Å; F22-L136 HydrophobicContact CZ-CD2 4.24Å; L30-L136 HydrophobicContact CD1-CD2 4.23Å; L30-L136 HydrophobicContact CD2-CD1 4.5Å; L30-L136 HydrophobicContact CD2-CD2 4.15Å; E134-L136 PolarHBondContact O-N 2.87Å; L136-D138 PolarHBondContact O-N 2.79Å; L136-D138 VanDerWaalsContact O-N 3.09Å; L136-Y139 HydrophobicContact CD1-CD2 4.19Å; L136-Y139 PolarHBondContact O-N 3.31Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; L136-Y142 HydrophobicContact CD1-CD2 3.81Å; L136-Y142 HydrophobicContact CD1-CE2 4.21Å; L136-Y142 HydrophobicContact CD1-CG 4.04Å; L136-Y142 HydrophobicContact CD2-CD1 3.73Å; L136-Y142 HydrophobicContact CD2-CD2 4.39Å; L136-Y142 HydrophobicContact CD2-CE1 4.19Å; L136-Y142 HydrophobicContact CD2-CG 3.85Å; L136-Y142 HydrophobicContact CG-CD1 4.04Å; L136-Y142 HydrophobicContact CG-CD2 3.92Å; L136-Y142 HydrophobicContact CG-CG 3.6Å; L136-Y142 VanDerWaalsContact O-CB 3.27Å; L136-Y142 WeakPolarHBondContact O-CB 3.01Å; L136-S147 VanDerWaalsContact CB-O 3.3Å; L136-S147 WeakPolarHBondContact CB-O 3.44Å; L136-S147 PolarHBondContact N-O 2.83Å; L136-L149 HydrophobicContact CD1-CB 4.27Å; L136-L149 HydrophobicContact CD1-CD2 4.43Å |
| 137 | S | 88.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.1 | -8.3 | 172.1 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | P135 Y142 N145 K221 | P135-S137 WeakPolarHBondContact CB-OG 3.04Å; P135-S137 PolarHBondContact O-N 3.22Å; S137-Y142 WeakPolarHBondContact CA-O 3.41Å; S137-N145 WeakPolarHBondContact CB-O 3.39Å; S137-K221 PolarHBondContact O-NZ 2.73Å; S137-K221 VanDerWaalsContact O-NZ 3.08Å |
| 138 | D | 88.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -78.5 | -8.6 | 174.2 | -68.7 | -3.9 | 0 | 0 | 0 | 111.9 | P135 L136 H225 K228 Q362 | P135-D138 WeakPolarHBondContact CD-OD2 3.16Å; P135-D138 WeakPolarHBondContact O-CB 3.47Å; P135-D138 PolarHBondContact O-N 3.32Å; L136-D138 PolarHBondContact O-N 2.79Å; L136-D138 VanDerWaalsContact O-N 3.09Å; D138-H225 IonicContact OD1-CE1 3.82Å; D138-H225 IonicContact OD1-NE2 3.02Å; D138-H225 IonicContact OD2-CE1 2.77Å; D138-H225 PolarHBondContact OD2-CE1 2.87Å; D138-H225 VanDerWaalsContact OD2-CE1 3.31Å; D138-K228 IonicContact OD2-NZ 2.95Å; D138-Q362 PolarHBondContact O-NE2 3.48Å |
| 139 | Y | 86.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -107.3 | 134.9 | 179.1 | -60.6 | -77.8 | 0 | 0 | 0 | 111 | I21 E134 L136 N141 Y142 I143 L149 Q362 V364 | I21-Y139 HydrophobicContact CB-CD1 4.05Å; I21-Y139 HydrophobicContact CB-CE1 4.29Å; I21-Y139 HydrophobicContact CB-CG 4.36Å; I21-Y139 HydrophobicContact CD1-CD1 3.72Å; I21-Y139 HydrophobicContact CD1-CE1 3.28Å; I21-Y139 HydrophobicContact CG1-CD1 3.65Å; I21-Y139 HydrophobicContact CG1-CE1 3.38Å; I21-Y139 HydrophobicContact CG1-CE2 4.31Å; I21-Y139 HydrophobicContact CG1-CG 4.22Å; I21-Y139 HydrophobicContact CG2-CG 4.34Å; E134-Y139 PolarHBondContact OE2-OH 3.32Å; L136-Y139 HydrophobicContact CD1-CD2 4.19Å; L136-Y139 PolarHBondContact O-N 3.31Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; Y139-N141 PolarHBondContact O-N 2.91Å; Y139-N141 VanDerWaalsContact O-N 3.13Å; Y139-Y142 CarbonylContact O-C 3.55Å; Y139-Y142 PolarHBondContact O-N 3.49Å; Y139-I143 PolarHBondContact O-N 3.39Å; Y139-L149 HydrophobicContact CE2-CD2 4.09Å; Y139-Q362 HydrophobicContact CD1-CG 4.18Å; Y139-Q362 HydrophobicContact CE1-CG 4.35Å; Y139-V364 WeakPolarHBondContact OH-CA 3.35Å |
| 140 | I | 80.1 | Confident | 87.6 | Confident | 76 Ų | 76 | 29.2 Ų | 29.2 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -57.5 | -34.5 | -168.6 | -156.3 | 168.3 | 0 | 0 | 0 | 113.9 | Y142 I143 | I140-Y142 PolarHBondContact O-N 2.04Å; I140-I143 HydrophobicContact CG1-CD1 4.06Å; I140-I143 WeakPolarHBondContact O-CD1 3.37Å; I140-I143 WeakPolarHBondContact O-CG1 2.96Å |
| 141 | N | 81 | Confident | 87.9 | Confident | 88 Ų | 88 | 28.2 Ų | 28.2 | 47% | 0.471 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -74.4 | -9.6 | 179.8 | -66 | -14.8 | 0 | 0 | 0 | 113.4 | Y139 | Y139-N141 PolarHBondContact O-N 2.91Å; Y139-N141 VanDerWaalsContact O-N 3.13Å |
| 142 | Y | 84.1 | Confident | 87.7 | Confident | 52 Ų | 52 | 28.9 Ų | 28.9 | 20% | 0.204 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -128 | 19.7 | -171.9 | -61.6 | -72 | 0 | 0 | 0 | 113 | D20 I21 F22 L136 S137 Y139 I140 G144 N145 | D20-Y142 WeakPolarHBondContact OD1-CE2 3.09Å; D20-Y142 PolarHBondContact OD1-OH 2.85Å; D20-Y142 PolarHBondContact OD2-OH 3.43Å; I21-Y142 HydrophobicContact CG2-CE2 4.04Å; F22-Y142 HydrophobicContact CE2-CE1 4.37Å; F22-Y142 HydrophobicContact CE2-CE2 4.19Å; F22-Y142 AromaticContact CE2-CZ 3.66Å; F22-Y142 WeakPolarHBondContact CE2-OH 3.47Å; F22-Y142 HydrophobicContact CZ-CE2 4.31Å; L136-Y142 HydrophobicContact CD1-CD2 3.81Å; L136-Y142 HydrophobicContact CD1-CE2 4.21Å; L136-Y142 HydrophobicContact CD1-CG 4.04Å; L136-Y142 HydrophobicContact CD2-CD1 3.73Å; L136-Y142 HydrophobicContact CD2-CD2 4.39Å; L136-Y142 HydrophobicContact CD2-CE1 4.19Å; L136-Y142 HydrophobicContact CD2-CG 3.85Å; L136-Y142 HydrophobicContact CG-CD1 4.04Å; L136-Y142 HydrophobicContact CG-CD2 3.92Å; L136-Y142 HydrophobicContact CG-CG 3.6Å; L136-Y142 VanDerWaalsContact O-CB 3.27Å; L136-Y142 WeakPolarHBondContact O-CB 3.01Å; S137-Y142 WeakPolarHBondContact CA-O 3.41Å; Y139-Y142 CarbonylContact O-C 3.55Å; Y139-Y142 PolarHBondContact O-N 3.49Å; I140-Y142 PolarHBondContact O-N 2.04Å; Y142-G144 PolarHBondContact O-N 3.15Å; Y142-N145 WeakPolarHBondContact O-CB 3.21Å; Y142-N145 PolarHBondContact O-N 3.15Å |
| 143 | I | 79.2 | Confident | 87.3 | Confident | 93 Ų | 93 | 29.5 Ų | 29.5 | 48% | 0.477 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128.7 | 177.4 | -64.1 | 171.7 | 0 | 0 | 0 | 109.9 | Y139 I140 N145 N216 | Y139-I143 PolarHBondContact O-N 3.39Å; I140-I143 HydrophobicContact CG1-CD1 4.06Å; I140-I143 WeakPolarHBondContact O-CD1 3.37Å; I140-I143 WeakPolarHBondContact O-CG1 2.96Å; I143-N145 VanDerWaalsContact C-N 3.32Å; I143-N216 WeakPolarHBondContact CD1-OD1 3.34Å |
| 144 | G | 79.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 63% | 0.629 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | -6.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y142 | Y142-G144 PolarHBondContact O-N 3.15Š|
| 145 | N | 83.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 35 Ų | 35 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | trans | -71.6 | 129.8 | 173.4 | -164.7 | -42.1 | 0 | 0 | 0 | 110.5 | S137 Y142 I143 S147 | S137-N145 WeakPolarHBondContact CB-O 3.39Å; Y142-N145 WeakPolarHBondContact O-CB 3.21Å; Y142-N145 PolarHBondContact O-N 3.15Å; I143-N145 VanDerWaalsContact C-N 3.32Å; N145-S147 WeakPolarHBondContact OD1-CB 3.27Å; N145-S147 PolarHBondContact OD1-N 3.03Å; N145-S147 PolarHBondContact OD1-OG 3.46Å; N145-S147 VanDerWaalsContact OD1-OG 3.12Å | ||
| 146 | N | 82.6 | Confident | 85.2 | Confident | 97 Ų | 97 | 35.1 Ų | 35.1 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | trans | -92 | -1.9 | -177.7 | -67.1 | -32 | 0 | 0 | 0 | 113.7 | R33 | R33-N146 PolarHBondContact NH2-OD1 2.02Š| ||
| 147 | S | 89.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | trans | -73.4 | 152.7 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 112 | F31 L136 N145 | F31-S147 WeakPolarHBondContact O-CA 3.21Å; L136-S147 VanDerWaalsContact CB-O 3.3Å; L136-S147 WeakPolarHBondContact CB-O 3.44Å; L136-S147 PolarHBondContact N-O 2.83Å; N145-S147 WeakPolarHBondContact OD1-CB 3.27Å; N145-S147 PolarHBondContact OD1-N 3.03Å; N145-S147 PolarHBondContact OD1-OG 3.46Å; N145-S147 VanDerWaalsContact OD1-OG 3.12Å | ||
| 148 | M | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.8 | 177.1 | -51.2 | -55 | -88.7 | 0 | 0 | 108.4 | L30 F31 L119 L120 I133 P135 | L30-M148 WeakPolarHBondContact CA-O 3.09Å; F31-M148 HydrophobicContact CD1-CB 3.85Å; F31-M148 WeakPolarHBondContact CD1-O 3.12Å; F31-M148 HydrophobicContact CD2-CB 4.27Å; F31-M148 HydrophobicContact CD2-CG 4.49Å; F31-M148 HydrophobicContact CE1-CB 3.39Å; F31-M148 HydrophobicContact CE1-CG 4.39Å; F31-M148 HydrophobicContact CE2-CB 3.87Å; F31-M148 HydrophobicContact CE2-CG 4.01Å; F31-M148 HydrophobicContact CG-CB 4.27Å; F31-M148 HydrophobicContact CZ-CB 3.41Å; F31-M148 VanDerWaalsContact CZ-CB 3.41Å; F31-M148 HydrophobicContact CZ-CG 3.95Å; F31-M148 PolarHBondContact N-O 2.85Å; F31-M148 PolarHBondContact O-N 3.22Å; L119-M148 HydrophobicContact CD2-CE 4.36Å; L119-M148 HydrophobicContact CD2-SD 3.93Å; L120-M148 HydrophobicContact CB-CE 3.68Å; L120-M148 WeakPolarHBondContact O-CE 3.41Å; I133-M148 HydrophobicContact CG2-CB 4.28Å; I133-M148 HydrophobicContact CG2-CE 4.27Å; P135-M148 HydrophobicContact CG-CE 4.35Å |
| 149 | L | 93.3 | Very high | 82 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.7 | 170.4 | 172.5 | 58.7 | 0 | 0 | 0 | 108.4 | F22 L25 Y28 L30 I133 E134 L136 Y139 Y151 | F22-L149 HydrophobicContact CD1-CD1 4.4Å; F22-L149 HydrophobicContact CE1-CD1 3.96Å; F22-L149 HydrophobicContact CE1-CD2 4.4Å; L25-L149 HydrophobicContact CD1-CD1 4.14Å; L25-L149 HydrophobicContact CD1-CD2 4.06Å; Y28-L149 HydrophobicContact CD2-CD1 3.83Å; Y28-L149 HydrophobicContact CG-CD1 4.14Å; L30-L149 HydrophobicContact CD2-CB 4.07Å; L30-L149 HydrophobicContact CD2-CD1 3.88Å; I133-L149 CarbonylContact C-O 3.2Å; I133-L149 VanDerWaalsContact CA-O 3.32Å; I133-L149 WeakPolarHBondContact CA-O 2.98Å; E134-L149 PolarHBondContact N-O 3.4Å; E134-L149 PolarHBondContact O-N 3.12Å; L136-L149 HydrophobicContact CD1-CB 4.27Å; L136-L149 HydrophobicContact CD1-CD2 4.43Å; Y139-L149 HydrophobicContact CE2-CD2 4.09Å; L149-Y151 HydrophobicContact CD1-CD1 4.19Å; L149-Y151 HydrophobicContact CD2-CD1 4.14Å; L149-Y151 HydrophobicContact CD2-CE1 4.04Å; L149-Y151 HydrophobicContact CG-CD1 3.8Å; L149-Y151 HydrophobicContact CG-CE1 4.05Å |
| 150 | I | 94.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.2 | 171.4 | 178.5 | 172.5 | 0 | 0 | 0 | 108.4 | Y28 E29 F31 F52 A54 W55 F131 V132 I133 | Y28-I150 WeakPolarHBondContact CA-O 3.49Å; Y28-I150 WeakPolarHBondContact CB-O 3.46Å; E29-I150 HydrophobicContact CB-CG2 4.07Å; E29-I150 PolarHBondContact N-O 2.63Å; E29-I150 VanDerWaalsContact O-CG2 3.25Å; E29-I150 WeakPolarHBondContact O-CG2 3.27Å; E29-I150 PolarHBondContact O-N 2.61Å; F31-I150 HydrophobicContact CD1-CB 4.28Å; F31-I150 HydrophobicContact CD1-CG2 3.49Å; F31-I150 VanDerWaalsContact CD1-CG2 3.49Å; F31-I150 HydrophobicContact CE1-CB 3.85Å; F31-I150 HydrophobicContact CE1-CG2 3.58Å; F52-I150 HydrophobicContact CE2-CD1 3.89Å; F52-I150 HydrophobicContact CZ-CD1 4.46Å; A54-I150 HydrophobicContact CB-CD1 4.1Å; A54-I150 HydrophobicContact CB-CG2 4.24Å; W55-I150 HydrophobicContact CE3-CD1 4.11Å; W55-I150 HydrophobicContact CE3-CG1 4.29Å; W55-I150 HydrophobicContact CE3-CG2 4.5Å; W55-I150 HydrophobicContact CH2-CB 4.13Å; W55-I150 HydrophobicContact CH2-CG1 3.84Å; W55-I150 HydrophobicContact CH2-CG2 3.83Å; W55-I150 VanDerWaalsContact CH2-O 3.27Å; W55-I150 WeakPolarHBondContact CH2-O 3.06Å; W55-I150 HydrophobicContact CZ3-CB 3.82Å; W55-I150 HydrophobicContact CZ3-CD1 3.64Å; W55-I150 HydrophobicContact CZ3-CG1 3.39Å; W55-I150 HydrophobicContact CZ3-CG2 3.35Å; F131-I150 HydrophobicContact CD1-CD1 4.48Å; V132-I150 WeakPolarHBondContact O-CA 3.4Å; I133-I150 HydrophobicContact CD1-CD1 4.25Å; I133-I150 HydrophobicContact CG1-CB 4.18Å; I133-I150 HydrophobicContact CG1-CD1 3.96Å; I133-I150 HydrophobicContact CG1-CG1 4.02Å |
| 151 | Y | 89.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 160.8 | 176 | 53.2 | -82.9 | 0 | 0 | 0 | 108.6 | L25 F131 V132 E134 L149 I156 | L25-Y151 HydrophobicContact CD1-CD1 3.81Å; L25-Y151 HydrophobicContact CD1-CE1 4.34Å; L25-Y151 HydrophobicContact CD1-CG 3.93Å; L25-Y151 HydrophobicContact CD2-CD1 4.29Å; L25-Y151 HydrophobicContact CD2-CD2 3.56Å; L25-Y151 HydrophobicContact CD2-CE2 3.98Å; L25-Y151 HydrophobicContact CD2-CG 3.75Å; L25-Y151 HydrophobicContact CG-CG 4.49Å; F131-Y151 CarbonylContact C-O 3.48Å; F131-Y151 WeakPolarHBondContact CA-O 3.31Å; V132-Y151 HydrophobicContact CB-CD2 4.29Å; V132-Y151 HydrophobicContact CB-CE1 4.17Å; V132-Y151 HydrophobicContact CB-CE2 3.8Å; V132-Y151 HydrophobicContact CG1-CE1 4.08Å; V132-Y151 HydrophobicContact CG1-CE2 4.19Å; V132-Y151 WeakPolarHBondContact CG1-OH 3.46Å; V132-Y151 HydrophobicContact CG2-CE2 4.11Å; V132-Y151 PolarHBondContact N-O 3.19Å; V132-Y151 PolarHBondContact O-N 3.44Å; V132-Y151 VanDerWaalsContact O-N 3.1Å; E134-Y151 PolarHBondContact OE1-OH 2.92Å; E134-Y151 VanDerWaalsContact OE1-OH 3.1Å; L149-Y151 HydrophobicContact CD1-CD1 4.19Å; L149-Y151 HydrophobicContact CD2-CD1 4.14Å; L149-Y151 HydrophobicContact CD2-CE1 4.04Å; L149-Y151 HydrophobicContact CG-CD1 3.8Å; L149-Y151 HydrophobicContact CG-CE1 4.05Å; Y151-I156 HydrophobicContact CD2-CG1 4.31Å; Y151-I156 HydrophobicContact CE2-CD1 4.09Å; Y151-I156 HydrophobicContact CE2-CG1 4.01Å |
| 152 | R | 86.4 | Confident | 78.5 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.4 | 166.6 | -61.7 | 169.4 | -64.8 | -148.9 | -3.7 | 107.8 | I130 F131 R154 D155 | I130-R152 CarbonylContact O-C 3.49Å; I130-R152 WeakPolarHBondContact O-CA 3.01Å; F131-R152 HydrophobicContact CD1-CG 3.65Å; F131-R152 HydrophobicContact CD2-CG 4.46Å; F131-R152 HydrophobicContact CE1-CG 3.35Å; F131-R152 HydrophobicContact CE2-CG 4.2Å; F131-R152 HydrophobicContact CG-CG 4.2Å; F131-R152 HydrophobicContact CZ-CG 3.66Å; R152-R154 HydrophobicContact CB-CB 4.49Å; R152-R154 HydrophobicContact CB-CG 3.65Å; R152-R154 HydrophobicContact CG-CG 4.49Å; R152-R154 VanDerWaalsContact NH1-NH2 3.1Å; R152-R154 PolarHBondContact O-N 2.95Å; R152-D155 WeakPolarHBondContact CB-OD2 3.44Å; R152-D155 IonicContact CZ-OD1 3.9Å; R152-D155 IonicContact CZ-OD2 2.79Å; R152-D155 VanDerWaalsContact CZ-OD2 3.3Å; R152-D155 IonicContact NE-OD1 2.69Å; R152-D155 IonicContact NE-OD2 3.01Å; R152-D155 PolarHBondContact NE-OD2 2.79Å; R152-D155 IonicContact NH2-OD1 2.77Å; R152-D155 PolarHBondContact NH2-OD1 3.45Å; R152-D155 IonicContact NH2-OD2 3.87Å; R152-D155 PolarHBondContact NH2-OD2 2.87Å; R152-D155 WeakPolarHBondContact O-CB 3.41Å; R152-D155 PolarHBondContact O-N 3.37Å |
| 153 | L | 82.8 | Confident | 76.9 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -49.1 | -31.9 | 169.1 | -166.4 | 71.7 | 0 | 0 | 0 | 110 | I130 V132 D155 I156 A366 G410 | I130-L153 HydrophobicContact CB-CB 4.04Å; I130-L153 HydrophobicContact CB-CD2 4.39Å; I130-L153 HydrophobicContact CD1-CD2 4.08Å; I130-L153 HydrophobicContact CG2-CB 4.37Å; I130-L153 PolarHBondContact O-N 3.28Å; V132-L153 HydrophobicContact CG2-CB 4.23Å; V132-L153 HydrophobicContact CG2-CD1 3.89Å; L153-D155 VanDerWaalsContact C-N 3.27Å; L153-D155 PolarHBondContact O-N 2.86Å; L153-I156 HydrophobicContact CD1-CD1 3.8Å; L153-I156 HydrophobicContact CG-CD1 4.46Å; L153-I156 WeakPolarHBondContact O-CG1 3.27Å; L153-I156 PolarHBondContact O-N 3.06Å; L153-A366 HydrophobicContact CD1-CB 3.82Å; L153-G410 CarbonylContact C-O 3.58Å; L153-G410 WeakPolarHBondContact CD2-O 3.25Å; L153-G410 WeakPolarHBondContact CG-O 3.47Å |
| 154 | R | 77.1 | Confident | 75.2 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -74 | 0.1 | 175.2 | 80.3 | 160.8 | 161.3 | 121.9 | -6.1 | 118.4 | D129 R152 G410 Y411 | D129-R154 VanDerWaalsContact OD1-CD 3.3Å; D129-R154 WeakPolarHBondContact OD1-CD 3.48Å; D129-R154 IonicContact OD1-CZ 2.73Å; D129-R154 IonicContact OD1-NE 2.73Å; D129-R154 PolarHBondContact OD1-NE 2.03Å; D129-R154 IonicContact OD1-NH2 3.67Å; D129-R154 IonicContact OD2-CZ 2.82Å; D129-R154 IonicContact OD2-NE 3.61Å; D129-R154 PolarHBondContact OD2-NE 3.44Å; D129-R154 IonicContact OD2-NH2 3.86Å; D129-R154 PolarHBondContact OD2-NH2 3.44Å; R152-R154 HydrophobicContact CB-CB 4.49Å; R152-R154 HydrophobicContact CB-CG 3.65Å; R152-R154 HydrophobicContact CG-CG 4.49Å; R152-R154 VanDerWaalsContact NH1-NH2 3.1Å; R152-R154 PolarHBondContact O-N 2.95Å; R154-G410 PolarHBondContact N-O 3.1Å; R154-Y411 VanDerWaalsContact C-CE1 3.43Å; R154-Y411 VanDerWaalsContact CB-CA 3.47Å; R154-Y411 HydrophobicContact CB-CD1 3.62Å; R154-Y411 HydrophobicContact CB-CG 4.33Å; R154-Y411 WeakPolarHBondContact O-CD1 2.99Å; R154-Y411 WeakPolarHBondContact O-CE1 3.45Å |
| 155 | D | 82.5 | Confident | 73.2 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -99.1 | -2.1 | 175.8 | -69.7 | -51.3 | 0 | 0 | 0 | 111.3 | L25 G26 Q27 R152 L153 Q157 | L25-D155 CarbonylContact C-O 3.56Å; L25-D155 WeakPolarHBondContact CA-O 3.15Å; G26-D155 PolarHBondContact N-O 3.33Å; Q27-D155 VanDerWaalsContact O-CB 3.31Å; Q27-D155 WeakPolarHBondContact O-CB 3.4Å; R152-D155 WeakPolarHBondContact CB-OD2 3.44Å; R152-D155 IonicContact CZ-OD1 3.9Å; R152-D155 IonicContact CZ-OD2 2.79Å; R152-D155 VanDerWaalsContact CZ-OD2 3.3Å; R152-D155 IonicContact NE-OD1 2.69Å; R152-D155 IonicContact NE-OD2 3.01Å; R152-D155 PolarHBondContact NE-OD2 2.79Å; R152-D155 IonicContact NH2-OD1 2.77Å; R152-D155 PolarHBondContact NH2-OD1 3.45Å; R152-D155 IonicContact NH2-OD2 3.87Å; R152-D155 PolarHBondContact NH2-OD2 2.87Å; R152-D155 WeakPolarHBondContact O-CB 3.41Å; R152-D155 PolarHBondContact O-N 3.37Å; L153-D155 VanDerWaalsContact C-N 3.27Å; L153-D155 PolarHBondContact O-N 2.86Å; D155-Q157 PolarHBondContact O-N 3.19Å |
| 156 | I | 77.8 | Confident | 71.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 122.4 | 175.6 | -58 | 173.2 | 0 | 0 | 0 | 110 | Q24 L25 Y151 L153 I158 I161 V364 L367 Y411 | Q24-I156 CarbonylContact O-C 3.52Å; Q24-I156 WeakPolarHBondContact O-CA 3.24Å; L25-I156 HydrophobicContact CD2-CG1 4.05Å; Y151-I156 HydrophobicContact CD2-CG1 4.31Å; Y151-I156 HydrophobicContact CE2-CD1 4.09Å; Y151-I156 HydrophobicContact CE2-CG1 4.01Å; L153-I156 HydrophobicContact CD1-CD1 3.8Å; L153-I156 HydrophobicContact CG-CD1 4.46Å; L153-I156 WeakPolarHBondContact O-CG1 3.27Å; L153-I156 PolarHBondContact O-N 3.06Å; I156-I158 HydrophobicContact CG2-CG1 4.01Å; I156-I158 PolarHBondContact O-N 2.88Å; I156-I158 VanDerWaalsContact O-N 3.17Å; I156-I161 HydrophobicContact CG2-CD1 4.01Å; I156-V364 HydrophobicContact CD1-CG2 3.77Å; I156-V364 HydrophobicContact CG1-CG2 4.06Å; I156-V364 HydrophobicContact CG2-CG2 4.28Å; I156-L367 HydrophobicContact CD1-CB 4.43Å; I156-L367 HydrophobicContact CG2-CD2 4.26Å; I156-Y411 WeakPolarHBondContact O-CE1 3.46Å; I156-Y411 PolarHBondContact O-OH 3.28Å |
| 157 | Q | 72.6 | Confident | 68.7 | Low | 56 Ų | 56 | 55.7 Ų | 55.7 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | trans | -90.9 | 68.1 | -175.1 | -60 | -164.2 | -42.3 | 0 | 0 | 111.6 | S23 Q24 D155 K159 K160 | S23-Q157 PolarHBondContact O-OE1 3.09Å; Q24-Q157 PolarHBondContact O-N 3.04Å; D155-Q157 PolarHBondContact O-N 3.19Å; Q157-K159 PolarHBondContact O-N 3.27Å; Q157-K159 VanDerWaalsContact O-N 3.09Å; Q157-K160 HydrophobicContact CB-CB 4.48Å; Q157-K160 HydrophobicContact CB-CD 4.14Å; Q157-K160 HydrophobicContact CB-CG 4.31Å; Q157-K160 WeakPolarHBondContact O-CB 3.46Å; Q157-K160 PolarHBondContact O-N 3.31Å; Q157-K160 VanDerWaalsContact OE1-CD 3.28Å | ||
| 158 | I | 64 | Low | 66.2 | Low | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.7 | -37.5 | -175.3 | -65.2 | -145.8 | 0 | 0 | 0 | 113.8 | I156 K160 I161 L162 L367 S407 V408 | I156-I158 HydrophobicContact CG2-CG1 4.01Å; I156-I158 PolarHBondContact O-N 2.88Å; I156-I158 VanDerWaalsContact O-N 3.17Å; I158-K160 PolarHBondContact O-N 3.04Å; I158-K160 VanDerWaalsContact O-N 3.12Å; I158-I161 PolarHBondContact O-N 3.04Å; I158-L162 HydrophobicContact CG2-CB 4.39Å; I158-L162 HydrophobicContact CG2-CD1 3.38Å; I158-L162 HydrophobicContact CG2-CG 3.86Å; I158-L162 PolarHBondContact O-N 3.39Å; I158-L367 HydrophobicContact CD1-CD1 3.85Å; I158-S407 VanDerWaalsContact CD1-OG 3.24Å; I158-S407 WeakPolarHBondContact CD1-OG 3.29Å; I158-V408 WeakPolarHBondContact CD1-O 3.17Å |
| 159 | K | 64.3 | Low | 63.4 | Low | 194 Ų | 194 | 64.1 Ų | 64.1 | 84% | 0.843 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -23.5 | 178.7 | -66.1 | -176.8 | -179.3 | 179.3 | 0 | 113.9 | Q157 | Q157-K159 PolarHBondContact O-N 3.27Å; Q157-K159 VanDerWaalsContact O-N 3.09Å |
| 160 | K | 60.2 | Low | 60.6 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 55% | 0.548 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -84.1 | -26.6 | 174.8 | -67.8 | -174.5 | 174.9 | 176.6 | 0 | 112.6 | Q157 I158 | Q157-K160 HydrophobicContact CB-CB 4.48Å; Q157-K160 HydrophobicContact CB-CD 4.14Å; Q157-K160 HydrophobicContact CB-CG 4.31Å; Q157-K160 WeakPolarHBondContact O-CB 3.46Å; Q157-K160 PolarHBondContact O-N 3.31Å; Q157-K160 VanDerWaalsContact OE1-CD 3.28Å; I158-K160 PolarHBondContact O-N 3.04Å; I158-K160 VanDerWaalsContact O-N 3.12Å |
| 161 | I | 56.6 | Low | 57.8 | Low | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -84 | -42.6 | -178.1 | -57.4 | 173.6 | 0 | 0 | 0 | 109.8 | Q24 I156 I158 D357 L363 L367 | Q24-I161 HydrophobicContact CB-CD1 4.1Å; Q24-I161 HydrophobicContact CB-CG1 4.48Å; Q24-I161 HydrophobicContact CG-CD1 3.98Å; Q24-I161 HydrophobicContact CG-CG1 3.98Å; I156-I161 HydrophobicContact CG2-CD1 4.01Å; I158-I161 PolarHBondContact O-N 3.04Å; I161-D357 HydrophobicContact CG2-CB 4.09Å; I161-L363 HydrophobicContact CG2-CD2 3.46Å; I161-L363 VanDerWaalsContact CG2-CD2 3.46Å; I161-L367 HydrophobicContact CD1-CD2 3.54Å; I161-L367 HydrophobicContact CG2-CD2 4.33Å |
| 162 | L | 57.1 | Low | 55.1 | Low | 24 Ų | 24 | 69.2 Ų | 69.2 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | trans | -98.6 | 102.1 | -179.6 | -61.1 | 179.3 | 0 | 0 | 0 | 109.9 | I158 N164 L317 | I158-L162 HydrophobicContact CG2-CB 4.39Å; I158-L162 HydrophobicContact CG2-CD1 3.38Å; I158-L162 HydrophobicContact CG2-CG 3.86Å; I158-L162 PolarHBondContact O-N 3.39Å; L162-N164 PolarHBondContact O-N 3.44Å; L162-L317 HydrophobicContact CD2-CD1 3.72Å; L162-L317 HydrophobicContact CD2-CG 4.16Å | ||
| 163 | N | 50.9 | Low | 52.6 | Low | 123 Ų | 123 | 74.5 Ų | 74.5 | 66% | 0.658 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -69.8 | -7.3 | 172.3 | -85.4 | -17.5 | 0 | 0 | 0 | 113.3 | ||
| 164 | N | 42.9 | Very low | 50.2 | Low | 127 Ų | 127 | 79.2 Ų | 79.2 | 68% | 0.679 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -149.1 | 119.7 | 176.1 | -133.5 | -10.6 | 0 | 0 | 0 | 110.8 | L162 M166 | L162-N164 PolarHBondContact O-N 3.44Å; N164-M166 PolarHBondContact O-N 2.61Å; N164-M166 VanDerWaalsContact O-N 3.14Å |
| 165 | P | 37 | Very low | 48.4 | Very low | 90 Ų | 90 | 75.5 Ų | 75.5 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | trans | -67.9 | 111.8 | 172.3 | 25.5 | -28.6 | 0 | 0 | 0 | 109 | Y406 | P165-Y406 HydrophobicContact CB-CD1 3.87Å; P165-Y406 HydrophobicContact CB-CE1 4.15Å | ||
| 166 | M | 41 | Very low | 46.4 | Very low | 51 Ų | 51 | 78.1 Ų | 78.1 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | trans | -47.5 | 137.7 | -168.4 | -75 | -141.8 | -135.5 | 0 | 0 | 115.5 | N164 Y168 I316 Y406 | N164-M166 PolarHBondContact O-N 2.61Å; N164-M166 VanDerWaalsContact O-N 3.14Å; M166-Y168 HydrophobicContact SD-CD2 4.32Å; M166-I316 HydrophobicContact CE-CB 4.39Å; M166-I316 HydrophobicContact CE-CG1 4.44Å; M166-I316 HydrophobicContact CE-CG2 4.02Å; M166-I316 HydrophobicContact SD-CB 4.45Å; M166-I316 HydrophobicContact SD-CG1 3.88Å; M166-I316 HydrophobicContact SD-CG2 4.27Å; M166-Y406 VanDerWaalsContact O-CD1 3.31Å; M166-Y406 WeakPolarHBondContact O-CD1 3.21Å; M166-Y406 WeakPolarHBondContact O-CE1 3.44Å | ||
| 167 | N | 30.1 | Very low | 44.7 | Very low | 160 Ų | 160 | 85.1 Ų | 85.1 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | trans | -111.6 | 85.5 | 168.8 | -138.3 | 10.2 | 0 | 0 | 0 | 107.3 | ||||
| 168 | Y | 38.3 | Very low | 43.1 | Very low | 44 Ų | 44 | 88 Ų | 88 | 17% | 0.173 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 124 | -172.9 | -156.7 | -98.7 | 0 | 0 | 0 | 111.3 | M166 M319 H384 | M166-Y168 HydrophobicContact SD-CD2 4.32Å; Y168-M319 HydrophobicContact CE2-CE 3.68Å; Y168-M319 HydrophobicContact CE2-CG 4.43Å; Y168-M319 WeakPolarHBondContact OH-CG 3Å; Y168-H384 AromaticContact CD1-CE1 3.63Å; Y168-H384 AromaticContact CG-CE1 3.85Å |
| 169 | K | 31.8 | Very low | 41.9 | Very low | 167 Ų | 167 | 90.5 Ų | 90.5 | 73% | 0.726 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 123.1 | 158.6 | -76 | -175.5 | 175.7 | -177.5 | 0 | 107 | A171 L174 | K169-A171 PolarHBondContact O-N 3.36Å; K169-L174 HydrophobicContact CB-CD1 4.33Å; K169-L174 HydrophobicContact CD-CD1 4.25Å |
| 170 | S | 34.7 | Very low | 40.7 | Very low | 47 Ų | 47 | 87.5 Ų | 87.5 | 33% | 0.329 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -46.4 | 122.3 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | T172 | S170-T172 PolarHBondContact O-N 3.35Š|
| 171 | A | 35.3 | Very low | 39.9 | Very low | 16 Ų | 16 | 83.8 Ų | 83.8 | 13% | 0.132 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.2 | -13.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K169 L173 A175 | K169-A171 PolarHBondContact O-N 3.36Å; A171-L173 VanDerWaalsContact C-N 3.28Å; A171-L173 PolarHBondContact O-N 3.25Å; A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 2.86Å |
| 172 | T | 33.3 | Very low | 39.3 | Very low | 45 Ų | 45 | 89.2 Ų | 89.2 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -32.9 | -174.5 | -41.7 | 0 | 0 | 0 | 0 | 113 | S170 | S170-T172 PolarHBondContact O-N 3.35Å |
| 173 | L | 33.4 | Very low | 38.7 | Very low | 137 Ų | 137 | 92.7 Ų | 92.7 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -91.1 | -41.4 | -176.5 | -154.2 | 76 | 0 | 0 | 0 | 113.4 | A171 A175 | A171-L173 VanDerWaalsContact C-N 3.28Å; A171-L173 PolarHBondContact O-N 3.25Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 2.73Å |
| 174 | L | 34.2 | Very low | 38.3 | Very low | 112 Ų | 112 | 95 Ų | 95 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.7 | -18.4 | -174.4 | -85 | 160.9 | 0 | 0 | 0 | 114 | K169 | K169-L174 HydrophobicContact CB-CD1 4.33Å; K169-L174 HydrophobicContact CD-CD1 4.25Å |
| 175 | A | 38.5 | Very low | 38.4 | Very low | 22 Ų | 22 | 93 Ų | 93 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -13.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A171 L173 W321 | A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 2.86Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 2.73Å; A175-W321 HydrophobicContact CB-CH2 3.49Å; A175-W321 VanDerWaalsContact CB-CH2 3.49Å; A175-W321 HydrophobicContact CB-CZ3 3.79Å |
| 176 | L | 41.3 | Very low | 38.7 | Very low | 71 Ų | 71 | 98.7 Ų | 98.7 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -104.7 | -8.1 | -175.1 | -78.2 | 159.5 | 0 | 0 | 0 | 114.3 | T178 F181 | L176-T178 PolarHBondContact O-N 3.43Å; L176-T178 VanDerWaalsContact O-N 3.11Å; L176-F181 HydrophobicContact CD2-CD2 3.91Å; L176-F181 HydrophobicContact CD2-CE2 3.66Å |
| 177 | E | 40.7 | Very low | 38.5 | Very low | 151 Ų | 151 | 107.4 Ų | 107.4 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11.1 | -171.2 | -75.7 | -174.9 | 163 | 0 | 0 | 115.4 | ||
| 178 | T | 40.5 | Very low | 39.1 | Very low | 117 Ų | 117 | 106.5 Ų | 106.5 | 72% | 0.718 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 0.6 | -171.4 | 54.4 | 0 | 0 | 0 | 0 | 117.1 | L176 | L176-T178 PolarHBondContact O-N 3.43Å; L176-T178 VanDerWaalsContact O-N 3.11Å |
| 179 | D | 38.3 | Very low | 39.2 | Very low | 66 Ų | 66 | 116 Ų | 116 | 35% | 0.353 | 55% | 0.552 | S | S | . | * | trans | -134 | 132.8 | 178.2 | -88.9 | -45.2 | 0 | 0 | 0 | 110 | F181 R340 | D179-F181 HydrophobicContact CB-CD1 4.44Å; D179-F181 HydrophobicContact CB-CD2 4.13Å; D179-F181 HydrophobicContact CB-CE1 3.79Å; D179-F181 HydrophobicContact CB-CE2 3.37Å; D179-F181 HydrophobicContact CB-CZ 3.2Å; D179-F181 WeakPolarHBondContact O-CD2 3.43Å; D179-F181 WeakPolarHBondContact O-CE2 3.43Å; D179-R340 VanDerWaalsContact CG-NH2 3.33Å; D179-R340 IonicContact OD1-CZ 3.92Å; D179-R340 IonicContact OD1-NH2 3.07Å; D179-R340 PolarHBondContact OD1-NH2 3.19Å; D179-R340 VanDerWaalsContact OD1-NH2 3.07Å; D179-R340 IonicContact OD2-CZ 3.02Å; D179-R340 IonicContact OD2-NE 2.81Å; D179-R340 IonicContact OD2-NH1 2.7Å; D179-R340 IonicContact OD2-NH2 2.79Å; D179-R340 PolarHBondContact OD2-NH2 2.76Å | ||
| 180 | T | 38.4 | Very low | 39.8 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 80% | 0.798 | 55% | 0.546 | S | S | * | . | trans | -78.4 | 123.1 | 169.6 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 181 | F | 44.3 | Very low | 40.3 | Very low | 49 Ų | 49 | 116.8 Ų | 116.8 | 22% | 0.215 | 55% | 0.554 | C | S | . | * | trans | -122.7 | 135.1 | -175.1 | -61 | -77.1 | 0 | 0 | 0 | 111.4 | L176 D179 I183 V338 R340 | L176-F181 HydrophobicContact CD2-CD2 3.91Å; L176-F181 HydrophobicContact CD2-CE2 3.66Å; D179-F181 HydrophobicContact CB-CD1 4.44Å; D179-F181 HydrophobicContact CB-CD2 4.13Å; D179-F181 HydrophobicContact CB-CE1 3.79Å; D179-F181 HydrophobicContact CB-CE2 3.37Å; D179-F181 HydrophobicContact CB-CZ 3.2Å; D179-F181 WeakPolarHBondContact O-CD2 3.43Å; D179-F181 WeakPolarHBondContact O-CE2 3.43Å; F181-I183 PolarHBondContact O-N 3.49Å; F181-V338 HydrophobicContact CB-CG1 3.82Å; F181-V338 HydrophobicContact CD1-CG1 3.09Å; F181-V338 HydrophobicContact CD2-CG1 4.39Å; F181-V338 HydrophobicContact CE1-CG1 3.58Å; F181-V338 HydrophobicContact CG-CG1 3.54Å; F181-V338 HydrophobicContact CZ-CG1 4.41Å; F181-R340 HydrophobicContact CD1-CG 4.02Å; F181-R340 HydrophobicContact CE1-CG 3.59Å | ||
| 182 | D | 42.7 | Very low | 40.6 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | B | Isolated β-bridge | trans | -83.5 | 108.6 | 169.4 | -75.9 | -31.5 | 0 | 0 | 0 | 109.8 | Y184 | D182-Y184 PolarHBondContact O-N 2.76Å |
| 183 | I | 45.4 | Very low | 41.3 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | trans | -84.2 | 102.7 | 178.5 | -56.6 | 175.8 | 0 | 0 | 0 | 109 | F181 I185 L330 | F181-I183 PolarHBondContact O-N 3.49Å; I183-I185 HydrophobicContact CG2-CD1 4.38Å; I183-I185 HydrophobicContact CG2-CG1 3.79Å; I183-I185 PolarHBondContact O-N 3.22Å; I183-L330 HydrophobicContact CG1-CD1 4.44Å; I183-L330 HydrophobicContact CG2-CD1 4.46Å | ||
| 184 | Y | 42.2 | Very low | 42.1 | Very low | 172 Ų | 172 | 117 Ų | 117 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | trans | -91.8 | 98.1 | 172.2 | -159 | -91.1 | 0 | 0 | 0 | 110.9 | D182 R186 | D182-Y184 PolarHBondContact O-N 2.76Å; Y184-R186 PolarHBondContact O-N 3.34Å | ||
| 185 | I | 44.2 | Very low | 43 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | trans | -81.3 | 107 | 175.9 | -54.2 | -178.8 | 0 | 0 | 0 | 109.1 | I183 R187 K328 | I183-I185 HydrophobicContact CG2-CD1 4.38Å; I183-I185 HydrophobicContact CG2-CG1 3.79Å; I183-I185 PolarHBondContact O-N 3.22Å; I185-R187 PolarHBondContact O-N 3.07Å; I185-R187 VanDerWaalsContact O-N 3.11Å; I185-K328 HydrophobicContact CD1-CG 4.02Å | ||
| 186 | R | 43.1 | Very low | 44.2 | Very low | 208 Ų | 208 | 122.8 Ų | 122.8 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -75.6 | 100.2 | 172.8 | -150.4 | 177.8 | -168.3 | 177.9 | 2.4 | 108.9 | Y184 K188 | Y184-R186 PolarHBondContact O-N 3.34Å; R186-K188 PolarHBondContact O-N 2.75Å | ||
| 187 | R | 38 | Very low | 46 | Very low | 235 Ų | 235 | 120 Ų | 120 | 89% | 0.887 | 58% | 0.576 | S | S | * | * | trans | -66.2 | 97.6 | 170.6 | -74.4 | -178 | 174.8 | 170.1 | -1.7 | 109.4 | I185 | I185-R187 PolarHBondContact O-N 3.07Å; I185-R187 VanDerWaalsContact O-N 3.11Å | ||
| 188 | K | 42 | Very low | 48.1 | Very low | 140 Ų | 140 | 115.8 Ų | 115.8 | 61% | 0.609 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.5 | 160.5 | -103 | -178.1 | 177.9 | 177.9 | 0 | 108 | R186 F190 L436 | R186-K188 PolarHBondContact O-N 2.75Å; K188-F190 PolarHBondContact O-N 2.04Å; K188-L436 PolarHBondContact NZ-O 2.95Å |
| 189 | R | 41.5 | Very low | 50.5 | Low | 243 Ų | 243 | 110.3 Ų | 110.3 | 92% | 0.917 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 130.6 | 167.7 | -98.6 | -179.8 | 174 | 143.7 | -2.5 | 108.2 | N191 | R189-N191 PolarHBondContact O-N 3.34Š|
| 190 | F | 43.2 | Very low | 53.1 | Low | 139 Ų | 139 | 107.1 Ų | 107.1 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 126.2 | 172.8 | -168.9 | -95.8 | 0 | 0 | 0 | 109.3 | K188 L195 P435 | K188-F190 PolarHBondContact O-N 2.04Å; F190-L195 HydrophobicContact CZ-CD1 4.23Å; F190-P435 HydrophobicContact CD2-CB 4.45Å; F190-P435 HydrophobicContact CE2-CB 4.23Å; F190-P435 HydrophobicContact CE2-CG 4.28Å |
| 191 | N | 45.2 | Very low | 55.7 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | trans | -113.9 | 122.4 | 175 | -167.7 | 2.2 | 0 | 0 | 0 | 107.9 | R189 A193 Q194 | R189-N191 PolarHBondContact O-N 3.34Å; N191-A193 PolarHBondContact O-N 2.88Å; N191-A193 VanDerWaalsContact O-N 3.09Å; N191-Q194 HydrophobicContact CB-CG 4.37Å; N191-Q194 VanDerWaalsContact O-CB 3.28Å; N191-Q194 WeakPolarHBondContact O-CB 3.39Å; N191-Q194 PolarHBondContact O-N 2.96Å | ||
| 192 | P | 42.4 | Very low | 58.2 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -58.2 | -24.3 | -177.9 | 18.7 | -31 | 0 | 0 | 0 | 114 | Q194 L195 | P192-Q194 PolarHBondContact O-N 2.89Å; P192-Q194 VanDerWaalsContact O-N 3.17Å; P192-L195 WeakPolarHBondContact O-CB 3.35Å; P192-L195 PolarHBondContact O-N 3.29Å; P192-L195 VanDerWaalsContact O-N 3.12Å |
| 193 | A | 48.3 | Very low | 60.8 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -60.5 | -20.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N191 L195 | N191-A193 PolarHBondContact O-N 2.88Å; N191-A193 VanDerWaalsContact O-N 3.09Å; A193-L195 PolarHBondContact O-N 3.33Å |
| 194 | Q | 50.1 | Low | 63.3 | Low | 39 Ų | 39 | 90 Ų | 90 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -73.1 | -7.4 | 175.7 | -70.3 | -179 | -56.7 | 0 | 0 | 114 | N191 P192 Q196 S197 P435 | N191-Q194 HydrophobicContact CB-CG 4.37Å; N191-Q194 VanDerWaalsContact O-CB 3.28Å; N191-Q194 WeakPolarHBondContact O-CB 3.39Å; N191-Q194 PolarHBondContact O-N 2.96Å; P192-Q194 PolarHBondContact O-N 2.89Å; P192-Q194 VanDerWaalsContact O-N 3.17Å; Q194-Q196 PolarHBondContact O-N 2.67Å; Q194-Q196 VanDerWaalsContact O-N 3.12Å; Q194-S197 VanDerWaalsContact O-CB 3.32Å; Q194-S197 WeakPolarHBondContact O-CB 3.41Å; Q194-S197 PolarHBondContact O-N 3.07Å; Q194-P435 VanDerWaalsContact CD-O 3.26Å; Q194-P435 PolarHBondContact NE2-O 3.17Å; Q194-P435 PolarHBondContact OE1-O 3.18Å |
| 195 | L | 53.3 | Low | 66 | Low | 129 Ų | 129 | 81.8 Ų | 81.8 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -61.5 | -19.9 | 175.1 | -129.1 | 81.9 | 0 | 0 | 0 | 112.4 | F190 P192 A193 | F190-L195 HydrophobicContact CZ-CD1 4.23Å; P192-L195 WeakPolarHBondContact O-CB 3.35Å; P192-L195 PolarHBondContact O-N 3.29Å; P192-L195 VanDerWaalsContact O-N 3.12Å; A193-L195 PolarHBondContact O-N 3.33Å |
| 196 | Q | 62.9 | Low | 68.6 | Low | 127 Ų | 127 | 77.7 Ų | 77.7 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -93 | -3.3 | 176.7 | -65.3 | -178.5 | -8.3 | 0 | 0 | 113.6 | Q194 K198 | Q194-Q196 PolarHBondContact O-N 2.67Å; Q194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-K198 PolarHBondContact O-N 3.32Å; Q196-K198 VanDerWaalsContact O-N 3.16Å |
| 197 | S | 79.4 | Confident | 71.2 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 99.1 | 179.2 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | Q194 F438 E439 | Q194-S197 VanDerWaalsContact O-CB 3.32Å; Q194-S197 WeakPolarHBondContact O-CB 3.41Å; Q194-S197 PolarHBondContact O-N 3.07Å; S197-F438 WeakPolarHBondContact CB-O 3.12Å; S197-F438 PolarHBondContact OG-O 3.3Å; S197-E439 CarbonylContact C-O 3.55Å; S197-E439 VanDerWaalsContact CA-O 3.28Å; S197-E439 WeakPolarHBondContact CA-O 3.49Å |
| 198 | K | 85.4 | Confident | 74.1 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -7.2 | -176.1 | -62.3 | -173 | 178.2 | -172.9 | 0 | 115.1 | Q196 I251 G252 Y253 G254 F438 E439 | Q196-K198 PolarHBondContact O-N 3.32Å; Q196-K198 VanDerWaalsContact O-N 3.16Å; K198-I251 PolarHBondContact NZ-O 3.45Å; K198-G252 WeakPolarHBondContact CB-O 3.14Å; K198-Y253 HydrophobicContact CB-CD1 4.2Å; K198-Y253 HydrophobicContact CB-CE1 4.38Å; K198-Y253 HydrophobicContact CB-CG 4.47Å; K198-Y253 HydrophobicContact CG-CD1 4.44Å; K198-Y253 HydrophobicContact CG-CE1 4.21Å; K198-Y253 HydrophobicContact CG-CE2 4.42Å; K198-Y253 WeakPolarHBondContact O-CA 3.37Å; K198-G254 PolarHBondContact O-N 2.95Å; K198-G254 VanDerWaalsContact O-N 3.1Å; K198-F438 VanDerWaalsContact C-CD1 3.47Å; K198-F438 WeakPolarHBondContact O-CD1 3.28Å; K198-E439 PolarHBondContact N-O 3.25Å; K198-E439 VanDerWaalsContact N-O 3.08Å |
| 199 | L | 89.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | -174.6 | -57.6 | -179.2 | 0 | 0 | 0 | 113 | L238 L256 F438 E439 A444 | L199-L238 HydrophobicContact CD2-CD2 4.26Å; L199-L256 HydrophobicContact CB-CB 4.13Å; L199-F438 WeakPolarHBondContact O-CA 3.17Å; L199-E439 PolarHBondContact N-O 3.43Å; L199-E439 VanDerWaalsContact N-O 3.15Å; L199-E439 PolarHBondContact O-N 2.93Å; L199-A444 HydrophobicContact CD1-CB 3.62Å |
| 200 | C | 93.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.6 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L202 G254 F255 L256 C302 W380 F438 | C200-L202 PolarHBondContact O-N 2.92Å; C200-G254 PolarHBondContact N-O 2.77Å; C200-F255 HydrophobicContact CB-CD1 3.8Å; C200-F255 HydrophobicContact CB-CE1 4.21Å; C200-F255 CarbonylContact O-C 3.59Å; C200-F255 VanDerWaalsContact O-CA 3.23Å; C200-F255 WeakPolarHBondContact O-CA 3.48Å; C200-L256 PolarHBondContact O-N 2.69Å; C200-C302 VanDerWaalsContact CA-SG 3.58Å; C200-C302 HydrophobicContact CB-CB 3.97Å; C200-C302 WeakPolarHBondContact CB-SG 3.45Å; C200-C302 WeakPolarHBondContact SG-CB 3.25Å; C200-C302 CovalentContact SG-SG 2.04Å; C200-C302 PolarHBondContact SG-SG 3.26Å; C200-W380 HydrophobicContact CB-CZ2 4.01Å; C200-F438 HydrophobicContact CB-CD1 4.45Å; C200-F438 HydrophobicContact CB-CD2 4.17Å; C200-F438 HydrophobicContact CB-CE1 3.93Å; C200-F438 HydrophobicContact CB-CE2 3.67Å; C200-F438 HydrophobicContact CB-CZ 3.53Å |
| 201 | R | 93.4 | Very high | 81.8 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 15% | 0.151 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 105.2 | 175 | -170.3 | 177.8 | -81.3 | -89.5 | -2.8 | 112 | N71 H258 Q300 C302 L303 E439 | N71-R201 PolarHBondContact ND2-NH1 2.03Å; R201-H258 WeakPolarHBondContact CD-CD2 3.42Å; R201-H258 HydrophobicContact CG-CB 3.36Å; R201-H258 PolarHBondContact NH1-CE1 2.83Å; R201-H258 VanDerWaalsContact NH1-CG 3.25Å; R201-H258 PolarHBondContact NH1-ND1 3.34Å; R201-Q300 WeakPolarHBondContact CD-O 3.1Å; R201-C302 HydrophobicContact CB-CB 4.1Å; R201-C302 VanDerWaalsContact N-CB 3.31Å; R201-C302 WeakPolarHBondContact O-CA 3.28Å; R201-C302 VanDerWaalsContact O-CB 3.29Å; R201-C302 WeakPolarHBondContact O-CB 3.01Å; R201-C302 PolarHBondContact O-N 2.88Å; R201-L303 PolarHBondContact O-N 3.22Å; R201-E439 IonicContact CZ-OE1 2.78Å; R201-E439 IonicContact CZ-OE2 3.89Å; R201-E439 IonicContact NE-OE1 3.75Å; R201-E439 PolarHBondContact NE-OE1 3.22Å; R201-E439 IonicContact NE-OE2 3.33Å; R201-E439 IonicContact NH2-OE1 3.8Å; R201-E439 PolarHBondContact NH2-OE1 3.46Å; R201-E439 IonicContact NH2-OE2 3.5Å; R201-E439 PolarHBondContact NH2-OE2 2.92Å |
| 202 | L | 96 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.2 | -176.5 | -177 | 60.4 | 0 | 0 | 0 | 111.3 | C200 L204 F230 F255 L256 H258 L303 H305 L376 | C200-L202 PolarHBondContact O-N 2.92Å; L202-L204 HydrophobicContact CD1-CD2 4.35Å; L202-L204 HydrophobicContact CD2-CD2 4.07Å; L202-L204 HydrophobicContact CD2-CG 4.32Å; L202-L204 HydrophobicContact CG-CD2 4.11Å; L202-L204 HydrophobicContact CG-CG 4.23Å; L202-F230 HydrophobicContact CD2-CD2 4.07Å; L202-F230 HydrophobicContact CD2-CE2 4.3Å; L202-F255 HydrophobicContact CB-CB 4.1Å; L202-F255 HydrophobicContact CB-CD1 3.79Å; L202-F255 HydrophobicContact CB-CG 4.24Å; L202-F255 HydrophobicContact CD1-CD1 4.43Å; L202-F255 HydrophobicContact CD1-CE1 4.39Å; L202-F255 HydrophobicContact CD2-CB 4.2Å; L202-F255 HydrophobicContact CD2-CD1 3.87Å; L202-F255 HydrophobicContact CD2-CD2 4.4Å; L202-F255 HydrophobicContact CD2-CE1 4.25Å; L202-F255 HydrophobicContact CD2-CG 3.92Å; L202-F255 HydrophobicContact CG-CD1 4.25Å; L202-L256 PolarHBondContact N-O 2.97Å; L202-H258 WeakPolarHBondContact O-CB 3.47Å; L202-H258 PolarHBondContact O-N 2.99Å; L202-L303 WeakPolarHBondContact CA-O 3.43Å; L202-L303 HydrophobicContact CD1-CB 4.02Å; L202-L303 HydrophobicContact CD1-CD2 4.17Å; L202-L303 HydrophobicContact CD1-CG 4.21Å; L202-H305 HydrophobicContact CD1-CB 4.48Å; L202-L376 HydrophobicContact CD1-CD2 4.48Å |
| 203 | T | 97 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.8 | 171.3 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | I205 E259 V261 F296 S301 L303 A304 H305 | T203-I205 HydrophobicContact CG2-CD1 3.91Å; T203-I205 HydrophobicContact CG2-CG1 4.5Å; T203-I205 WeakPolarHBondContact O-CD1 3.2Å; T203-E259 WeakPolarHBondContact CA-O 3.29Å; T203-E259 HydrophobicContact CG2-CB 3.99Å; T203-E259 HydrophobicContact CG2-CG 4.43Å; T203-V261 HydrophobicContact CG2-CG2 4.23Å; T203-F296 HydrophobicContact CG2-CE1 4.46Å; T203-S301 WeakPolarHBondContact CB-OG 3.37Å; T203-S301 PolarHBondContact OG1-OG 2.7Å; T203-L303 PolarHBondContact N-O 3.17Å; T203-A304 CarbonylContact O-C 3.49Å; T203-A304 WeakPolarHBondContact O-CA 3.27Å; T203-H305 PolarHBondContact O-N 2.92Å |
| 204 | L | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.2 | 179.9 | -67.7 | 177.8 | 0 | 0 | 0 | 110.1 | L202 V226 F230 L257 E259 I260 V261 H305 | L202-L204 HydrophobicContact CD1-CD2 4.35Å; L202-L204 HydrophobicContact CD2-CD2 4.07Å; L202-L204 HydrophobicContact CD2-CG 4.32Å; L202-L204 HydrophobicContact CG-CD2 4.11Å; L202-L204 HydrophobicContact CG-CG 4.23Å; L204-V226 HydrophobicContact CB-CG1 3.64Å; L204-V226 HydrophobicContact CD1-CG1 3.62Å; L204-V226 HydrophobicContact CG-CG1 4.28Å; L204-F230 HydrophobicContact CD1-CB 3.82Å; L204-F230 HydrophobicContact CD1-CD2 4.39Å; L204-L257 HydrophobicContact CD1-CD1 4Å; L204-L257 HydrophobicContact CG-CD1 4.2Å; L204-E259 PolarHBondContact N-O 3.16Å; L204-E259 VanDerWaalsContact N-O 3.07Å; L204-I260 CarbonylContact O-C 3.56Å; L204-I260 VanDerWaalsContact O-CA 3.31Å; L204-I260 WeakPolarHBondContact O-CA 3.36Å; L204-V261 PolarHBondContact O-N 2.78Å; L204-H305 HydrophobicContact CD2-CB 3.89Å |
| 205 | I | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.3 | -176.7 | -55.7 | 75.9 | 0 | 0 | 0 | 107.7 | T203 V261 Y273 F293 F296 A304 H305 L306 L307 | T203-I205 HydrophobicContact CG2-CD1 3.91Å; T203-I205 HydrophobicContact CG2-CG1 4.5Å; T203-I205 WeakPolarHBondContact O-CD1 3.2Å; I205-V261 CarbonylContact C-O 3.54Å; I205-V261 WeakPolarHBondContact CA-O 3.45Å; I205-V261 HydrophobicContact CB-CB 4.32Å; I205-V261 HydrophobicContact CG1-CB 4.01Å; I205-V261 HydrophobicContact CG1-CG2 4.24Å; I205-V261 HydrophobicContact CG2-CB 4.07Å; I205-V261 HydrophobicContact CG2-CG1 4.27Å; I205-Y273 HydrophobicContact CG2-CE2 4.07Å; I205-F293 HydrophobicContact CB-CE2 4.39Å; I205-F293 HydrophobicContact CD1-CE2 4.04Å; I205-F293 HydrophobicContact CD1-CZ 3.61Å; I205-F293 HydrophobicContact CG1-CE2 4.06Å; I205-F293 HydrophobicContact CG1-CZ 4.16Å; I205-F296 HydrophobicContact CD1-CE1 4.13Å; I205-F296 HydrophobicContact CD1-CZ 4.38Å; I205-F296 HydrophobicContact CG1-CE1 4.23Å; I205-F296 HydrophobicContact CG1-CE2 4.33Å; I205-F296 HydrophobicContact CG1-CZ 4.02Å; I205-A304 HydrophobicContact CD1-CB 4.16Å; I205-H305 WeakPolarHBondContact CD1-O 2.96Å; I205-H305 PolarHBondContact N-O 2.67Å; I205-L306 HydrophobicContact CB-CD1 3.97Å; I205-L306 HydrophobicContact CG2-CD1 3.75Å; I205-L306 CarbonylContact O-C 3.4Å; I205-L307 PolarHBondContact O-N 2.95Å |
| 206 | A | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | F210 T222 V226 V261 I262 H263 | A206-F210 HydrophobicContact CB-CB 4.4Å; A206-F210 HydrophobicContact CB-CD1 3.52Å; A206-F210 HydrophobicContact CB-CE1 4.05Å; A206-F210 HydrophobicContact CB-CG 4.17Å; A206-T222 HydrophobicContact CB-CG2 4.02Å; A206-V226 HydrophobicContact CB-CG2 4.48Å; A206-V261 PolarHBondContact N-O 3.04Å; A206-I262 HydrophobicContact CB-CG1 4.33Å; A206-H263 PolarHBondContact O-N 3.09Å |
| 207 | D | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -72.2 | 173.2 | 171.5 | 74.8 | 13.1 | 0 | 0 | 0 | 112.1 | D209 F210 F211 L306 L307 S308 K310 | D207-D209 VanDerWaalsContact C-N 3.31Å; D207-D209 PolarHBondContact O-N 2.89Å; D207-D209 PolarHBondContact OD1-N 3.44Å; D207-D209 VanDerWaalsContact OD1-N 3.15Å; D207-F210 PolarHBondContact O-N 3.29Å; D207-F210 WeakPolarHBondContact OD1-CB 3Å; D207-F210 PolarHBondContact OD1-N 3.41Å; D207-F211 PolarHBondContact O-N 2.98Å; D207-L306 HydrophobicContact CB-CD1 4.18Å; D207-L307 PolarHBondContact N-O 3Å; D207-S308 WeakPolarHBondContact OD2-CA 3.31Å; D207-S308 VanDerWaalsContact OD2-CB 3.29Å; D207-S308 WeakPolarHBondContact OD2-CB 3.43Å; D207-S308 PolarHBondContact OD2-OG 3.19Å; D207-K310 WeakPolarHBondContact OD2-CE 3Å | ||
| 208 | Y | 97.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 13% | 0.129 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.9 | -30.6 | -176.9 | 174.2 | -112.9 | 0 | 0 | 0 | 113.7 | F211 T212 R217 H263 E264 S265 W266 N274 | Y208-F211 HydrophobicContact CD2-CD1 4.04Å; Y208-F211 HydrophobicContact CE2-CD1 4.28Å; Y208-T212 WeakPolarHBondContact CE2-OG1 3.09Å; Y208-T212 WeakPolarHBondContact O-CB 3.44Å; Y208-T212 PolarHBondContact O-N 3.22Å; Y208-T212 PolarHBondContact O-OG1 2.76Å; Y208-R217 PolarHBondContact OH-NH1 3.28Å; Y208-R217 PolarHBondContact OH-NH2 2.98Å; Y208-H263 VanDerWaalsContact CA-O 3.29Å; Y208-H263 WeakPolarHBondContact CA-O 3.49Å; Y208-E264 VanDerWaalsContact CD2-O 3.24Å; Y208-E264 WeakPolarHBondContact CD2-O 3.34Å; Y208-E264 WeakPolarHBondContact CE2-O 3.24Å; Y208-S265 VanDerWaalsContact CD2-CA 3.45Å; Y208-W266 AromaticContact CD1-CD1 3.7Å; Y208-W266 AromaticContact CD1-CD2 3.41Å; Y208-W266 HydrophobicContact CD1-CD2 3.41Å; Y208-W266 VanDerWaalsContact CD1-CD2 3.41Å; Y208-W266 AromaticContact CD1-CE2 3.32Å; Y208-W266 AromaticContact CD1-CE3 3.9Å; Y208-W266 HydrophobicContact CD1-CE3 3.9Å; Y208-W266 AromaticContact CD1-CG 3.71Å; Y208-W266 HydrophobicContact CD1-CG 3.71Å; Y208-W266 HydrophobicContact CD1-CH2 4.2Å; Y208-W266 AromaticContact CD1-CZ2 3.78Å; Y208-W266 HydrophobicContact CD1-CZ2 3.78Å; Y208-W266 HydrophobicContact CD1-CZ3 4.26Å; Y208-W266 AromaticContact CD1-NE1 3.48Å; Y208-W266 AromaticContact CE1-CD1 3.6Å; Y208-W266 HydrophobicContact CE1-CD2 4.12Å; Y208-W266 AromaticContact CE1-CE2 3.81Å; Y208-W266 HydrophobicContact CE1-CG 4.05Å; Y208-W266 HydrophobicContact CE1-CZ2 4.44Å; Y208-W266 AromaticContact CE1-NE1 3.44Å; Y208-W266 HydrophobicContact CG-CD2 4.24Å; Y208-W266 HydrophobicContact CG-CE3 4.36Å; Y208-N274 WeakPolarHBondContact CB-OD1 3.35Å; Y208-N274 PolarHBondContact N-OD1 3.24Å |
| 209 | D | 95.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 21.2 Ų | 21.2 | 21% | 0.209 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | 174.7 | -79.2 | -28 | 0 | 0 | 0 | 110.5 | D207 T212 N213 W266 K310 | D207-D209 VanDerWaalsContact C-N 3.31Å; D207-D209 PolarHBondContact O-N 2.89Å; D207-D209 PolarHBondContact OD1-N 3.44Å; D207-D209 VanDerWaalsContact OD1-N 3.15Å; D209-T212 PolarHBondContact O-N 3.28Å; D209-N213 WeakPolarHBondContact O-CB 3.03Å; D209-N213 PolarHBondContact O-N 3.3Å; D209-N213 PolarHBondContact O-ND2 2.04Å; D209-W266 HydrophobicContact CB-CH2 4.08Å; D209-W266 WeakPolarHBondContact OD1-CH2 3.44Å; D209-W266 WeakPolarHBondContact OD1-CZ2 3.39Å; D209-W266 WeakPolarHBondContact OD2-CH2 3.33Å; D209-W266 WeakPolarHBondContact OD2-CZ2 3.26Å; D209-K310 IonicContact OD2-NZ 3.32Å |
| 210 | F | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 173.8 | -176 | -80.6 | 0 | 0 | 0 | 111.1 | A206 D207 T212 L214 G215 T222 H225 V226 L307 Y355 | A206-F210 HydrophobicContact CB-CB 4.4Å; A206-F210 HydrophobicContact CB-CD1 3.52Å; A206-F210 HydrophobicContact CB-CE1 4.05Å; A206-F210 HydrophobicContact CB-CG 4.17Å; D207-F210 PolarHBondContact O-N 3.29Å; D207-F210 WeakPolarHBondContact OD1-CB 3Å; D207-F210 PolarHBondContact OD1-N 3.41Å; F210-T212 VanDerWaalsContact C-N 3.27Å; F210-T212 PolarHBondContact O-N 3.24Å; F210-L214 HydrophobicContact CD2-CD2 4.31Å; F210-L214 HydrophobicContact CE1-CD2 4.11Å; F210-L214 HydrophobicContact CE2-CD2 3.49Å; F210-L214 VanDerWaalsContact CE2-CD2 3.49Å; F210-L214 HydrophobicContact CZ-CD2 3.39Å; F210-L214 HydrophobicContact CZ-CG 4.49Å; F210-L214 PolarHBondContact O-N 2.88Å; F210-G215 PolarHBondContact O-N 3.17Å; F210-T222 HydrophobicContact CD1-CG2 4.04Å; F210-T222 HydrophobicContact CE1-CG2 3.98Å; F210-H225 HydrophobicContact CZ-CB 4.34Å; F210-V226 HydrophobicContact CE1-CG2 4.17Å; F210-L307 HydrophobicContact CD2-CB 3.96Å; F210-L307 HydrophobicContact CE2-CB 3.86Å; F210-L307 HydrophobicContact CE2-CD1 4.48Å; F210-L307 HydrophobicContact CG-CB 4.5Å; F210-L307 HydrophobicContact CZ-CB 4.32Å; F210-L307 HydrophobicContact CZ-CD1 4.26Å; F210-Y355 HydrophobicContact CD2-CD2 4.19Å; F210-Y355 HydrophobicContact CD2-CG 4.41Å; F210-Y355 HydrophobicContact CE2-CD1 4.36Å; F210-Y355 AromaticContact CE2-CD2 3.92Å; F210-Y355 HydrophobicContact CE2-CD2 3.92Å; F210-Y355 HydrophobicContact CE2-CE1 4.34Å; F210-Y355 AromaticContact CE2-CE2 3.91Å; F210-Y355 HydrophobicContact CE2-CE2 3.91Å; F210-Y355 HydrophobicContact CE2-CG 4.17Å |
| 211 | F | 96.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.4 | -40.8 | 175 | 172.2 | -106.8 | 0 | 0 | 0 | 112 | D207 Y208 G215 N216 R217 T222 I262 H263 E264 | D207-F211 PolarHBondContact O-N 2.98Å; Y208-F211 HydrophobicContact CD2-CD1 4.04Å; Y208-F211 HydrophobicContact CE2-CD1 4.28Å; F211-G215 CarbonylContact O-C 3.59Å; F211-G215 WeakPolarHBondContact O-CA 3.06Å; F211-G215 PolarHBondContact O-N 2.83Å; F211-N216 PolarHBondContact O-N 3.14Å; F211-R217 HydrophobicContact CE1-CB 3.92Å; F211-R217 HydrophobicContact CE1-CG 4.29Å; F211-R217 VanDerWaalsContact CZ-CA 3.48Å; F211-R217 HydrophobicContact CZ-CB 4.18Å; F211-R217 WeakPolarHBondContact CZ-O 3.32Å; F211-R217 PolarHBondContact O-N 3.44Å; F211-T222 HydrophobicContact CD2-CG2 4.31Å; F211-T222 VanDerWaalsContact CD2-OG1 3.29Å; F211-T222 WeakPolarHBondContact CD2-OG1 3.43Å; F211-I262 HydrophobicContact CB-CG2 4.15Å; F211-I262 HydrophobicContact CD2-CG2 3.51Å; F211-I262 HydrophobicContact CE2-CG2 4.17Å; F211-I262 HydrophobicContact CG-CG2 4.04Å; F211-H263 WeakPolarHBondContact CB-O 3.14Å; F211-E264 HydrophobicContact CE1-CB 4.01Å; F211-E264 HydrophobicContact CE1-CG 4.08Å; F211-E264 HydrophobicContact CE2-CG 4.2Å; F211-E264 HydrophobicContact CZ-CB 4.26Å; F211-E264 HydrophobicContact CZ-CG 3.84Å |
| 212 | T | 93.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 25 Ų | 25 | 15% | 0.153 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.5 | -48.9 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | Y208 D209 F210 N216 R217 | Y208-T212 WeakPolarHBondContact CE2-OG1 3.09Å; Y208-T212 WeakPolarHBondContact O-CB 3.44Å; Y208-T212 PolarHBondContact O-N 3.22Å; Y208-T212 PolarHBondContact O-OG1 2.76Å; D209-T212 PolarHBondContact O-N 3.28Å; F210-T212 VanDerWaalsContact C-N 3.27Å; F210-T212 PolarHBondContact O-N 3.24Å; T212-N216 WeakPolarHBondContact O-CA 2.98Å; T212-N216 PolarHBondContact O-N 3.04Å; T212-R217 HydrophobicContact CG2-CG 4.26Å |
| 213 | N | 90.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 25.1 Ų | 25.1 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -90.2 | -48.3 | -167.5 | -64.8 | -72.6 | 0 | 0 | 0 | 113 | D209 N216 Y309 | D209-N213 WeakPolarHBondContact O-CB 3.03Å; D209-N213 PolarHBondContact O-N 3.3Å; D209-N213 PolarHBondContact O-ND2 2.04Å; N213-N216 PolarHBondContact O-OD1 2.81Å; N213-Y309 HydrophobicContact CB-CD1 3.72Å; N213-Y309 HydrophobicContact CB-CD2 3.97Å; N213-Y309 HydrophobicContact CB-CE1 3.47Å; N213-Y309 VanDerWaalsContact CB-CE1 3.47Å; N213-Y309 HydrophobicContact CB-CE2 3.72Å; N213-Y309 HydrophobicContact CB-CG 3.98Å; N213-Y309 VanDerWaalsContact CB-CZ 3.48Å; N213-Y309 VanDerWaalsContact CG-CE1 3.5Å; N213-Y309 WeakPolarHBondContact ND2-CD1 3.42Å |
| 214 | L | 90.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -41.3 | 177.6 | -166.4 | 70.4 | 0 | 0 | 0 | 110.9 | F210 N216 K221 H225 Y355 | F210-L214 HydrophobicContact CD2-CD2 4.31Å; F210-L214 HydrophobicContact CE1-CD2 4.11Å; F210-L214 HydrophobicContact CE2-CD2 3.49Å; F210-L214 VanDerWaalsContact CE2-CD2 3.49Å; F210-L214 HydrophobicContact CZ-CD2 3.39Å; F210-L214 HydrophobicContact CZ-CG 4.49Å; F210-L214 PolarHBondContact O-N 2.88Å; L214-N216 VanDerWaalsContact C-N 3.29Å; L214-N216 PolarHBondContact O-N 3.28Å; L214-K221 WeakPolarHBondContact O-CE 2.94Å; L214-H225 HydrophobicContact CD2-CB 4.1Å; L214-Y355 HydrophobicContact CD2-CD1 4.07Å; L214-Y355 HydrophobicContact CD2-CE1 4.04Å |
| 215 | G | 89 | Confident | 91.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -74.3 | -12.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F210 F211 R217 N218 T222 | F210-G215 PolarHBondContact O-N 3.17Å; F211-G215 CarbonylContact O-C 3.59Å; F211-G215 WeakPolarHBondContact O-CA 3.06Å; F211-G215 PolarHBondContact O-N 2.83Å; G215-R217 PolarHBondContact O-N 3.42Å; G215-N218 VanDerWaalsContact O-CB 3.3Å; G215-N218 WeakPolarHBondContact O-CB 3.3Å; G215-N218 PolarHBondContact O-N 3.42Å; G215-T222 VanDerWaalsContact CA-OG1 3.29Å; G215-T222 WeakPolarHBondContact CA-OG1 3.44Å |
| 216 | N | 87.6 | Confident | 91.6 | Very high | 46 Ų | 46 | 25.7 Ų | 25.7 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.2 | -173 | -65.7 | -14.1 | 0 | 0 | 0 | 113.7 | I143 F211 T212 N213 L214 N218 K221 | I143-N216 WeakPolarHBondContact CD1-OD1 3.34Å; F211-N216 PolarHBondContact O-N 3.14Å; T212-N216 WeakPolarHBondContact O-CA 2.98Å; T212-N216 PolarHBondContact O-N 3.04Å; N213-N216 PolarHBondContact O-OD1 2.81Å; L214-N216 VanDerWaalsContact C-N 3.29Å; L214-N216 PolarHBondContact O-N 3.28Å; N216-N218 PolarHBondContact O-N 3.14Å; N216-N218 VanDerWaalsContact O-N 3.14Å; N216-K221 HydrophobicContact CB-CD 4.36Å; N216-K221 PolarHBondContact ND2-NZ 2.88Å |
| 217 | R | 88.8 | Confident | 91.2 | Very high | 138 Ų | 138 | 25.9 Ų | 25.9 | 52% | 0.521 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 27.4 | -174.3 | -54.5 | 171.9 | 173.7 | -81 | -9.9 | 113.4 | Y208 F211 T212 G215 | Y208-R217 PolarHBondContact OH-NH1 3.28Å; Y208-R217 PolarHBondContact OH-NH2 2.98Å; F211-R217 HydrophobicContact CE1-CB 3.92Å; F211-R217 HydrophobicContact CE1-CG 4.29Å; F211-R217 VanDerWaalsContact CZ-CA 3.48Å; F211-R217 HydrophobicContact CZ-CB 4.18Å; F211-R217 WeakPolarHBondContact CZ-O 3.32Å; F211-R217 PolarHBondContact O-N 3.44Å; T212-R217 HydrophobicContact CG2-CG 4.26Å; G215-R217 PolarHBondContact O-N 3.42Å |
| 218 | N | 87.5 | Confident | 90.9 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 41% | 0.406 | 13% | 0.133 | S | C | . | . | trans | -115.2 | 111.6 | -179.3 | -176.9 | -58.2 | 0 | 0 | 0 | 108.6 | G215 N216 P220 K221 T222 | G215-N218 VanDerWaalsContact O-CB 3.3Å; G215-N218 WeakPolarHBondContact O-CB 3.3Å; G215-N218 PolarHBondContact O-N 3.42Å; N216-N218 PolarHBondContact O-N 3.14Å; N216-N218 VanDerWaalsContact O-N 3.14Å; N218-P220 WeakPolarHBondContact OD1-CB 3.22Å; N218-P220 WeakPolarHBondContact OD1-CD 3.45Å; N218-K221 HydrophobicContact CB-CB 3.84Å; N218-K221 PolarHBondContact O-N 2.86Å; N218-K221 PolarHBondContact OD1-N 2.82Å; N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 PolarHBondContact O-N 3.47Å; N218-T222 PolarHBondContact O-OG1 2.8Å | ||
| 219 | G | 87.6 | Confident | 90.7 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54 | -55 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | K221 T222 I223 | G219-K221 PolarHBondContact O-N 3.32Å; G219-T222 WeakPolarHBondContact O-CB 3.25Å; G219-T222 PolarHBondContact O-N 2.9Å; G219-I223 WeakPolarHBondContact O-CG1 3.31Å; G219-I223 PolarHBondContact O-N 3.31Å |
| 220 | P | 86 | Confident | 90.6 | Very high | 75 Ų | 75 | 23 Ų | 23 | 49% | 0.487 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -52.7 | -44.5 | 174.5 | -31.6 | 36.7 | 0 | 0 | 0 | 115.2 | Y93 N218 I223 G224 | Y93-P220 HydrophobicContact CD1-CB 4.4Å; Y93-P220 WeakPolarHBondContact CD1-O 3.22Å; Y93-P220 HydrophobicContact CE1-CB 3.83Å; N218-P220 WeakPolarHBondContact OD1-CB 3.22Å; N218-P220 WeakPolarHBondContact OD1-CD 3.45Å; P220-I223 PolarHBondContact O-N 2.69Å; P220-G224 PolarHBondContact O-N 3.46Å |
| 221 | K | 84.2 | Confident | 90.2 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 20% | 0.204 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 177.5 | -174.2 | 176.8 | 175.3 | -179.1 | 0 | 110.8 | S137 L214 N216 N218 G219 I223 G224 H225 | S137-K221 PolarHBondContact O-NZ 2.73Å; S137-K221 VanDerWaalsContact O-NZ 3.08Å; L214-K221 WeakPolarHBondContact O-CE 2.94Å; N216-K221 HydrophobicContact CB-CD 4.36Å; N216-K221 PolarHBondContact ND2-NZ 2.88Å; N218-K221 HydrophobicContact CB-CB 3.84Å; N218-K221 PolarHBondContact O-N 2.86Å; N218-K221 PolarHBondContact OD1-N 2.82Å; G219-K221 PolarHBondContact O-N 3.32Å; K221-I223 PolarHBondContact O-N 3.06Å; K221-G224 WeakPolarHBondContact O-CA 3.44Å; K221-G224 PolarHBondContact O-N 3.1Å; K221-G224 VanDerWaalsContact O-N 3.11Å; K221-H225 VanDerWaalsContact CE-NE2 3.28Å; K221-H225 WeakPolarHBondContact CE-NE2 3.43Å; K221-H225 PolarHBondContact O-CD2 3.31Å; K221-H225 VanDerWaalsContact O-CD2 3.22Å; K221-H225 PolarHBondContact O-N 3.05Å |
| 222 | T | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 176.3 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | A206 F210 F211 G215 N218 G219 G224 H225 V226 I262 | A206-T222 HydrophobicContact CB-CG2 4.02Å; F210-T222 HydrophobicContact CD1-CG2 4.04Å; F210-T222 HydrophobicContact CE1-CG2 3.98Å; F211-T222 HydrophobicContact CD2-CG2 4.31Å; F211-T222 VanDerWaalsContact CD2-OG1 3.29Å; F211-T222 WeakPolarHBondContact CD2-OG1 3.43Å; G215-T222 VanDerWaalsContact CA-OG1 3.29Å; G215-T222 WeakPolarHBondContact CA-OG1 3.44Å; N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 PolarHBondContact O-N 3.47Å; N218-T222 PolarHBondContact O-OG1 2.8Å; G219-T222 WeakPolarHBondContact O-CB 3.25Å; G219-T222 PolarHBondContact O-N 2.9Å; T222-G224 VanDerWaalsContact C-N 3.27Å; T222-G224 PolarHBondContact O-N 2.81Å; T222-H225 PolarHBondContact O-N 3.17Å; T222-V226 WeakPolarHBondContact O-CG2 3.1Å; T222-V226 PolarHBondContact O-N 2.76Å; T222-I262 HydrophobicContact CG2-CD1 3.81Å; T222-I262 HydrophobicContact CG2-CG1 4.16Å; T222-I262 HydrophobicContact CG2-CG2 4.12Å |
| 223 | I | 90 | Very high | 89.7 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.8 | -64.8 | 164.4 | 0 | 0 | 0 | 110.5 | V76 F78 F87 Y93 G219 P220 K221 H225 V226 I227 I260 I262 | V76-I223 HydrophobicContact CB-CD1 4.4Å; V76-I223 HydrophobicContact CG1-CD1 3.94Å; V76-I223 HydrophobicContact CG1-CG1 3.96Å; V76-I223 HydrophobicContact CG2-CD1 4.1Å; V76-I223 HydrophobicContact CG2-CG1 4.31Å; F78-I223 HydrophobicContact CE2-CD1 4.36Å; F78-I223 HydrophobicContact CZ-CD1 3.91Å; F78-I223 HydrophobicContact CZ-CG1 4.42Å; F87-I223 HydrophobicContact CD1-CD1 4.42Å; Y93-I223 HydrophobicContact CD1-CB 4.19Å; Y93-I223 HydrophobicContact CD1-CG2 4.11Å; Y93-I223 HydrophobicContact CD2-CB 4.4Å; Y93-I223 HydrophobicContact CD2-CG2 3.46Å; Y93-I223 VanDerWaalsContact CD2-CG2 3.46Å; Y93-I223 HydrophobicContact CE1-CB 4.1Å; Y93-I223 HydrophobicContact CE1-CD1 4.1Å; Y93-I223 HydrophobicContact CE1-CG2 4.15Å; Y93-I223 HydrophobicContact CE2-CB 4.27Å; Y93-I223 HydrophobicContact CE2-CD1 4.23Å; Y93-I223 HydrophobicContact CE2-CG2 3.47Å; Y93-I223 VanDerWaalsContact CE2-CG2 3.47Å; Y93-I223 HydrophobicContact CG-CB 4.35Å; Y93-I223 HydrophobicContact CG-CG2 3.78Å; Y93-I223 WeakPolarHBondContact OH-CD1 3.16Å; G219-I223 WeakPolarHBondContact O-CG1 3.31Å; G219-I223 PolarHBondContact O-N 3.31Å; P220-I223 PolarHBondContact O-N 2.69Å; K221-I223 PolarHBondContact O-N 3.06Å; I223-H225 PolarHBondContact O-N 3.49Å; I223-V226 PolarHBondContact O-N 2.02Å; I223-I227 HydrophobicContact CG2-CD1 3.7Å; I223-I227 HydrophobicContact CG2-CG1 4.31Å; I223-I227 WeakPolarHBondContact O-CB 3Å; I223-I227 WeakPolarHBondContact O-CG1 3.37Å; I223-I227 PolarHBondContact O-N 3.46Å; I223-I260 HydrophobicContact CG2-CD1 4Å; I223-I262 HydrophobicContact CG1-CD1 3.62Å |
| 224 | G | 88 | Confident | 89.7 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 6% | 0.062 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.6 | -48.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P220 K221 T222 I227 K228 | P220-G224 PolarHBondContact O-N 3.46Å; K221-G224 WeakPolarHBondContact O-CA 3.44Å; K221-G224 PolarHBondContact O-N 3.1Å; K221-G224 VanDerWaalsContact O-N 3.11Å; T222-G224 VanDerWaalsContact C-N 3.27Å; T222-G224 PolarHBondContact O-N 2.81Å; G224-I227 PolarHBondContact O-N 2.79Å; G224-K228 VanDerWaalsContact O-CG 3.29Å; G224-K228 WeakPolarHBondContact O-CG 3.47Å; G224-K228 PolarHBondContact O-N 3.06Å |
| 225 | H | 91.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 175.7 | -76.8 | -78 | 0 | 0 | 0 | 112.6 | D138 F210 L214 K221 T222 I223 I227 K228 V229 | D138-H225 IonicContact OD1-CE1 3.82Å; D138-H225 IonicContact OD1-NE2 3.02Å; D138-H225 IonicContact OD2-CE1 2.77Å; D138-H225 PolarHBondContact OD2-CE1 2.87Å; D138-H225 VanDerWaalsContact OD2-CE1 3.31Å; F210-H225 HydrophobicContact CZ-CB 4.34Å; L214-H225 HydrophobicContact CD2-CB 4.1Å; K221-H225 VanDerWaalsContact CE-NE2 3.28Å; K221-H225 WeakPolarHBondContact CE-NE2 3.43Å; K221-H225 PolarHBondContact O-CD2 3.31Å; K221-H225 VanDerWaalsContact O-CD2 3.22Å; K221-H225 PolarHBondContact O-N 3.05Å; T222-H225 PolarHBondContact O-N 3.17Å; I223-H225 PolarHBondContact O-N 3.49Å; H225-I227 VanDerWaalsContact C-N 3.32Å; H225-I227 PolarHBondContact O-N 3.22Å; H225-K228 PolarHBondContact O-N 3.22Å; H225-V229 VanDerWaalsContact O-CG2 3.32Å; H225-V229 WeakPolarHBondContact O-CG2 3.25Å; H225-V229 PolarHBondContact O-N 3.19Å |
| 226 | V | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L204 A206 F210 T222 I223 F230 I260 L307 | L204-V226 HydrophobicContact CB-CG1 3.64Å; L204-V226 HydrophobicContact CD1-CG1 3.62Å; L204-V226 HydrophobicContact CG-CG1 4.28Å; A206-V226 HydrophobicContact CB-CG2 4.48Å; F210-V226 HydrophobicContact CE1-CG2 4.17Å; T222-V226 WeakPolarHBondContact O-CG2 3.1Å; T222-V226 PolarHBondContact O-N 2.76Å; I223-V226 PolarHBondContact O-N 2.02Å; V226-F230 WeakPolarHBondContact O-CB 3.48Å; V226-F230 PolarHBondContact O-N 2.92Å; V226-I260 HydrophobicContact CB-CD1 4.26Å; V226-I260 HydrophobicContact CB-CG2 4.35Å; V226-I260 HydrophobicContact CG1-CD1 3.87Å; V226-I260 HydrophobicContact CG1-CG1 3.88Å; V226-I260 HydrophobicContact CG1-CG2 3.98Å; V226-I260 HydrophobicContact CG2-CG2 4.28Å; V226-L307 HydrophobicContact CG1-CD1 4.4Å; V226-L307 HydrophobicContact CG2-CD1 4.07Å |
| 227 | I | 90.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.3 | -74.1 | 172.9 | 0 | 0 | 0 | 111.6 | H70 Y93 I223 G224 H225 V229 F230 D231 L257 I260 | H70-I227 VanDerWaalsContact CE1-CG2 3.48Å; H70-I227 WeakPolarHBondContact CE1-CG2 3.35Å; Y93-I227 HydrophobicContact CD2-CD1 3.84Å; Y93-I227 HydrophobicContact CG-CD1 4.34Å; I223-I227 HydrophobicContact CG2-CD1 3.7Å; I223-I227 HydrophobicContact CG2-CG1 4.31Å; I223-I227 WeakPolarHBondContact O-CB 3Å; I223-I227 WeakPolarHBondContact O-CG1 3.37Å; I223-I227 PolarHBondContact O-N 3.46Å; G224-I227 PolarHBondContact O-N 2.79Å; H225-I227 VanDerWaalsContact C-N 3.32Å; H225-I227 PolarHBondContact O-N 3.22Å; I227-V229 VanDerWaalsContact C-N 3.34Å; I227-V229 PolarHBondContact O-N 2.03Å; I227-F230 PolarHBondContact O-N 3.33Å; I227-D231 PolarHBondContact O-N 2.93Å; I227-L257 HydrophobicContact CG1-CD2 4.14Å; I227-I260 HydrophobicContact CG1-CD1 4.17Å |
| 228 | K | 90.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 177.6 | -74.2 | -175.6 | -69.1 | -172.1 | 0 | 111 | A94 H112 E114 D138 G224 H225 D231 R232 | A94-K228 HydrophobicContact CB-CG 4.11Å; H112-K228 HydrophobicContact CB-CD 4.03Å; H112-K228 HydrophobicContact CB-CG 3.9Å; H112-K228 PolarHBondContact CE1-O 2.04Å; E114-K228 IonicContact OE1-NZ 3.86Å; D138-K228 IonicContact OD2-NZ 2.95Å; G224-K228 VanDerWaalsContact O-CG 3.29Å; G224-K228 WeakPolarHBondContact O-CG 3.47Å; G224-K228 PolarHBondContact O-N 3.06Å; H225-K228 PolarHBondContact O-N 3.22Å; K228-D231 PolarHBondContact O-N 3.05Å; K228-R232 WeakPolarHBondContact O-CG 3.06Å; K228-R232 PolarHBondContact O-N 2.73Å |
| 229 | V | 93.7 | Very high | 87.6 | Confident | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | H225 I227 D231 R232 L233 Y355 E369 | H225-V229 VanDerWaalsContact O-CG2 3.32Å; H225-V229 WeakPolarHBondContact O-CG2 3.25Å; H225-V229 PolarHBondContact O-N 3.19Å; I227-V229 VanDerWaalsContact C-N 3.34Å; I227-V229 PolarHBondContact O-N 2.03Å; V229-D231 PolarHBondContact O-N 3.03Å; V229-R232 PolarHBondContact O-N 2.76Å; V229-L233 HydrophobicContact CG1-CD1 3.55Å; V229-L233 HydrophobicContact CG1-CG 4.23Å; V229-L233 WeakPolarHBondContact O-CB 3.28Å; V229-L233 WeakPolarHBondContact O-CG 2.98Å; V229-L233 PolarHBondContact O-N 3.25Å; V229-Y355 WeakPolarHBondContact CG2-OH 3.28Å; V229-E369 HydrophobicContact CG1-CG 4.38Å; V229-E369 HydrophobicContact CG2-CG 4.03Å |
| 230 | F | 94.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.6 | -51.1 | 176.9 | 169.5 | -97.9 | 0 | 0 | 0 | 112.5 | F69 H70 L202 L204 V226 I227 R232 L233 N234 F255 L257 | F69-F230 HydrophobicContact CB-CE1 4.47Å; F69-F230 HydrophobicContact CB-CZ 4.49Å; F69-F230 WeakPolarHBondContact O-CZ 3.32Å; H70-F230 AromaticContact CD2-CD1 3.84Å; H70-F230 AromaticContact CD2-CE1 3.7Å; H70-F230 AromaticContact NE2-CD1 3.84Å; L202-F230 HydrophobicContact CD2-CD2 4.07Å; L202-F230 HydrophobicContact CD2-CE2 4.3Å; L204-F230 HydrophobicContact CD1-CB 3.82Å; L204-F230 HydrophobicContact CD1-CD2 4.39Å; V226-F230 WeakPolarHBondContact O-CB 3.48Å; V226-F230 PolarHBondContact O-N 2.92Å; I227-F230 PolarHBondContact O-N 3.33Å; F230-R232 VanDerWaalsContact C-N 3.34Å; F230-R232 PolarHBondContact O-N 2.93Å; F230-L233 PolarHBondContact O-N 3.2Å; F230-N234 HydrophobicContact CE1-CB 4.32Å; F230-N234 HydrophobicContact CE2-CB 4.3Å; F230-N234 HydrophobicContact CZ-CB 4.07Å; F230-N234 VanDerWaalsContact O-CB 3.22Å; F230-N234 WeakPolarHBondContact O-CB 3.08Å; F230-N234 PolarHBondContact O-N 2.77Å; F230-F255 HydrophobicContact CE2-CB 3.72Å; F230-F255 HydrophobicContact CZ-CB 4.3Å; F230-L257 HydrophobicContact CB-CD1 4.5Å; F230-L257 HydrophobicContact CB-CD2 4.35Å; F230-L257 HydrophobicContact CD1-CB 3.96Å; F230-L257 HydrophobicContact CD1-CD2 4.05Å; F230-L257 HydrophobicContact CD1-CG 4.49Å; F230-L257 HydrophobicContact CD2-CB 3.85Å; F230-L257 HydrophobicContact CD2-CD1 3.87Å; F230-L257 HydrophobicContact CD2-CG 4.28Å; F230-L257 HydrophobicContact CE1-CB 3.74Å; F230-L257 HydrophobicContact CE2-CB 3.61Å; F230-L257 HydrophobicContact CE2-CD1 4.36Å; F230-L257 HydrophobicContact CG-CB 4.03Å; F230-L257 HydrophobicContact CG-CD1 4.13Å; F230-L257 HydrophobicContact CG-CD2 4.03Å; F230-L257 HydrophobicContact CG-CG 4.28Å; F230-L257 HydrophobicContact CZ-CB 3.57Å; F230-L257 VanDerWaalsContact CZ-N 3.35Å |
| 231 | D | 88.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | -175.6 | -72.6 | -20.2 | 0 | 0 | 0 | 111.5 | S68 H70 L96 H112 I227 K228 V229 Y235 | S68-D231 PolarHBondContact OG-OD2 2.82Å; H70-D231 IonicContact CD2-OD1 3.3Å; H70-D231 IonicContact NE2-OD1 3.86Å; H70-D231 PolarHBondContact NE2-OD1 3.16Å; H70-D231 VanDerWaalsContact NE2-OD1 3.14Å; L96-D231 HydrophobicContact CD1-CB 4.03Å; L96-D231 HydrophobicContact CD2-CB 4.18Å; H112-D231 IonicContact CD2-OD2 3.71Å; H112-D231 VanDerWaalsContact NE2-CB 3.32Å; H112-D231 WeakPolarHBondContact NE2-CB 3.27Å; H112-D231 IonicContact NE2-OD2 2.8Å; H112-D231 PolarHBondContact NE2-OD2 2.97Å; I227-D231 PolarHBondContact O-N 2.93Å; K228-D231 PolarHBondContact O-N 3.05Å; V229-D231 PolarHBondContact O-N 3.03Å; D231-Y235 VanDerWaalsContact O-CB 3.3Å; D231-Y235 WeakPolarHBondContact O-CB 3.39Å; D231-Y235 PolarHBondContact O-N 2.65Å |
| 232 | R | 87.8 | Confident | 87 | Confident | 19 Ų | 19 | 18.4 Ų | 18.4 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 177.5 | -70.8 | 175.6 | -178 | -173.8 | -11.3 | 111.9 | L110 S121 H123 K228 V229 F230 L236 E369 | L110-R232 HydrophobicContact CD2-CG 4.11Å; S121-R232 VanDerWaalsContact CB-NH2 3.34Å; H123-R232 PolarHBondContact NE2-NH1 3.43Å; K228-R232 WeakPolarHBondContact O-CG 3.06Å; K228-R232 PolarHBondContact O-N 2.73Å; V229-R232 PolarHBondContact O-N 2.76Å; F230-R232 VanDerWaalsContact C-N 3.34Å; F230-R232 PolarHBondContact O-N 2.93Å; R232-L236 PolarHBondContact O-N 3.29Å; R232-E369 VanDerWaalsContact CD-CD 3.44Å; R232-E369 WeakPolarHBondContact CD-OE1 2.89Å; R232-E369 WeakPolarHBondContact CD-OE2 3.24Å; R232-E369 IonicContact CZ-OE1 3.31Å; R232-E369 IonicContact CZ-OE2 2.91Å; R232-E369 IonicContact NE-OE1 3.78Å; R232-E369 IonicContact NE-OE2 3.2Å; R232-E369 IonicContact NH1-OE1 3.6Å; R232-E369 PolarHBondContact NH1-OE1 3.01Å; R232-E369 IonicContact NH1-OE2 2.66Å; R232-E369 PolarHBondContact NH1-OE2 3.42Å |
| 233 | L | 92.2 | Very high | 86.7 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 176 | -64.5 | 171.7 | 0 | 0 | 0 | 110.3 | V229 F230 Y235 L236 F237 E369 T372 A373 L376 | V229-L233 HydrophobicContact CG1-CD1 3.55Å; V229-L233 HydrophobicContact CG1-CG 4.23Å; V229-L233 WeakPolarHBondContact O-CB 3.28Å; V229-L233 WeakPolarHBondContact O-CG 2.98Å; V229-L233 PolarHBondContact O-N 3.25Å; F230-L233 PolarHBondContact O-N 3.2Å; L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 2.7Å; L233-L236 WeakPolarHBondContact O-CB 3.29Å; L233-L236 PolarHBondContact O-N 3.44Å; L233-L236 VanDerWaalsContact O-N 3.13Å; L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.21Å; L233-F237 PolarHBondContact O-N 2.91Å; L233-E369 WeakPolarHBondContact CD2-O 3.23Å; L233-T372 HydrophobicContact CD1-CG2 3.41Å; L233-T372 VanDerWaalsContact CD1-CG2 3.41Å; L233-T372 HydrophobicContact CD2-CG2 4.29Å; L233-T372 HydrophobicContact CG-CG2 4.5Å; L233-A373 HydrophobicContact CD2-CB 3.55Å; L233-L376 HydrophobicContact CB-CD1 4.19Å; L233-L376 HydrophobicContact CD1-CD1 3.82Å; L233-L376 HydrophobicContact CD2-CD1 4.43Å; L233-L376 HydrophobicContact CG-CD1 4.38Å |
| 234 | N | 89.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | -177.2 | -165.7 | 27.6 | 0 | 0 | 0 | 112.5 | F69 F230 L236 F237 L238 F255 | F69-N234 WeakPolarHBondContact CB-ND2 3.39Å; F230-N234 HydrophobicContact CE1-CB 4.32Å; F230-N234 HydrophobicContact CE2-CB 4.3Å; F230-N234 HydrophobicContact CZ-CB 4.07Å; F230-N234 VanDerWaalsContact O-CB 3.22Å; F230-N234 WeakPolarHBondContact O-CB 3.08Å; F230-N234 PolarHBondContact O-N 2.77Å; N234-L236 VanDerWaalsContact C-N 3.29Å; N234-L236 PolarHBondContact O-N 3.16Å; N234-F237 PolarHBondContact O-N 2.87Å; N234-F237 VanDerWaalsContact O-N 3.16Å; N234-L238 WeakPolarHBondContact O-CB 3.34Å; N234-L238 WeakPolarHBondContact O-CG 3.45Å; N234-L238 PolarHBondContact O-N 2.78Å; N234-F255 PolarHBondContact ND2-O 2.85Å; N234-F255 PolarHBondContact OD1-N 3.31Å; N234-F255 PolarHBondContact OD1-O 3.01Å |
| 235 | Y | 79.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 26.8 Ų | 26.8 | 30% | 0.298 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 174.6 | -178.1 | -93.4 | 0 | 0 | 0 | 112.1 | F108 L110 D231 L233 F237 T239 | F108-Y235 AromaticContact CE1-CE1 3.75Å; F108-Y235 HydrophobicContact CE1-CE1 3.75Å; F108-Y235 HydrophobicContact CE1-CE2 4.44Å; F108-Y235 AromaticContact CE1-CZ 3.6Å; F108-Y235 WeakPolarHBondContact CE1-OH 2.95Å; F108-Y235 WeakPolarHBondContact CE2-OH 3.39Å; F108-Y235 AromaticContact CZ-CE1 3.95Å; F108-Y235 HydrophobicContact CZ-CE1 3.95Å; F108-Y235 AromaticContact CZ-CE2 3.81Å; F108-Y235 HydrophobicContact CZ-CE2 3.81Å; F108-Y235 AromaticContact CZ-CZ 3.3Å; F108-Y235 WeakPolarHBondContact CZ-OH 3.2Å; L110-Y235 HydrophobicContact CD1-CD2 4.1Å; L110-Y235 HydrophobicContact CD1-CG 4.23Å; L110-Y235 HydrophobicContact CD2-CD1 4.02Å; L110-Y235 HydrophobicContact CD2-CG 3.97Å; D231-Y235 VanDerWaalsContact O-CB 3.3Å; D231-Y235 WeakPolarHBondContact O-CB 3.39Å; D231-Y235 PolarHBondContact O-N 2.65Å; L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 2.7Å; Y235-F237 PolarHBondContact O-N 2.79Å; Y235-T239 HydrophobicContact CD1-CG2 4.46Å; Y235-T239 HydrophobicContact CD2-CG2 4.28Å; Y235-T239 HydrophobicContact CE1-CG2 4.04Å; Y235-T239 HydrophobicContact CE2-CG2 3.84Å; Y235-T239 WeakPolarHBondContact O-CB 3.5Å; Y235-T239 WeakPolarHBondContact O-CG2 3.47Å; Y235-T239 PolarHBondContact O-N 2.76Å; Y235-T239 VanDerWaalsContact O-N 3.11Å; Y235-T239 PolarHBondContact O-OG1 2.99Å |
| 236 | L | 83.1 | Confident | 85.3 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 175.6 | 171.1 | 63.4 | 0 | 0 | 0 | 111.8 | R232 L233 N234 T239 S240 A373 L402 G416 F418 | R232-L236 PolarHBondContact O-N 3.29Å; L233-L236 WeakPolarHBondContact O-CB 3.29Å; L233-L236 PolarHBondContact O-N 3.44Å; L233-L236 VanDerWaalsContact O-N 3.13Å; N234-L236 VanDerWaalsContact C-N 3.29Å; N234-L236 PolarHBondContact O-N 3.16Å; L236-T239 PolarHBondContact O-OG1 3.01Å; L236-S240 WeakPolarHBondContact O-CB 3.41Å; L236-S240 PolarHBondContact O-N 3.04Å; L236-S240 VanDerWaalsContact O-N 3.14Å; L236-S240 PolarHBondContact O-OG 2.69Å; L236-A373 HydrophobicContact CD2-CB 3.89Å; L236-L402 HydrophobicContact CD2-CD2 3.59Å; L236-G416 WeakPolarHBondContact CD1-O 3.41Å; L236-F418 HydrophobicContact CD2-CE2 4.12Å; L236-F418 HydrophobicContact CD2-CZ 4.47Å; L236-F418 HydrophobicContact CG-CE2 4.11Å |
| 237 | F | 86.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.3 | -45.9 | -177.6 | -76.8 | -106 | 0 | 0 | 0 | 111.5 | L233 N234 Y235 T239 S240 F242 Y253 F255 L376 W380 F418 | L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.21Å; L233-F237 PolarHBondContact O-N 2.91Å; N234-F237 PolarHBondContact O-N 2.87Å; N234-F237 VanDerWaalsContact O-N 3.16Å; Y235-F237 PolarHBondContact O-N 2.79Å; F237-T239 VanDerWaalsContact C-N 3.27Å; F237-T239 PolarHBondContact O-N 3.13Å; F237-S240 WeakPolarHBondContact O-CB 3.23Å; F237-S240 PolarHBondContact O-N 2.9Å; F237-S240 VanDerWaalsContact O-N 3.12Å; F237-F242 HydrophobicContact CD1-CZ 4.11Å; F237-Y253 CarbonylContact C-O 3.27Å; F237-F255 HydrophobicContact CB-CD2 4.45Å; F237-F255 HydrophobicContact CB-CE2 4.31Å; F237-F255 AromaticContact CD1-CE2 3.81Å; F237-F255 HydrophobicContact CD1-CE2 3.81Å; F237-F255 HydrophobicContact CD1-CZ 4.27Å; F237-F255 HydrophobicContact CD2-CD2 4.33Å; F237-F255 AromaticContact CD2-CE2 3.62Å; F237-F255 HydrophobicContact CD2-CE2 3.62Å; F237-F255 AromaticContact CE1-CE2 3.97Å; F237-F255 HydrophobicContact CE1-CE2 3.97Å; F237-F255 HydrophobicContact CE1-CZ 4.1Å; F237-F255 AromaticContact CE2-CE2 3.77Å; F237-F255 HydrophobicContact CE2-CE2 3.77Å; F237-F255 HydrophobicContact CE2-CZ 4.42Å; F237-F255 HydrophobicContact CG-CD2 4.24Å; F237-F255 AromaticContact CG-CE2 3.63Å; F237-F255 HydrophobicContact CG-CE2 3.63Å; F237-F255 AromaticContact CZ-CE2 3.94Å; F237-F255 HydrophobicContact CZ-CE2 3.94Å; F237-F255 HydrophobicContact CZ-CZ 4.17Å; F237-L376 HydrophobicContact CE2-CB 3.99Å; F237-L376 HydrophobicContact CE2-CD1 4.39Å; F237-L376 HydrophobicContact CZ-CB 3.57Å; F237-W380 AromaticContact CD1-CD2 3.71Å; F237-W380 HydrophobicContact CD1-CD2 3.71Å; F237-W380 AromaticContact CD1-CE2 3.71Å; F237-W380 AromaticContact CD1-CE3 3.73Å; F237-W380 HydrophobicContact CD1-CE3 3.73Å; F237-W380 HydrophobicContact CD1-CG 4.37Å; F237-W380 AromaticContact CD1-CH2 3.83Å; F237-W380 HydrophobicContact CD1-CH2 3.83Å; F237-W380 AromaticContact CD1-CZ2 3.8Å; F237-W380 HydrophobicContact CD1-CZ2 3.8Å; F237-W380 AromaticContact CD1-CZ3 3.78Å; F237-W380 HydrophobicContact CD1-CZ3 3.78Å; F237-W380 HydrophobicContact CE1-CB 4.36Å; F237-W380 AromaticContact CE1-CD1 3.91Å; F237-W380 AromaticContact CE1-CD2 3.53Å; F237-W380 HydrophobicContact CE1-CD2 3.53Å; F237-W380 AromaticContact CE1-CE2 3.7Å; F237-W380 AromaticContact CE1-CE3 3.93Å; F237-W380 HydrophobicContact CE1-CE3 3.93Å; F237-W380 AromaticContact CE1-CG 3.7Å; F237-W380 HydrophobicContact CE1-CG 3.7Å; F237-W380 HydrophobicContact CE1-CZ2 4.26Å; F237-W380 HydrophobicContact CE1-CZ3 4.43Å; F237-W380 AromaticContact CE1-NE1 3.93Å; F237-F418 HydrophobicContact CD1-CE2 4.42Å; F237-F418 HydrophobicContact CD2-CE2 4.48Å; F237-F418 HydrophobicContact CE1-CE2 4.17Å; F237-F418 AromaticContact CE1-CZ 3.98Å; F237-F418 HydrophobicContact CE1-CZ 3.98Å; F237-F418 HydrophobicContact CE2-CE2 4.27Å; F237-F418 HydrophobicContact CE2-CZ 4.11Å; F237-F418 HydrophobicContact CZ-CE2 4.11Å; F237-F418 AromaticContact CZ-CZ 3.68Å; F237-F418 HydrophobicContact CZ-CZ 3.68Å |
| 238 | L | 79.5 | Confident | 84 | Confident | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -34.4 | 180 | -72.8 | 170.7 | 0 | 0 | 0 | 113.4 | F69 L199 N234 Y253 | F69-L238 HydrophobicContact CD2-CD1 3.74Å; F69-L238 HydrophobicContact CE2-CD1 3.57Å; F69-L238 HydrophobicContact CG-CD1 4.31Å; F69-L238 HydrophobicContact CZ-CD1 3.99Å; L199-L238 HydrophobicContact CD2-CD2 4.26Å; N234-L238 WeakPolarHBondContact O-CB 3.34Å; N234-L238 WeakPolarHBondContact O-CG 3.45Å; N234-L238 PolarHBondContact O-N 2.78Å; L238-Y253 WeakPolarHBondContact CA-O 3.22Å; L238-Y253 PolarHBondContact N-O 3.21Å |
| 239 | T | 70.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 47% | 0.466 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -89.7 | -7.9 | 179.8 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | Y235 L236 F237 | Y235-T239 HydrophobicContact CD1-CG2 4.46Å; Y235-T239 HydrophobicContact CD2-CG2 4.28Å; Y235-T239 HydrophobicContact CE1-CG2 4.04Å; Y235-T239 HydrophobicContact CE2-CG2 3.84Å; Y235-T239 WeakPolarHBondContact O-CB 3.5Å; Y235-T239 WeakPolarHBondContact O-CG2 3.47Å; Y235-T239 PolarHBondContact O-N 2.76Å; Y235-T239 VanDerWaalsContact O-N 3.11Å; Y235-T239 PolarHBondContact O-OG1 2.99Å; L236-T239 PolarHBondContact O-OG1 3.01Å; F237-T239 VanDerWaalsContact C-N 3.27Å; F237-T239 PolarHBondContact O-N 3.13Å |
| 240 | S | 78.9 | Confident | 82.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | trans | -74.3 | 137.2 | 175.3 | -68.9 | 0 | 0 | 0 | 0 | 111 | L236 F237 F242 F418 | L236-S240 WeakPolarHBondContact O-CB 3.41Å; L236-S240 PolarHBondContact O-N 3.04Å; L236-S240 VanDerWaalsContact O-N 3.14Å; L236-S240 PolarHBondContact O-OG 2.69Å; F237-S240 WeakPolarHBondContact O-CB 3.23Å; F237-S240 PolarHBondContact O-N 2.9Å; F237-S240 VanDerWaalsContact O-N 3.12Å; S240-F242 PolarHBondContact O-N 3.2Å; S240-F418 WeakPolarHBondContact OG-CD2 3.24Å | ||
| 241 | K | 79.2 | Confident | 81.8 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 27% | 0.267 | S | S | . | . | trans | -98.6 | 81.6 | 177.2 | -66.7 | 170.4 | 160.8 | -125.1 | 0 | 108.9 | E249 I251 | K241-E249 VanDerWaalsContact NZ-CD 3.3Å; K241-E249 IonicContact NZ-OE1 3.64Å; K241-E249 PolarHBondContact NZ-OE1 3.11Å; K241-E249 IonicContact NZ-OE2 3.72Å; K241-E249 PolarHBondContact NZ-OE2 3.26Å; K241-I251 HydrophobicContact CB-CG2 4.42Å; K241-I251 HydrophobicContact CG-CG2 3.92Å | ||
| 242 | F | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 159.8 | 177.9 | -56.3 | -69.7 | 0 | 0 | 0 | 110.3 | F237 S240 M250 W380 F418 L423 I426 L430 | F237-F242 HydrophobicContact CD1-CZ 4.11Å; S240-F242 PolarHBondContact O-N 3.2Å; F242-M250 HydrophobicContact CB-CB 4.14Å; F242-M250 PolarHBondContact N-O 2.98Å; F242-M250 PolarHBondContact O-N 3.36Å; F242-W380 AromaticContact CE2-CZ3 3.99Å; F242-W380 HydrophobicContact CE2-CZ3 3.99Å; F242-W380 HydrophobicContact CZ-CE3 4.25Å; F242-W380 HydrophobicContact CZ-CZ3 4.09Å; F242-F418 HydrophobicContact CE1-CD2 4.24Å; F242-F418 HydrophobicContact CE1-CE2 4.44Å; F242-L423 HydrophobicContact CD1-CD2 3.71Å; F242-L423 HydrophobicContact CE1-CD2 4.03Å; F242-L423 HydrophobicContact CG-CD2 4.47Å; F242-I426 HydrophobicContact CD1-CB 3.84Å; F242-I426 HydrophobicContact CD1-CD1 4.44Å; F242-I426 HydrophobicContact CD1-CG2 3.41Å; F242-I426 VanDerWaalsContact CD1-CG2 3.41Å; F242-I426 HydrophobicContact CE1-CB 4.04Å; F242-I426 HydrophobicContact CE1-CD1 3.89Å; F242-I426 HydrophobicContact CE1-CG2 3.46Å; F242-I426 VanDerWaalsContact CE1-CG2 3.46Å; F242-I426 HydrophobicContact CG-CG2 4.12Å; F242-I426 HydrophobicContact CZ-CG2 4.17Å; F242-L430 HydrophobicContact CB-CD1 4.15Å; F242-L430 HydrophobicContact CD2-CD1 3.78Å; F242-L430 HydrophobicContact CE2-CD1 4.32Å; F242-L430 HydrophobicContact CG-CD1 3.89Å |
| 243 | L | 84.9 | Confident | 80.9 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124 | -175.1 | -62.6 | 175.5 | 0 | 0 | 0 | 109.8 | E249 L423 R424 G427 | L243-E249 HydrophobicContact CD2-CG 4.27Å; L243-L423 HydrophobicContact CG-CB 4.4Å; L243-L423 PolarHBondContact N-O 2.8Å; L243-L423 VanDerWaalsContact N-O 3.08Å; L243-R424 HydrophobicContact CB-CG 3.95Å; L243-R424 HydrophobicContact CD1-CG 3.75Å; L243-R424 HydrophobicContact CG-CG 4.47Å; L243-G427 VanDerWaalsContact O-CA 3.3Å; L243-G427 WeakPolarHBondContact O-CA 3.46Å |
| 244 | D | 82.2 | Confident | 80.8 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | trans | -72 | -178.7 | 174.7 | 82.6 | -9.9 | 0 | 0 | 0 | 111.9 | K246 H247 D248 M250 V431 | D244-K246 PolarHBondContact O-N 2.77Å; D244-K246 VanDerWaalsContact O-N 3.13Å; D244-K246 VanDerWaalsContact OD1-C 3.29Å; D244-K246 VanDerWaalsContact OD1-CA 3.27Å; D244-K246 WeakPolarHBondContact OD1-CA 3.29Å; D244-K246 WeakPolarHBondContact OD1-CB 3.38Å; D244-K246 PolarHBondContact OD1-N 3.04Å; D244-H247 WeakPolarHBondContact O-CA 3.15Å; D244-H247 PolarHBondContact O-N 2.74Å; D244-H247 PolarHBondContact OD1-N 2.86Å; D244-D248 PolarHBondContact N-O 2.84Å; D244-D248 VanDerWaalsContact N-O 3.14Å; D244-D248 PolarHBondContact OD1-N 2.94Å; D244-M250 HydrophobicContact CB-CG 4.11Å; D244-M250 HydrophobicContact CB-SD 3.57Å; D244-M250 VanDerWaalsContact CB-SD 3.57Å; D244-V431 HydrophobicContact CB-CG2 4.15Å | ||
| 245 | D | 78 | Confident | 80.9 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24 | 179.2 | -63.8 | -31.4 | 0 | 0 | 0 | 113.1 | ||
| 246 | K | 80.5 | Confident | 81.4 | Confident | 162 Ų | 162 | 52.3 Ų | 52.3 | 70% | 0.704 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.3 | 176.1 | -62 | -179.8 | -176.9 | 173.7 | 0 | 113 | D244 | D244-K246 PolarHBondContact O-N 2.77Å; D244-K246 VanDerWaalsContact O-N 3.13Å; D244-K246 VanDerWaalsContact OD1-C 3.29Å; D244-K246 VanDerWaalsContact OD1-CA 3.27Å; D244-K246 WeakPolarHBondContact OD1-CA 3.29Å; D244-K246 WeakPolarHBondContact OD1-CB 3.38Å; D244-K246 PolarHBondContact OD1-N 3.04Å |
| 247 | H | 77.3 | Confident | 81.7 | Confident | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | trans | 66.5 | 23.2 | -174.3 | -54 | 62.1 | 0 | 0 | 0 | 113.6 | D244 | D244-H247 WeakPolarHBondContact O-CA 3.15Å; D244-H247 PolarHBondContact O-N 2.74Å; D244-H247 PolarHBondContact OD1-N 2.86Å | ||
| 248 | D | 80 | Confident | 81.8 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | trans | -77 | 139.8 | 171.4 | -68.3 | -36.8 | 0 | 0 | 0 | 109.7 | D244 M250 | D244-D248 PolarHBondContact N-O 2.84Å; D244-D248 VanDerWaalsContact N-O 3.14Å; D244-D248 PolarHBondContact OD1-N 2.94Å; D248-M250 PolarHBondContact O-N 2.94Å | ||
| 249 | E | 79.2 | Confident | 82.4 | Confident | 117 Ų | 117 | 52.2 Ų | 52.2 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 118.3 | -178.3 | -67.6 | -170.6 | 167.8 | 0 | 0 | 111.5 | K241 L243 | K241-E249 VanDerWaalsContact NZ-CD 3.3Å; K241-E249 IonicContact NZ-OE1 3.64Å; K241-E249 PolarHBondContact NZ-OE1 3.11Å; K241-E249 IonicContact NZ-OE2 3.72Å; K241-E249 PolarHBondContact NZ-OE2 3.26Å; L243-E249 HydrophobicContact CD2-CG 4.27Å |
| 250 | M | 78.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 107.8 | 171.5 | -68.5 | 176.6 | 62.5 | 0 | 0 | 109.9 | F242 D244 D248 Y253 L430 V431 | F242-M250 HydrophobicContact CB-CB 4.14Å; F242-M250 PolarHBondContact N-O 2.98Å; F242-M250 PolarHBondContact O-N 3.36Å; D244-M250 HydrophobicContact CB-CG 4.11Å; D244-M250 HydrophobicContact CB-SD 3.57Å; D244-M250 VanDerWaalsContact CB-SD 3.57Å; D248-M250 PolarHBondContact O-N 2.94Å; M250-Y253 HydrophobicContact CB-CD2 4.22Å; M250-Y253 HydrophobicContact CB-CE2 3.9Å; M250-Y253 HydrophobicContact CE-CD2 4.24Å; M250-Y253 HydrophobicContact CE-CE1 4.27Å; M250-Y253 HydrophobicContact CE-CE2 3.43Å; M250-Y253 VanDerWaalsContact CE-CE2 3.43Å; M250-Y253 VanDerWaalsContact CE-CZ 3.44Å; M250-Y253 WeakPolarHBondContact CE-OH 3.29Å; M250-L430 HydrophobicContact CE-CB 3.79Å; M250-L430 HydrophobicContact CE-CD1 4.32Å; M250-V431 HydrophobicContact CE-CG2 4.36Å; M250-V431 HydrophobicContact SD-CG2 4.04Å |
| 251 | I | 74.8 | Confident | 84.5 | Confident | 94 Ų | 94 | 48 Ų | 48 | 48% | 0.482 | 24% | 0.237 | S | C | . | . | trans | -114 | 156.8 | -177.2 | 62.7 | 170.8 | 0 | 0 | 0 | 113.3 | K198 K241 | K198-I251 PolarHBondContact NZ-O 3.45Å; K241-I251 HydrophobicContact CB-CG2 4.42Å; K241-I251 HydrophobicContact CG-CG2 3.92Å | ||
| 252 | G | 71.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | trans | 81.1 | 13.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K198 | K198-G252 WeakPolarHBondContact CB-O 3.14Š| ||
| 253 | Y | 85.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | -78.8 | 131.9 | 171.1 | -74.4 | -91.6 | 0 | 0 | 0 | 110.1 | K198 F237 L238 M250 L430 A434 F438 | K198-Y253 HydrophobicContact CB-CD1 4.2Å; K198-Y253 HydrophobicContact CB-CE1 4.38Å; K198-Y253 HydrophobicContact CB-CG 4.47Å; K198-Y253 HydrophobicContact CG-CD1 4.44Å; K198-Y253 HydrophobicContact CG-CE1 4.21Å; K198-Y253 HydrophobicContact CG-CE2 4.42Å; K198-Y253 WeakPolarHBondContact O-CA 3.37Å; F237-Y253 CarbonylContact C-O 3.27Å; L238-Y253 WeakPolarHBondContact CA-O 3.22Å; L238-Y253 PolarHBondContact N-O 3.21Å; M250-Y253 HydrophobicContact CB-CD2 4.22Å; M250-Y253 HydrophobicContact CB-CE2 3.9Å; M250-Y253 HydrophobicContact CE-CD2 4.24Å; M250-Y253 HydrophobicContact CE-CE1 4.27Å; M250-Y253 HydrophobicContact CE-CE2 3.43Å; M250-Y253 VanDerWaalsContact CE-CE2 3.43Å; M250-Y253 VanDerWaalsContact CE-CZ 3.44Å; M250-Y253 WeakPolarHBondContact CE-OH 3.29Å; Y253-L430 HydrophobicContact CD1-CD1 4.08Å; Y253-L430 HydrophobicContact CD1-CD2 3.99Å; Y253-L430 HydrophobicContact CD2-CD1 4.3Å; Y253-L430 HydrophobicContact CE1-CD2 4.46Å; Y253-L430 HydrophobicContact CG-CD1 3.91Å; Y253-A434 HydrophobicContact CE1-CB 4.05Å; Y253-F438 HydrophobicContact CD1-CD1 4.09Å; Y253-F438 AromaticContact CD1-CE1 3.89Å; Y253-F438 HydrophobicContact CD1-CE1 3.89Å; Y253-F438 HydrophobicContact CE1-CD1 4.42Å | ||
| 254 | G | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | -156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K198 C200 | K198-G254 PolarHBondContact O-N 2.95Å; K198-G254 VanDerWaalsContact O-N 3.1Å; C200-G254 PolarHBondContact N-O 2.77Å |
| 255 | F | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 151.1 | -179.8 | -61.6 | -78.7 | 0 | 0 | 0 | 111.9 | C200 L202 F230 N234 F237 L303 L376 W380 | C200-F255 HydrophobicContact CB-CD1 3.8Å; C200-F255 HydrophobicContact CB-CE1 4.21Å; C200-F255 CarbonylContact O-C 3.59Å; C200-F255 VanDerWaalsContact O-CA 3.23Å; C200-F255 WeakPolarHBondContact O-CA 3.48Å; L202-F255 HydrophobicContact CB-CB 4.1Å; L202-F255 HydrophobicContact CB-CD1 3.79Å; L202-F255 HydrophobicContact CB-CG 4.24Å; L202-F255 HydrophobicContact CD1-CD1 4.43Å; L202-F255 HydrophobicContact CD1-CE1 4.39Å; L202-F255 HydrophobicContact CD2-CB 4.2Å; L202-F255 HydrophobicContact CD2-CD1 3.87Å; L202-F255 HydrophobicContact CD2-CD2 4.4Å; L202-F255 HydrophobicContact CD2-CE1 4.25Å; L202-F255 HydrophobicContact CD2-CG 3.92Å; L202-F255 HydrophobicContact CG-CD1 4.25Å; F230-F255 HydrophobicContact CE2-CB 3.72Å; F230-F255 HydrophobicContact CZ-CB 4.3Å; N234-F255 PolarHBondContact ND2-O 2.85Å; N234-F255 PolarHBondContact OD1-N 3.31Å; N234-F255 PolarHBondContact OD1-O 3.01Å; F237-F255 HydrophobicContact CB-CD2 4.45Å; F237-F255 HydrophobicContact CB-CE2 4.31Å; F237-F255 AromaticContact CD1-CE2 3.81Å; F237-F255 HydrophobicContact CD1-CE2 3.81Å; F237-F255 HydrophobicContact CD1-CZ 4.27Å; F237-F255 HydrophobicContact CD2-CD2 4.33Å; F237-F255 AromaticContact CD2-CE2 3.62Å; F237-F255 HydrophobicContact CD2-CE2 3.62Å; F237-F255 AromaticContact CE1-CE2 3.97Å; F237-F255 HydrophobicContact CE1-CE2 3.97Å; F237-F255 HydrophobicContact CE1-CZ 4.1Å; F237-F255 AromaticContact CE2-CE2 3.77Å; F237-F255 HydrophobicContact CE2-CE2 3.77Å; F237-F255 HydrophobicContact CE2-CZ 4.42Å; F237-F255 HydrophobicContact CG-CD2 4.24Å; F237-F255 AromaticContact CG-CE2 3.63Å; F237-F255 HydrophobicContact CG-CE2 3.63Å; F237-F255 AromaticContact CZ-CE2 3.94Å; F237-F255 HydrophobicContact CZ-CE2 3.94Å; F237-F255 HydrophobicContact CZ-CZ 4.17Å; F255-L303 HydrophobicContact CE1-CD2 4.07Å; F255-L303 HydrophobicContact CZ-CD2 4.49Å; F255-L376 HydrophobicContact CE2-CD1 3.92Å; F255-L376 HydrophobicContact CZ-CB 4.2Å; F255-L376 HydrophobicContact CZ-CD1 3.92Å; F255-L376 HydrophobicContact CZ-CD2 4.14Å; F255-L376 HydrophobicContact CZ-CG 4.33Å; F255-W380 HydrophobicContact CD1-CZ2 4.13Å; F255-W380 HydrophobicContact CD2-CZ2 4.43Å; F255-W380 AromaticContact CE1-CE2 3.74Å; F255-W380 AromaticContact CE1-CZ2 3.75Å; F255-W380 HydrophobicContact CE1-CZ2 3.75Å; F255-W380 AromaticContact CE1-NE1 3.16Å; F255-W380 HydrophobicContact CE2-CZ2 4.04Å; F255-W380 HydrophobicContact CG-CZ2 4.49Å; F255-W380 AromaticContact CZ-CD1 3.95Å; F255-W380 AromaticContact CZ-CE2 3.54Å; F255-W380 AromaticContact CZ-CZ2 3.71Å; F255-W380 HydrophobicContact CZ-CZ2 3.71Å; F255-W380 AromaticContact CZ-NE1 3.01Å |
| 256 | L | 89.2 | Confident | 88 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.2 | 166.2 | 177.9 | 67.3 | 0 | 0 | 0 | 107.9 | N71 L199 C200 L202 H258 A444 | N71-L256 HydrophobicContact CB-CD1 4.26Å; N71-L256 HydrophobicContact CB-CD2 4.48Å; N71-L256 HydrophobicContact CB-CG 4.29Å; L199-L256 HydrophobicContact CB-CB 4.13Å; C200-L256 PolarHBondContact O-N 2.69Å; L202-L256 PolarHBondContact N-O 2.97Å; L256-H258 PolarHBondContact O-N 3.29Å; L256-H258 VanDerWaalsContact O-N 3.08Å; L256-A444 HydrophobicContact CD1-CB 4.45Å |
| 257 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 110.4 | 177.4 | -173.9 | 59.9 | 0 | 0 | 0 | 109.5 | F69 N71 L74 L204 I227 F230 I260 | F69-L257 PolarHBondContact O-N 3.36Å; N71-L257 VanDerWaalsContact CB-O 3.25Å; N71-L257 WeakPolarHBondContact CB-O 3.4Å; N71-L257 PolarHBondContact N-O 2.98Å; L74-L257 HydrophobicContact CD1-CD2 4.21Å; L74-L257 HydrophobicContact CD1-CG 3.83Å; L74-L257 HydrophobicContact CD2-CD2 4Å; L74-L257 HydrophobicContact CD2-CG 4.48Å; L204-L257 HydrophobicContact CD1-CD1 4Å; L204-L257 HydrophobicContact CG-CD1 4.2Å; I227-L257 HydrophobicContact CG1-CD2 4.14Å; F230-L257 HydrophobicContact CB-CD1 4.5Å; F230-L257 HydrophobicContact CB-CD2 4.35Å; F230-L257 HydrophobicContact CD1-CB 3.96Å; F230-L257 HydrophobicContact CD1-CD2 4.05Å; F230-L257 HydrophobicContact CD1-CG 4.49Å; F230-L257 HydrophobicContact CD2-CB 3.85Å; F230-L257 HydrophobicContact CD2-CD1 3.87Å; F230-L257 HydrophobicContact CD2-CG 4.28Å; F230-L257 HydrophobicContact CE1-CB 3.74Å; F230-L257 HydrophobicContact CE2-CB 3.61Å; F230-L257 HydrophobicContact CE2-CD1 4.36Å; F230-L257 HydrophobicContact CG-CB 4.03Å; F230-L257 HydrophobicContact CG-CD1 4.13Å; F230-L257 HydrophobicContact CG-CD2 4.03Å; F230-L257 HydrophobicContact CG-CG 4.28Å; F230-L257 HydrophobicContact CZ-CB 3.57Å; F230-L257 VanDerWaalsContact CZ-N 3.35Å; L257-I260 HydrophobicContact CD1-CG1 4.29Å; L257-I260 HydrophobicContact CD2-CD1 4.19Å; L257-I260 HydrophobicContact CD2-CG1 4.34Å |
| 258 | H | 88.1 | Confident | 89 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -56.7 | -173.8 | 178.1 | 16.9 | 0 | 0 | 0 | 113.4 | L74 R201 L202 L256 | L74-H258 WeakPolarHBondContact CD1-O 3.47Å; R201-H258 WeakPolarHBondContact CD-CD2 3.42Å; R201-H258 HydrophobicContact CG-CB 3.36Å; R201-H258 PolarHBondContact NH1-CE1 2.83Å; R201-H258 VanDerWaalsContact NH1-CG 3.25Å; R201-H258 PolarHBondContact NH1-ND1 3.34Å; L202-H258 WeakPolarHBondContact O-CB 3.47Å; L202-H258 PolarHBondContact O-N 2.99Å; L256-H258 PolarHBondContact O-N 3.29Å; L256-H258 VanDerWaalsContact O-N 3.08Å |
| 259 | E | 92.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.1 | -172.6 | -177.8 | -179.6 | -144.1 | 0 | 0 | 108 | S75 R77 T203 L204 V261 | S75-E259 VanDerWaalsContact O-CA 3.27Å; S75-E259 WeakPolarHBondContact O-CA 3.47Å; S75-E259 WeakPolarHBondContact O-CG 3.25Å; R77-E259 WeakPolarHBondContact CB-OE1 3.35Å; R77-E259 IonicContact CZ-OE1 3.96Å; R77-E259 IonicContact CZ-OE2 3.94Å; R77-E259 IonicContact NE-OE1 3.12Å; R77-E259 PolarHBondContact NE-OE1 2.97Å; R77-E259 IonicContact NE-OE2 3.81Å; R77-E259 IonicContact NH2-OE1 3.57Å; R77-E259 PolarHBondContact NH2-OE1 2.89Å; R77-E259 IonicContact NH2-OE2 3.71Å; R77-E259 PolarHBondContact NH2-OE2 3.02Å; T203-E259 WeakPolarHBondContact CA-O 3.29Å; T203-E259 HydrophobicContact CG2-CB 3.99Å; T203-E259 HydrophobicContact CG2-CG 4.43Å; L204-E259 PolarHBondContact N-O 3.16Å; L204-E259 VanDerWaalsContact N-O 3.07Å; E259-V261 HydrophobicContact CG-CG2 4.05Å |
| 260 | I | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.5 | 164.9 | -58.4 | 171.9 | 0 | 0 | 0 | 107.4 | L74 S75 V76 R77 L204 I223 V226 I227 L257 I262 | L74-I260 HydrophobicContact CD1-CG1 4.39Å; L74-I260 HydrophobicContact CD2-CD1 4.48Å; S75-I260 PolarHBondContact O-N 3.07Å; V76-I260 CarbonylContact C-O 3.43Å; V76-I260 VanDerWaalsContact CA-O 3.25Å; V76-I260 WeakPolarHBondContact CA-O 3.47Å; V76-I260 HydrophobicContact CG1-CB 4.15Å; V76-I260 HydrophobicContact CG1-CG2 4.27Å; V76-I260 HydrophobicContact CG2-CB 4.17Å; V76-I260 HydrophobicContact CG2-CD1 4.31Å; R77-I260 PolarHBondContact N-O 3.43Å; L204-I260 CarbonylContact O-C 3.56Å; L204-I260 VanDerWaalsContact O-CA 3.31Å; L204-I260 WeakPolarHBondContact O-CA 3.36Å; I223-I260 HydrophobicContact CG2-CD1 4Å; V226-I260 HydrophobicContact CB-CD1 4.26Å; V226-I260 HydrophobicContact CB-CG2 4.35Å; V226-I260 HydrophobicContact CG1-CD1 3.87Å; V226-I260 HydrophobicContact CG1-CG1 3.88Å; V226-I260 HydrophobicContact CG1-CG2 3.98Å; V226-I260 HydrophobicContact CG2-CG2 4.28Å; I227-I260 HydrophobicContact CG1-CD1 4.17Å; L257-I260 HydrophobicContact CD1-CG1 4.29Å; L257-I260 HydrophobicContact CD2-CD1 4.19Å; L257-I260 HydrophobicContact CD2-CG1 4.34Å; I260-I262 HydrophobicContact CG2-CD1 4.1Å; I260-I262 HydrophobicContact CG2-CG1 3.83Å |
| 261 | V | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.7 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | R77 I79 T203 L204 I205 A206 E259 F296 | R77-V261 VanDerWaalsContact NH2-CG2 3.25Å; R77-V261 CarbonylContact O-C 3.58Å; R77-V261 WeakPolarHBondContact O-CA 3.02Å; I79-V261 HydrophobicContact CD1-CG1 3.65Å; I79-V261 HydrophobicContact CG1-CG1 4.24Å; T203-V261 HydrophobicContact CG2-CG2 4.23Å; L204-V261 PolarHBondContact O-N 2.78Å; I205-V261 CarbonylContact C-O 3.54Å; I205-V261 WeakPolarHBondContact CA-O 3.45Å; I205-V261 HydrophobicContact CB-CB 4.32Å; I205-V261 HydrophobicContact CG1-CB 4.01Å; I205-V261 HydrophobicContact CG1-CG2 4.24Å; I205-V261 HydrophobicContact CG2-CB 4.07Å; I205-V261 HydrophobicContact CG2-CG1 4.27Å; A206-V261 PolarHBondContact N-O 3.04Å; E259-V261 HydrophobicContact CG-CG2 4.05Å; V261-F296 HydrophobicContact CG2-CE2 4.46Å; V261-F296 HydrophobicContact CG2-CZ 4.07Å |
| 262 | I | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.9 | -179.3 | -58.4 | 176.5 | 0 | 0 | 0 | 108.6 | V76 R77 F78 I79 A206 F211 T222 I223 I260 | V76-I262 HydrophobicContact CG1-CD1 3.94Å; V76-I262 HydrophobicContact CG1-CG1 4.36Å; R77-I262 PolarHBondContact O-N 3.3Å; F78-I262 CarbonylContact C-O 3.3Å; F78-I262 WeakPolarHBondContact CA-O 3.34Å; F78-I262 HydrophobicContact CD1-CB 3.83Å; F78-I262 HydrophobicContact CD1-CD1 4.42Å; F78-I262 HydrophobicContact CD1-CG2 4.03Å; F78-I262 HydrophobicContact CE1-CB 3.93Å; F78-I262 HydrophobicContact CE1-CD1 3.67Å; F78-I262 HydrophobicContact CE1-CG1 4.33Å; F78-I262 HydrophobicContact CE1-CG2 4.01Å; F78-I262 HydrophobicContact CZ-CD1 3.87Å; I79-I262 PolarHBondContact N-O 2.8Å; A206-I262 HydrophobicContact CB-CG1 4.33Å; F211-I262 HydrophobicContact CB-CG2 4.15Å; F211-I262 HydrophobicContact CD2-CG2 3.51Å; F211-I262 HydrophobicContact CE2-CG2 4.17Å; F211-I262 HydrophobicContact CG-CG2 4.04Å; T222-I262 HydrophobicContact CG2-CD1 3.81Å; T222-I262 HydrophobicContact CG2-CG1 4.16Å; T222-I262 HydrophobicContact CG2-CG2 4.12Å; I223-I262 HydrophobicContact CG1-CD1 3.62Å; I260-I262 HydrophobicContact CG2-CD1 4.1Å; I260-I262 HydrophobicContact CG2-CG1 3.83Å |
| 263 | H | 98.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.2 | 170.5 | -71.3 | -92.8 | 0 | 0 | 0 | 110.1 | I79 A206 Y208 F211 Y273 N274 | I79-H263 CarbonylContact O-C 3.57Å; I79-H263 WeakPolarHBondContact O-CA 3Å; A206-H263 PolarHBondContact O-N 3.09Å; Y208-H263 VanDerWaalsContact CA-O 3.29Å; Y208-H263 WeakPolarHBondContact CA-O 3.49Å; F211-H263 WeakPolarHBondContact CB-O 3.14Å; H263-Y273 PolarHBondContact CE1-OH 3.07Å; H263-Y273 AromaticContact NE2-CE2 3.56Å; H263-Y273 AromaticContact NE2-CZ 3.56Å; H263-Y273 PolarHBondContact NE2-OH 2.97Å; H263-N274 VanDerWaalsContact CB-ND2 3.29Å; H263-N274 WeakPolarHBondContact CB-ND2 3.21Å; H263-N274 PolarHBondContact ND1-ND2 2.9Å |
| 264 | E | 96.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -89.6 | -5.9 | 176.2 | -61.1 | -168.6 | 108.6 | 0 | 0 | 112.8 | F78 I79 Y85 Y208 F211 | F78-E264 HydrophobicContact CD1-CG 3.79Å; I79-E264 PolarHBondContact O-N 2.79Å; Y85-E264 WeakPolarHBondContact CE1-OE2 3.32Å; Y85-E264 VanDerWaalsContact OH-CD 3.25Å; Y85-E264 PolarHBondContact OH-OE1 2.81Å; Y85-E264 PolarHBondContact OH-OE2 3.17Å; Y208-E264 VanDerWaalsContact CD2-O 3.24Å; Y208-E264 WeakPolarHBondContact CD2-O 3.34Å; Y208-E264 WeakPolarHBondContact CE2-O 3.24Å; F211-E264 HydrophobicContact CE1-CB 4.01Å; F211-E264 HydrophobicContact CE1-CG 4.08Å; F211-E264 HydrophobicContact CE2-CG 4.2Å; F211-E264 HydrophobicContact CZ-CB 4.26Å; F211-E264 HydrophobicContact CZ-CG 3.84Å |
| 265 | S | 96.6 | Very high | 93 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -149.9 | 166 | 174.2 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | S80 T81 Y208 N274 | S80-S265 VanDerWaalsContact C-OG 3.23Å; S80-S265 WeakPolarHBondContact CA-OG 3.22Å; T81-S265 WeakPolarHBondContact CG2-OG 3.46Å; T81-S265 PolarHBondContact N-OG 3.17Å; Y208-S265 VanDerWaalsContact CD2-CA 3.45Å; S265-N274 PolarHBondContact O-ND2 2.7Å |
| 266 | W | 95.3 | Very high | 93 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | trans | -63.9 | 146.4 | 169.8 | -70.5 | 127.2 | 0 | 0 | 0 | 112.9 | Y208 D209 P276 | Y208-W266 AromaticContact CD1-CD1 3.7Å; Y208-W266 AromaticContact CD1-CD2 3.41Å; Y208-W266 HydrophobicContact CD1-CD2 3.41Å; Y208-W266 VanDerWaalsContact CD1-CD2 3.41Å; Y208-W266 AromaticContact CD1-CE2 3.32Å; Y208-W266 AromaticContact CD1-CE3 3.9Å; Y208-W266 HydrophobicContact CD1-CE3 3.9Å; Y208-W266 AromaticContact CD1-CG 3.71Å; Y208-W266 HydrophobicContact CD1-CG 3.71Å; Y208-W266 HydrophobicContact CD1-CH2 4.2Å; Y208-W266 AromaticContact CD1-CZ2 3.78Å; Y208-W266 HydrophobicContact CD1-CZ2 3.78Å; Y208-W266 HydrophobicContact CD1-CZ3 4.26Å; Y208-W266 AromaticContact CD1-NE1 3.48Å; Y208-W266 AromaticContact CE1-CD1 3.6Å; Y208-W266 HydrophobicContact CE1-CD2 4.12Å; Y208-W266 AromaticContact CE1-CE2 3.81Å; Y208-W266 HydrophobicContact CE1-CG 4.05Å; Y208-W266 HydrophobicContact CE1-CZ2 4.44Å; Y208-W266 AromaticContact CE1-NE1 3.44Å; Y208-W266 HydrophobicContact CG-CD2 4.24Å; Y208-W266 HydrophobicContact CG-CE3 4.36Å; D209-W266 HydrophobicContact CB-CH2 4.08Å; D209-W266 WeakPolarHBondContact OD1-CH2 3.44Å; D209-W266 WeakPolarHBondContact OD1-CZ2 3.39Å; D209-W266 WeakPolarHBondContact OD2-CH2 3.33Å; D209-W266 WeakPolarHBondContact OD2-CZ2 3.26Å; W266-P276 HydrophobicContact CD2-CB 4.36Å; W266-P276 HydrophobicContact CD2-CG 4.48Å; W266-P276 HydrophobicContact CZ2-CB 4.01Å | ||
| 267 | T | 93.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -80.8 | 130.7 | 163.1 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | D269 H272 N274 | T267-D269 VanDerWaalsContact C-N 3.29Å; T267-D269 HydrophobicContact CG2-CB 4.43Å; T267-D269 PolarHBondContact O-N 2.87Å; T267-H272 WeakPolarHBondContact CB-ND1 3.26Å; T267-H272 HydrophobicContact CG2-CB 3.92Å; T267-H272 PolarHBondContact OG1-CE1 3.37Å; T267-H272 PolarHBondContact OG1-ND1 3.45Å; T267-N274 WeakPolarHBondContact CB-O 3.39Å; T267-N274 PolarHBondContact N-ND2 3.48Å; T267-N274 PolarHBondContact N-O 2.67Å; T267-N274 PolarHBondContact OG1-ND2 3.11Å; T267-N274 PolarHBondContact OG1-O 2.8Å | ||
| 268 | A | 86.4 | Confident | 93.2 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 78% | 0.777 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -67.2 | -28.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y270 | A268-Y270 PolarHBondContact O-N 2.73Š|
| 269 | D | 86.3 | Confident | 93.3 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -72.5 | 115.1 | -176.8 | -63.4 | -15.8 | 0 | 0 | 0 | 111.4 | T267 G271 H272 S275 | T267-D269 VanDerWaalsContact C-N 3.29Å; T267-D269 HydrophobicContact CG2-CB 4.43Å; T267-D269 PolarHBondContact O-N 2.87Å; D269-G271 PolarHBondContact O-N 3.44Å; D269-H272 HydrophobicContact CB-CB 4.43Å; D269-H272 VanDerWaalsContact O-CB 3.23Å; D269-H272 WeakPolarHBondContact O-CB 3.42Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 VanDerWaalsContact O-N 3.15Å; D269-S275 WeakPolarHBondContact O-CB 3.44Å |
| 270 | Y | 85.2 | Confident | 93.1 | Very high | 162 Ų | 162 | 43.6 Ų | 43.6 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.9 | 171.5 | -71.3 | -71.3 | 0 | 0 | 0 | 111.4 | A268 H272 | A268-Y270 PolarHBondContact O-N 2.73Å; Y270-H272 VanDerWaalsContact C-N 3.28Å |
| 271 | G | 87.5 | Confident | 92.6 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 3.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D269 S275 A292 R295 | D269-G271 PolarHBondContact O-N 3.44Å; G271-S275 PolarHBondContact N-OG 2.76Å; G271-A292 WeakPolarHBondContact O-CB 3.37Å; G271-R295 PolarHBondContact O-NH1 2.81Å |
| 272 | H | 94.9 | Very high | 92.2 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -73 | 142.8 | 161.8 | -172.8 | -96.2 | 0 | 0 | 0 | 109.5 | T267 D269 Y270 N274 S275 W284 | T267-H272 WeakPolarHBondContact CB-ND1 3.26Å; T267-H272 HydrophobicContact CG2-CB 3.92Å; T267-H272 PolarHBondContact OG1-CE1 3.37Å; T267-H272 PolarHBondContact OG1-ND1 3.45Å; D269-H272 HydrophobicContact CB-CB 4.43Å; D269-H272 VanDerWaalsContact O-CB 3.23Å; D269-H272 WeakPolarHBondContact O-CB 3.42Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 VanDerWaalsContact O-N 3.15Å; Y270-H272 VanDerWaalsContact C-N 3.28Å; H272-N274 PolarHBondContact ND1-N 2.81Å; H272-N274 PolarHBondContact O-N 2.82Å; H272-N274 VanDerWaalsContact O-N 3.07Å; H272-S275 WeakPolarHBondContact O-CB 3.13Å; H272-S275 PolarHBondContact O-N 2.89Å; H272-S275 PolarHBondContact O-OG 2.87Å; H272-W284 WeakPolarHBondContact O-CH2 3.49Å; H272-W284 VanDerWaalsContact O-CZ2 3.28Å; H272-W284 WeakPolarHBondContact O-CZ2 3.49Å |
| 273 | Y | 96.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.3 | -177.5 | 67.8 | -93.1 | 0 | 0 | 0 | 113.1 | I205 H263 F293 F296 L306 K310 | I205-Y273 HydrophobicContact CG2-CE2 4.07Å; H263-Y273 PolarHBondContact CE1-OH 3.07Å; H263-Y273 AromaticContact NE2-CE2 3.56Å; H263-Y273 AromaticContact NE2-CZ 3.56Å; H263-Y273 PolarHBondContact NE2-OH 2.97Å; Y273-F293 AromaticContact CD1-CD2 3.95Å; Y273-F293 HydrophobicContact CD1-CD2 3.95Å; Y273-F293 AromaticContact CD2-CD2 3.85Å; Y273-F293 HydrophobicContact CD2-CD2 3.85Å; Y273-F293 HydrophobicContact CE1-CD2 4.22Å; Y273-F293 HydrophobicContact CE2-CD2 4.14Å; Y273-F293 HydrophobicContact CE2-CE2 4.4Å; Y273-F293 HydrophobicContact CG-CB 4.27Å; Y273-F293 AromaticContact CG-CD2 3.76Å; Y273-F293 HydrophobicContact CG-CD2 3.76Å; Y273-F293 HydrophobicContact CG-CG 4.5Å; Y273-F296 HydrophobicContact CE1-CB 4.02Å; Y273-F296 HydrophobicContact CE1-CD2 4.13Å; Y273-F296 WeakPolarHBondContact OH-CD2 3.45Å; Y273-L306 HydrophobicContact CD2-CD1 3.99Å; Y273-L306 HydrophobicContact CD2-CD2 3.98Å; Y273-L306 HydrophobicContact CE2-CD1 4.15Å; Y273-K310 WeakPolarHBondContact O-CE 3.04Å |
| 274 | N | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 33.4 | 171.6 | -175 | 54.6 | 0 | 0 | 0 | 112.2 | Y208 H263 S265 T267 H272 | Y208-N274 WeakPolarHBondContact CB-OD1 3.35Å; Y208-N274 PolarHBondContact N-OD1 3.24Å; H263-N274 VanDerWaalsContact CB-ND2 3.29Å; H263-N274 WeakPolarHBondContact CB-ND2 3.21Å; H263-N274 PolarHBondContact ND1-ND2 2.9Å; S265-N274 PolarHBondContact O-ND2 2.7Å; T267-N274 WeakPolarHBondContact CB-O 3.39Å; T267-N274 PolarHBondContact N-ND2 3.48Å; T267-N274 PolarHBondContact N-O 2.67Å; T267-N274 PolarHBondContact OG1-ND2 3.11Å; T267-N274 PolarHBondContact OG1-O 2.8Å; H272-N274 PolarHBondContact ND1-N 2.81Å; H272-N274 PolarHBondContact O-N 2.82Å; H272-N274 VanDerWaalsContact O-N 3.07Å |
| 275 | S | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -100.7 | 151.9 | 163.9 | 66.9 | 0 | 0 | 0 | 0 | 109.8 | D269 G271 H272 T277 W284 K310 | D269-S275 WeakPolarHBondContact O-CB 3.44Å; G271-S275 PolarHBondContact N-OG 2.76Å; H272-S275 WeakPolarHBondContact O-CB 3.13Å; H272-S275 PolarHBondContact O-N 2.89Å; H272-S275 PolarHBondContact O-OG 2.87Å; S275-T277 PolarHBondContact O-N 2.8Å; S275-T277 PolarHBondContact OG-O 3.09Å; S275-W284 PolarHBondContact O-NE1 3.4Å; S275-W284 WeakPolarHBondContact OG-CZ2 3.38Å; S275-K310 WeakPolarHBondContact O-CE 3.32Å; S275-K310 PolarHBondContact O-NZ 3.22Å |
| 276 | P | 91.6 | Very high | 90.9 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -60.2 | -37.6 | -178.3 | 22.2 | -32.9 | 0 | 0 | 0 | 112 | W266 W284 | W266-P276 HydrophobicContact CD2-CB 4.36Å; W266-P276 HydrophobicContact CD2-CG 4.48Å; W266-P276 HydrophobicContact CZ2-CB 4.01Å; P276-W284 PolarHBondContact O-NE1 2.8Å |
| 277 | T | 91.5 | Very high | 90.7 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -129.2 | 159.5 | -178.4 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | S275 K282 W284 | S275-T277 PolarHBondContact O-N 2.8Å; S275-T277 PolarHBondContact OG-O 3.09Å; T277-K282 WeakPolarHBondContact CB-O 3.31Å; T277-W284 WeakPolarHBondContact O-CZ2 2.95Å |
| 278 | D | 93.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | trans | -70.9 | 177.7 | 172.9 | -164.1 | 4 | 0 | 0 | 0 | 110.9 | G280 G281 K282 W284 S288 | D278-G280 PolarHBondContact O-N 3.06Å; D278-G281 PolarHBondContact O-N 3.49Å; D278-K282 HydrophobicContact CB-CB 4.44Å; D278-K282 PolarHBondContact N-O 3.14Å; D278-W284 HydrophobicContact CB-CD2 3.91Å; D278-W284 HydrophobicContact CB-CE3 3.67Å; D278-W284 HydrophobicContact CB-CH2 4.14Å; D278-W284 HydrophobicContact CB-CZ2 4.35Å; D278-W284 HydrophobicContact CB-CZ3 3.78Å; D278-W284 WeakPolarHBondContact OD1-CZ3 3.36Å; D278-S288 WeakPolarHBondContact OD2-CB 3.43Å; D278-S288 PolarHBondContact OD2-OG 3.02Å | ||
| 279 | V | 90.1 | Very high | 91.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 56% | 0.564 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -49.8 | 126.9 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 280 | G | 87.9 | Confident | 91.7 | Very high | 71 Ų | 71 | 44 Ų | 44 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | 78.9 | 16.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D278 K282 | D278-G280 PolarHBondContact O-N 3.06Å; G280-K282 VanDerWaalsContact C-N 3.31Å; G280-K282 PolarHBondContact O-N 3.12Å |
| 281 | G | 84.9 | Confident | 92.1 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | 78.8 | 14.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D278 | D278-G281 PolarHBondContact O-N 3.49Š|
| 282 | K | 89.4 | Confident | 92.5 | Very high | 146 Ų | 146 | 41.1 Ų | 41.1 | 64% | 0.635 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -75.7 | 154 | -179 | -64.6 | -179.1 | -179.2 | -179.8 | 0 | 111.5 | T277 D278 G280 | T277-K282 WeakPolarHBondContact CB-O 3.31Å; D278-K282 HydrophobicContact CB-CB 4.44Å; D278-K282 PolarHBondContact N-O 3.14Å; G280-K282 VanDerWaalsContact C-N 3.31Å; G280-K282 PolarHBondContact O-N 3.12Å |
| 283 | I | 88.1 | Confident | 92.6 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 144 | 167.4 | -59.6 | 175.1 | 0 | 0 | 0 | 108.1 | D313 | I283-D313 HydrophobicContact CB-CB 4.47Å; I283-D313 HydrophobicContact CG2-CB 3.97Å |
| 284 | W | 93.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 134 | 178 | -70.9 | 102.2 | 0 | 0 | 0 | 111 | H272 S275 P276 T277 D278 L289 A292 K310 I312 D313 | H272-W284 WeakPolarHBondContact O-CH2 3.49Å; H272-W284 VanDerWaalsContact O-CZ2 3.28Å; H272-W284 WeakPolarHBondContact O-CZ2 3.49Å; S275-W284 PolarHBondContact O-NE1 3.4Å; S275-W284 WeakPolarHBondContact OG-CZ2 3.38Å; P276-W284 PolarHBondContact O-NE1 2.8Å; T277-W284 WeakPolarHBondContact O-CZ2 2.95Å; D278-W284 HydrophobicContact CB-CD2 3.91Å; D278-W284 HydrophobicContact CB-CE3 3.67Å; D278-W284 HydrophobicContact CB-CH2 4.14Å; D278-W284 HydrophobicContact CB-CZ2 4.35Å; D278-W284 HydrophobicContact CB-CZ3 3.78Å; D278-W284 WeakPolarHBondContact OD1-CZ3 3.36Å; W284-L289 HydrophobicContact CD2-CB 4.43Å; W284-L289 HydrophobicContact CD2-CD1 4.21Å; W284-L289 HydrophobicContact CE3-CB 3.94Å; W284-L289 HydrophobicContact CE3-CD1 4.12Å; W284-L289 HydrophobicContact CZ3-CD1 4.37Å; W284-A292 HydrophobicContact CH2-CB 3.98Å; W284-A292 HydrophobicContact CZ3-CB 3.8Å; W284-K310 HydrophobicContact CG-CD 4.47Å; W284-I312 HydrophobicContact CB-CD1 3.88Å; W284-I312 WeakPolarHBondContact O-CA 3.26Å; W284-D313 PolarHBondContact O-N 3.28Å |
| 285 | T | 92.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 157.3 | 162.7 | 69.5 | 0 | 0 | 0 | 0 | 108.9 | T287 S288 L289 E314 | T285-T287 PolarHBondContact O-N 2.77Å; T285-T287 PolarHBondContact OG1-OG1 2.77Å; T285-S288 PolarHBondContact N-OG 2.77Å; T285-S288 VanDerWaalsContact N-OG 3.13Å; T285-S288 PolarHBondContact O-N 3.28Å; T285-S288 VanDerWaalsContact O-N 3.14Å; T285-S288 PolarHBondContact O-OG 2.76Å; T285-S288 VanDerWaalsContact OG1-CB 3.27Å; T285-S288 WeakPolarHBondContact OG1-CB 3.34Å; T285-S288 PolarHBondContact OG1-N 2.95Å; T285-S288 VanDerWaalsContact OG1-N 3.09Å; T285-S288 PolarHBondContact OG1-OG 2.72Å; T285-L289 PolarHBondContact O-N 3.05Å; T285-E314 WeakPolarHBondContact CA-OE2 3.38Å; T285-E314 WeakPolarHBondContact CB-OE1 3.27Å |
| 286 | A | 88 | Confident | 92.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L290 I312 E314 I316 M319 W352 | A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 PolarHBondContact O-N 3.14Å; A286-L290 VanDerWaalsContact O-N 3.11Å; A286-I312 HydrophobicContact CB-CG2 4.06Å; A286-E314 PolarHBondContact N-OE2 2.63Å; A286-I316 HydrophobicContact CB-CB 3.86Å; A286-I316 HydrophobicContact CB-CD1 3.64Å; A286-I316 HydrophobicContact CB-CG1 4.33Å; A286-I316 HydrophobicContact CB-CG2 3.76Å; A286-M319 VanDerWaalsContact C-SD 3.59Å; A286-M319 HydrophobicContact CB-CE 3.44Å; A286-M319 VanDerWaalsContact CB-CE 3.44Å; A286-M319 HydrophobicContact CB-SD 3.98Å; A286-W352 HydrophobicContact CB-CZ2 3.89Å; A286-W352 PolarHBondContact O-NE1 3.16Å |
| 287 | T | 91.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 178.3 | 59 | 0 | 0 | 0 | 0 | 112.9 | T285 R291 M319 | T285-T287 PolarHBondContact O-N 2.77Å; T285-T287 PolarHBondContact OG1-OG1 2.77Å; T287-R291 WeakPolarHBondContact O-CB 3.18Å; T287-R291 VanDerWaalsContact O-CG 3.28Å; T287-R291 WeakPolarHBondContact O-CG 3.42Å; T287-R291 PolarHBondContact O-N 2.83Å; T287-M319 HydrophobicContact CG2-CE 3.99Å; T287-M319 HydrophobicContact CG2-SD 4.11Å |
| 288 | S | 95 | Very high | 92.7 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.3 | -38.3 | 179.7 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | D278 T285 R291 A292 | D278-S288 WeakPolarHBondContact OD2-CB 3.43Å; D278-S288 PolarHBondContact OD2-OG 3.02Å; T285-S288 PolarHBondContact N-OG 2.77Å; T285-S288 VanDerWaalsContact N-OG 3.13Å; T285-S288 PolarHBondContact O-N 3.28Å; T285-S288 VanDerWaalsContact O-N 3.14Å; T285-S288 PolarHBondContact O-OG 2.76Å; T285-S288 VanDerWaalsContact OG1-CB 3.27Å; T285-S288 WeakPolarHBondContact OG1-CB 3.34Å; T285-S288 PolarHBondContact OG1-N 2.95Å; T285-S288 VanDerWaalsContact OG1-N 3.09Å; T285-S288 PolarHBondContact OG1-OG 2.72Å; S288-R291 PolarHBondContact O-N 3.13Å; S288-A292 VanDerWaalsContact O-CB 3.3Å; S288-A292 WeakPolarHBondContact O-CB 3.44Å; S288-A292 PolarHBondContact O-N 2.89Å |
| 289 | L | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 174.3 | -176 | 57.7 | 0 | 0 | 0 | 111.8 | W284 T285 R291 A292 F293 L306 K310 I312 W352 | W284-L289 HydrophobicContact CD2-CB 4.43Å; W284-L289 HydrophobicContact CD2-CD1 4.21Å; W284-L289 HydrophobicContact CE3-CB 3.94Å; W284-L289 HydrophobicContact CE3-CD1 4.12Å; W284-L289 HydrophobicContact CZ3-CD1 4.37Å; T285-L289 PolarHBondContact O-N 3.05Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 2.94Å; L289-A292 PolarHBondContact O-N 3.08Å; L289-F293 WeakPolarHBondContact O-CB 3.3Å; L289-F293 PolarHBondContact O-N 2.92Å; L289-L306 HydrophobicContact CD1-CD2 4.28Å; L289-K310 HydrophobicContact CD1-CD 4.38Å; L289-K310 HydrophobicContact CD2-CD 4.48Å; L289-I312 HydrophobicContact CD2-CD1 3.75Å; L289-W352 HydrophobicContact CD2-CD2 3.64Å; L289-W352 HydrophobicContact CD2-CE3 3.79Å; L289-W352 HydrophobicContact CD2-CG 4.13Å; L289-W352 HydrophobicContact CD2-CZ2 4.37Å; L289-W352 HydrophobicContact CD2-CZ3 4.26Å; L289-W352 HydrophobicContact CG-CD2 4.17Å; L289-W352 HydrophobicContact CG-CG 4.23Å |
| 290 | L | 96.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.5 | -180 | 60.8 | 0 | 0 | 0 | 111.4 | A286 A292 F293 S294 M319 W321 | A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 PolarHBondContact O-N 3.14Å; A286-L290 VanDerWaalsContact O-N 3.11Å; L290-A292 PolarHBondContact O-N 3.43Å; L290-F293 PolarHBondContact O-N 3.04Å; L290-S294 WeakPolarHBondContact O-CB 3.27Å; L290-S294 PolarHBondContact O-N 3.07Å; L290-S294 PolarHBondContact O-OG 3.26Å; L290-M319 HydrophobicContact CB-SD 4.16Å; L290-M319 HydrophobicContact CD2-CB 4.36Å; L290-M319 HydrophobicContact CD2-CG 3.84Å; L290-M319 HydrophobicContact CD2-SD 3.83Å; L290-W321 HydrophobicContact CD2-CD2 4.26Å; L290-W321 HydrophobicContact CD2-CZ2 4.34Å; L290-W321 HydrophobicContact CG-CZ2 4.45Å |
| 291 | R | 93.7 | Very high | 92.8 | Very high | 106 Ų | 106 | 51.3 Ų | 51.3 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 177.3 | -73.7 | 177.3 | -176 | -177 | 2.3 | 112.6 | T287 S288 L289 | T287-R291 WeakPolarHBondContact O-CB 3.18Å; T287-R291 VanDerWaalsContact O-CG 3.28Å; T287-R291 WeakPolarHBondContact O-CG 3.42Å; T287-R291 PolarHBondContact O-N 2.83Å; S288-R291 PolarHBondContact O-N 3.13Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 2.94Å |
| 292 | A | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G271 W284 S288 L289 L290 R295 | G271-A292 WeakPolarHBondContact O-CB 3.37Å; W284-A292 HydrophobicContact CH2-CB 3.98Å; W284-A292 HydrophobicContact CZ3-CB 3.8Å; S288-A292 VanDerWaalsContact O-CB 3.3Å; S288-A292 WeakPolarHBondContact O-CB 3.44Å; S288-A292 PolarHBondContact O-N 2.89Å; L289-A292 PolarHBondContact O-N 3.08Å; L290-A292 PolarHBondContact O-N 3.43Å; A292-R295 WeakPolarHBondContact O-CB 3.34Å; A292-R295 PolarHBondContact O-N 2.89Å |
| 293 | F | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.2 | -31.6 | 178.8 | -177.9 | -122.1 | 0 | 0 | 0 | 112.5 | I205 Y273 L289 L290 R295 F296 A304 L306 T350 G351 | I205-F293 HydrophobicContact CB-CE2 4.39Å; I205-F293 HydrophobicContact CD1-CE2 4.04Å; I205-F293 HydrophobicContact CD1-CZ 3.61Å; I205-F293 HydrophobicContact CG1-CE2 4.06Å; I205-F293 HydrophobicContact CG1-CZ 4.16Å; Y273-F293 AromaticContact CD1-CD2 3.95Å; Y273-F293 HydrophobicContact CD1-CD2 3.95Å; Y273-F293 AromaticContact CD2-CD2 3.85Å; Y273-F293 HydrophobicContact CD2-CD2 3.85Å; Y273-F293 HydrophobicContact CE1-CD2 4.22Å; Y273-F293 HydrophobicContact CE2-CD2 4.14Å; Y273-F293 HydrophobicContact CE2-CE2 4.4Å; Y273-F293 HydrophobicContact CG-CB 4.27Å; Y273-F293 AromaticContact CG-CD2 3.76Å; Y273-F293 HydrophobicContact CG-CD2 3.76Å; Y273-F293 HydrophobicContact CG-CG 4.5Å; L289-F293 WeakPolarHBondContact O-CB 3.3Å; L289-F293 PolarHBondContact O-N 2.92Å; L290-F293 PolarHBondContact O-N 3.04Å; F293-R295 PolarHBondContact O-N 3.04Å; F293-F296 HydrophobicContact CD2-CB 4.05Å; F293-F296 HydrophobicContact CE2-CB 3.85Å; F293-F296 HydrophobicContact CE2-CD1 4.2Å; F293-F296 AromaticContact CE2-CG 3.98Å; F293-F296 HydrophobicContact CE2-CG 3.98Å; F293-F296 HydrophobicContact CZ-CD1 4.38Å; F293-F296 WeakPolarHBondContact O-CB 3.29Å; F293-F296 PolarHBondContact O-N 3.02Å; F293-A304 HydrophobicContact CZ-CB 4.29Å; F293-L306 HydrophobicContact CB-CD2 4.26Å; F293-L306 HydrophobicContact CD1-CB 3.85Å; F293-L306 HydrophobicContact CD2-CB 3.96Å; F293-L306 HydrophobicContact CD2-CD2 4.05Å; F293-L306 HydrophobicContact CD2-CG 4.41Å; F293-L306 HydrophobicContact CE1-CB 3.76Å; F293-L306 HydrophobicContact CE2-CB 3.88Å; F293-L306 HydrophobicContact CE2-CD1 4.46Å; F293-L306 HydrophobicContact CG-CB 3.97Å; F293-L306 HydrophobicContact CG-CD2 4.05Å; F293-L306 HydrophobicContact CZ-CB 3.79Å; F293-T350 HydrophobicContact CD1-CG2 4.16Å; F293-T350 HydrophobicContact CE1-CG2 3.86Å; F293-T350 HydrophobicContact CZ-CG2 4.41Å; F293-G351 WeakPolarHBondContact CD1-O 3.25Å; F293-G351 WeakPolarHBondContact CE1-O 3.27Å |
| 294 | S | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -9.2 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | L290 W321 L346 Y347 T350 | L290-S294 WeakPolarHBondContact O-CB 3.27Å; L290-S294 PolarHBondContact O-N 3.07Å; L290-S294 PolarHBondContact O-OG 3.26Å; S294-W321 PolarHBondContact OG-NE1 2.88Å; S294-L346 VanDerWaalsContact CB-CD1 3.46Å; S294-Y347 PolarHBondContact O-N 2.79Å; S294-T350 PolarHBondContact OG-OG1 3.16Å; S294-T350 VanDerWaalsContact OG-OG1 3.1Å |
| 295 | R | 94.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 38.3 Ų | 38.3 | 49% | 0.494 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8 | 172.6 | -58.1 | 174.1 | -171.6 | 123.1 | 7.6 | 113.1 | G271 A292 F293 L346 | G271-R295 PolarHBondContact O-NH1 2.81Å; A292-R295 WeakPolarHBondContact O-CB 3.34Å; A292-R295 PolarHBondContact O-N 2.89Å; F293-R295 PolarHBondContact O-N 3.04Å; R295-L346 HydrophobicContact CG-CD1 4.19Å |
| 296 | F | 94.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -65.3 | 135.7 | 171.4 | 176.3 | -100.2 | 0 | 0 | 0 | 109.6 | T203 I205 V261 Y273 F293 A298 A304 Y347 | T203-F296 HydrophobicContact CG2-CE1 4.46Å; I205-F296 HydrophobicContact CD1-CE1 4.13Å; I205-F296 HydrophobicContact CD1-CZ 4.38Å; I205-F296 HydrophobicContact CG1-CE1 4.23Å; I205-F296 HydrophobicContact CG1-CE2 4.33Å; I205-F296 HydrophobicContact CG1-CZ 4.02Å; V261-F296 HydrophobicContact CG2-CE2 4.46Å; V261-F296 HydrophobicContact CG2-CZ 4.07Å; Y273-F296 HydrophobicContact CE1-CB 4.02Å; Y273-F296 HydrophobicContact CE1-CD2 4.13Å; Y273-F296 WeakPolarHBondContact OH-CD2 3.45Å; F293-F296 HydrophobicContact CD2-CB 4.05Å; F293-F296 HydrophobicContact CE2-CB 3.85Å; F293-F296 HydrophobicContact CE2-CD1 4.2Å; F293-F296 AromaticContact CE2-CG 3.98Å; F293-F296 HydrophobicContact CE2-CG 3.98Å; F293-F296 HydrophobicContact CZ-CD1 4.38Å; F293-F296 WeakPolarHBondContact O-CB 3.29Å; F293-F296 PolarHBondContact O-N 3.02Å; F296-A298 VanDerWaalsContact C-N 3.34Å; F296-A298 HydrophobicContact CD1-CB 4.19Å; F296-A298 PolarHBondContact O-N 3.47Å; F296-A304 HydrophobicContact CD1-CB 4.41Å; F296-A304 HydrophobicContact CE1-CB 4.4Å; F296-Y347 WeakPolarHBondContact O-CD2 3.44Å |
| 297 | D | 93.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 36.5 Ų | 36.5 | 55% | 0.545 | 17% | 0.17 | S | C | . | . | trans | -70.4 | 89.4 | 178.8 | -173.8 | -0.1 | 0 | 0 | 0 | 110.9 | K299 Y347 | D297-K299 WeakPolarHBondContact OD1-CB 3.35Å; D297-K299 PolarHBondContact OD1-N 2.01Å; D297-Y347 HydrophobicContact CB-CE2 4.42Å; D297-Y347 PolarHBondContact OD1-OH 3.12Å | ||
| 298 | A | 93.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -96.3 | 17.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F296 Q300 S301 A304 Y347 N349 T350 | F296-A298 VanDerWaalsContact C-N 3.34Å; F296-A298 HydrophobicContact CD1-CB 4.19Å; F296-A298 PolarHBondContact O-N 3.47Å; A298-Q300 VanDerWaalsContact C-N 3.27Å; A298-Q300 PolarHBondContact O-N 3.16Å; A298-S301 PolarHBondContact O-N 3.31Å; A298-A304 HydrophobicContact CB-CB 3.73Å; A298-Y347 HydrophobicContact CB-CD1 4.31Å; A298-Y347 HydrophobicContact CB-CG 4.19Å; A298-N349 PolarHBondContact O-ND2 2.7Å; A298-T350 HydrophobicContact CB-CG2 4.19Å | ||
| 299 | K | 91.1 | Very high | 95.6 | Very high | 150 Ų | 150 | 33.6 Ų | 33.6 | 65% | 0.652 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.6 | -173.9 | -175.7 | 177.9 | 174.2 | -176.9 | 0 | 114.2 | D297 S301 Y347 | D297-K299 WeakPolarHBondContact OD1-CB 3.35Å; D297-K299 PolarHBondContact OD1-N 2.01Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-Y347 HydrophobicContact CB-CE1 3.63Å; K299-Y347 HydrophobicContact CG-CE1 4.43Å |
| 300 | Q | 89.3 | Confident | 95.4 | Very high | 155 Ų | 155 | 33.8 Ų | 33.8 | 72% | 0.724 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.8 | -178.5 | -65 | -173.2 | -7.4 | 0 | 0 | 113 | R201 A298 | R201-Q300 WeakPolarHBondContact CD-O 3.1Å; A298-Q300 VanDerWaalsContact C-N 3.27Å; A298-Q300 PolarHBondContact O-N 3.16Å |
| 301 | S | 93.5 | Very high | 95 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | trans | -104.4 | 142 | -179 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | T203 A298 K299 L303 N349 | T203-S301 WeakPolarHBondContact CB-OG 3.37Å; T203-S301 PolarHBondContact OG1-OG 2.7Å; A298-S301 PolarHBondContact O-N 3.31Å; K299-S301 VanDerWaalsContact C-N 3.34Å; S301-L303 WeakPolarHBondContact CB-O 3.47Å; S301-N349 PolarHBondContact O-ND2 2.82Å | ||
| 302 | C | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -62.7 | -41.1 | 163.3 | 166.6 | 0 | 0 | 0 | 0 | 109.6 | C200 R201 C334 C437 F438 | C200-C302 VanDerWaalsContact CA-SG 3.58Å; C200-C302 HydrophobicContact CB-CB 3.97Å; C200-C302 WeakPolarHBondContact CB-SG 3.45Å; C200-C302 WeakPolarHBondContact SG-CB 3.25Å; C200-C302 CovalentContact SG-SG 2.04Å; C200-C302 PolarHBondContact SG-SG 3.26Å; R201-C302 HydrophobicContact CB-CB 4.1Å; R201-C302 VanDerWaalsContact N-CB 3.31Å; R201-C302 WeakPolarHBondContact O-CA 3.28Å; R201-C302 VanDerWaalsContact O-CB 3.29Å; R201-C302 WeakPolarHBondContact O-CB 3.01Å; R201-C302 PolarHBondContact O-N 2.88Å; C302-C334 PolarHBondContact O-N 2.86Å; C302-C437 WeakPolarHBondContact CB-SG 3.24Å; C302-F438 WeakPolarHBondContact SG-CE2 3.2Å |
| 303 | L | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 145.5 | 176.1 | -169.3 | 69.1 | 0 | 0 | 0 | 110.4 | R201 L202 T203 F255 S301 I333 N349 L376 | R201-L303 PolarHBondContact O-N 3.22Å; L202-L303 WeakPolarHBondContact CA-O 3.43Å; L202-L303 HydrophobicContact CD1-CB 4.02Å; L202-L303 HydrophobicContact CD1-CD2 4.17Å; L202-L303 HydrophobicContact CD1-CG 4.21Å; T203-L303 PolarHBondContact N-O 3.17Å; F255-L303 HydrophobicContact CE1-CD2 4.07Å; F255-L303 HydrophobicContact CZ-CD2 4.49Å; S301-L303 WeakPolarHBondContact CB-O 3.47Å; L303-I333 HydrophobicContact CB-CG2 4.33Å; L303-I333 HydrophobicContact CD1-CG2 4.43Å; L303-I333 HydrophobicContact CD2-CG2 4.33Å; L303-N349 HydrophobicContact CD1-CB 4.48Å; L303-N349 WeakPolarHBondContact CD1-O 3.3Å; L303-L376 HydrophobicContact CD2-CD2 3.38Å |
| 304 | A | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T203 I205 F293 F296 A298 N349 T350 G351 | T203-A304 CarbonylContact O-C 3.49Å; T203-A304 WeakPolarHBondContact O-CA 3.27Å; I205-A304 HydrophobicContact CD1-CB 4.16Å; F293-A304 HydrophobicContact CZ-CB 4.29Å; F296-A304 HydrophobicContact CD1-CB 4.41Å; F296-A304 HydrophobicContact CE1-CB 4.4Å; A298-A304 HydrophobicContact CB-CB 3.73Å; A304-N349 PolarHBondContact N-O 3.23Å; A304-T350 HydrophobicContact CB-CG2 4.27Å; A304-T350 VanDerWaalsContact O-CA 3.26Å; A304-T350 WeakPolarHBondContact O-CA 3.32Å; A304-G351 PolarHBondContact O-N 3.12Å; A304-G351 VanDerWaalsContact O-N 3.09Å |
| 305 | H | 98.7 | Very high | 92 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.1 | -177.6 | -157.8 | 86.1 | 0 | 0 | 0 | 111.9 | L202 T203 L204 I205 G351 W352 T353 L376 | L202-H305 HydrophobicContact CD1-CB 4.48Å; T203-H305 PolarHBondContact O-N 2.92Å; L204-H305 HydrophobicContact CD2-CB 3.89Å; I205-H305 WeakPolarHBondContact CD1-O 2.96Å; I205-H305 PolarHBondContact N-O 2.67Å; H305-G351 CarbonylContact C-O 3.53Å; H305-G351 WeakPolarHBondContact CA-O 3.45Å; H305-W352 PolarHBondContact CE1-N 3.08Å; H305-T353 PolarHBondContact NE2-N 3.37Å; H305-T353 PolarHBondContact NE2-OG1 3.33Å; H305-L376 HydrophobicContact CB-CD2 4.45Å |
| 306 | L | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.6 | 178.5 | 175.7 | 68.3 | 0 | 0 | 0 | 110.5 | I205 D207 Y273 L289 F293 G351 W352 T353 | I205-L306 HydrophobicContact CB-CD1 3.97Å; I205-L306 HydrophobicContact CG2-CD1 3.75Å; I205-L306 CarbonylContact O-C 3.4Å; D207-L306 HydrophobicContact CB-CD1 4.18Å; Y273-L306 HydrophobicContact CD2-CD1 3.99Å; Y273-L306 HydrophobicContact CD2-CD2 3.98Å; Y273-L306 HydrophobicContact CE2-CD1 4.15Å; L289-L306 HydrophobicContact CD1-CD2 4.28Å; F293-L306 HydrophobicContact CB-CD2 4.26Å; F293-L306 HydrophobicContact CD1-CB 3.85Å; F293-L306 HydrophobicContact CD2-CB 3.96Å; F293-L306 HydrophobicContact CD2-CD2 4.05Å; F293-L306 HydrophobicContact CD2-CG 4.41Å; F293-L306 HydrophobicContact CE1-CB 3.76Å; F293-L306 HydrophobicContact CE2-CB 3.88Å; F293-L306 HydrophobicContact CE2-CD1 4.46Å; F293-L306 HydrophobicContact CG-CB 3.97Å; F293-L306 HydrophobicContact CG-CD2 4.05Å; F293-L306 HydrophobicContact CZ-CB 3.79Å; L306-G351 PolarHBondContact N-O 3.1Å; L306-W352 HydrophobicContact CB-CB 3.7Å; L306-W352 HydrophobicContact CD2-CB 4.1Å; L306-W352 HydrophobicContact CG-CB 4.22Å; L306-W352 CarbonylContact O-C 3.57Å; L306-W352 VanDerWaalsContact O-CA 3.22Å; L306-W352 WeakPolarHBondContact O-CA 3.39Å; L306-T353 PolarHBondContact O-N 2.94Å |
| 307 | L | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.1 | 166.8 | -54.3 | 175.5 | 0 | 0 | 0 | 107.8 | I205 D207 F210 V226 Y355 T372 | I205-L307 PolarHBondContact O-N 2.95Å; D207-L307 PolarHBondContact N-O 3Å; F210-L307 HydrophobicContact CD2-CB 3.96Å; F210-L307 HydrophobicContact CE2-CB 3.86Å; F210-L307 HydrophobicContact CE2-CD1 4.48Å; F210-L307 HydrophobicContact CG-CB 4.5Å; F210-L307 HydrophobicContact CZ-CB 4.32Å; F210-L307 HydrophobicContact CZ-CD1 4.26Å; V226-L307 HydrophobicContact CG1-CD1 4.4Å; V226-L307 HydrophobicContact CG2-CD1 4.07Å; L307-Y355 HydrophobicContact CD2-CE2 4.2Å; L307-T372 HydrophobicContact CD2-CG2 4.36Å |
| 308 | S | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 164.2 | -174.4 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | D207 K310 T353 T354 Y355 | D207-S308 WeakPolarHBondContact OD2-CA 3.31Å; D207-S308 VanDerWaalsContact OD2-CB 3.29Å; D207-S308 WeakPolarHBondContact OD2-CB 3.43Å; D207-S308 PolarHBondContact OD2-OG 3.19Å; S308-K310 WeakPolarHBondContact OG-CB 3.42Å; S308-K310 VanDerWaalsContact OG-CG 3.27Å; S308-K310 WeakPolarHBondContact OG-CG 3.35Å; S308-K310 PolarHBondContact OG-N 3.38Å; S308-T353 PolarHBondContact N-O 2.86Å; S308-T354 CarbonylContact O-C 3.49Å; S308-T354 WeakPolarHBondContact O-CA 3.43Å; S308-Y355 PolarHBondContact O-N 3.1Å |
| 309 | Y | 94.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | trans | -127.6 | 28.2 | 170.9 | -158.3 | -82.9 | 0 | 0 | 0 | 109.9 | N213 V356 Q362 | N213-Y309 HydrophobicContact CB-CD1 3.72Å; N213-Y309 HydrophobicContact CB-CD2 3.97Å; N213-Y309 HydrophobicContact CB-CE1 3.47Å; N213-Y309 VanDerWaalsContact CB-CE1 3.47Å; N213-Y309 HydrophobicContact CB-CE2 3.72Å; N213-Y309 HydrophobicContact CB-CG 3.98Å; N213-Y309 VanDerWaalsContact CB-CZ 3.48Å; N213-Y309 VanDerWaalsContact CG-CE1 3.5Å; N213-Y309 WeakPolarHBondContact ND2-CD1 3.42Å; Y309-V356 HydrophobicContact CD1-CG1 3.3Å; Y309-V356 HydrophobicContact CD2-CG1 4Å; Y309-V356 HydrophobicContact CE1-CG1 3.1Å; Y309-V356 HydrophobicContact CE2-CG1 3.85Å; Y309-V356 HydrophobicContact CG-CG1 3.73Å; Y309-V356 WeakPolarHBondContact O-CG2 3.39Å; Y309-Q362 HydrophobicContact CE2-CB 4.43Å; Y309-Q362 HydrophobicContact CE2-CG 3.91Å; Y309-Q362 WeakPolarHBondContact OH-CB 3.39Å; Y309-Q362 WeakPolarHBondContact OH-CG 3.43Å; Y309-Q362 PolarHBondContact OH-OE1 2.91Å | ||
| 310 | K | 92.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | trans | -86.8 | 142.6 | -179 | -71.1 | 175.7 | -173.3 | -56.7 | 0 | 112.2 | D207 D209 Y273 S275 W284 L289 S308 T354 V356 | D207-K310 WeakPolarHBondContact OD2-CE 3Å; D209-K310 IonicContact OD2-NZ 3.32Å; Y273-K310 WeakPolarHBondContact O-CE 3.04Å; S275-K310 WeakPolarHBondContact O-CE 3.32Å; S275-K310 PolarHBondContact O-NZ 3.22Å; W284-K310 HydrophobicContact CG-CD 4.47Å; L289-K310 HydrophobicContact CD1-CD 4.38Å; L289-K310 HydrophobicContact CD2-CD 4.48Å; S308-K310 WeakPolarHBondContact OG-CB 3.42Å; S308-K310 VanDerWaalsContact OG-CG 3.27Å; S308-K310 WeakPolarHBondContact OG-CG 3.35Å; S308-K310 PolarHBondContact OG-N 3.38Å; K310-T354 PolarHBondContact N-OG1 3.31Å; K310-T354 WeakPolarHBondContact O-CB 3.1Å; K310-T354 PolarHBondContact O-OG1 2.79Å; K310-V356 VanDerWaalsContact C-CG2 3.44Å; K310-V356 VanDerWaalsContact O-CG2 3.28Å; K310-V356 WeakPolarHBondContact O-CG2 3.49Å | ||
| 311 | R | 89.3 | Confident | 91.3 | Very high | 130 Ų | 130 | 19.8 Ų | 19.8 | 49% | 0.491 | 10% | 0.097 | S | C | . | . | trans | -77.1 | 138.3 | 167.8 | -57.3 | -177.3 | -52.1 | 178.6 | 7.9 | 110.1 | V356 | R311-V356 HydrophobicContact CG-CG2 4.2Š| ||
| 312 | I | 84.9 | Confident | 91.2 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -117 | 129.8 | -178.3 | -55.2 | -62.8 | 0 | 0 | 0 | 108.6 | W284 A286 L289 E314 G315 I316 W352 T354 Y358 | W284-I312 HydrophobicContact CB-CD1 3.88Å; W284-I312 WeakPolarHBondContact O-CA 3.26Å; A286-I312 HydrophobicContact CB-CG2 4.06Å; L289-I312 HydrophobicContact CD2-CD1 3.75Å; I312-E314 VanDerWaalsContact C-N 3.26Å; I312-E314 VanDerWaalsContact CG2-OE2 3.29Å; I312-E314 WeakPolarHBondContact CG2-OE2 3.37Å; I312-E314 PolarHBondContact O-N 3.43Å; I312-G315 PolarHBondContact O-N 3.45Å; I312-I316 WeakPolarHBondContact CB-O 3.48Å; I312-I316 HydrophobicContact CG2-CB 4.34Å; I312-W352 HydrophobicContact CD1-CH2 3.86Å; I312-W352 HydrophobicContact CD1-CZ2 4.31Å; I312-W352 HydrophobicContact CD1-CZ3 4.18Å; I312-W352 HydrophobicContact CG1-CH2 3.58Å; I312-W352 HydrophobicContact CG1-CZ2 4.4Å; I312-W352 HydrophobicContact CG1-CZ3 3.96Å; I312-W352 HydrophobicContact CG2-CH2 4.49Å; I312-T354 HydrophobicContact CG1-CG2 4.38Å; I312-Y358 WeakPolarHBondContact O-CD2 2.92Å |
| 313 | D | 83.3 | Confident | 91.1 | Very high | 82 Ų | 82 | 20.2 Ų | 20.2 | 44% | 0.439 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36 | -172.2 | -164.6 | 48.5 | 0 | 0 | 0 | 112.5 | I283 W284 G315 Y358 | I283-D313 HydrophobicContact CB-CB 4.47Å; I283-D313 HydrophobicContact CG2-CB 3.97Å; W284-D313 PolarHBondContact O-N 3.28Å; D313-G315 VanDerWaalsContact C-N 3.28Å; D313-G315 PolarHBondContact O-N 2.69Å; D313-Y358 WeakPolarHBondContact O-CD2 3.49Å; D313-Y358 WeakPolarHBondContact O-CE2 3.49Å |
| 314 | E | 75.2 | Confident | 90.8 | Very high | 84 Ų | 84 | 21.2 Ų | 21.2 | 39% | 0.393 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.7 | 178.2 | -52.5 | 106.7 | 137.2 | 0 | 0 | 114.2 | T285 A286 I312 I316 | T285-E314 WeakPolarHBondContact CA-OE2 3.38Å; T285-E314 WeakPolarHBondContact CB-OE1 3.27Å; A286-E314 PolarHBondContact N-OE2 2.63Å; I312-E314 VanDerWaalsContact C-N 3.26Å; I312-E314 VanDerWaalsContact CG2-OE2 3.29Å; I312-E314 WeakPolarHBondContact CG2-OE2 3.37Å; I312-E314 PolarHBondContact O-N 3.43Å; E314-I316 HydrophobicContact CB-CD1 3.78Å; E314-I316 HydrophobicContact CB-CG1 3.85Å; E314-I316 HydrophobicContact CG-CD1 4.36Å; E314-I316 PolarHBondContact O-N 3.25Å |
| 315 | G | 75.5 | Confident | 90.3 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | trans | 69 | 14.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I312 D313 | I312-G315 PolarHBondContact O-N 3.45Å; D313-G315 VanDerWaalsContact C-N 3.28Å; D313-G315 PolarHBondContact O-N 2.69Å | ||
| 316 | I | 80.2 | Confident | 89.8 | Confident | 23 Ų | 23 | 27 Ų | 27 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | trans | -73.8 | 130.6 | 175.3 | -66.7 | 171.8 | 0 | 0 | 0 | 108.7 | M166 A286 I312 E314 G318 M319 W352 | M166-I316 HydrophobicContact CE-CB 4.39Å; M166-I316 HydrophobicContact CE-CG1 4.44Å; M166-I316 HydrophobicContact CE-CG2 4.02Å; M166-I316 HydrophobicContact SD-CB 4.45Å; M166-I316 HydrophobicContact SD-CG1 3.88Å; M166-I316 HydrophobicContact SD-CG2 4.27Å; A286-I316 HydrophobicContact CB-CB 3.86Å; A286-I316 HydrophobicContact CB-CD1 3.64Å; A286-I316 HydrophobicContact CB-CG1 4.33Å; A286-I316 HydrophobicContact CB-CG2 3.76Å; I312-I316 WeakPolarHBondContact CB-O 3.48Å; I312-I316 HydrophobicContact CG2-CB 4.34Å; E314-I316 HydrophobicContact CB-CD1 3.78Å; E314-I316 HydrophobicContact CB-CG1 3.85Å; E314-I316 HydrophobicContact CG-CD1 4.36Å; E314-I316 PolarHBondContact O-N 3.25Å; I316-G318 WeakPolarHBondContact CG2-O 3.39Å; I316-M319 HydrophobicContact CD1-CE 4.42Å; I316-W352 HydrophobicContact CG2-CH2 4.45Å | ||
| 317 | L | 86.4 | Confident | 88.7 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | trans | -95.3 | -13.5 | -173 | -57.4 | -179.9 | 0 | 0 | 0 | 114.1 | L162 T353 T354 V356 L363 I371 | L162-L317 HydrophobicContact CD2-CD1 3.72Å; L162-L317 HydrophobicContact CD2-CG 4.16Å; L317-T353 CarbonylContact O-C 3.53Å; L317-T353 WeakPolarHBondContact O-CA 3.43Å; L317-T354 HydrophobicContact CB-CG2 4.39Å; L317-T354 HydrophobicContact CD2-CG2 4.05Å; L317-T354 PolarHBondContact O-N 3.4Å; L317-V356 WeakPolarHBondContact CD2-O 3.31Å; L317-L363 HydrophobicContact CD1-CD1 3.97Å; L317-L363 HydrophobicContact CD2-CD1 4.22Å; L317-I371 HydrophobicContact CB-CD1 3.79Å; L317-I371 HydrophobicContact CB-CG2 4.2Å; L317-I371 HydrophobicContact CD1-CD1 3.43Å; L317-I371 VanDerWaalsContact CD1-CD1 3.43Å; L317-I371 HydrophobicContact CG-CD1 4.26Å | ||
| 318 | G | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 159.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I316 W352 E375 | I316-G318 WeakPolarHBondContact CG2-O 3.39Å; G318-W352 CarbonylContact C-O 3.52Å; G318-W352 WeakPolarHBondContact CA-O 3.38Å; G318-E375 VanDerWaalsContact C-CD 3.47Å; G318-E375 VanDerWaalsContact C-OE1 3.22Å |
| 319 | M | 92.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.044 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 137.7 | 173.6 | -153.4 | 179.1 | -107 | 0 | 0 | 111.4 | Y168 A286 T287 L290 I316 G351 W352 E375 | Y168-M319 HydrophobicContact CE2-CE 3.68Å; Y168-M319 HydrophobicContact CE2-CG 4.43Å; Y168-M319 WeakPolarHBondContact OH-CG 3Å; A286-M319 VanDerWaalsContact C-SD 3.59Å; A286-M319 HydrophobicContact CB-CE 3.44Å; A286-M319 VanDerWaalsContact CB-CE 3.44Å; A286-M319 HydrophobicContact CB-SD 3.98Å; T287-M319 HydrophobicContact CG2-CE 3.99Å; T287-M319 HydrophobicContact CG2-SD 4.11Å; L290-M319 HydrophobicContact CB-SD 4.16Å; L290-M319 HydrophobicContact CD2-CB 4.36Å; L290-M319 HydrophobicContact CD2-CG 3.84Å; L290-M319 HydrophobicContact CD2-SD 3.83Å; I316-M319 HydrophobicContact CD1-CE 4.42Å; M319-G351 CarbonylContact O-C 3.55Å; M319-G351 VanDerWaalsContact O-CA 3.29Å; M319-G351 WeakPolarHBondContact O-CA 3.21Å; M319-W352 HydrophobicContact CB-CZ2 3.87Å; M319-W352 PolarHBondContact N-O 2.89Å; M319-W352 PolarHBondContact O-N 2.73Å; M319-E375 VanDerWaalsContact C-OE2 3.26Å; M319-E375 VanDerWaalsContact CA-OE2 3.29Å; M319-E375 WeakPolarHBondContact CA-OE2 3.05Å; M319-E375 PolarHBondContact N-OE2 2.94Å |
| 320 | S | 95.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 158.1 | -179.7 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | E375 H378 S379 | S320-E375 WeakPolarHBondContact CB-O 2.69Å; S320-E375 WeakPolarHBondContact CB-OE2 3.47Å; S320-E375 PolarHBondContact N-OE2 2.73Å; S320-E375 VanDerWaalsContact N-OE2 3.08Å; S320-E375 PolarHBondContact OG-O 3.32Å; S320-E375 PolarHBondContact OG-OE2 3.17Å; S320-H378 VanDerWaalsContact OG-CB 3.22Å; S320-H378 WeakPolarHBondContact OG-CB 3.3Å; S320-S379 WeakPolarHBondContact CB-OG 3.48Å |
| 321 | W | 96.6 | Very high | 87.2 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.038 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 125.9 | 170.7 | -68.1 | 108.4 | 0 | 0 | 0 | 110.8 | A175 L290 S294 G332 L348 T350 S379 | A175-W321 HydrophobicContact CB-CH2 3.49Å; A175-W321 VanDerWaalsContact CB-CH2 3.49Å; A175-W321 HydrophobicContact CB-CZ3 3.79Å; L290-W321 HydrophobicContact CD2-CD2 4.26Å; L290-W321 HydrophobicContact CD2-CZ2 4.34Å; L290-W321 HydrophobicContact CG-CZ2 4.45Å; S294-W321 PolarHBondContact OG-NE1 2.88Å; W321-G332 VanDerWaalsContact O-CA 3.22Å; W321-G332 WeakPolarHBondContact O-CA 3.28Å; W321-G332 PolarHBondContact O-N 2.95Å; W321-L348 WeakPolarHBondContact CB-O 3.41Å; W321-L348 HydrophobicContact CD2-CB 4.37Å; W321-L348 HydrophobicContact CD2-CD2 3.96Å; W321-L348 VanDerWaalsContact CE2-CD2 3.45Å; W321-L348 HydrophobicContact CE3-CD2 4.45Å; W321-L348 HydrophobicContact CG-CB 4.19Å; W321-L348 HydrophobicContact CG-CD2 4.47Å; W321-L348 HydrophobicContact CH2-CD2 4.03Å; W321-L348 HydrophobicContact CZ2-CD2 3.52Å; W321-L348 HydrophobicContact CZ3-CD2 4.48Å; W321-T350 PolarHBondContact N-O 3.01Å; W321-S379 WeakPolarHBondContact O-CA 2.79Å |
| 322 | L | 92.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 129.5 | 179.1 | 179.9 | 66 | 0 | 0 | 0 | 111.5 | G331 H378 A382 D383 | L322-G331 CarbonylContact O-C 3.57Å; L322-G331 WeakPolarHBondContact O-CA 3.5Å; L322-H378 WeakPolarHBondContact CA-O 3.5Å; L322-H378 HydrophobicContact CD1-CB 4.48Å; L322-H378 WeakPolarHBondContact CD1-O 3.18Å; L322-A382 WeakPolarHBondContact CD1-O 3.28Å; L322-D383 WeakPolarHBondContact CD2-OD1 3.46Å |
| 323 | A | 94.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 151.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G331 I333 H378 S379 G381 | A323-G331 WeakPolarHBondContact CA-O 3.37Å; A323-I333 HydrophobicContact CB-CG1 4.09Å; A323-H378 PolarHBondContact N-O 3.14Å; A323-H378 VanDerWaalsContact N-O 3.13Å; A323-S379 WeakPolarHBondContact CB-O 3.07Å; A323-G381 WeakPolarHBondContact O-CA 3.2Å |
| 324 | S | 92 | Very high | 88.6 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | trans | -127.2 | 143.7 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 111 | D326 K329 C429 R433 | S324-D326 PolarHBondContact O-N 3.2Å; S324-D326 PolarHBondContact OG-N 3.02Å; S324-K329 WeakPolarHBondContact OG-CD 2.89Å; S324-C429 VanDerWaalsContact C-SG 3.51Å; S324-R433 VanDerWaalsContact O-CZ 3.23Å; S324-R433 PolarHBondContact O-NE 2.94Å; S324-R433 PolarHBondContact O-NH2 3.48Å | ||
| 325 | P | 87.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 29.8 Ų | 29.8 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -64.7 | -25.2 | 174.6 | 27.2 | -34.9 | 0 | 0 | 0 | 111.5 | P327 A428 C429 T432 | P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.26Å; P325-A428 HydrophobicContact CB-CB 4.37Å; P325-C429 WeakPolarHBondContact CD-SG 3.08Å; P325-C429 VanDerWaalsContact N-SG 3.36Å; P325-T432 WeakPolarHBondContact O-CB 3.32Å; P325-T432 WeakPolarHBondContact O-CG2 3.27Å; P325-T432 PolarHBondContact O-OG1 3.31Å |
| 326 | D | 87.1 | Confident | 90.1 | Very high | 61 Ų | 61 | 31.1 Ų | 31.1 | 33% | 0.326 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -74.4 | 112.3 | 170.8 | -177.7 | -1.6 | 0 | 0 | 0 | 110 | S324 K328 K329 | S324-D326 PolarHBondContact O-N 3.2Å; S324-D326 PolarHBondContact OG-N 3.02Å; D326-K328 PolarHBondContact O-N 2.97Å; D326-K328 VanDerWaalsContact O-N 3.1Å; D326-K328 VanDerWaalsContact OD1-CB 3.29Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 WeakPolarHBondContact OD1-CG 3.32Å; D326-K328 PolarHBondContact OD1-N 3.01Å; D326-K329 HydrophobicContact CB-CB 4.45Å; D326-K329 HydrophobicContact CB-CD 4.2Å; D326-K329 HydrophobicContact CB-CG 4.2Å; D326-K329 PolarHBondContact O-N 3.26Å |
| 327 | P | 75.9 | Confident | 90.5 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12 | -179.7 | 28.3 | -35.7 | 0 | 0 | 0 | 113.5 | P325 | P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.26Å |
| 328 | K | 81.1 | Confident | 90.6 | Very high | 143 Ų | 143 | 32.2 Ų | 32.2 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.4 | 172.5 | -60.8 | 176.9 | -178.7 | 175.3 | 0 | 112.4 | I185 D326 | I185-K328 HydrophobicContact CD1-CG 4.02Å; D326-K328 PolarHBondContact O-N 2.97Å; D326-K328 VanDerWaalsContact O-N 3.1Å; D326-K328 VanDerWaalsContact OD1-CB 3.29Å; D326-K328 WeakPolarHBondContact OD1-CB 3.49Å; D326-K328 WeakPolarHBondContact OD1-CG 3.32Å; D326-K328 PolarHBondContact OD1-N 3.01Å |
| 329 | K | 87.1 | Confident | 90.1 | Very high | 122 Ų | 122 | 39 Ų | 39 | 53% | 0.53 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -85.7 | 113.8 | 177.4 | -69.6 | -178.6 | -178.4 | 179 | 0 | 109 | S324 D326 R433 | S324-K329 WeakPolarHBondContact OG-CD 2.89Å; D326-K329 HydrophobicContact CB-CB 4.45Å; D326-K329 HydrophobicContact CB-CD 4.2Å; D326-K329 HydrophobicContact CB-CG 4.2Å; D326-K329 PolarHBondContact O-N 3.26Å; K329-R433 PolarHBondContact O-NH2 3.19Å |
| 330 | L | 91.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | trans | -80.1 | 153.1 | -177.5 | -56.9 | 176.8 | 0 | 0 | 0 | 111.3 | I183 V338 L348 | I183-L330 HydrophobicContact CG1-CD1 4.44Å; I183-L330 HydrophobicContact CG2-CD1 4.46Å; L330-V338 HydrophobicContact CD1-CG2 3.38Å; L330-L348 HydrophobicContact CB-CD1 3.72Å; L330-L348 HydrophobicContact CD1-CD1 4.46Å | ||
| 331 | G | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 132.3 | 150 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | L322 A323 S335 L348 R433 | L322-G331 CarbonylContact O-C 3.57Å; L322-G331 WeakPolarHBondContact O-CA 3.5Å; A323-G331 WeakPolarHBondContact CA-O 3.37Å; G331-S335 PolarHBondContact N-OG 3.01Å; G331-L348 CarbonylContact C-O 3.51Å; G331-L348 WeakPolarHBondContact CA-O 3.36Å; G331-R433 PolarHBondContact O-NH1 3.04Å | ||
| 332 | G | 95.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 62.6 | -152.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W321 S335 L348 N349 S379 | W321-G332 VanDerWaalsContact O-CA 3.22Å; W321-G332 WeakPolarHBondContact O-CA 3.28Å; W321-G332 PolarHBondContact O-N 2.95Å; G332-S335 VanDerWaalsContact O-CB 3.3Å; G332-S335 WeakPolarHBondContact O-CB 3.32Å; G332-S335 PolarHBondContact O-N 3.45Å; G332-L348 PolarHBondContact N-O 3.17Å; G332-N349 VanDerWaalsContact O-CA 3.26Å; G332-N349 WeakPolarHBondContact O-CA 3.44Å; G332-N349 WeakPolarHBondContact O-CB 3.37Å; G332-S379 CarbonylContact C-O 3.46Å; G332-S379 VanDerWaalsContact CA-O 3.31Å; G332-S379 WeakPolarHBondContact CA-O 3.33Å |
| 333 | I | 96.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 139.1 | -175.2 | 56.5 | 171.6 | 0 | 0 | 0 | 112.9 | L303 A323 S335 S379 W380 L430 R433 F438 | L303-I333 HydrophobicContact CB-CG2 4.33Å; L303-I333 HydrophobicContact CD1-CG2 4.43Å; L303-I333 HydrophobicContact CD2-CG2 4.33Å; A323-I333 HydrophobicContact CB-CG1 4.09Å; I333-S335 PolarHBondContact O-N 3.01Å; I333-S379 WeakPolarHBondContact CG2-O 3.28Å; I333-S379 PolarHBondContact N-O 2.72Å; I333-W380 HydrophobicContact CD1-CD2 4.44Å; I333-W380 HydrophobicContact CD1-CG 4.34Å; I333-W380 HydrophobicContact CG2-CG 4.2Å; I333-L430 HydrophobicContact CD1-CD2 4.15Å; I333-R433 HydrophobicContact CD1-CB 3.98Å; I333-R433 HydrophobicContact CG1-CB 4.08Å; I333-R433 HydrophobicContact CG1-CG 4.33Å; I333-R433 PolarHBondContact O-NH1 3.4Å; I333-F438 HydrophobicContact CB-CE2 4.49Å; I333-F438 HydrophobicContact CD1-CE2 4.05Å; I333-F438 HydrophobicContact CD1-CZ 3.96Å |
| 334 | C | 94.8 | Very high | 83.4 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 18.1 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 114.9 | C302 S336 R433 L436 C437 | C302-C334 PolarHBondContact O-N 2.86Å; C334-S336 PolarHBondContact O-N 3.18Å; C334-R433 PolarHBondContact SG-O 3.03Å; C334-L436 HydrophobicContact CB-CB 3.99Å; C334-L436 HydrophobicContact CB-CD1 4.31Å; C334-C437 WeakPolarHBondContact CA-SG 3.45Å; C334-C437 HydrophobicContact CB-CB 3.86Å; C334-C437 WeakPolarHBondContact CB-SG 3.43Å; C334-C437 WeakPolarHBondContact SG-CB 3.29Å; C334-C437 CovalentContact SG-SG 2.04Å; C334-C437 PolarHBondContact SG-SG 3.36Å |
| 335 | S | 93.6 | Very high | 83.1 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 133.6 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | G331 G332 I333 | G331-S335 PolarHBondContact N-OG 3.01Å; G332-S335 VanDerWaalsContact O-CB 3.3Å; G332-S335 WeakPolarHBondContact O-CB 3.32Å; G332-S335 PolarHBondContact O-N 3.45Å; I333-S335 PolarHBondContact O-N 3.01Å |
| 336 | S | 88.5 | Confident | 83.2 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 150.8 | 173 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | C334 | C334-S336 PolarHBondContact O-N 3.18Š|
| 337 | P | 88.1 | Confident | 83.6 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 143.5 | 177.2 | 26.6 | -33.5 | 0 | 0 | 0 | 111.5 | D345 L346 Y347 | P337-D345 HydrophobicContact CB-CB 4.2Å; P337-L346 WeakPolarHBondContact CA-O 3.43Å; P337-Y347 HydrophobicContact CB-CD1 3.96Å; P337-Y347 HydrophobicContact CB-CE1 3.71Å; P337-Y347 HydrophobicContact CG-CE1 4.32Å |
| 338 | V | 87 | Confident | 84.6 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -91.3 | 115 | 172.6 | -180 | 0 | 0 | 0 | 0 | 108.7 | F181 L330 L346 L348 | F181-V338 HydrophobicContact CB-CG1 3.82Å; F181-V338 HydrophobicContact CD1-CG1 3.09Å; F181-V338 HydrophobicContact CD2-CG1 4.39Å; F181-V338 HydrophobicContact CE1-CG1 3.58Å; F181-V338 HydrophobicContact CG-CG1 3.54Å; F181-V338 HydrophobicContact CZ-CG1 4.41Å; L330-V338 HydrophobicContact CD1-CG2 3.38Å; V338-L346 HydrophobicContact CB-CB 4.26Å; V338-L346 PolarHBondContact N-O 3.05Å; V338-L346 PolarHBondContact O-N 2.86Å; V338-L348 HydrophobicContact CG2-CD1 3.64Å; V338-L348 HydrophobicContact CG2-CG 4.05Å |
| 339 | R | 80.3 | Confident | 85.3 | Confident | 142 Ų | 142 | 57 Ų | 57 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 128.3 | 173.9 | -78.8 | 167.2 | 177.1 | 173.2 | -1.9 | 109.7 | D345 | R339-D345 VanDerWaalsContact CG-OD1 3.23Å; R339-D345 WeakPolarHBondContact CG-OD1 3.39Å |
| 340 | R | 69 | Low | 85.9 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 27% | 0.272 | 25% | 0.25 | S | C | . | . | trans | -100.7 | 140.5 | 169.1 | -78.3 | -172.1 | 78 | 171.4 | 12.8 | 109.8 | D179 F181 N342 K343 | D179-R340 VanDerWaalsContact CG-NH2 3.33Å; D179-R340 IonicContact OD1-CZ 3.92Å; D179-R340 IonicContact OD1-NH2 3.07Å; D179-R340 PolarHBondContact OD1-NH2 3.19Å; D179-R340 VanDerWaalsContact OD1-NH2 3.07Å; D179-R340 IonicContact OD2-CZ 3.02Å; D179-R340 IonicContact OD2-NE 2.81Å; D179-R340 IonicContact OD2-NH1 2.7Å; D179-R340 IonicContact OD2-NH2 2.79Å; D179-R340 PolarHBondContact OD2-NH2 2.76Å; F181-R340 HydrophobicContact CD1-CG 4.02Å; F181-R340 HydrophobicContact CE1-CG 3.59Å; R340-N342 PolarHBondContact O-N 3.41Å; R340-K343 HydrophobicContact CB-CB 3.78Å; R340-K343 VanDerWaalsContact NH2-NZ 3.17Å; R340-K343 PolarHBondContact O-N 2.91Å; R340-K343 VanDerWaalsContact O-N 3.11Å | ||
| 341 | N | 62.8 | Low | 86.2 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 110.8 | 171.7 | -69.3 | -20 | 0 | 0 | 0 | 110.3 | K343 | N341-K343 VanDerWaalsContact C-N 3.27Å; N341-K343 PolarHBondContact O-N 2.75Å |
| 342 | N | 61.7 | Low | 86.4 | Confident | 177 Ų | 177 | 49.9 Ų | 49.9 | 95% | 0.947 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17.6 | 179.7 | -65 | -8.9 | 0 | 0 | 0 | 117.4 | R340 | R340-N342 PolarHBondContact O-N 3.41Š|
| 343 | K | 66.3 | Low | 86.4 | Confident | 125 Ų | 125 | 49.9 Ų | 49.9 | 54% | 0.543 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -120.4 | 168 | 177 | -66.7 | 179.9 | -174.8 | 177.3 | 0 | 111.5 | R340 N341 | R340-K343 HydrophobicContact CB-CB 3.78Å; R340-K343 VanDerWaalsContact NH2-NZ 3.17Å; R340-K343 PolarHBondContact O-N 2.91Å; R340-K343 VanDerWaalsContact O-N 3.11Å; N341-K343 VanDerWaalsContact C-N 3.27Å; N341-K343 PolarHBondContact O-N 2.75Å |
| 344 | K | 72.9 | Confident | 86.3 | Confident | 181 Ų | 181 | 49.9 Ų | 49.9 | 79% | 0.787 | 24% | 0.243 | S | C | * | . | trans | -57.1 | 142.9 | 172.1 | -67.4 | -177.6 | 177.7 | 179.6 | 0 | 110.5 | ||||
| 345 | D | 84.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | trans | -57.5 | 142.3 | 174.3 | -72.5 | -10.6 | 0 | 0 | 0 | 110.7 | P337 R339 Y347 | P337-D345 HydrophobicContact CB-CB 4.2Å; R339-D345 VanDerWaalsContact CG-OD1 3.23Å; R339-D345 WeakPolarHBondContact CG-OD1 3.39Å; D345-Y347 HydrophobicContact CB-CE2 3.89Å | ||
| 346 | L | 90.7 | Very high | 86 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -104.8 | 128 | 174.5 | -168.2 | 77.7 | 0 | 0 | 0 | 109.4 | S294 R295 P337 V338 L348 | S294-L346 VanDerWaalsContact CB-CD1 3.46Å; R295-L346 HydrophobicContact CG-CD1 4.19Å; P337-L346 WeakPolarHBondContact CA-O 3.43Å; V338-L346 HydrophobicContact CB-CB 4.26Å; V338-L346 PolarHBondContact N-O 3.05Å; V338-L346 PolarHBondContact O-N 2.86Å; L346-L348 HydrophobicContact CD2-CD2 3.73Å; L346-L348 HydrophobicContact CG-CD2 4.03Å |
| 347 | Y | 95.6 | Very high | 85.7 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | trans | -105.9 | 104.8 | -174.5 | -66.6 | -84 | 0 | 0 | 0 | 110.3 | S294 F296 D297 A298 K299 P337 D345 N349 T350 | S294-Y347 PolarHBondContact O-N 2.79Å; F296-Y347 WeakPolarHBondContact O-CD2 3.44Å; D297-Y347 HydrophobicContact CB-CE2 4.42Å; D297-Y347 PolarHBondContact OD1-OH 3.12Å; A298-Y347 HydrophobicContact CB-CD1 4.31Å; A298-Y347 HydrophobicContact CB-CG 4.19Å; K299-Y347 HydrophobicContact CB-CE1 3.63Å; K299-Y347 HydrophobicContact CG-CE1 4.43Å; P337-Y347 HydrophobicContact CB-CD1 3.96Å; P337-Y347 HydrophobicContact CB-CE1 3.71Å; P337-Y347 HydrophobicContact CG-CE1 4.32Å; D345-Y347 HydrophobicContact CB-CE2 3.89Å; Y347-N349 VanDerWaalsContact C-N 3.26Å; Y347-N349 WeakPolarHBondContact CB-OD1 3.4Å; Y347-N349 PolarHBondContact O-N 2.88Å; Y347-T350 WeakPolarHBondContact O-CG2 3.43Å; Y347-T350 PolarHBondContact O-OG1 3.32Å | ||
| 348 | L | 96.1 | Very high | 85.2 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -87.6 | 8.3 | -178.1 | -53.2 | -176.1 | 0 | 0 | 0 | 113.2 | W321 L330 G331 G332 V338 L346 T350 | W321-L348 WeakPolarHBondContact CB-O 3.41Å; W321-L348 HydrophobicContact CD2-CB 4.37Å; W321-L348 HydrophobicContact CD2-CD2 3.96Å; W321-L348 VanDerWaalsContact CE2-CD2 3.45Å; W321-L348 HydrophobicContact CE3-CD2 4.45Å; W321-L348 HydrophobicContact CG-CB 4.19Å; W321-L348 HydrophobicContact CG-CD2 4.47Å; W321-L348 HydrophobicContact CH2-CD2 4.03Å; W321-L348 HydrophobicContact CZ2-CD2 3.52Å; W321-L348 HydrophobicContact CZ3-CD2 4.48Å; L330-L348 HydrophobicContact CB-CD1 3.72Å; L330-L348 HydrophobicContact CD1-CD1 4.46Å; G331-L348 CarbonylContact C-O 3.51Å; G331-L348 WeakPolarHBondContact CA-O 3.36Å; G332-L348 PolarHBondContact N-O 3.17Å; V338-L348 HydrophobicContact CG2-CD1 3.64Å; V338-L348 HydrophobicContact CG2-CG 4.05Å; L346-L348 HydrophobicContact CD2-CD2 3.73Å; L346-L348 HydrophobicContact CG-CD2 4.03Å; L348-T350 PolarHBondContact O-N 3.09Å |
| 349 | N | 96.8 | Very high | 84.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -91.4 | 44.5 | 167.4 | 63.6 | -35.3 | 0 | 0 | 0 | 110.7 | A298 S301 L303 A304 G332 Y347 | A298-N349 PolarHBondContact O-ND2 2.7Å; S301-N349 PolarHBondContact O-ND2 2.82Å; L303-N349 HydrophobicContact CD1-CB 4.48Å; L303-N349 WeakPolarHBondContact CD1-O 3.3Å; A304-N349 PolarHBondContact N-O 3.23Å; G332-N349 VanDerWaalsContact O-CA 3.26Å; G332-N349 WeakPolarHBondContact O-CA 3.44Å; G332-N349 WeakPolarHBondContact O-CB 3.37Å; Y347-N349 VanDerWaalsContact C-N 3.26Å; Y347-N349 WeakPolarHBondContact CB-OD1 3.4Å; Y347-N349 PolarHBondContact O-N 2.88Å |
| 350 | T | 98.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.8 | -174.2 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | F293 S294 A298 A304 W321 Y347 L348 | F293-T350 HydrophobicContact CD1-CG2 4.16Å; F293-T350 HydrophobicContact CE1-CG2 3.86Å; F293-T350 HydrophobicContact CZ-CG2 4.41Å; S294-T350 PolarHBondContact OG-OG1 3.16Å; S294-T350 VanDerWaalsContact OG-OG1 3.1Å; A298-T350 HydrophobicContact CB-CG2 4.19Å; A304-T350 HydrophobicContact CB-CG2 4.27Å; A304-T350 VanDerWaalsContact O-CA 3.26Å; A304-T350 WeakPolarHBondContact O-CA 3.32Å; W321-T350 PolarHBondContact N-O 3.01Å; Y347-T350 WeakPolarHBondContact O-CG2 3.43Å; Y347-T350 PolarHBondContact O-OG1 3.32Å; L348-T350 PolarHBondContact O-N 3.09Å |
| 351 | G | 97.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F293 A304 H305 L306 M319 | F293-G351 WeakPolarHBondContact CD1-O 3.25Å; F293-G351 WeakPolarHBondContact CE1-O 3.27Å; A304-G351 PolarHBondContact O-N 3.12Å; A304-G351 VanDerWaalsContact O-N 3.09Å; H305-G351 CarbonylContact C-O 3.53Å; H305-G351 WeakPolarHBondContact CA-O 3.45Å; L306-G351 PolarHBondContact N-O 3.1Å; M319-G351 CarbonylContact O-C 3.55Å; M319-G351 VanDerWaalsContact O-CA 3.29Å; M319-G351 WeakPolarHBondContact O-CA 3.21Å |
| 352 | W | 98.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.6 | 176.2 | 70.6 | -92.7 | 0 | 0 | 0 | 112 | A286 L289 H305 L306 I312 I316 G318 M319 T354 | A286-W352 HydrophobicContact CB-CZ2 3.89Å; A286-W352 PolarHBondContact O-NE1 3.16Å; L289-W352 HydrophobicContact CD2-CD2 3.64Å; L289-W352 HydrophobicContact CD2-CE3 3.79Å; L289-W352 HydrophobicContact CD2-CG 4.13Å; L289-W352 HydrophobicContact CD2-CZ2 4.37Å; L289-W352 HydrophobicContact CD2-CZ3 4.26Å; L289-W352 HydrophobicContact CG-CD2 4.17Å; L289-W352 HydrophobicContact CG-CG 4.23Å; H305-W352 PolarHBondContact CE1-N 3.08Å; L306-W352 HydrophobicContact CB-CB 3.7Å; L306-W352 HydrophobicContact CD2-CB 4.1Å; L306-W352 HydrophobicContact CG-CB 4.22Å; L306-W352 CarbonylContact O-C 3.57Å; L306-W352 VanDerWaalsContact O-CA 3.22Å; L306-W352 WeakPolarHBondContact O-CA 3.39Å; I312-W352 HydrophobicContact CD1-CH2 3.86Å; I312-W352 HydrophobicContact CD1-CZ2 4.31Å; I312-W352 HydrophobicContact CD1-CZ3 4.18Å; I312-W352 HydrophobicContact CG1-CH2 3.58Å; I312-W352 HydrophobicContact CG1-CZ2 4.4Å; I312-W352 HydrophobicContact CG1-CZ3 3.96Å; I312-W352 HydrophobicContact CG2-CH2 4.49Å; I316-W352 HydrophobicContact CG2-CH2 4.45Å; G318-W352 CarbonylContact C-O 3.52Å; G318-W352 WeakPolarHBondContact CA-O 3.38Å; M319-W352 HydrophobicContact CB-CZ2 3.87Å; M319-W352 PolarHBondContact N-O 2.89Å; M319-W352 PolarHBondContact O-N 2.73Å; W352-T354 HydrophobicContact CZ3-CG2 3.93Å |
| 353 | T | 96 | Very high | 88 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.2 | 172.5 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | H305 L306 S308 L317 I371 T372 | H305-T353 PolarHBondContact NE2-N 3.37Å; H305-T353 PolarHBondContact NE2-OG1 3.33Å; L306-T353 PolarHBondContact O-N 2.94Å; S308-T353 PolarHBondContact N-O 2.86Å; L317-T353 CarbonylContact O-C 3.53Å; L317-T353 WeakPolarHBondContact O-CA 3.43Å; T353-I371 HydrophobicContact CG2-CB 4.03Å; T353-I371 HydrophobicContact CG2-CG2 3.63Å; T353-T372 WeakPolarHBondContact CG2-OG1 3.3Å; T353-T372 PolarHBondContact OG1-OG1 3.12Å |
| 354 | T | 93.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.9 | 173.2 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | S308 K310 I312 L317 W352 V356 | S308-T354 CarbonylContact O-C 3.49Å; S308-T354 WeakPolarHBondContact O-CA 3.43Å; K310-T354 PolarHBondContact N-OG1 3.31Å; K310-T354 WeakPolarHBondContact O-CB 3.1Å; K310-T354 PolarHBondContact O-OG1 2.79Å; I312-T354 HydrophobicContact CG1-CG2 4.38Å; L317-T354 HydrophobicContact CB-CG2 4.39Å; L317-T354 HydrophobicContact CD2-CG2 4.05Å; L317-T354 PolarHBondContact O-N 3.4Å; W352-T354 HydrophobicContact CZ3-CG2 3.93Å; T354-V356 VanDerWaalsContact C-N 3.3Å; T354-V356 WeakPolarHBondContact CG2-O 3.42Å; T354-V356 WeakPolarHBondContact OG1-CG2 3.3Å; T354-V356 PolarHBondContact OG1-N 3Å |
| 355 | Y | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -91.4 | 11 | 175.3 | -85.6 | -113.9 | 0 | 0 | 0 | 112.5 | F210 L214 V229 L307 S308 Q362 L363 A368 | F210-Y355 HydrophobicContact CD2-CD2 4.19Å; F210-Y355 HydrophobicContact CD2-CG 4.41Å; F210-Y355 HydrophobicContact CE2-CD1 4.36Å; F210-Y355 AromaticContact CE2-CD2 3.92Å; F210-Y355 HydrophobicContact CE2-CD2 3.92Å; F210-Y355 HydrophobicContact CE2-CE1 4.34Å; F210-Y355 AromaticContact CE2-CE2 3.91Å; F210-Y355 HydrophobicContact CE2-CE2 3.91Å; F210-Y355 HydrophobicContact CE2-CG 4.17Å; L214-Y355 HydrophobicContact CD2-CD1 4.07Å; L214-Y355 HydrophobicContact CD2-CE1 4.04Å; V229-Y355 WeakPolarHBondContact CG2-OH 3.28Å; L307-Y355 HydrophobicContact CD2-CE2 4.2Å; S308-Y355 PolarHBondContact O-N 3.1Å; Y355-Q362 CarbonylContact O-C 3.48Å; Y355-Q362 WeakPolarHBondContact O-CA 3.36Å; Y355-L363 PolarHBondContact O-N 2.81Å; Y355-A368 HydrophobicContact CD1-CB 3.53Å; Y355-A368 HydrophobicContact CD2-CB 3.86Å; Y355-A368 HydrophobicContact CE1-CB 3.37Å; Y355-A368 HydrophobicContact CE2-CB 3.69Å; Y355-A368 HydrophobicContact CG-CB 3.77Å; Y355-A368 VanDerWaalsContact CZ-CB 3.43Å |
| 356 | V | 88.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -128.2 | 152.3 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | Y309 K310 R311 L317 T354 Q361 | Y309-V356 HydrophobicContact CD1-CG1 3.3Å; Y309-V356 HydrophobicContact CD2-CG1 4Å; Y309-V356 HydrophobicContact CE1-CG1 3.1Å; Y309-V356 HydrophobicContact CE2-CG1 3.85Å; Y309-V356 HydrophobicContact CG-CG1 3.73Å; Y309-V356 WeakPolarHBondContact O-CG2 3.39Å; K310-V356 VanDerWaalsContact C-CG2 3.44Å; K310-V356 VanDerWaalsContact O-CG2 3.28Å; K310-V356 WeakPolarHBondContact O-CG2 3.49Å; R311-V356 HydrophobicContact CG-CG2 4.2Å; L317-V356 WeakPolarHBondContact CD2-O 3.31Å; T354-V356 VanDerWaalsContact C-N 3.3Å; T354-V356 WeakPolarHBondContact CG2-O 3.42Å; T354-V356 WeakPolarHBondContact OG1-CG2 3.3Å; T354-V356 PolarHBondContact OG1-N 3Å; V356-Q361 VanDerWaalsContact CA-O 3.23Å; V356-Q361 WeakPolarHBondContact CA-O 3.47Å |
| 357 | D | 82.7 | Confident | 90 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | trans | -77.9 | -177.6 | 170.4 | 80.7 | -11.7 | 0 | 0 | 0 | 112.6 | I161 N359 G360 Q361 L363 | I161-D357 HydrophobicContact CG2-CB 4.09Å; D357-N359 PolarHBondContact O-N 3.3Å; D357-N359 VanDerWaalsContact OD1-CA 3.3Å; D357-N359 WeakPolarHBondContact OD1-CA 3.25Å; D357-N359 WeakPolarHBondContact OD1-CB 3.29Å; D357-N359 PolarHBondContact OD1-N 3.31Å; D357-N359 PolarHBondContact OD2-ND2 3.02Å; D357-G360 PolarHBondContact O-N 2.66Å; D357-G360 PolarHBondContact OD1-N 3.13Å; D357-Q361 PolarHBondContact N-O 2.77Å; D357-Q361 WeakPolarHBondContact OD1-CB 3.42Å; D357-Q361 PolarHBondContact OD1-N 2.96Å; D357-L363 HydrophobicContact CB-CD2 4.05Å | ||
| 358 | Y | 77.6 | Confident | 89.7 | Confident | 113 Ų | 113 | 14.3 Ų | 14.3 | 44% | 0.443 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.8 | 175.4 | 175.9 | -97.7 | 0 | 0 | 0 | 113.2 | I312 D313 G360 | I312-Y358 WeakPolarHBondContact O-CD2 2.92Å; D313-Y358 WeakPolarHBondContact O-CD2 3.49Å; D313-Y358 WeakPolarHBondContact O-CE2 3.49Å; Y358-G360 VanDerWaalsContact C-N 3.3Å |
| 359 | N | 77.7 | Confident | 89.5 | Confident | 89 Ų | 89 | 14.8 Ų | 14.8 | 48% | 0.476 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12 | 179.5 | -53.7 | -58.1 | 0 | 0 | 0 | 112.6 | D357 | D357-N359 PolarHBondContact O-N 3.3Å; D357-N359 VanDerWaalsContact OD1-CA 3.3Å; D357-N359 WeakPolarHBondContact OD1-CA 3.25Å; D357-N359 WeakPolarHBondContact OD1-CB 3.29Å; D357-N359 PolarHBondContact OD1-N 3.31Å; D357-N359 PolarHBondContact OD2-ND2 3.02Å |
| 360 | G | 82.2 | Confident | 89 | Confident | 30 Ų | 30 | 15.7 Ų | 15.7 | 31% | 0.309 | 8% | 0.082 | S | C | . | . | trans | 87.4 | 12.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D357 Y358 | D357-G360 PolarHBondContact O-N 2.66Å; D357-G360 PolarHBondContact OD1-N 3.13Å; Y358-G360 VanDerWaalsContact C-N 3.3Å | ||
| 361 | Q | 83.2 | Confident | 88.5 | Confident | 29 Ų | 29 | 16.5 Ų | 16.5 | 14% | 0.136 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 133.1 | 175.8 | -171.8 | -178.4 | -6.2 | 0 | 0 | 110 | S19 D20 S23 Q24 V356 D357 L363 | S19-Q361 VanDerWaalsContact CB-OE1 3.3Å; S19-Q361 PolarHBondContact O-NE2 3.45Å; S19-Q361 VanDerWaalsContact OG-CD 3.26Å; S19-Q361 PolarHBondContact OG-OE1 3.07Å; D20-Q361 PolarHBondContact O-NE2 3.13Å; S23-Q361 PolarHBondContact OG-NE2 3.04Å; S23-Q361 VanDerWaalsContact OG-NE2 3.14Å; Q24-Q361 VanDerWaalsContact NE2-NE2 3.19Å; V356-Q361 VanDerWaalsContact CA-O 3.23Å; V356-Q361 WeakPolarHBondContact CA-O 3.47Å; D357-Q361 PolarHBondContact N-O 2.77Å; D357-Q361 WeakPolarHBondContact OD1-CB 3.42Å; D357-Q361 PolarHBondContact OD1-N 2.96Å; Q361-L363 PolarHBondContact O-N 3.13Å |
| 362 | Q | 89.7 | Confident | 88.3 | Confident | 13 Ų | 13 | 16.5 Ų | 16.5 | 6% | 0.061 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -57.3 | 126 | 176.1 | -166.4 | 170.9 | -20.3 | 0 | 0 | 110.8 | I21 Q24 D138 Y139 Y309 Y355 | I21-Q362 WeakPolarHBondContact CD1-O 3.41Å; Q24-Q362 PolarHBondContact NE2-O 3.33Å; D138-Q362 PolarHBondContact O-NE2 3.48Å; Y139-Q362 HydrophobicContact CD1-CG 4.18Å; Y139-Q362 HydrophobicContact CE1-CG 4.35Å; Y309-Q362 HydrophobicContact CE2-CB 4.43Å; Y309-Q362 HydrophobicContact CE2-CG 3.91Å; Y309-Q362 WeakPolarHBondContact OH-CB 3.39Å; Y309-Q362 WeakPolarHBondContact OH-CG 3.43Å; Y309-Q362 PolarHBondContact OH-OE1 2.91Å; Y355-Q362 CarbonylContact O-C 3.48Å; Y355-Q362 WeakPolarHBondContact O-CA 3.36Å |
| 363 | L | 87.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 147.8 | 169.8 | -57.4 | -179.7 | 0 | 0 | 0 | 110.1 | I161 L317 Y355 D357 Q361 N365 L367 I371 | I161-L363 HydrophobicContact CG2-CD2 3.46Å; I161-L363 VanDerWaalsContact CG2-CD2 3.46Å; L317-L363 HydrophobicContact CD1-CD1 3.97Å; L317-L363 HydrophobicContact CD2-CD1 4.22Å; Y355-L363 PolarHBondContact O-N 2.81Å; D357-L363 HydrophobicContact CB-CD2 4.05Å; Q361-L363 PolarHBondContact O-N 3.13Å; L363-N365 PolarHBondContact O-N 3.39Å; L363-L367 HydrophobicContact CD2-CD2 4.25Å; L363-I371 HydrophobicContact CD1-CD1 4.19Å |
| 364 | V | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 138 | 164.7 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | I21 L25 Y139 I156 A366 L367 A368 | I21-V364 HydrophobicContact CD1-CB 4.44Å; I21-V364 HydrophobicContact CD1-CG1 3.52Å; I21-V364 HydrophobicContact CG1-CG1 3.87Å; L25-V364 HydrophobicContact CD2-CG1 4.21Å; L25-V364 HydrophobicContact CG-CG1 4.42Å; Y139-V364 WeakPolarHBondContact OH-CA 3.35Å; I156-V364 HydrophobicContact CD1-CG2 3.77Å; I156-V364 HydrophobicContact CG1-CG2 4.06Å; I156-V364 HydrophobicContact CG2-CG2 4.28Å; V364-A366 VanDerWaalsContact C-N 3.29Å; V364-A366 PolarHBondContact O-N 3.41Å; V364-L367 HydrophobicContact CG2-CB 3.63Å; V364-L367 WeakPolarHBondContact O-CB 3.38Å; V364-L367 PolarHBondContact O-N 3.15Å; V364-A368 PolarHBondContact O-N 3.38Å |
| 365 | N | 91.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | -169.3 | -58 | -66 | 0 | 0 | 0 | 111.6 | E134 L363 L367 A368 E369 | E134-N365 WeakPolarHBondContact OE1-CB 3.49Å; E134-N365 PolarHBondContact OE2-ND2 3.08Å; L363-N365 PolarHBondContact O-N 3.39Å; N365-L367 PolarHBondContact O-N 2.95Å; N365-A368 PolarHBondContact O-N 3.26Å; N365-A368 VanDerWaalsContact O-N 3.1Å; N365-E369 WeakPolarHBondContact O-CB 3.35Å; N365-E369 VanDerWaalsContact O-CG 3.31Å; N365-E369 WeakPolarHBondContact O-CG 2.84Å; N365-E369 PolarHBondContact O-N 3.31Å |
| 366 | A | 88.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.3 | -33 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V132 E134 L153 V364 L370 | V132-A366 HydrophobicContact CG1-CB 3.98Å; V132-A366 HydrophobicContact CG2-CB 3.98Å; E134-A366 PolarHBondContact OE1-N 3.05Å; E134-A366 VanDerWaalsContact OE1-N 3.08Å; L153-A366 HydrophobicContact CD1-CB 3.82Å; V364-A366 VanDerWaalsContact C-N 3.29Å; V364-A366 PolarHBondContact O-N 3.41Å; A366-L370 WeakPolarHBondContact O-CB 3.03Å; A366-L370 PolarHBondContact O-N 3.21Å; A366-L370 VanDerWaalsContact O-N 3.09Å |
| 367 | L | 86 | Confident | 88.4 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73.6 | -44.4 | 175.9 | 178.1 | 59.5 | 0 | 0 | 0 | 111 | I156 I158 I161 L363 V364 N365 E369 L370 I371 | I156-L367 HydrophobicContact CD1-CB 4.43Å; I156-L367 HydrophobicContact CG2-CD2 4.26Å; I158-L367 HydrophobicContact CD1-CD1 3.85Å; I161-L367 HydrophobicContact CD1-CD2 3.54Å; I161-L367 HydrophobicContact CG2-CD2 4.33Å; L363-L367 HydrophobicContact CD2-CD2 4.25Å; V364-L367 HydrophobicContact CG2-CB 3.63Å; V364-L367 WeakPolarHBondContact O-CB 3.38Å; V364-L367 PolarHBondContact O-N 3.15Å; N365-L367 PolarHBondContact O-N 2.95Å; L367-E369 VanDerWaalsContact C-N 3.27Å; L367-E369 PolarHBondContact O-N 3.06Å; L367-L370 HydrophobicContact CD1-CD2 4.33Å; L367-L370 WeakPolarHBondContact O-CB 3.32Å; L367-L370 PolarHBondContact O-N 3.22Å; L367-I371 HydrophobicContact CD1-CD1 4.06Å; L367-I371 HydrophobicContact CD1-CG1 4.37Å; L367-I371 HydrophobicContact CG-CD1 3.89Å; L367-I371 WeakPolarHBondContact O-CD1 3.28Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.32Å; L367-I371 PolarHBondContact O-N 3.17Å |
| 368 | A | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y355 V364 N365 I371 T372 | Y355-A368 HydrophobicContact CD1-CB 3.53Å; Y355-A368 HydrophobicContact CD2-CB 3.86Å; Y355-A368 HydrophobicContact CE1-CB 3.37Å; Y355-A368 HydrophobicContact CE2-CB 3.69Å; Y355-A368 HydrophobicContact CG-CB 3.77Å; Y355-A368 VanDerWaalsContact CZ-CB 3.43Å; V364-A368 PolarHBondContact O-N 3.38Å; N365-A368 PolarHBondContact O-N 3.26Å; N365-A368 VanDerWaalsContact O-N 3.1Å; A368-I371 PolarHBondContact O-N 2.94Å; A368-T372 WeakPolarHBondContact O-CB 3.35Å; A368-T372 PolarHBondContact O-N 2.89Å; A368-T372 PolarHBondContact O-OG1 3.03Å |
| 369 | E | 90.8 | Very high | 90 | Very high | 12 Ų | 12 | 13.2 Ų | 13.2 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 173.7 | -73.1 | 168.5 | -175 | 0 | 0 | 112.3 | H123 V229 R232 L233 N365 L367 I371 T372 A373 | H123-E369 IonicContact CE1-OE2 2.77Å; H123-E369 IonicContact NE2-OE2 3.8Å; V229-E369 HydrophobicContact CG1-CG 4.38Å; V229-E369 HydrophobicContact CG2-CG 4.03Å; R232-E369 VanDerWaalsContact CD-CD 3.44Å; R232-E369 WeakPolarHBondContact CD-OE1 2.89Å; R232-E369 WeakPolarHBondContact CD-OE2 3.24Å; R232-E369 IonicContact CZ-OE1 3.31Å; R232-E369 IonicContact CZ-OE2 2.91Å; R232-E369 IonicContact NE-OE1 3.78Å; R232-E369 IonicContact NE-OE2 3.2Å; R232-E369 IonicContact NH1-OE1 3.6Å; R232-E369 PolarHBondContact NH1-OE1 3.01Å; R232-E369 IonicContact NH1-OE2 2.66Å; R232-E369 PolarHBondContact NH1-OE2 3.42Å; L233-E369 WeakPolarHBondContact CD2-O 3.23Å; N365-E369 WeakPolarHBondContact O-CB 3.35Å; N365-E369 VanDerWaalsContact O-CG 3.31Å; N365-E369 WeakPolarHBondContact O-CG 2.84Å; N365-E369 PolarHBondContact O-N 3.31Å; L367-E369 VanDerWaalsContact C-N 3.27Å; L367-E369 PolarHBondContact O-N 3.06Å; E369-I371 VanDerWaalsContact C-N 3.32Å; E369-I371 PolarHBondContact O-N 2.96Å; E369-T372 PolarHBondContact O-N 3.44Å; E369-A373 PolarHBondContact O-N 3.21Å |
| 370 | L | 86.1 | Confident | 90.9 | Very high | 23 Ų | 23 | 9 Ų | 9 | 12% | 0.12 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.3 | -173.8 | 85.2 | 0 | 0 | 0 | 111.4 | A366 L367 A373 H374 L402 V408 N415 | A366-L370 WeakPolarHBondContact O-CB 3.03Å; A366-L370 PolarHBondContact O-N 3.21Å; A366-L370 VanDerWaalsContact O-N 3.09Å; L367-L370 HydrophobicContact CD1-CD2 4.33Å; L367-L370 WeakPolarHBondContact O-CB 3.32Å; L367-L370 PolarHBondContact O-N 3.22Å; L370-A373 WeakPolarHBondContact O-CB 3.38Å; L370-A373 PolarHBondContact O-N 2.94Å; L370-H374 PolarHBondContact O-N 3.18Å; L370-L402 HydrophobicContact CD1-CD1 3.86Å; L370-L402 HydrophobicContact CG-CD1 4.1Å; L370-V408 HydrophobicContact CD1-CG2 4.47Å; L370-V408 HydrophobicContact CD2-CG2 3.75Å; L370-V408 WeakPolarHBondContact CD2-O 3.48Å; L370-V408 HydrophobicContact CG-CG2 4.44Å; L370-N415 WeakPolarHBondContact CD1-O 3.4Å |
| 371 | I | 87.6 | Confident | 91.5 | Very high | 17 Ų | 17 | 7.9 Ų | 7.9 | 9% | 0.087 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.9 | -64.1 | 157 | 0 | 0 | 0 | 110.2 | L317 T353 L363 L367 A368 E369 A373 H374 E375 | L317-I371 HydrophobicContact CB-CD1 3.79Å; L317-I371 HydrophobicContact CB-CG2 4.2Å; L317-I371 HydrophobicContact CD1-CD1 3.43Å; L317-I371 VanDerWaalsContact CD1-CD1 3.43Å; L317-I371 HydrophobicContact CG-CD1 4.26Å; T353-I371 HydrophobicContact CG2-CB 4.03Å; T353-I371 HydrophobicContact CG2-CG2 3.63Å; L363-I371 HydrophobicContact CD1-CD1 4.19Å; L367-I371 HydrophobicContact CD1-CD1 4.06Å; L367-I371 HydrophobicContact CD1-CG1 4.37Å; L367-I371 HydrophobicContact CG-CD1 3.89Å; L367-I371 WeakPolarHBondContact O-CD1 3.28Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.32Å; L367-I371 PolarHBondContact O-N 3.17Å; A368-I371 PolarHBondContact O-N 2.94Å; E369-I371 VanDerWaalsContact C-N 3.32Å; E369-I371 PolarHBondContact O-N 2.96Å; I371-A373 VanDerWaalsContact C-N 3.28Å; I371-A373 PolarHBondContact O-N 3.05Å; I371-H374 WeakPolarHBondContact O-CB 3.22Å; I371-H374 PolarHBondContact O-N 2.65Å; I371-H374 VanDerWaalsContact O-N 3.14Å; I371-E375 HydrophobicContact CG2-CG 4.49Å; I371-E375 WeakPolarHBondContact O-CG 3.25Å; I371-E375 PolarHBondContact O-N 3.25Å |
| 372 | T | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.7 | -53 | 0 | 0 | 0 | 0 | 110.9 | L233 L307 T353 A368 E369 H374 E375 L376 | L233-T372 HydrophobicContact CD1-CG2 3.41Å; L233-T372 VanDerWaalsContact CD1-CG2 3.41Å; L233-T372 HydrophobicContact CD2-CG2 4.29Å; L233-T372 HydrophobicContact CG-CG2 4.5Å; L307-T372 HydrophobicContact CD2-CG2 4.36Å; T353-T372 WeakPolarHBondContact CG2-OG1 3.3Å; T353-T372 PolarHBondContact OG1-OG1 3.12Å; A368-T372 WeakPolarHBondContact O-CB 3.35Å; A368-T372 PolarHBondContact O-N 2.89Å; A368-T372 PolarHBondContact O-OG1 3.03Å; E369-T372 PolarHBondContact O-N 3.44Å; T372-H374 VanDerWaalsContact C-N 3.34Å; T372-H374 PolarHBondContact O-N 3.44Å; T372-E375 PolarHBondContact O-N 3.48Å; T372-L376 HydrophobicContact CG2-CD1 4.39Å; T372-L376 HydrophobicContact CG2-CG 4.46Å; T372-L376 VanDerWaalsContact O-CG 3.28Å; T372-L376 WeakPolarHBondContact O-CG 3.28Å; T372-L376 PolarHBondContact O-N 2.84Å |
| 373 | A | 92.6 | Very high | 92 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L233 L236 E369 L370 I371 L376 G377 L402 | L233-A373 HydrophobicContact CD2-CB 3.55Å; L236-A373 HydrophobicContact CD2-CB 3.89Å; E369-A373 PolarHBondContact O-N 3.21Å; L370-A373 WeakPolarHBondContact O-CB 3.38Å; L370-A373 PolarHBondContact O-N 2.94Å; I371-A373 VanDerWaalsContact C-N 3.28Å; I371-A373 PolarHBondContact O-N 3.05Å; A373-L376 PolarHBondContact O-N 3.11Å; A373-G377 PolarHBondContact O-N 2.5Å; A373-L402 HydrophobicContact CB-CD1 4.17Å; A373-L402 HydrophobicContact CB-CD2 3.85Å |
| 374 | H | 90.7 | Very high | 91.8 | Very high | 28 Ų | 28 | 11.8 Ų | 11.8 | 13% | 0.13 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 175.2 | -178.9 | 101.7 | 0 | 0 | 0 | 111.9 | L370 I371 T372 L376 G377 H378 H384 L402 M403 | L370-H374 PolarHBondContact O-N 3.18Å; I371-H374 WeakPolarHBondContact O-CB 3.22Å; I371-H374 PolarHBondContact O-N 2.65Å; I371-H374 VanDerWaalsContact O-N 3.14Å; T372-H374 VanDerWaalsContact C-N 3.34Å; T372-H374 PolarHBondContact O-N 3.44Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 3.21Å; H374-G377 WeakPolarHBondContact O-CA 3.26Å; H374-G377 PolarHBondContact O-N 2.73Å; H374-H378 AromaticContact CD2-CD2 3.87Å; H374-H378 AromaticContact CD2-NE2 3.78Å; H374-H378 AromaticContact NE2-CD2 3.87Å; H374-H378 AromaticContact NE2-NE2 3.28Å; H374-H378 PolarHBondContact NE2-NE2 3.39Å; H374-H378 PolarHBondContact O-N 2.68Å; H374-H384 AromaticContact CE1-CD2 3.56Å; H374-H384 AromaticContact CE1-NE2 3.65Å; H374-H384 AromaticContact NE2-CD2 3.67Å; H374-H384 AromaticContact NE2-NE2 3.32Å; H374-H384 PolarHBondContact NE2-NE2 2.81Å; H374-L402 HydrophobicContact CB-CD1 4.24Å; H374-L402 PolarHBondContact ND1-O 3.06Å; H374-M403 HydrophobicContact CB-SD 4.5Å; H374-M403 WeakPolarHBondContact O-CE 3.32Å |
| 375 | E | 95.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 177.4 | -61.4 | -50.9 | 149.5 | 0 | 0 | 113.2 | G318 M319 S320 I371 T372 G377 H378 S379 | G318-E375 VanDerWaalsContact C-CD 3.47Å; G318-E375 VanDerWaalsContact C-OE1 3.22Å; M319-E375 VanDerWaalsContact C-OE2 3.26Å; M319-E375 VanDerWaalsContact CA-OE2 3.29Å; M319-E375 WeakPolarHBondContact CA-OE2 3.05Å; M319-E375 PolarHBondContact N-OE2 2.94Å; S320-E375 WeakPolarHBondContact CB-O 2.69Å; S320-E375 WeakPolarHBondContact CB-OE2 3.47Å; S320-E375 PolarHBondContact N-OE2 2.73Å; S320-E375 VanDerWaalsContact N-OE2 3.08Å; S320-E375 PolarHBondContact OG-O 3.32Å; S320-E375 PolarHBondContact OG-OE2 3.17Å; I371-E375 HydrophobicContact CG2-CG 4.49Å; I371-E375 WeakPolarHBondContact O-CG 3.25Å; I371-E375 PolarHBondContact O-N 3.25Å; T372-E375 PolarHBondContact O-N 3.48Å; E375-G377 VanDerWaalsContact C-N 3.29Å; E375-H378 PolarHBondContact O-N 3.33Å; E375-H378 IonicContact OE2-CD2 2.83Å; E375-S379 PolarHBondContact O-N 3.36Å; E375-S379 PolarHBondContact O-OG 3.04Å |
| 376 | L | 97 | Very high | 91 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.9 | -34 | 171.2 | -68.1 | -178.7 | 0 | 0 | 0 | 111.3 | L202 L233 F237 F255 L303 H305 T372 A373 H374 S379 W380 | L202-L376 HydrophobicContact CD1-CD2 4.48Å; L233-L376 HydrophobicContact CB-CD1 4.19Å; L233-L376 HydrophobicContact CD1-CD1 3.82Å; L233-L376 HydrophobicContact CD2-CD1 4.43Å; L233-L376 HydrophobicContact CG-CD1 4.38Å; F237-L376 HydrophobicContact CE2-CB 3.99Å; F237-L376 HydrophobicContact CE2-CD1 4.39Å; F237-L376 HydrophobicContact CZ-CB 3.57Å; F255-L376 HydrophobicContact CE2-CD1 3.92Å; F255-L376 HydrophobicContact CZ-CB 4.2Å; F255-L376 HydrophobicContact CZ-CD1 3.92Å; F255-L376 HydrophobicContact CZ-CD2 4.14Å; F255-L376 HydrophobicContact CZ-CG 4.33Å; L303-L376 HydrophobicContact CD2-CD2 3.38Å; H305-L376 HydrophobicContact CB-CD2 4.45Å; T372-L376 HydrophobicContact CG2-CD1 4.39Å; T372-L376 HydrophobicContact CG2-CG 4.46Å; T372-L376 VanDerWaalsContact O-CG 3.28Å; T372-L376 WeakPolarHBondContact O-CG 3.28Å; T372-L376 PolarHBondContact O-N 2.84Å; A373-L376 PolarHBondContact O-N 3.11Å; H374-L376 VanDerWaalsContact C-N 3.34Å; H374-L376 PolarHBondContact O-N 3.21Å; L376-S379 CarbonylContact O-C 3.49Å; L376-S379 WeakPolarHBondContact O-CB 3.27Å; L376-S379 PolarHBondContact O-N 3.49Å; L376-W380 PolarHBondContact O-N 3.14Å |
| 377 | G | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A373 H374 E375 S379 W380 G381 A382 | A373-G377 PolarHBondContact O-N 2.5Å; H374-G377 WeakPolarHBondContact O-CA 3.26Å; H374-G377 PolarHBondContact O-N 2.73Å; E375-G377 VanDerWaalsContact C-N 3.29Å; G377-S379 VanDerWaalsContact C-N 3.34Å; G377-S379 PolarHBondContact O-N 3.39Å; G377-W380 CarbonylContact O-C 3.58Å; G377-W380 PolarHBondContact O-N 2.72Å; G377-G381 PolarHBondContact O-N 2.66Å; G377-G381 VanDerWaalsContact O-N 3.07Å; G377-A382 PolarHBondContact O-N 2.99Å |
| 378 | H | 95.5 | Very high | 90.1 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 170.2 | -76.3 | -36 | 0 | 0 | 0 | 111.9 | S320 L322 A323 H374 E375 W380 G381 A382 H384 M403 | S320-H378 VanDerWaalsContact OG-CB 3.22Å; S320-H378 WeakPolarHBondContact OG-CB 3.3Å; L322-H378 WeakPolarHBondContact CA-O 3.5Å; L322-H378 HydrophobicContact CD1-CB 4.48Å; L322-H378 WeakPolarHBondContact CD1-O 3.18Å; A323-H378 PolarHBondContact N-O 3.14Å; A323-H378 VanDerWaalsContact N-O 3.13Å; H374-H378 AromaticContact CD2-CD2 3.87Å; H374-H378 AromaticContact CD2-NE2 3.78Å; H374-H378 AromaticContact NE2-CD2 3.87Å; H374-H378 AromaticContact NE2-NE2 3.28Å; H374-H378 PolarHBondContact NE2-NE2 3.39Å; H374-H378 PolarHBondContact O-N 2.68Å; E375-H378 PolarHBondContact O-N 3.33Å; E375-H378 IonicContact OE2-CD2 2.83Å; H378-W380 PolarHBondContact O-N 3.12Å; H378-G381 PolarHBondContact O-N 2.85Å; H378-A382 WeakPolarHBondContact CA-O 3.41Å; H378-A382 PolarHBondContact ND1-O 3.45Å; H378-H384 AromaticContact CE1-CD2 3.63Å; H378-H384 AromaticContact CE1-NE2 3.64Å; H378-H384 AromaticContact NE2-CD2 3.74Å; H378-H384 AromaticContact NE2-CE1 3.87Å; H378-H384 AromaticContact NE2-NE2 3.31Å; H378-H384 PolarHBondContact NE2-NE2 2.73Å; H378-M403 VanDerWaalsContact CE1-CE 3.43Å; H378-M403 WeakPolarHBondContact CE1-CE 3.49Å; H378-M403 WeakPolarHBondContact ND1-CE 3.38Å |
| 379 | S | 98 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -22.8 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | S320 W321 A323 G332 I333 E375 L376 G377 | S320-S379 WeakPolarHBondContact CB-OG 3.48Å; W321-S379 WeakPolarHBondContact O-CA 2.79Å; A323-S379 WeakPolarHBondContact CB-O 3.07Å; G332-S379 CarbonylContact C-O 3.46Å; G332-S379 VanDerWaalsContact CA-O 3.31Å; G332-S379 WeakPolarHBondContact CA-O 3.33Å; I333-S379 WeakPolarHBondContact CG2-O 3.28Å; I333-S379 PolarHBondContact N-O 2.72Å; E375-S379 PolarHBondContact O-N 3.36Å; E375-S379 PolarHBondContact O-OG 3.04Å; L376-S379 CarbonylContact O-C 3.49Å; L376-S379 WeakPolarHBondContact O-CB 3.27Å; L376-S379 PolarHBondContact O-N 3.49Å; G377-S379 VanDerWaalsContact C-N 3.34Å; G377-S379 PolarHBondContact O-N 3.39Å |
| 380 | W | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -94.6 | -7.9 | 176.3 | -81.1 | 51.6 | 0 | 0 | 0 | 114.2 | C200 F237 F242 F255 I333 L376 G377 H378 I426 C429 L430 F438 | C200-W380 HydrophobicContact CB-CZ2 4.01Å; F237-W380 AromaticContact CD1-CD2 3.71Å; F237-W380 HydrophobicContact CD1-CD2 3.71Å; F237-W380 AromaticContact CD1-CE2 3.71Å; F237-W380 AromaticContact CD1-CE3 3.73Å; F237-W380 HydrophobicContact CD1-CE3 3.73Å; F237-W380 HydrophobicContact CD1-CG 4.37Å; F237-W380 AromaticContact CD1-CH2 3.83Å; F237-W380 HydrophobicContact CD1-CH2 3.83Å; F237-W380 AromaticContact CD1-CZ2 3.8Å; F237-W380 HydrophobicContact CD1-CZ2 3.8Å; F237-W380 AromaticContact CD1-CZ3 3.78Å; F237-W380 HydrophobicContact CD1-CZ3 3.78Å; F237-W380 HydrophobicContact CE1-CB 4.36Å; F237-W380 AromaticContact CE1-CD1 3.91Å; F237-W380 AromaticContact CE1-CD2 3.53Å; F237-W380 HydrophobicContact CE1-CD2 3.53Å; F237-W380 AromaticContact CE1-CE2 3.7Å; F237-W380 AromaticContact CE1-CE3 3.93Å; F237-W380 HydrophobicContact CE1-CE3 3.93Å; F237-W380 AromaticContact CE1-CG 3.7Å; F237-W380 HydrophobicContact CE1-CG 3.7Å; F237-W380 HydrophobicContact CE1-CZ2 4.26Å; F237-W380 HydrophobicContact CE1-CZ3 4.43Å; F237-W380 AromaticContact CE1-NE1 3.93Å; F242-W380 AromaticContact CE2-CZ3 3.99Å; F242-W380 HydrophobicContact CE2-CZ3 3.99Å; F242-W380 HydrophobicContact CZ-CE3 4.25Å; F242-W380 HydrophobicContact CZ-CZ3 4.09Å; F255-W380 HydrophobicContact CD1-CZ2 4.13Å; F255-W380 HydrophobicContact CD2-CZ2 4.43Å; F255-W380 AromaticContact CE1-CE2 3.74Å; F255-W380 AromaticContact CE1-CZ2 3.75Å; F255-W380 HydrophobicContact CE1-CZ2 3.75Å; F255-W380 AromaticContact CE1-NE1 3.16Å; F255-W380 HydrophobicContact CE2-CZ2 4.04Å; F255-W380 HydrophobicContact CG-CZ2 4.49Å; F255-W380 AromaticContact CZ-CD1 3.95Å; F255-W380 AromaticContact CZ-CE2 3.54Å; F255-W380 AromaticContact CZ-CZ2 3.71Å; F255-W380 HydrophobicContact CZ-CZ2 3.71Å; F255-W380 AromaticContact CZ-NE1 3.01Å; I333-W380 HydrophobicContact CD1-CD2 4.44Å; I333-W380 HydrophobicContact CD1-CG 4.34Å; I333-W380 HydrophobicContact CG2-CG 4.2Å; L376-W380 PolarHBondContact O-N 3.14Å; G377-W380 CarbonylContact O-C 3.58Å; G377-W380 PolarHBondContact O-N 2.72Å; H378-W380 PolarHBondContact O-N 3.12Å; W380-I426 HydrophobicContact CB-CD1 4.39Å; W380-I426 HydrophobicContact CB-CG1 4.11Å; W380-I426 HydrophobicContact CB-CG2 4.04Å; W380-I426 HydrophobicContact CE3-CG2 3.72Å; W380-C429 WeakPolarHBondContact O-CB 3.49Å; W380-L430 HydrophobicContact CE3-CD1 4.14Å; W380-L430 HydrophobicContact CE3-CD2 3.71Å; W380-L430 HydrophobicContact CE3-CG 4.19Å; W380-L430 HydrophobicContact CH2-CD2 4.36Å; W380-L430 HydrophobicContact CZ3-CD1 3.94Å; W380-L430 HydrophobicContact CZ3-CD2 3.62Å; W380-L430 HydrophobicContact CZ3-CG 4.27Å; W380-F438 HydrophobicContact CH2-CE1 4.09Å; W380-F438 HydrophobicContact CH2-CZ 4.21Å; W380-F438 HydrophobicContact CZ2-CE1 4.43Å; W380-F438 HydrophobicContact CZ2-CZ 4.19Å |
| 381 | G | 94.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110 | 8.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A323 G377 H378 D383 | A323-G381 WeakPolarHBondContact O-CA 3.2Å; G377-G381 PolarHBondContact O-N 2.66Å; G377-G381 VanDerWaalsContact O-N 3.07Å; H378-G381 PolarHBondContact O-N 2.85Å; G381-D383 PolarHBondContact O-N 2.89Å |
| 382 | A | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -75.4 | 122.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | L322 G377 H378 M403 I426 | L322-A382 WeakPolarHBondContact CD1-O 3.28Å; G377-A382 PolarHBondContact O-N 2.99Å; H378-A382 WeakPolarHBondContact CA-O 3.41Å; H378-A382 PolarHBondContact ND1-O 3.45Å; A382-M403 HydrophobicContact CB-CE 4Å; A382-M403 HydrophobicContact CB-CG 3.92Å; A382-M403 HydrophobicContact CB-SD 4.33Å; A382-I426 HydrophobicContact CB-CD1 3.87Å; A382-I426 HydrophobicContact CB-CG1 3.81Å | ||
| 383 | D | 88.3 | Confident | 86.7 | Confident | 84 Ų | 84 | 33.2 Ų | 33.2 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | trans | -71.8 | 175.8 | 156.7 | -83.9 | -54.9 | 0 | 0 | 0 | 110.1 | L322 G381 | L322-D383 WeakPolarHBondContact CD2-OD1 3.46Å; G381-D383 PolarHBondContact O-N 2.89Å | ||
| 384 | H | 84.9 | Confident | 85.2 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 143.8 | 167.8 | -66.5 | 130.6 | 0 | 0 | 0 | 111.5 | Y168 H374 H378 M403 T405 | Y168-H384 AromaticContact CD1-CE1 3.63Å; Y168-H384 AromaticContact CG-CE1 3.85Å; H374-H384 AromaticContact CE1-CD2 3.56Å; H374-H384 AromaticContact CE1-NE2 3.65Å; H374-H384 AromaticContact NE2-CD2 3.67Å; H374-H384 AromaticContact NE2-NE2 3.32Å; H374-H384 PolarHBondContact NE2-NE2 2.81Å; H378-H384 AromaticContact CE1-CD2 3.63Å; H378-H384 AromaticContact CE1-NE2 3.64Å; H378-H384 AromaticContact NE2-CD2 3.74Å; H378-H384 AromaticContact NE2-CE1 3.87Å; H378-H384 AromaticContact NE2-NE2 3.31Å; H378-H384 PolarHBondContact NE2-NE2 2.73Å; H384-M403 CarbonylContact C-O 3.56Å; H384-M403 WeakPolarHBondContact CA-O 3.46Å; H384-T405 HydrophobicContact CB-CG2 4.49Å; H384-T405 WeakPolarHBondContact CB-OG1 3.39Å |
| 385 | D | 82.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -61 | 128.4 | 179 | -73.7 | -40.3 | 0 | 0 | 0 | 110.6 | C391 Y401 M403 Y404 S419 S422 | D385-C391 HydrophobicContact CB-CB 4.4Å; D385-C391 WeakPolarHBondContact CB-O 3.38Å; D385-Y401 VanDerWaalsContact OD2-CB 3.32Å; D385-Y401 WeakPolarHBondContact OD2-CB 3.48Å; D385-M403 PolarHBondContact N-O 2.8Å; D385-Y404 PolarHBondContact OD2-N 3.01Å; D385-S419 VanDerWaalsContact CG-OG 3.29Å; D385-S419 VanDerWaalsContact OD1-CB 3.28Å; D385-S419 WeakPolarHBondContact OD1-CB 3.34Å; D385-S419 PolarHBondContact OD1-OG 3.19Å; D385-S422 PolarHBondContact OD1-OG 3.41Å |
| 386 | P | 80.7 | Confident | 81.4 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 152.2 | 178.5 | 30.4 | -35.3 | 0 | 0 | 0 | 110.7 | T388 C391 N392 | P386-T388 HydrophobicContact CB-CG2 4.22Å; P386-T388 HydrophobicContact CG-CG2 4.25Å; P386-T388 PolarHBondContact O-N 3.25Å; P386-T388 PolarHBondContact O-OG1 2.9Å; P386-C391 HydrophobicContact CG-CB 4.39Å; P386-N392 VanDerWaalsContact O-CB 3.27Å; P386-N392 WeakPolarHBondContact O-CB 3.33Å |
| 387 | D | 76.8 | Confident | 79.5 | Confident | 130 Ų | 130 | 49.3 Ų | 49.3 | 70% | 0.695 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -69.6 | 67.7 | 176.7 | -69.9 | -24 | 0 | 0 | 0 | 112.1 | N392 | D387-N392 PolarHBondContact OD1-ND2 3.01Š|
| 388 | T | 79.9 | Confident | 77.8 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -125.8 | 150.6 | 178.7 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | P386 E390 C391 N392 | P386-T388 HydrophobicContact CB-CG2 4.22Å; P386-T388 HydrophobicContact CG-CG2 4.25Å; P386-T388 PolarHBondContact O-N 3.25Å; P386-T388 PolarHBondContact O-OG1 2.9Å; T388-E390 PolarHBondContact O-N 3.39Å; T388-C391 PolarHBondContact O-N 3.46Å; T388-N392 CarbonylContact O-C 3.49Å; T388-N392 VanDerWaalsContact O-CA 3.26Å; T388-N392 WeakPolarHBondContact O-CA 3.49Å; T388-N392 VanDerWaalsContact O-CB 3.32Å; T388-N392 WeakPolarHBondContact O-CB 3.35Å; T388-N392 PolarHBondContact O-N 3.45Å |
| 389 | D | 75 | Confident | 76.3 | Confident | 142 Ų | 142 | 51.3 Ų | 51.3 | 76% | 0.759 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.9 | -178.9 | -71.8 | -29.7 | 0 | 0 | 0 | 113.2 | ||
| 390 | E | 81 | Confident | 75 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -46.2 | 178.5 | -174.7 | -169.9 | -172.8 | 0 | 0 | 112.1 | T388 P420 R424 | T388-E390 PolarHBondContact O-N 3.39Å; E390-P420 HydrophobicContact CG-CB 3.91Å; E390-P420 HydrophobicContact CG-CG 4Å; E390-P420 VanDerWaalsContact OE1-CB 3.27Å; E390-P420 WeakPolarHBondContact OE1-CB 3.18Å; E390-R424 IonicContact OE1-CZ 2.97Å; E390-R424 VanDerWaalsContact OE1-CZ 3.32Å; E390-R424 IonicContact OE1-NH1 3.91Å; E390-R424 PolarHBondContact OE1-NH1 3.14Å; E390-R424 IonicContact OE1-NH2 3.97Å; E390-R424 PolarHBondContact OE1-NH2 3.38Å; E390-R424 IonicContact OE2-CZ 3.63Å; E390-R424 IonicContact OE2-NH1 3.3Å; E390-R424 IonicContact OE2-NH2 3.36Å; E390-R424 PolarHBondContact OE2-NH2 3.4Å |
| 391 | C | 81.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -10.9 | -167.8 | -54.8 | 0 | 0 | 0 | 0 | 113 | D385 P386 T388 P393 Y401 C421 | D385-C391 HydrophobicContact CB-CB 4.4Å; D385-C391 WeakPolarHBondContact CB-O 3.38Å; P386-C391 HydrophobicContact CG-CB 4.39Å; T388-C391 PolarHBondContact O-N 3.46Å; C391-P393 VanDerWaalsContact C-CD 3.45Å; C391-Y401 VanDerWaalsContact O-CD2 3.31Å; C391-Y401 WeakPolarHBondContact O-CD2 3.34Å; C391-C421 HydrophobicContact CB-CB 3.68Å; C391-C421 WeakPolarHBondContact CB-SG 3.12Å; C391-C421 VanDerWaalsContact SG-CA 3.57Å; C391-C421 WeakPolarHBondContact SG-CB 3.38Å; C391-C421 PolarHBondContact SG-N 3.29Å; C391-C421 CovalentContact SG-SG 2.01Å; C391-C421 PolarHBondContact SG-SG 2.9Å |
| 392 | N | 72 | Confident | 73.7 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -134.8 | 54.1 | 177.8 | -167.2 | 8.9 | 0 | 0 | 0 | 112.6 | P386 D387 T388 K400 Y404 | P386-N392 VanDerWaalsContact O-CB 3.27Å; P386-N392 WeakPolarHBondContact O-CB 3.33Å; D387-N392 PolarHBondContact OD1-ND2 3.01Å; T388-N392 CarbonylContact O-C 3.49Å; T388-N392 VanDerWaalsContact O-CA 3.26Å; T388-N392 WeakPolarHBondContact O-CA 3.49Å; T388-N392 VanDerWaalsContact O-CB 3.32Å; T388-N392 WeakPolarHBondContact O-CB 3.35Å; T388-N392 PolarHBondContact O-N 3.45Å; N392-K400 PolarHBondContact O-NZ 2.87Å; N392-K400 WeakPolarHBondContact OD1-CD 3.22Å; N392-K400 WeakPolarHBondContact OD1-CE 3.17Å; N392-K400 PolarHBondContact OD1-NZ 3.15Å; N392-Y404 WeakPolarHBondContact ND2-CE2 3.37Å |
| 393 | P | 68.2 | Low | 73.3 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -61.6 | 159.2 | -176.1 | 24.7 | -32.5 | 0 | 0 | 0 | 112.7 | C391 S397 G399 K400 Y401 | C391-P393 VanDerWaalsContact C-CD 3.45Å; P393-S397 WeakPolarHBondContact CB-OG 3.19Å; P393-G399 WeakPolarHBondContact CG-O 3.12Å; P393-K400 WeakPolarHBondContact O-CE 3.3Å; P393-K400 PolarHBondContact O-NZ 3.18Å; P393-Y401 HydrophobicContact CG-CD2 4.09Å; P393-Y401 HydrophobicContact CG-CE2 3.6Å | ||
| 394 | T | 60.9 | Low | 72.7 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | trans | -67 | 163.6 | 179.6 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | I396 S397 G399 | T394-I396 PolarHBondContact O-N 3.23Å; T394-I396 VanDerWaalsContact O-N 3.17Å; T394-S397 PolarHBondContact N-OG 2.8Å; T394-S397 CarbonylContact O-C 3.57Å; T394-S397 PolarHBondContact O-N 3.04Å; T394-S397 PolarHBondContact O-OG 2.98Å; T394-S397 PolarHBondContact OG1-OG 3.35Å; T394-G399 WeakPolarHBondContact O-CA 3.23Å; T394-G399 PolarHBondContact O-N 2.72Å | ||
| 395 | A | 56.2 | Low | 71.3 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 72% | 0.719 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | S397 | A395-S397 VanDerWaalsContact C-N 3.35Š|
| 396 | I | 50.8 | Low | 70.1 | Confident | 168 Ų | 168 | 57.6 Ų | 57.6 | 86% | 0.862 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -30.3 | 178.1 | -60.7 | 169.3 | 0 | 0 | 0 | 111 | T394 S398 | T394-I396 PolarHBondContact O-N 3.23Å; T394-I396 VanDerWaalsContact O-N 3.17Å; I396-S398 PolarHBondContact O-N 3.39Å |
| 397 | S | 56.2 | Low | 68.9 | Low | 54 Ų | 54 | 57 Ų | 57 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 60.3 | -178.8 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | P393 T394 A395 G399 | P393-S397 WeakPolarHBondContact CB-OG 3.19Å; T394-S397 PolarHBondContact N-OG 2.8Å; T394-S397 CarbonylContact O-C 3.57Å; T394-S397 PolarHBondContact O-N 3.04Å; T394-S397 PolarHBondContact O-OG 2.98Å; T394-S397 PolarHBondContact OG1-OG 3.35Å; A395-S397 VanDerWaalsContact C-N 3.35Å; S397-G399 PolarHBondContact O-N 3.18Å |
| 398 | S | 61.1 | Low | 67.6 | Low | 48 Ų | 48 | 51.2 Ų | 51.2 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 8.6 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 116.2 | I396 A412 E413 N414 | I396-S398 PolarHBondContact O-N 3.39Å; S398-A412 CarbonylContact O-C 3.54Å; S398-A412 WeakPolarHBondContact O-CB 3.39Å; S398-E413 PolarHBondContact O-N 3.28Å; S398-E413 PolarHBondContact OG-OE2 3.36Å; S398-N414 WeakPolarHBondContact CB-ND2 3.27Å; S398-N414 WeakPolarHBondContact O-CB 3.41Å; S398-N414 PolarHBondContact O-N 3.32Å; S398-N414 PolarHBondContact O-ND2 3.26Å |
| 399 | G | 62.9 | Low | 66 | Low | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | 64.3 | -169.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P393 T394 S397 A412 N414 | P393-G399 WeakPolarHBondContact CG-O 3.12Å; T394-G399 WeakPolarHBondContact O-CA 3.23Å; T394-G399 PolarHBondContact O-N 2.72Å; S397-G399 PolarHBondContact O-N 3.18Å; G399-A412 VanDerWaalsContact CA-CB 3.43Å; G399-N414 VanDerWaalsContact O-CB 3.25Å; G399-N414 WeakPolarHBondContact O-CB 3.44Å; G399-N414 PolarHBondContact O-ND2 3.09Å | ||
| 400 | K | 70.2 | Confident | 64.8 | Low | 51 Ų | 51 | 42.8 Ų | 42.8 | 22% | 0.222 | 24% | 0.242 | C | C | . | . | trans | -72.9 | 153.2 | -166.8 | -54.2 | -68.1 | 170.7 | -163.1 | 0 | 112.1 | N392 P393 Y404 V408 N414 N415 | N392-K400 PolarHBondContact O-NZ 2.87Å; N392-K400 WeakPolarHBondContact OD1-CD 3.22Å; N392-K400 WeakPolarHBondContact OD1-CE 3.17Å; N392-K400 PolarHBondContact OD1-NZ 3.15Å; P393-K400 WeakPolarHBondContact O-CE 3.3Å; P393-K400 PolarHBondContact O-NZ 3.18Å; K400-Y404 HydrophobicContact CB-CD1 3.92Å; K400-Y404 HydrophobicContact CB-CG 4.04Å; K400-Y404 HydrophobicContact CD-CD1 4.1Å; K400-Y404 HydrophobicContact CD-CD2 4.32Å; K400-Y404 HydrophobicContact CD-CE1 4.03Å; K400-Y404 HydrophobicContact CD-CE2 4.32Å; K400-Y404 HydrophobicContact CD-CG 4.23Å; K400-Y404 HydrophobicContact CG-CD1 3.84Å; K400-Y404 HydrophobicContact CG-CE1 4Å; K400-Y404 HydrophobicContact CG-CG 4.27Å; K400-V408 HydrophobicContact CB-CG1 3.62Å; K400-N414 CarbonylContact O-C 3.56Å; K400-N414 VanDerWaalsContact O-CB 3.28Å; K400-N414 WeakPolarHBondContact O-CB 3.49Å; K400-N415 VanDerWaalsContact O-CA 3.28Å; K400-N415 WeakPolarHBondContact O-CA 3.43Å; K400-N415 PolarHBondContact O-N 3.2Å; K400-N415 PolarHBondContact O-ND2 2.97Å | ||
| 401 | Y | 81.4 | Confident | 63.2 | Low | 37 Ų | 37 | 43.4 Ų | 43.4 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | trans | -86.3 | 168.1 | 175.3 | -72.5 | -81.6 | 0 | 0 | 0 | 112.4 | D385 C391 P393 M403 Y404 V408 N414 K417 S419 | D385-Y401 VanDerWaalsContact OD2-CB 3.32Å; D385-Y401 WeakPolarHBondContact OD2-CB 3.48Å; C391-Y401 VanDerWaalsContact O-CD2 3.31Å; C391-Y401 WeakPolarHBondContact O-CD2 3.34Å; P393-Y401 HydrophobicContact CG-CD2 4.09Å; P393-Y401 HydrophobicContact CG-CE2 3.6Å; Y401-M403 PolarHBondContact O-N 2.94Å; Y401-Y404 WeakPolarHBondContact O-CB 2.97Å; Y401-Y404 PolarHBondContact O-N 2.81Å; Y401-Y404 VanDerWaalsContact O-N 3.11Å; Y401-V408 VanDerWaalsContact O-CG1 3.3Å; Y401-V408 WeakPolarHBondContact O-CG1 3.45Å; Y401-N414 WeakPolarHBondContact CA-O 3.36Å; Y401-N414 HydrophobicContact CD1-CB 3.57Å; Y401-N414 HydrophobicContact CD2-CB 4.36Å; Y401-N414 HydrophobicContact CE1-CB 3.66Å; Y401-N414 VanDerWaalsContact CE1-CG 3.41Å; Y401-N414 WeakPolarHBondContact CE1-OD1 3.45Å; Y401-N414 HydrophobicContact CE2-CB 4.47Å; Y401-N414 HydrophobicContact CG-CB 3.96Å; Y401-K417 HydrophobicContact CD1-CB 4.19Å; Y401-K417 WeakPolarHBondContact CD1-O 3.31Å; Y401-K417 HydrophobicContact CE1-CB 4.42Å; Y401-S419 VanDerWaalsContact CD2-CB 3.43Å; Y401-S419 VanDerWaalsContact CG-CA 3.49Å; Y401-S419 VanDerWaalsContact CG-CB 3.43Å | ||
| 402 | L | 84.7 | Confident | 62.1 | Low | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.7 | -177.1 | 177.3 | 61.9 | 0 | 0 | 0 | 113.7 | L236 L370 A373 H374 Y404 N415 K417 F418 | L236-L402 HydrophobicContact CD2-CD2 3.59Å; L370-L402 HydrophobicContact CD1-CD1 3.86Å; L370-L402 HydrophobicContact CG-CD1 4.1Å; A373-L402 HydrophobicContact CB-CD1 4.17Å; A373-L402 HydrophobicContact CB-CD2 3.85Å; H374-L402 HydrophobicContact CB-CD1 4.24Å; H374-L402 PolarHBondContact ND1-O 3.06Å; L402-Y404 VanDerWaalsContact C-N 3.31Å; L402-Y404 PolarHBondContact O-N 3.42Å; L402-N415 WeakPolarHBondContact CA-O 3.14Å; L402-K417 VanDerWaalsContact CB-O 3.25Å; L402-K417 WeakPolarHBondContact CB-O 3.13Å; L402-K417 PolarHBondContact N-O 3.26Å; L402-F418 HydrophobicContact CD2-CD1 4.23Å; L402-F418 HydrophobicContact CD2-CE1 3.77Å; L402-F418 HydrophobicContact CD2-CE2 4.45Å; L402-F418 HydrophobicContact CD2-CZ 3.89Å |
| 403 | M | 84.8 | Confident | 61.7 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 14.7 | -175.7 | -59.5 | -54.1 | -56.7 | 0 | 0 | 113.2 | H374 H378 A382 H384 D385 Y401 T405 F418 S422 | H374-M403 HydrophobicContact CB-SD 4.5Å; H374-M403 WeakPolarHBondContact O-CE 3.32Å; H378-M403 VanDerWaalsContact CE1-CE 3.43Å; H378-M403 WeakPolarHBondContact CE1-CE 3.49Å; H378-M403 WeakPolarHBondContact ND1-CE 3.38Å; A382-M403 HydrophobicContact CB-CE 4Å; A382-M403 HydrophobicContact CB-CG 3.92Å; A382-M403 HydrophobicContact CB-SD 4.33Å; H384-M403 CarbonylContact C-O 3.56Å; H384-M403 WeakPolarHBondContact CA-O 3.46Å; D385-M403 PolarHBondContact N-O 2.8Å; Y401-M403 PolarHBondContact O-N 2.94Å; M403-T405 PolarHBondContact O-N 3.37Å; M403-F418 HydrophobicContact CG-CD1 3.8Å; M403-F418 HydrophobicContact CG-CE1 3.94Å; M403-F418 HydrophobicContact SD-CD1 4.36Å; M403-F418 HydrophobicContact SD-CE1 3.89Å; M403-S422 WeakPolarHBondContact CB-OG 3.43Å; M403-S422 VanDerWaalsContact CG-OG 3.24Å; M403-S422 WeakPolarHBondContact CG-OG 3.36Å |
| 404 | Y | 75.1 | Confident | 61.9 | Low | 45 Ų | 45 | 47.4 Ų | 47.4 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -57.6 | 137.3 | 175.2 | -175.8 | -133.3 | 0 | 0 | 0 | 111.6 | D385 N392 K400 Y401 L402 Y406 V408 | D385-Y404 PolarHBondContact OD2-N 3.01Å; N392-Y404 WeakPolarHBondContact ND2-CE2 3.37Å; K400-Y404 HydrophobicContact CB-CD1 3.92Å; K400-Y404 HydrophobicContact CB-CG 4.04Å; K400-Y404 HydrophobicContact CD-CD1 4.1Å; K400-Y404 HydrophobicContact CD-CD2 4.32Å; K400-Y404 HydrophobicContact CD-CE1 4.03Å; K400-Y404 HydrophobicContact CD-CE2 4.32Å; K400-Y404 HydrophobicContact CD-CG 4.23Å; K400-Y404 HydrophobicContact CG-CD1 3.84Å; K400-Y404 HydrophobicContact CG-CE1 4Å; K400-Y404 HydrophobicContact CG-CG 4.27Å; Y401-Y404 WeakPolarHBondContact O-CB 2.97Å; Y401-Y404 PolarHBondContact O-N 2.81Å; Y401-Y404 VanDerWaalsContact O-N 3.11Å; L402-Y404 VanDerWaalsContact C-N 3.31Å; L402-Y404 PolarHBondContact O-N 3.42Å; Y404-Y406 WeakPolarHBondContact CD1-O 3.46Å; Y404-Y406 AromaticContact CE1-CD2 3.94Å; Y404-Y406 HydrophobicContact CE1-CD2 3.94Å; Y404-Y406 HydrophobicContact CE1-CG 4.41Å; Y404-Y406 HydrophobicContact CE2-CD2 4.34Å; Y404-Y406 AromaticContact CZ-CD2 3.69Å; Y404-Y406 PolarHBondContact O-N 3.31Å; Y404-Y406 VanDerWaalsContact O-O 3.14Å; Y404-V408 HydrophobicContact CD1-CG1 3.99Å; Y404-V408 HydrophobicContact CG-CG1 4.31Å |
| 405 | T | 55.1 | Low | 62.4 | Low | 38 Ų | 38 | 44.2 Ų | 44.2 | 23% | 0.233 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -53.7 | -30 | -176.4 | -50.6 | 0 | 0 | 0 | 0 | 114 | H384 M403 | H384-T405 HydrophobicContact CB-CG2 4.49Å; H384-T405 WeakPolarHBondContact CB-OG1 3.39Å; M403-T405 PolarHBondContact O-N 3.37Å |
| 406 | Y | 58.4 | Low | 63.2 | Low | 90 Ų | 90 | 41.5 Ų | 41.5 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -105.7 | 146.2 | 173 | -56.7 | -73.3 | 0 | 0 | 0 | 109.7 | P165 M166 Y404 V408 | P165-Y406 HydrophobicContact CB-CD1 3.87Å; P165-Y406 HydrophobicContact CB-CE1 4.15Å; M166-Y406 VanDerWaalsContact O-CD1 3.31Å; M166-Y406 WeakPolarHBondContact O-CD1 3.21Å; M166-Y406 WeakPolarHBondContact O-CE1 3.44Å; Y404-Y406 WeakPolarHBondContact CD1-O 3.46Å; Y404-Y406 AromaticContact CE1-CD2 3.94Å; Y404-Y406 HydrophobicContact CE1-CD2 3.94Å; Y404-Y406 HydrophobicContact CE1-CG 4.41Å; Y404-Y406 HydrophobicContact CE2-CD2 4.34Å; Y404-Y406 AromaticContact CZ-CD2 3.69Å; Y404-Y406 PolarHBondContact O-N 3.31Å; Y404-Y406 VanDerWaalsContact O-O 3.14Å; Y406-V408 PolarHBondContact O-N 2.82Å; Y406-V408 VanDerWaalsContact O-N 3.1Å |
| 407 | S | 54.6 | Low | 64.5 | Low | 48 Ų | 48 | 37.6 Ų | 37.6 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | trans | -49.2 | 121.9 | 176.5 | 177 | 0 | 0 | 0 | 0 | 111 | I158 | I158-S407 VanDerWaalsContact CD1-OG 3.24Å; I158-S407 WeakPolarHBondContact CD1-OG 3.29Å | ||
| 408 | V | 49.8 | Very low | 65.9 | Low | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | trans | -78.6 | 135.8 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | I158 L370 K400 Y401 Y404 Y406 G410 N415 | I158-V408 WeakPolarHBondContact CD1-O 3.17Å; L370-V408 HydrophobicContact CD1-CG2 4.47Å; L370-V408 HydrophobicContact CD2-CG2 3.75Å; L370-V408 WeakPolarHBondContact CD2-O 3.48Å; L370-V408 HydrophobicContact CG-CG2 4.44Å; K400-V408 HydrophobicContact CB-CG1 3.62Å; Y401-V408 VanDerWaalsContact O-CG1 3.3Å; Y401-V408 WeakPolarHBondContact O-CG1 3.45Å; Y404-V408 HydrophobicContact CD1-CG1 3.99Å; Y404-V408 HydrophobicContact CG-CG1 4.31Å; Y406-V408 PolarHBondContact O-N 2.82Å; Y406-V408 VanDerWaalsContact O-N 3.1Å; V408-G410 PolarHBondContact O-N 2.91Å; V408-G410 VanDerWaalsContact O-N 3.15Å; V408-N415 HydrophobicContact CB-CB 4.14Å; V408-N415 HydrophobicContact CG2-CB 3.67Å | ||
| 409 | S | 46.1 | Very low | 67.2 | Low | 21 Ų | 21 | 33.1 Ų | 33.1 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | trans | -65.8 | -12.2 | -178.1 | 47 | 0 | 0 | 0 | 0 | 115.9 | Y411 | S409-Y411 PolarHBondContact O-N 2.73Å; S409-Y411 VanDerWaalsContact OG-CB 3.25Å; S409-Y411 WeakPolarHBondContact OG-CB 3.17Å; S409-Y411 WeakPolarHBondContact OG-CD2 3.39Å; S409-Y411 VanDerWaalsContact OG-CE2 3.22Å; S409-Y411 WeakPolarHBondContact OG-CE2 3.43Å; S409-Y411 PolarHBondContact OG-N 3.48Å | ||
| 410 | G | 50.6 | Low | 68.3 | Low | 4 Ų | 4 | 34.7 Ų | 34.7 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 68.5 | 14.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L153 R154 V408 A412 N415 | L153-G410 CarbonylContact C-O 3.58Å; L153-G410 WeakPolarHBondContact CD2-O 3.25Å; L153-G410 WeakPolarHBondContact CG-O 3.47Å; R154-G410 PolarHBondContact N-O 3.1Å; V408-G410 PolarHBondContact O-N 2.91Å; V408-G410 VanDerWaalsContact O-N 3.15Å; G410-A412 VanDerWaalsContact C-N 3.25Å; G410-A412 PolarHBondContact O-N 3.08Å; G410-N415 WeakPolarHBondContact CA-OD1 3.4Å; G410-N415 PolarHBondContact N-OD1 2.53Å |
| 411 | Y | 47.7 | Very low | 69.3 | Low | 109 Ų | 109 | 33.1 Ų | 33.1 | 43% | 0.427 | 17% | 0.172 | S | C | . | . | trans | -66.1 | -24.7 | 178.4 | -64.5 | -30.3 | 0 | 0 | 0 | 113.6 | R154 I156 S409 N415 | R154-Y411 VanDerWaalsContact C-CE1 3.43Å; R154-Y411 VanDerWaalsContact CB-CA 3.47Å; R154-Y411 HydrophobicContact CB-CD1 3.62Å; R154-Y411 HydrophobicContact CB-CG 4.33Å; R154-Y411 WeakPolarHBondContact O-CD1 2.99Å; R154-Y411 WeakPolarHBondContact O-CE1 3.45Å; I156-Y411 WeakPolarHBondContact O-CE1 3.46Å; I156-Y411 PolarHBondContact O-OH 3.28Å; S409-Y411 PolarHBondContact O-N 2.73Å; S409-Y411 VanDerWaalsContact OG-CB 3.25Å; S409-Y411 WeakPolarHBondContact OG-CB 3.17Å; S409-Y411 WeakPolarHBondContact OG-CD2 3.39Å; S409-Y411 VanDerWaalsContact OG-CE2 3.22Å; S409-Y411 WeakPolarHBondContact OG-CE2 3.43Å; S409-Y411 PolarHBondContact OG-N 3.48Å; Y411-N415 PolarHBondContact N-OD1 3.44Å | ||
| 412 | A | 57 | Low | 69.8 | Low | 18 Ų | 18 | 31.4 Ų | 31.4 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -134.9 | 151.3 | -160.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S398 G399 G410 N414 N415 | S398-A412 CarbonylContact O-C 3.54Å; S398-A412 WeakPolarHBondContact O-CB 3.39Å; G399-A412 VanDerWaalsContact CA-CB 3.43Å; G410-A412 VanDerWaalsContact C-N 3.25Å; G410-A412 PolarHBondContact O-N 3.08Å; A412-N414 PolarHBondContact O-N 2.86Å; A412-N414 VanDerWaalsContact O-N 3.07Å; A412-N415 PolarHBondContact N-OD1 3Å; A412-N415 VanDerWaalsContact O-CB 3.24Å; A412-N415 WeakPolarHBondContact O-CB 3.44Å; A412-N415 PolarHBondContact O-N 2.93Å |
| 413 | E | 63.8 | Low | 70.1 | Confident | 81 Ų | 81 | 32.6 Ų | 32.6 | 38% | 0.379 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -51.7 | -35.1 | -174.3 | -169.5 | -163.5 | 160.4 | 0 | 0 | 113.6 | S398 N415 K417 | S398-E413 PolarHBondContact O-N 3.28Å; S398-E413 PolarHBondContact OG-OE2 3.36Å; E413-N415 VanDerWaalsContact C-N 3.34Å; E413-K417 IonicContact OE1-NZ 3.91Å; E413-K417 PolarHBondContact OE1-NZ 3.46Å |
| 414 | N | 72.9 | Confident | 70.4 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -75.9 | -18.4 | -179.8 | -69.9 | -19.8 | 0 | 0 | 0 | 113.6 | S398 G399 K400 Y401 A412 G416 K417 | S398-N414 WeakPolarHBondContact CB-ND2 3.27Å; S398-N414 WeakPolarHBondContact O-CB 3.41Å; S398-N414 PolarHBondContact O-N 3.32Å; S398-N414 PolarHBondContact O-ND2 3.26Å; G399-N414 VanDerWaalsContact O-CB 3.25Å; G399-N414 WeakPolarHBondContact O-CB 3.44Å; G399-N414 PolarHBondContact O-ND2 3.09Å; K400-N414 CarbonylContact O-C 3.56Å; K400-N414 VanDerWaalsContact O-CB 3.28Å; K400-N414 WeakPolarHBondContact O-CB 3.49Å; Y401-N414 WeakPolarHBondContact CA-O 3.36Å; Y401-N414 HydrophobicContact CD1-CB 3.57Å; Y401-N414 HydrophobicContact CD2-CB 4.36Å; Y401-N414 HydrophobicContact CE1-CB 3.66Å; Y401-N414 VanDerWaalsContact CE1-CG 3.41Å; Y401-N414 WeakPolarHBondContact CE1-OD1 3.45Å; Y401-N414 HydrophobicContact CE2-CB 4.47Å; Y401-N414 HydrophobicContact CG-CB 3.96Å; A412-N414 PolarHBondContact O-N 2.86Å; A412-N414 VanDerWaalsContact O-N 3.07Å; N414-G416 PolarHBondContact O-N 3.19Å; N414-G416 VanDerWaalsContact O-N 3.13Å; N414-K417 PolarHBondContact O-N 2.96Å; N414-K417 VanDerWaalsContact O-O 3.11Å |
| 415 | N | 71.1 | Confident | 71.3 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -61 | -29.9 | -173.1 | -69.3 | 170.6 | 0 | 0 | 0 | 112.7 | L370 K400 L402 V408 G410 Y411 A412 E413 | L370-N415 WeakPolarHBondContact CD1-O 3.4Å; K400-N415 VanDerWaalsContact O-CA 3.28Å; K400-N415 WeakPolarHBondContact O-CA 3.43Å; K400-N415 PolarHBondContact O-N 3.2Å; K400-N415 PolarHBondContact O-ND2 2.97Å; L402-N415 WeakPolarHBondContact CA-O 3.14Å; V408-N415 HydrophobicContact CB-CB 4.14Å; V408-N415 HydrophobicContact CG2-CB 3.67Å; G410-N415 WeakPolarHBondContact CA-OD1 3.4Å; G410-N415 PolarHBondContact N-OD1 2.53Å; Y411-N415 PolarHBondContact N-OD1 3.44Å; A412-N415 PolarHBondContact N-OD1 3Å; A412-N415 VanDerWaalsContact O-CB 3.24Å; A412-N415 WeakPolarHBondContact O-CB 3.44Å; A412-N415 PolarHBondContact O-N 2.93Å; E413-N415 VanDerWaalsContact C-N 3.34Å |
| 416 | G | 73 | Confident | 73.2 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -96.5 | 18.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L236 N414 | L236-G416 WeakPolarHBondContact CD1-O 3.41Å; N414-G416 PolarHBondContact O-N 3.19Å; N414-G416 VanDerWaalsContact O-N 3.13Å |
| 417 | K | 77.6 | Confident | 74.8 | Confident | 87 Ų | 87 | 30 Ų | 30 | 38% | 0.378 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -129.6 | 147.8 | -177.4 | -59.6 | -179.7 | -171.8 | 175.6 | 0 | 110.3 | Y401 L402 E413 N414 | Y401-K417 HydrophobicContact CD1-CB 4.19Å; Y401-K417 WeakPolarHBondContact CD1-O 3.31Å; Y401-K417 HydrophobicContact CE1-CB 4.42Å; L402-K417 VanDerWaalsContact CB-O 3.25Å; L402-K417 WeakPolarHBondContact CB-O 3.13Å; L402-K417 PolarHBondContact N-O 3.26Å; E413-K417 IonicContact OE1-NZ 3.91Å; E413-K417 PolarHBondContact OE1-NZ 3.46Å; N414-K417 PolarHBondContact O-N 2.96Å; N414-K417 VanDerWaalsContact O-O 3.11Å |
| 418 | F | 85.3 | Confident | 76.5 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | trans | -71 | 140.3 | 166.5 | -70 | -69.1 | 0 | 0 | 0 | 110.3 | L236 F237 S240 F242 L402 M403 L423 I426 | L236-F418 HydrophobicContact CD2-CE2 4.12Å; L236-F418 HydrophobicContact CD2-CZ 4.47Å; L236-F418 HydrophobicContact CG-CE2 4.11Å; F237-F418 HydrophobicContact CD1-CE2 4.42Å; F237-F418 HydrophobicContact CD2-CE2 4.48Å; F237-F418 HydrophobicContact CE1-CE2 4.17Å; F237-F418 AromaticContact CE1-CZ 3.98Å; F237-F418 HydrophobicContact CE1-CZ 3.98Å; F237-F418 HydrophobicContact CE2-CE2 4.27Å; F237-F418 HydrophobicContact CE2-CZ 4.11Å; F237-F418 HydrophobicContact CZ-CE2 4.11Å; F237-F418 AromaticContact CZ-CZ 3.68Å; F237-F418 HydrophobicContact CZ-CZ 3.68Å; S240-F418 WeakPolarHBondContact OG-CD2 3.24Å; F242-F418 HydrophobicContact CE1-CD2 4.24Å; F242-F418 HydrophobicContact CE1-CE2 4.44Å; L402-F418 HydrophobicContact CD2-CD1 4.23Å; L402-F418 HydrophobicContact CD2-CE1 3.77Å; L402-F418 HydrophobicContact CD2-CE2 4.45Å; L402-F418 HydrophobicContact CD2-CZ 3.89Å; M403-F418 HydrophobicContact CG-CD1 3.8Å; M403-F418 HydrophobicContact CG-CE1 3.94Å; M403-F418 HydrophobicContact SD-CD1 4.36Å; M403-F418 HydrophobicContact SD-CE1 3.89Å; F418-L423 HydrophobicContact CB-CD2 3.72Å; F418-L423 HydrophobicContact CB-CG 3.95Å; F418-I426 HydrophobicContact CD1-CD1 3.87Å; F418-I426 HydrophobicContact CE1-CD1 3.77Å; F418-I426 HydrophobicContact CE2-CD1 4.45Å; F418-I426 HydrophobicContact CG-CD1 4.28Å; F418-I426 HydrophobicContact CZ-CD1 4.08Å | ||
| 419 | S | 89.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -69.9 | 163 | 173.1 | 82.9 | 0 | 0 | 0 | 0 | 111.3 | D385 Y401 C421 S422 L423 | D385-S419 VanDerWaalsContact CG-OG 3.29Å; D385-S419 VanDerWaalsContact OD1-CB 3.28Å; D385-S419 WeakPolarHBondContact OD1-CB 3.34Å; D385-S419 PolarHBondContact OD1-OG 3.19Å; Y401-S419 VanDerWaalsContact CD2-CB 3.43Å; Y401-S419 VanDerWaalsContact CG-CA 3.49Å; Y401-S419 VanDerWaalsContact CG-CB 3.43Å; S419-C421 PolarHBondContact O-N 2.8Å; S419-C421 PolarHBondContact OG-N 3.24Å; S419-S422 PolarHBondContact O-N 2.83Å; S419-S422 VanDerWaalsContact O-N 3.12Å; S419-S422 PolarHBondContact OG-N 3.35Å; S419-S422 PolarHBondContact OG-OG 3.47Å; S419-L423 VanDerWaalsContact O-CG 3.29Å; S419-L423 WeakPolarHBondContact O-CG 3.44Å; S419-L423 PolarHBondContact O-N 3.07Å | ||
| 420 | P | 86.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 27.3 Ų | 27.3 | 22% | 0.221 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.6 | -36.1 | 170.9 | -27.6 | 36.6 | 0 | 0 | 0 | 113.9 | E390 R424 | E390-P420 HydrophobicContact CG-CB 3.91Å; E390-P420 HydrophobicContact CG-CG 4Å; E390-P420 VanDerWaalsContact OE1-CB 3.27Å; E390-P420 WeakPolarHBondContact OE1-CB 3.18Å; P420-R424 WeakPolarHBondContact O-CG 3.25Å; P420-R424 PolarHBondContact O-N 3.03Å; P420-R424 PolarHBondContact O-NH1 3.04Å |
| 421 | C | 89.5 | Confident | 82.5 | Confident | 19 Ų | 19 | 30.1 Ų | 30.1 | 13% | 0.128 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -47.6 | 176 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | C391 S419 L423 R424 T425 | C391-C421 HydrophobicContact CB-CB 3.68Å; C391-C421 WeakPolarHBondContact CB-SG 3.12Å; C391-C421 VanDerWaalsContact SG-CA 3.57Å; C391-C421 WeakPolarHBondContact SG-CB 3.38Å; C391-C421 PolarHBondContact SG-N 3.29Å; C391-C421 CovalentContact SG-SG 2.01Å; C391-C421 PolarHBondContact SG-SG 2.9Å; S419-C421 PolarHBondContact O-N 2.8Å; S419-C421 PolarHBondContact OG-N 3.24Å; C421-L423 VanDerWaalsContact C-N 3.29Å; C421-L423 PolarHBondContact O-N 3.07Å; C421-R424 PolarHBondContact O-N 3.04Å; C421-T425 PolarHBondContact O-N 3.32Å; C421-T425 PolarHBondContact O-OG1 2.75Å |
| 422 | S | 93.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 178.1 | -74.2 | 0 | 0 | 0 | 0 | 111.5 | D385 M403 S419 R424 T425 I426 | D385-S422 PolarHBondContact OD1-OG 3.41Å; M403-S422 WeakPolarHBondContact CB-OG 3.43Å; M403-S422 VanDerWaalsContact CG-OG 3.24Å; M403-S422 WeakPolarHBondContact CG-OG 3.36Å; S419-S422 PolarHBondContact O-N 2.83Å; S419-S422 VanDerWaalsContact O-N 3.12Å; S419-S422 PolarHBondContact OG-N 3.35Å; S419-S422 PolarHBondContact OG-OG 3.47Å; S422-R424 VanDerWaalsContact C-N 3.32Å; S422-R424 PolarHBondContact O-N 2.9Å; S422-T425 WeakPolarHBondContact CA-OG1 3.19Å; S422-T425 PolarHBondContact O-N 2.74Å; S422-T425 PolarHBondContact O-OG1 3.06Å; S422-I426 VanDerWaalsContact O-CB 3.29Å; S422-I426 WeakPolarHBondContact O-CB 3.42Å; S422-I426 VanDerWaalsContact O-CG1 3.25Å; S422-I426 WeakPolarHBondContact O-CG1 3.46Å; S422-I426 PolarHBondContact O-N 3.29Å |
| 423 | L | 90.4 | Very high | 86 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 14% | 0.141 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 176.5 | -68.4 | 172.3 | 0 | 0 | 0 | 112.5 | F242 L243 F418 S419 C421 G427 | F242-L423 HydrophobicContact CD1-CD2 3.71Å; F242-L423 HydrophobicContact CE1-CD2 4.03Å; F242-L423 HydrophobicContact CG-CD2 4.47Å; L243-L423 HydrophobicContact CG-CB 4.4Å; L243-L423 PolarHBondContact N-O 2.8Å; L243-L423 VanDerWaalsContact N-O 3.08Å; F418-L423 HydrophobicContact CB-CD2 3.72Å; F418-L423 HydrophobicContact CB-CG 3.95Å; S419-L423 VanDerWaalsContact O-CG 3.29Å; S419-L423 WeakPolarHBondContact O-CG 3.44Å; S419-L423 PolarHBondContact O-N 3.07Å; C421-L423 VanDerWaalsContact C-N 3.29Å; C421-L423 PolarHBondContact O-N 3.07Å; L423-G427 PolarHBondContact O-N 3.21Å |
| 424 | R | 91 | Very high | 87.3 | Confident | 65 Ų | 65 | 23 Ų | 23 | 25% | 0.245 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.6 | -46.3 | 175 | -70.8 | -174.8 | -67.8 | -96.3 | 9.3 | 112.7 | L243 E390 P420 C421 S422 G427 A428 | L243-R424 HydrophobicContact CB-CG 3.95Å; L243-R424 HydrophobicContact CD1-CG 3.75Å; L243-R424 HydrophobicContact CG-CG 4.47Å; E390-R424 IonicContact OE1-CZ 2.97Å; E390-R424 VanDerWaalsContact OE1-CZ 3.32Å; E390-R424 IonicContact OE1-NH1 3.91Å; E390-R424 PolarHBondContact OE1-NH1 3.14Å; E390-R424 IonicContact OE1-NH2 3.97Å; E390-R424 PolarHBondContact OE1-NH2 3.38Å; E390-R424 IonicContact OE2-CZ 3.63Å; E390-R424 IonicContact OE2-NH1 3.3Å; E390-R424 IonicContact OE2-NH2 3.36Å; E390-R424 PolarHBondContact OE2-NH2 3.4Å; P420-R424 WeakPolarHBondContact O-CG 3.25Å; P420-R424 PolarHBondContact O-N 3.03Å; P420-R424 PolarHBondContact O-NH1 3.04Å; C421-R424 PolarHBondContact O-N 3.04Å; S422-R424 VanDerWaalsContact C-N 3.32Å; S422-R424 PolarHBondContact O-N 2.9Å; R424-G427 PolarHBondContact O-N 3.48Å; R424-A428 PolarHBondContact O-N 2.86Å |
| 425 | T | 93.9 | Very high | 88.1 | Confident | 55 Ų | 55 | 23.7 Ų | 23.7 | 34% | 0.337 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69.3 | -38.4 | -177.4 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | C421 S422 C429 | C421-T425 PolarHBondContact O-N 3.32Å; C421-T425 PolarHBondContact O-OG1 2.75Å; S422-T425 WeakPolarHBondContact CA-OG1 3.19Å; S422-T425 PolarHBondContact O-N 2.74Å; S422-T425 PolarHBondContact O-OG1 3.06Å; T425-C429 PolarHBondContact O-N 3.1Å |
| 426 | I | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 170.8 | -68.8 | 170.1 | 0 | 0 | 0 | 110.4 | F242 W380 A382 F418 S422 A428 C429 L430 | F242-I426 HydrophobicContact CD1-CB 3.84Å; F242-I426 HydrophobicContact CD1-CD1 4.44Å; F242-I426 HydrophobicContact CD1-CG2 3.41Å; F242-I426 VanDerWaalsContact CD1-CG2 3.41Å; F242-I426 HydrophobicContact CE1-CB 4.04Å; F242-I426 HydrophobicContact CE1-CD1 3.89Å; F242-I426 HydrophobicContact CE1-CG2 3.46Å; F242-I426 VanDerWaalsContact CE1-CG2 3.46Å; F242-I426 HydrophobicContact CG-CG2 4.12Å; F242-I426 HydrophobicContact CZ-CG2 4.17Å; W380-I426 HydrophobicContact CB-CD1 4.39Å; W380-I426 HydrophobicContact CB-CG1 4.11Å; W380-I426 HydrophobicContact CB-CG2 4.04Å; W380-I426 HydrophobicContact CE3-CG2 3.72Å; A382-I426 HydrophobicContact CB-CD1 3.87Å; A382-I426 HydrophobicContact CB-CG1 3.81Å; F418-I426 HydrophobicContact CD1-CD1 3.87Å; F418-I426 HydrophobicContact CE1-CD1 3.77Å; F418-I426 HydrophobicContact CE2-CD1 4.45Å; F418-I426 HydrophobicContact CG-CD1 4.28Å; F418-I426 HydrophobicContact CZ-CD1 4.08Å; S422-I426 VanDerWaalsContact O-CB 3.29Å; S422-I426 WeakPolarHBondContact O-CB 3.42Å; S422-I426 VanDerWaalsContact O-CG1 3.25Å; S422-I426 WeakPolarHBondContact O-CG1 3.46Å; S422-I426 PolarHBondContact O-N 3.29Å; I426-A428 PolarHBondContact O-N 2.88Å; I426-C429 CarbonylContact O-C 3.59Å; I426-C429 WeakPolarHBondContact O-CA 3.49Å; I426-C429 WeakPolarHBondContact O-CB 3.29Å; I426-C429 PolarHBondContact O-N 3.2Å; I426-L430 HydrophobicContact CG2-CD1 3.86Å; I426-L430 HydrophobicContact CG2-CG 4.06Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 3.17Å |
| 427 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L243 L423 R424 C429 L430 V431 | L243-G427 VanDerWaalsContact O-CA 3.3Å; L243-G427 WeakPolarHBondContact O-CA 3.46Å; L423-G427 PolarHBondContact O-N 3.21Å; R424-G427 PolarHBondContact O-N 3.48Å; G427-C429 VanDerWaalsContact C-N 3.29Å; G427-C429 PolarHBondContact O-N 3.46Å; G427-L430 WeakPolarHBondContact O-CB 3.06Å; G427-L430 PolarHBondContact O-N 3.5Å; G427-L430 VanDerWaalsContact O-N 3.07Å; G427-V431 WeakPolarHBondContact O-CG2 3.49Å; G427-V431 PolarHBondContact O-N 2.82Å |
| 428 | A | 90.7 | Very high | 90.5 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -38 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P325 R424 I426 | P325-A428 HydrophobicContact CB-CB 4.37Å; R424-A428 PolarHBondContact O-N 2.86Å; I426-A428 PolarHBondContact O-N 2.88Å |
| 429 | C | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 172.7 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | S324 P325 W380 T425 I426 G427 V431 T432 R433 | S324-C429 VanDerWaalsContact C-SG 3.51Å; P325-C429 WeakPolarHBondContact CD-SG 3.08Å; P325-C429 VanDerWaalsContact N-SG 3.36Å; W380-C429 WeakPolarHBondContact O-CB 3.49Å; T425-C429 PolarHBondContact O-N 3.1Å; I426-C429 CarbonylContact O-C 3.59Å; I426-C429 WeakPolarHBondContact O-CA 3.49Å; I426-C429 WeakPolarHBondContact O-CB 3.29Å; I426-C429 PolarHBondContact O-N 3.2Å; G427-C429 VanDerWaalsContact C-N 3.29Å; G427-C429 PolarHBondContact O-N 3.46Å; C429-V431 VanDerWaalsContact C-N 3.35Å; C429-V431 PolarHBondContact O-N 3.41Å; C429-T432 PolarHBondContact O-N 3.06Å; C429-T432 PolarHBondContact O-OG1 2.65Å; C429-R433 WeakPolarHBondContact O-CB 3.38Å; C429-R433 WeakPolarHBondContact O-CG 3.44Å; C429-R433 PolarHBondContact O-N 2.97Å |
| 430 | L | 91.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | -179.3 | -74 | 174.3 | 0 | 0 | 0 | 111.9 | F242 M250 Y253 I333 W380 I426 G427 T432 R433 A434 F438 | F242-L430 HydrophobicContact CB-CD1 4.15Å; F242-L430 HydrophobicContact CD2-CD1 3.78Å; F242-L430 HydrophobicContact CE2-CD1 4.32Å; F242-L430 HydrophobicContact CG-CD1 3.89Å; M250-L430 HydrophobicContact CE-CB 3.79Å; M250-L430 HydrophobicContact CE-CD1 4.32Å; Y253-L430 HydrophobicContact CD1-CD1 4.08Å; Y253-L430 HydrophobicContact CD1-CD2 3.99Å; Y253-L430 HydrophobicContact CD2-CD1 4.3Å; Y253-L430 HydrophobicContact CE1-CD2 4.46Å; Y253-L430 HydrophobicContact CG-CD1 3.91Å; I333-L430 HydrophobicContact CD1-CD2 4.15Å; W380-L430 HydrophobicContact CE3-CD1 4.14Å; W380-L430 HydrophobicContact CE3-CD2 3.71Å; W380-L430 HydrophobicContact CE3-CG 4.19Å; W380-L430 HydrophobicContact CH2-CD2 4.36Å; W380-L430 HydrophobicContact CZ3-CD1 3.94Å; W380-L430 HydrophobicContact CZ3-CD2 3.62Å; W380-L430 HydrophobicContact CZ3-CG 4.27Å; I426-L430 HydrophobicContact CG2-CD1 3.86Å; I426-L430 HydrophobicContact CG2-CG 4.06Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 3.17Å; G427-L430 WeakPolarHBondContact O-CB 3.06Å; G427-L430 PolarHBondContact O-N 3.5Å; G427-L430 VanDerWaalsContact O-N 3.07Å; L430-T432 PolarHBondContact O-N 3.36Å; L430-R433 PolarHBondContact O-N 2.86Å; L430-A434 HydrophobicContact CD2-CB 4.46Å; L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 2.99Å; L430-F438 HydrophobicContact CD2-CE1 3.81Å; L430-F438 HydrophobicContact CD2-CZ 3.72Å |
| 431 | V | 88.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 26.9 Ų | 26.9 | 38% | 0.376 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -54.4 | -38.3 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | D244 M250 G427 C429 | D244-V431 HydrophobicContact CB-CG2 4.15Å; M250-V431 HydrophobicContact CE-CG2 4.36Å; M250-V431 HydrophobicContact SD-CG2 4.04Å; G427-V431 WeakPolarHBondContact O-CG2 3.49Å; G427-V431 PolarHBondContact O-N 2.82Å; C429-V431 VanDerWaalsContact C-N 3.35Å; C429-V431 PolarHBondContact O-N 3.41Å |
| 432 | T | 88.7 | Confident | 86.7 | Confident | 51 Ų | 51 | 28.2 Ų | 28.2 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -96.8 | -31.8 | -176.8 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | P325 C429 L430 | P325-T432 WeakPolarHBondContact O-CB 3.32Å; P325-T432 WeakPolarHBondContact O-CG2 3.27Å; P325-T432 PolarHBondContact O-OG1 3.31Å; C429-T432 PolarHBondContact O-N 3.06Å; C429-T432 PolarHBondContact O-OG1 2.65Å; L430-T432 PolarHBondContact O-N 3.36Å |
| 433 | R | 90.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -91.7 | -41.1 | -174.4 | -62 | -66.2 | -175.1 | 116.9 | -4.6 | 113.1 | S324 K329 G331 I333 C334 C429 L430 L436 | S324-R433 VanDerWaalsContact O-CZ 3.23Å; S324-R433 PolarHBondContact O-NE 2.94Å; S324-R433 PolarHBondContact O-NH2 3.48Å; K329-R433 PolarHBondContact O-NH2 3.19Å; G331-R433 PolarHBondContact O-NH1 3.04Å; I333-R433 HydrophobicContact CD1-CB 3.98Å; I333-R433 HydrophobicContact CG1-CB 4.08Å; I333-R433 HydrophobicContact CG1-CG 4.33Å; I333-R433 PolarHBondContact O-NH1 3.4Å; C334-R433 PolarHBondContact SG-O 3.03Å; C429-R433 WeakPolarHBondContact O-CB 3.38Å; C429-R433 WeakPolarHBondContact O-CG 3.44Å; C429-R433 PolarHBondContact O-N 2.97Å; L430-R433 PolarHBondContact O-N 2.86Å; R433-L436 VanDerWaalsContact O-CB 3.24Å; R433-L436 WeakPolarHBondContact O-CB 3.46Å; R433-L436 WeakPolarHBondContact O-CG 3Å; R433-L436 PolarHBondContact O-N 2.99Å |
| 434 | A | 90.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.8 | -43.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y253 L430 L436 C437 F438 | Y253-A434 HydrophobicContact CE1-CB 4.05Å; L430-A434 HydrophobicContact CD2-CB 4.46Å; L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 2.99Å; A434-L436 PolarHBondContact O-N 2.96Å; A434-C437 PolarHBondContact O-N 3.39Å; A434-F438 HydrophobicContact CB-CB 4.11Å; A434-F438 HydrophobicContact CB-CD1 3.67Å; A434-F438 HydrophobicContact CB-CD2 3.98Å; A434-F438 HydrophobicContact CB-CE1 4.05Å; A434-F438 HydrophobicContact CB-CE2 4.28Å; A434-F438 HydrophobicContact CB-CG 3.65Å; A434-F438 HydrophobicContact CB-CZ 4.31Å; A434-F438 VanDerWaalsContact O-CB 3.27Å; A434-F438 WeakPolarHBondContact O-CB 3.42Å; A434-F438 PolarHBondContact O-N 3.11Å |
| 435 | P | 89.2 | Confident | 80.7 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -15.4 | 175.7 | -24.4 | 35.6 | 0 | 0 | 0 | 114.9 | F190 Q194 | F190-P435 HydrophobicContact CD2-CB 4.45Å; F190-P435 HydrophobicContact CE2-CB 4.23Å; F190-P435 HydrophobicContact CE2-CG 4.28Å; Q194-P435 VanDerWaalsContact CD-O 3.26Å; Q194-P435 PolarHBondContact NE2-O 3.17Å; Q194-P435 PolarHBondContact OE1-O 3.18Å |
| 436 | L | 89.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 32.7 Ų | 32.7 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.7 | -41.7 | -179.6 | -56.4 | 178.1 | 0 | 0 | 0 | 112 | K188 C334 R433 A434 | K188-L436 PolarHBondContact NZ-O 2.95Å; C334-L436 HydrophobicContact CB-CB 3.99Å; C334-L436 HydrophobicContact CB-CD1 4.31Å; R433-L436 VanDerWaalsContact O-CB 3.24Å; R433-L436 WeakPolarHBondContact O-CB 3.46Å; R433-L436 WeakPolarHBondContact O-CG 3Å; R433-L436 PolarHBondContact O-N 2.99Å; A434-L436 PolarHBondContact O-N 2.96Å |
| 437 | C | 91.3 | Very high | 75.9 | Confident | 38 Ų | 38 | 40 Ų | 40 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -147.6 | -3.3 | -168.2 | 87.5 | 0 | 0 | 0 | 0 | 116.9 | C302 C334 A434 | C302-C437 WeakPolarHBondContact CB-SG 3.24Å; C334-C437 WeakPolarHBondContact CA-SG 3.45Å; C334-C437 HydrophobicContact CB-CB 3.86Å; C334-C437 WeakPolarHBondContact CB-SG 3.43Å; C334-C437 WeakPolarHBondContact SG-CB 3.29Å; C334-C437 CovalentContact SG-SG 2.04Å; C334-C437 PolarHBondContact SG-SG 3.36Å; A434-C437 PolarHBondContact O-N 3.39Å |
| 438 | F | 91.3 | Very high | 74.2 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | trans | -73.1 | 150.3 | 176.7 | -77.2 | -145.1 | 0 | 0 | 0 | 110.2 | S197 K198 L199 C200 Y253 C302 I333 W380 L430 A434 | S197-F438 WeakPolarHBondContact CB-O 3.12Å; S197-F438 PolarHBondContact OG-O 3.3Å; K198-F438 VanDerWaalsContact C-CD1 3.47Å; K198-F438 WeakPolarHBondContact O-CD1 3.28Å; L199-F438 WeakPolarHBondContact O-CA 3.17Å; C200-F438 HydrophobicContact CB-CD1 4.45Å; C200-F438 HydrophobicContact CB-CD2 4.17Å; C200-F438 HydrophobicContact CB-CE1 3.93Å; C200-F438 HydrophobicContact CB-CE2 3.67Å; C200-F438 HydrophobicContact CB-CZ 3.53Å; Y253-F438 HydrophobicContact CD1-CD1 4.09Å; Y253-F438 AromaticContact CD1-CE1 3.89Å; Y253-F438 HydrophobicContact CD1-CE1 3.89Å; Y253-F438 HydrophobicContact CE1-CD1 4.42Å; C302-F438 WeakPolarHBondContact SG-CE2 3.2Å; I333-F438 HydrophobicContact CB-CE2 4.49Å; I333-F438 HydrophobicContact CD1-CE2 4.05Å; I333-F438 HydrophobicContact CD1-CZ 3.96Å; W380-F438 HydrophobicContact CH2-CE1 4.09Å; W380-F438 HydrophobicContact CH2-CZ 4.21Å; W380-F438 HydrophobicContact CZ2-CE1 4.43Å; W380-F438 HydrophobicContact CZ2-CZ 4.19Å; L430-F438 HydrophobicContact CD2-CE1 3.81Å; L430-F438 HydrophobicContact CD2-CZ 3.72Å; A434-F438 HydrophobicContact CB-CB 4.11Å; A434-F438 HydrophobicContact CB-CD1 3.67Å; A434-F438 HydrophobicContact CB-CD2 3.98Å; A434-F438 HydrophobicContact CB-CE1 4.05Å; A434-F438 HydrophobicContact CB-CE2 4.28Å; A434-F438 HydrophobicContact CB-CG 3.65Å; A434-F438 HydrophobicContact CB-CZ 4.31Å; A434-F438 VanDerWaalsContact O-CB 3.27Å; A434-F438 WeakPolarHBondContact O-CB 3.42Å; A434-F438 PolarHBondContact O-N 3.11Å | ||
| 439 | E | 82.9 | Confident | 72.8 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 153.1 | -177.5 | -69.9 | 176.5 | -145.9 | 0 | 0 | 111 | S197 K198 L199 R201 S441 | S197-E439 CarbonylContact C-O 3.55Å; S197-E439 VanDerWaalsContact CA-O 3.28Å; S197-E439 WeakPolarHBondContact CA-O 3.49Å; K198-E439 PolarHBondContact N-O 3.25Å; K198-E439 VanDerWaalsContact N-O 3.08Å; L199-E439 PolarHBondContact N-O 3.43Å; L199-E439 VanDerWaalsContact N-O 3.15Å; L199-E439 PolarHBondContact O-N 2.93Å; R201-E439 IonicContact CZ-OE1 2.78Å; R201-E439 IonicContact CZ-OE2 3.89Å; R201-E439 IonicContact NE-OE1 3.75Å; R201-E439 PolarHBondContact NE-OE1 3.22Å; R201-E439 IonicContact NE-OE2 3.33Å; R201-E439 IonicContact NH2-OE1 3.8Å; R201-E439 PolarHBondContact NH2-OE1 3.46Å; R201-E439 IonicContact NH2-OE2 3.5Å; R201-E439 PolarHBondContact NH2-OE2 2.92Å; E439-S441 PolarHBondContact O-N 2.73Å |
| 440 | D | 71.2 | Confident | 71.2 | Confident | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132.8 | 177.1 | -174.1 | -5.2 | 0 | 0 | 0 | 109.6 | S442 V443 | D440-S442 PolarHBondContact O-N 2.91Å; D440-S442 PolarHBondContact OD1-N 3.25Å; D440-S442 PolarHBondContact OD1-OG 2.66Å; D440-S442 WeakPolarHBondContact OD2-CB 3.42Å; D440-S442 PolarHBondContact OD2-OG 3.08Å; D440-V443 PolarHBondContact O-N 2.9Å |
| 441 | S | 62.5 | Low | 69.5 | Low | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26 | 172 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | E439 V443 A444 L445 | E439-S441 PolarHBondContact O-N 2.73Å; S441-V443 PolarHBondContact O-N 2.85Å; S441-A444 CarbonylContact O-C 3.56Å; S441-A444 WeakPolarHBondContact O-CA 2.92Å; S441-A444 WeakPolarHBondContact O-CB 3.46Å; S441-A444 PolarHBondContact O-N 3.4Å; S441-L445 WeakPolarHBondContact O-CB 3.24Å; S441-L445 WeakPolarHBondContact O-CD1 3.46Å; S441-L445 PolarHBondContact O-N 3.11Å |
| 442 | S | 56.2 | Low | 68 | Low | 48 Ų | 48 | 45 Ų | 45 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.6 | -32.6 | 172.5 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | D440 A444 L445 S446 | D440-S442 PolarHBondContact O-N 2.91Å; D440-S442 PolarHBondContact OD1-N 3.25Å; D440-S442 PolarHBondContact OD1-OG 2.66Å; D440-S442 WeakPolarHBondContact OD2-CB 3.42Å; D440-S442 PolarHBondContact OD2-OG 3.08Å; S442-A444 PolarHBondContact O-N 3.31Å; S442-A444 VanDerWaalsContact O-N 3.17Å; S442-L445 PolarHBondContact O-N 3.09Å; S442-S446 WeakPolarHBondContact O-CA 3.48Å; S442-S446 WeakPolarHBondContact O-CB 3.28Å; S442-S446 PolarHBondContact O-N 3.17Å; S442-S446 PolarHBondContact O-OG 3.19Å |
| 443 | V | 51.2 | Low | 66.5 | Low | 70 Ų | 70 | 45.2 Ų | 45.2 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -27.8 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 112 | D440 S441 | D440-V443 PolarHBondContact O-N 2.9Å; S441-V443 PolarHBondContact O-N 2.85Å |
| 444 | A | 49.8 | Very low | 65.1 | Low | 28 Ų | 28 | 48 Ų | 48 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -93.3 | -32.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F69 L199 L256 S441 S442 | F69-A444 HydrophobicContact CD1-CB 4.19Å; L199-A444 HydrophobicContact CD1-CB 3.62Å; L256-A444 HydrophobicContact CD1-CB 4.45Å; S441-A444 CarbonylContact O-C 3.56Å; S441-A444 WeakPolarHBondContact O-CA 2.92Å; S441-A444 WeakPolarHBondContact O-CB 3.46Å; S441-A444 PolarHBondContact O-N 3.4Å; S442-A444 PolarHBondContact O-N 3.31Å; S442-A444 VanDerWaalsContact O-N 3.17Å |
| 445 | L | 47.7 | Very low | 63.4 | Low | 65 Ų | 65 | 48.9 Ų | 48.9 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -94.8 | -22.6 | -174.1 | -90.5 | 105.8 | 0 | 0 | 0 | 114.6 | S441 S442 N447 L448 | S441-L445 WeakPolarHBondContact O-CB 3.24Å; S441-L445 WeakPolarHBondContact O-CD1 3.46Å; S441-L445 PolarHBondContact O-N 3.11Å; S442-L445 PolarHBondContact O-N 3.09Å; L445-N447 PolarHBondContact O-N 2.8Å; L445-L448 HydrophobicContact CB-CD1 3.99Å; L445-L448 HydrophobicContact CD2-CD1 3.78Å; L445-L448 HydrophobicContact CG-CD1 3.52Å; L445-L448 WeakPolarHBondContact O-CG 3.07Å; L445-L448 PolarHBondContact O-N 3.46Å |
| 446 | S | 41.4 | Very low | 61.7 | Low | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 15.1 | -165.7 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | S442 | S442-S446 WeakPolarHBondContact O-CA 3.48Å; S442-S446 WeakPolarHBondContact O-CB 3.28Å; S442-S446 PolarHBondContact O-N 3.17Å; S442-S446 PolarHBondContact O-OG 3.19Å |
| 447 | N | 45 | Very low | 60.6 | Low | 154 Ų | 154 | 56.8 Ų | 56.8 | 82% | 0.824 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149 | 36.4 | 170.4 | -77.5 | -47.4 | 0 | 0 | 0 | 110.9 | L445 | L445-N447 PolarHBondContact O-N 2.8Š|
| 448 | L | 55.3 | Low | 59.7 | Low | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | trans | -81.6 | -27.8 | 179.6 | -74.5 | 179.3 | 0 | 0 | 0 | 113.4 | T67 L445 G450 N451 D455 | T67-L448 HydrophobicContact CG2-CD2 3.9Å; L445-L448 HydrophobicContact CB-CD1 3.99Å; L445-L448 HydrophobicContact CD2-CD1 3.78Å; L445-L448 HydrophobicContact CG-CD1 3.52Å; L445-L448 WeakPolarHBondContact O-CG 3.07Å; L445-L448 PolarHBondContact O-N 3.46Å; L448-G450 PolarHBondContact O-N 2.93Å; L448-G450 VanDerWaalsContact O-N 3.17Å; L448-N451 VanDerWaalsContact O-CB 3.24Å; L448-N451 WeakPolarHBondContact O-CB 3.47Å; L448-N451 PolarHBondContact O-N 2.04Å; L448-N451 VanDerWaalsContact O-N 3.16Å; L448-N451 PolarHBondContact O-ND2 2.56Å; L448-N451 VanDerWaalsContact O-ND2 3.09Å; L448-D455 WeakPolarHBondContact CB-OD2 3.45Å; L448-D455 WeakPolarHBondContact CD1-OD2 3.31Å | ||
| 449 | C | 61.7 | Low | 59.2 | Low | 40 Ų | 40 | 60.6 Ų | 60.6 | 27% | 0.27 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 126.2 | 174 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | E458 S473 C475 | C449-E458 WeakPolarHBondContact CA-OE1 3.4Å; C449-E458 PolarHBondContact N-OE1 3.17Å; C449-S473 VanDerWaalsContact SG-C 3.52Å; C449-S473 PolarHBondContact SG-O 2.71Å; C449-C475 WeakPolarHBondContact CA-SG 3.37Å; C449-C475 HydrophobicContact CB-CB 3.62Å; C449-C475 WeakPolarHBondContact CB-SG 3.45Å; C449-C475 VanDerWaalsContact SG-CA 3.52Å; C449-C475 WeakPolarHBondContact SG-CB 3.43Å; C449-C475 PolarHBondContact SG-N 3.13Å; C449-C475 CovalentContact SG-SG 2.03Å; C449-C475 PolarHBondContact SG-SG 3.2Å |
| 450 | G | 58.6 | Low | 59.1 | Low | 16 Ų | 16 | 58.2 Ų | 58.2 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 16.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L448 D461 G463 R464 C475 | L448-G450 PolarHBondContact O-N 2.93Å; L448-G450 VanDerWaalsContact O-N 3.17Å; G450-D461 WeakPolarHBondContact CA-OD1 3.39Å; G450-D461 VanDerWaalsContact N-CG 3.32Å; G450-D461 PolarHBondContact N-OD1 3.25Å; G450-D461 PolarHBondContact N-OD2 2.04Å; G450-G463 CarbonylContact O-C 3.56Å; G450-G463 WeakPolarHBondContact O-CA 3.37Å; G450-R464 WeakPolarHBondContact O-CG 3.46Å; G450-R464 PolarHBondContact O-N 3.21Å; G450-C475 PolarHBondContact N-SG 3.07Å |
| 451 | N | 56.7 | Low | 58.9 | Low | 52 Ų | 52 | 56 Ų | 56 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -98.2 | -3 | 176 | 75.1 | 24.7 | 0 | 0 | 0 | 113.5 | L448 R453 D455 D461 | L448-N451 VanDerWaalsContact O-CB 3.24Å; L448-N451 WeakPolarHBondContact O-CB 3.47Å; L448-N451 PolarHBondContact O-N 2.04Å; L448-N451 VanDerWaalsContact O-N 3.16Å; L448-N451 PolarHBondContact O-ND2 2.56Å; L448-N451 VanDerWaalsContact O-ND2 3.09Å; N451-R453 WeakPolarHBondContact OD1-CA 3.2Å; N451-R453 VanDerWaalsContact OD1-CB 3.23Å; N451-R453 WeakPolarHBondContact OD1-CB 3.28Å; N451-R453 PolarHBondContact OD1-N 3.45Å; N451-R453 PolarHBondContact OD1-O 2.93Å; N451-D455 PolarHBondContact ND2-OD2 3.32Å; N451-D461 PolarHBondContact N-OD1 2.86Å; N451-D461 PolarHBondContact N-OD2 2.94Å; N451-D461 PolarHBondContact OD1-OD2 3.06Å |
| 452 | S | 57.3 | Low | 59.1 | Low | 51 Ų | 51 | 55.3 Ų | 55.3 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 69.6 | 18.2 | -177.4 | -50 | 0 | 0 | 0 | 0 | 116.7 | D461 G463 | S452-D461 VanDerWaalsContact CA-O 3.32Å; S452-D461 WeakPolarHBondContact CA-O 3.34Å; S452-D461 WeakPolarHBondContact CA-OD1 3.27Å; S452-D461 PolarHBondContact N-OD1 2.91Å; S452-D461 PolarHBondContact N-OD2 2.97Å; S452-G463 WeakPolarHBondContact OG-CA 3.24Å; S452-G463 PolarHBondContact OG-N 2.85Å |
| 453 | R | 57.7 | Low | 59.2 | Low | 56 Ų | 56 | 53.8 Ų | 53.8 | 21% | 0.211 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -119.7 | 136.1 | 173.3 | -178.9 | 179.2 | 77.4 | -166.6 | -0.4 | 107.7 | E66 T67 N451 D455 E458 D461 | E66-R453 IonicContact OE2-CZ 2.95Å; E66-R453 IonicContact OE2-NH1 3.8Å; E66-R453 PolarHBondContact OE2-NH1 3.5Å; T67-R453 PolarHBondContact OG1-NH1 2.88Å; T67-R453 PolarHBondContact OG1-NH2 3.4Å; N451-R453 WeakPolarHBondContact OD1-CA 3.2Å; N451-R453 VanDerWaalsContact OD1-CB 3.23Å; N451-R453 WeakPolarHBondContact OD1-CB 3.28Å; N451-R453 PolarHBondContact OD1-N 3.45Å; N451-R453 PolarHBondContact OD1-O 2.93Å; R453-D455 IonicContact CZ-OD1 3.51Å; R453-D455 IonicContact CZ-OD2 3.01Å; R453-D455 IonicContact NE-OD1 3.97Å; R453-D455 PolarHBondContact NE-OD1 2.88Å; R453-D455 IonicContact NE-OD2 3.71Å; R453-D455 IonicContact NH2-OD1 3.61Å; R453-D455 PolarHBondContact NH2-OD1 3.48Å; R453-D455 IonicContact NH2-OD2 2.67Å; R453-D455 PolarHBondContact NH2-OD2 3.1Å; R453-D455 PolarHBondContact O-N 2.74Å; R453-E458 VanDerWaalsContact O-OE2 3.05Å; R453-D461 VanDerWaalsContact O-CB 3.29Å; R453-D461 WeakPolarHBondContact O-CB 3.45Å |
| 454 | I | 59.6 | Low | 59.4 | Low | 65 Ų | 65 | 61.6 Ų | 61.6 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | trans | -76.6 | 108.4 | 170.5 | -62.3 | 175.3 | 0 | 0 | 0 | 107.7 | E458 E459 N487 | I454-E458 HydrophobicContact CG2-CB 4.13Å; I454-E458 VanDerWaalsContact CG2-O 3.25Å; I454-E458 WeakPolarHBondContact CG2-O 3.47Å; I454-E459 WeakPolarHBondContact CD1-O 3.4Å; I454-N487 HydrophobicContact CD1-CB 3.44Å; I454-N487 VanDerWaalsContact CD1-CB 3.44Å; I454-N487 HydrophobicContact CG1-CB 3.79Å | ||
| 455 | D | 56.2 | Low | 59.9 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | trans | -86.4 | 168.1 | 173.2 | -74.9 | -50.1 | 0 | 0 | 0 | 112.2 | L448 N451 R453 G457 E458 | L448-D455 WeakPolarHBondContact CB-OD2 3.45Å; L448-D455 WeakPolarHBondContact CD1-OD2 3.31Å; N451-D455 PolarHBondContact ND2-OD2 3.32Å; R453-D455 IonicContact CZ-OD1 3.51Å; R453-D455 IonicContact CZ-OD2 3.01Å; R453-D455 IonicContact NE-OD1 3.97Å; R453-D455 PolarHBondContact NE-OD1 2.88Å; R453-D455 IonicContact NE-OD2 3.71Å; R453-D455 IonicContact NH2-OD1 3.61Å; R453-D455 PolarHBondContact NH2-OD1 3.48Å; R453-D455 IonicContact NH2-OD2 2.67Å; R453-D455 PolarHBondContact NH2-OD2 3.1Å; R453-D455 PolarHBondContact O-N 2.74Å; D455-G457 PolarHBondContact O-N 3.28Å; D455-G457 VanDerWaalsContact O-N 3.14Å; D455-E458 HydrophobicContact CB-CG 4.32Å; D455-E458 PolarHBondContact N-OE2 2.86Å; D455-E458 WeakPolarHBondContact O-CB 3.48Å; D455-E458 PolarHBondContact O-N 3.06Å | ||
| 456 | E | 53.2 | Low | 60.5 | Low | 198 Ų | 198 | 63.5 Ų | 63.5 | 93% | 0.925 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 119.8 | 178.6 | -170.6 | 179.8 | -177.5 | 0 | 0 | 110.4 | ||
| 457 | G | 66.2 | Low | 62 | Low | 58 Ų | 58 | 67.4 Ų | 67.4 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -9.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D455 | D455-G457 PolarHBondContact O-N 3.28Å; D455-G457 VanDerWaalsContact O-N 3.14Å |
| 458 | E | 72.2 | Confident | 63.6 | Low | 36 Ų | 36 | 60.3 Ų | 60.3 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | trans | -91.5 | 152.6 | 173.3 | -61.3 | 179.2 | 167.7 | 0 | 0 | 111 | C449 R453 I454 D455 C475 | C449-E458 WeakPolarHBondContact CA-OE1 3.4Å; C449-E458 PolarHBondContact N-OE1 3.17Å; R453-E458 VanDerWaalsContact O-OE2 3.05Å; I454-E458 HydrophobicContact CG2-CB 4.13Å; I454-E458 VanDerWaalsContact CG2-O 3.25Å; I454-E458 WeakPolarHBondContact CG2-O 3.47Å; D455-E458 HydrophobicContact CB-CG 4.32Å; D455-E458 PolarHBondContact N-OE2 2.86Å; D455-E458 WeakPolarHBondContact O-CB 3.48Å; D455-E458 PolarHBondContact O-N 3.06Å; E458-C475 HydrophobicContact CB-CB 3.98Å; E458-C475 HydrophobicContact CG-CB 3.69Å | ||
| 459 | E | 81.6 | Confident | 65 | Low | 88 Ų | 88 | 63.1 Ų | 63.1 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -103.9 | -27.2 | 174.3 | -61.2 | -178.6 | 138.3 | 0 | 0 | 111.8 | I454 C475 Y476 F477 H488 | I454-E459 WeakPolarHBondContact CD1-O 3.4Å; E459-C475 PolarHBondContact N-O 2.72Å; E459-Y476 HydrophobicContact CG-CD1 4.1Å; E459-F477 HydrophobicContact CB-CD2 3.59Å; E459-F477 HydrophobicContact CB-CE2 3.65Å; E459-F477 HydrophobicContact CB-CG 4.04Å; E459-F477 HydrophobicContact CB-CZ 4.13Å; E459-F477 HydrophobicContact CG-CD2 4.21Å; E459-F477 HydrophobicContact CG-CE2 4.45Å; E459-F477 WeakPolarHBondContact O-CZ 3.25Å; E459-F477 PolarHBondContact OE2-N 3.12Å; E459-H488 PolarHBondContact O-CE1 2.68Å |
| 460 | C | 79.3 | Confident | 66.4 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -156.7 | 159.8 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | C471 C475 Y476 F477 | C460-C471 HydrophobicContact CB-CB 3.86Å; C460-C471 WeakPolarHBondContact CB-SG 3.44Å; C460-C471 PolarHBondContact O-SG 3.01Å; C460-C471 WeakPolarHBondContact SG-CA 3.18Å; C460-C471 WeakPolarHBondContact SG-CB 3.31Å; C460-C471 CovalentContact SG-SG 2.04Å; C460-C471 PolarHBondContact SG-SG 3.1Å; C460-C475 PolarHBondContact N-O 3.28Å; C460-C475 VanDerWaalsContact N-O 3.17Å; C460-C475 CarbonylContact O-C 3.45Å; C460-C475 VanDerWaalsContact O-C 3.27Å; C460-C475 WeakPolarHBondContact O-CA 3.49Å; C460-C475 WeakPolarHBondContact O-CB 3.42Å; C460-C475 PolarHBondContact O-SG 3.28Å; C460-Y476 PolarHBondContact SG-O 2.95Å; C460-F477 HydrophobicContact CB-CD1 3.88Å; C460-F477 HydrophobicContact CB-CE1 3.63Å; C460-F477 HydrophobicContact CB-CZ 4.48Å | ||
| 461 | D | 66.9 | Low | 67.6 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -147.4 | 103.4 | 166.9 | -174.4 | -27 | 0 | 0 | 0 | 108.5 | G450 N451 S452 R453 G463 N487 | G450-D461 WeakPolarHBondContact CA-OD1 3.39Å; G450-D461 VanDerWaalsContact N-CG 3.32Å; G450-D461 PolarHBondContact N-OD1 3.25Å; G450-D461 PolarHBondContact N-OD2 2.04Å; N451-D461 PolarHBondContact N-OD1 2.86Å; N451-D461 PolarHBondContact N-OD2 2.94Å; N451-D461 PolarHBondContact OD1-OD2 3.06Å; S452-D461 VanDerWaalsContact CA-O 3.32Å; S452-D461 WeakPolarHBondContact CA-O 3.34Å; S452-D461 WeakPolarHBondContact CA-OD1 3.27Å; S452-D461 PolarHBondContact N-OD1 2.91Å; S452-D461 PolarHBondContact N-OD2 2.97Å; R453-D461 VanDerWaalsContact O-CB 3.29Å; R453-D461 WeakPolarHBondContact O-CB 3.45Å; D461-G463 PolarHBondContact O-N 2.59Å; D461-G463 VanDerWaalsContact OD1-CA 3.23Å; D461-G463 WeakPolarHBondContact OD1-CA 3.29Å; D461-G463 PolarHBondContact OD1-N 2.93Å; D461-N487 VanDerWaalsContact N-CG 3.35Å; D461-N487 PolarHBondContact N-ND2 3.07Å; D461-N487 PolarHBondContact N-OD1 3.1Å; D461-N487 PolarHBondContact O-ND2 3.05Å; D461-N487 PolarHBondContact O-OD1 3.06Å | ||
| 462 | A | 67.8 | Low | 68.8 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | trans | -83.9 | 15.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D468 C471 W486 | A462-D468 HydrophobicContact CB-CB 3.47Å; A462-D468 VanDerWaalsContact CB-CB 3.47Å; A462-C471 HydrophobicContact CB-CB 3.83Å; A462-W486 HydrophobicContact CB-CB 4.38Å; A462-W486 HydrophobicContact CB-CG 4.07Å | ||
| 463 | G | 58.7 | Low | 69.6 | Low | 15 Ų | 15 | 60.2 Ų | 60.2 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | trans | 71.5 | -164.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G450 S452 D461 N465 | G450-G463 CarbonylContact O-C 3.56Å; G450-G463 WeakPolarHBondContact O-CA 3.37Å; S452-G463 WeakPolarHBondContact OG-CA 3.24Å; S452-G463 PolarHBondContact OG-N 2.85Å; D461-G463 PolarHBondContact O-N 2.59Å; D461-G463 VanDerWaalsContact OD1-CA 3.23Å; D461-G463 WeakPolarHBondContact OD1-CA 3.29Å; D461-G463 PolarHBondContact OD1-N 2.93Å; G463-N465 PolarHBondContact O-N 2.97Å | ||
| 464 | R | 55.4 | Low | 70.2 | Confident | 235 Ų | 235 | 63.1 Ų | 63.1 | 89% | 0.887 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73 | 46.8 | 171.5 | -62.8 | -174.5 | -174.4 | -177.5 | -1.7 | 112.4 | G450 P466 | G450-R464 WeakPolarHBondContact O-CG 3.46Å; G450-R464 PolarHBondContact O-N 3.21Å; R464-P466 VanDerWaalsContact O-CD 3.28Å; R464-P466 WeakPolarHBondContact O-CD 3.33Å |
| 465 | N | 60.3 | Low | 70.9 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | trans | -105.3 | 90.5 | 171.3 | -176.6 | 14.2 | 0 | 0 | 0 | 109.4 | G463 H467 D468 | G463-N465 PolarHBondContact O-N 2.97Å; N465-H467 PolarHBondContact O-N 3.07Å; N465-H467 PolarHBondContact OD1-N 3.44Å; N465-D468 PolarHBondContact O-N 2.97Å | ||
| 466 | P | 60 | Low | 72.3 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.4 | -179.4 | 27.7 | -34.6 | 0 | 0 | 0 | 113.3 | R464 R478 | R464-P466 VanDerWaalsContact O-CD 3.28Å; R464-P466 WeakPolarHBondContact O-CD 3.33Å; P466-R478 PolarHBondContact O-NH2 3.47Å |
| 467 | H | 72.1 | Confident | 74 | Confident | 162 Ų | 162 | 57.9 Ų | 57.9 | 75% | 0.75 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 12.1 | -178.9 | -58.4 | -61 | 0 | 0 | 0 | 113.5 | N465 | N465-H467 PolarHBondContact O-N 3.07Å; N465-H467 PolarHBondContact OD1-N 3.44Å |
| 468 | D | 79.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -63.6 | 129.2 | 175 | -169.4 | -101.5 | 0 | 0 | 0 | 111.1 | A462 N465 C470 C471 R478 W486 | A462-D468 HydrophobicContact CB-CB 3.47Å; A462-D468 VanDerWaalsContact CB-CB 3.47Å; N465-D468 PolarHBondContact O-N 2.97Å; D468-C470 PolarHBondContact O-N 2.98Å; D468-C470 WeakPolarHBondContact OD1-CA 3.4Å; D468-C470 WeakPolarHBondContact OD1-CB 3.36Å; D468-C470 PolarHBondContact OD1-N 2.93Å; D468-C471 HydrophobicContact CB-CB 4.36Å; D468-C471 WeakPolarHBondContact OD1-CB 3.34Å; D468-C471 PolarHBondContact OD1-N 2.99Å; D468-R478 WeakPolarHBondContact O-CD 3.45Å; D468-R478 PolarHBondContact O-NE 2.78Å; D468-W486 PolarHBondContact OD2-NE1 3.08Å | ||
| 469 | P | 85.2 | Confident | 76 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -70.9 | -20.8 | -177.7 | 27.6 | -34.5 | 0 | 0 | 0 | 113 | R478 C495 | P469-R478 WeakPolarHBondContact O-CD 3.27Å; P469-C495 VanDerWaalsContact C-SG 3.6Å |
| 470 | C | 90.1 | Very high | 76.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -101.5 | -31.8 | -173.5 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | D468 F477 R478 A481 C483 P485 C495 | D468-C470 PolarHBondContact O-N 2.98Å; D468-C470 WeakPolarHBondContact OD1-CA 3.4Å; D468-C470 WeakPolarHBondContact OD1-CB 3.36Å; D468-C470 PolarHBondContact OD1-N 2.93Å; C470-F477 WeakPolarHBondContact O-CA 3.3Å; C470-R478 PolarHBondContact O-N 2.92Å; C470-A481 HydrophobicContact CB-CB 4.25Å; C470-C483 WeakPolarHBondContact CB-O 3.29Å; C470-P485 WeakPolarHBondContact SG-CD 3.43Å; C470-C495 WeakPolarHBondContact CA-SG 3.39Å; C470-C495 HydrophobicContact CB-CB 3.66Å; C470-C495 WeakPolarHBondContact CB-SG 3.34Å; C470-C495 PolarHBondContact N-SG 3.13Å; C470-C495 VanDerWaalsContact N-SG 3.42Å; C470-C495 VanDerWaalsContact SG-CA 3.52Å; C470-C495 WeakPolarHBondContact SG-CB 3.43Å; C470-C495 CovalentContact SG-SG 2.02Å; C470-C495 PolarHBondContact SG-SG 2.93Å |
| 471 | C | 83.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -118.8 | 138.1 | -171.2 | -155.2 | 0 | 0 | 0 | 0 | 113.4 | C460 A462 D468 R478 | C460-C471 HydrophobicContact CB-CB 3.86Å; C460-C471 WeakPolarHBondContact CB-SG 3.44Å; C460-C471 PolarHBondContact O-SG 3.01Å; C460-C471 WeakPolarHBondContact SG-CA 3.18Å; C460-C471 WeakPolarHBondContact SG-CB 3.31Å; C460-C471 CovalentContact SG-SG 2.04Å; C460-C471 PolarHBondContact SG-SG 3.1Å; A462-C471 HydrophobicContact CB-CB 3.83Å; D468-C471 HydrophobicContact CB-CB 4.36Å; D468-C471 WeakPolarHBondContact OD1-CB 3.34Å; D468-C471 PolarHBondContact OD1-N 2.99Å; C471-R478 PolarHBondContact O-NE 2.87Å; C471-R478 PolarHBondContact O-NH2 3.25Å |
| 472 | S | 82.3 | Confident | 78.1 | Confident | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | trans | -81.3 | 167.5 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | E474 C475 Y476 | S472-E474 PolarHBondContact O-N 3.48Å; S472-C475 PolarHBondContact O-N 3.26Å; S472-C475 PolarHBondContact OG-N 2.8Å; S472-Y476 WeakPolarHBondContact CB-O 3.02Å; S472-Y476 PolarHBondContact N-O 3.09Å; S472-Y476 PolarHBondContact OG-N 3.31Å; S472-Y476 PolarHBondContact OG-O 2.83Å | ||
| 473 | S | 73.8 | Confident | 79 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -9.5 | 172.5 | 37.6 | 0 | 0 | 0 | 0 | 113.6 | C449 | C449-S473 VanDerWaalsContact SG-C 3.52Å; C449-S473 PolarHBondContact SG-O 2.71Å |
| 474 | E | 71.7 | Confident | 80.1 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 8 | 177.5 | -58.7 | 69.6 | -142.5 | 0 | 0 | 112.1 | S472 Y476 | S472-E474 PolarHBondContact O-N 3.48Å; E474-Y476 VanDerWaalsContact C-N 3.34Å; E474-Y476 HydrophobicContact CB-CD2 3.9Å; E474-Y476 HydrophobicContact CB-CE2 4.19Å; E474-Y476 WeakPolarHBondContact O-CD2 3.19Å; E474-Y476 VanDerWaalsContact O-CE2 3.3Å; E474-Y476 WeakPolarHBondContact O-CE2 3.43Å; E474-Y476 PolarHBondContact O-N 3.32Å |
| 475 | C | 74.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 69.1 | 28.4 | 172.6 | -70.6 | 0 | 0 | 0 | 0 | 115.1 | C449 G450 E458 E459 C460 S472 | C449-C475 WeakPolarHBondContact CA-SG 3.37Å; C449-C475 HydrophobicContact CB-CB 3.62Å; C449-C475 WeakPolarHBondContact CB-SG 3.45Å; C449-C475 VanDerWaalsContact SG-CA 3.52Å; C449-C475 WeakPolarHBondContact SG-CB 3.43Å; C449-C475 PolarHBondContact SG-N 3.13Å; C449-C475 CovalentContact SG-SG 2.03Å; C449-C475 PolarHBondContact SG-SG 3.2Å; G450-C475 PolarHBondContact N-SG 3.07Å; E458-C475 HydrophobicContact CB-CB 3.98Å; E458-C475 HydrophobicContact CG-CB 3.69Å; E459-C475 PolarHBondContact N-O 2.72Å; C460-C475 PolarHBondContact N-O 3.28Å; C460-C475 VanDerWaalsContact N-O 3.17Å; C460-C475 CarbonylContact O-C 3.45Å; C460-C475 VanDerWaalsContact O-C 3.27Å; C460-C475 WeakPolarHBondContact O-CA 3.49Å; C460-C475 WeakPolarHBondContact O-CB 3.42Å; C460-C475 PolarHBondContact O-SG 3.28Å; S472-C475 PolarHBondContact O-N 3.26Å; S472-C475 PolarHBondContact OG-N 2.8Å |
| 476 | Y | 85.4 | Confident | 81.4 | Confident | 123 Ų | 123 | 61 Ų | 61 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -105.5 | 153.8 | 166.6 | -62.5 | -80.2 | 0 | 0 | 0 | 111.4 | E459 C460 S472 E474 R478 | E459-Y476 HydrophobicContact CG-CD1 4.1Å; C460-Y476 PolarHBondContact SG-O 2.95Å; S472-Y476 WeakPolarHBondContact CB-O 3.02Å; S472-Y476 PolarHBondContact N-O 3.09Å; S472-Y476 PolarHBondContact OG-N 3.31Å; S472-Y476 PolarHBondContact OG-O 2.83Å; E474-Y476 VanDerWaalsContact C-N 3.34Å; E474-Y476 HydrophobicContact CB-CD2 3.9Å; E474-Y476 HydrophobicContact CB-CE2 4.19Å; E474-Y476 WeakPolarHBondContact O-CD2 3.19Å; E474-Y476 VanDerWaalsContact O-CE2 3.3Å; E474-Y476 WeakPolarHBondContact O-CE2 3.43Å; E474-Y476 PolarHBondContact O-N 3.32Å; Y476-R478 PolarHBondContact O-N 3.42Å |
| 477 | F | 88.7 | Confident | 82 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 136.6 | 171.9 | -69.5 | -49 | 0 | 0 | 0 | 110.6 | E459 C460 C470 A481 C483 H488 | E459-F477 HydrophobicContact CB-CD2 3.59Å; E459-F477 HydrophobicContact CB-CE2 3.65Å; E459-F477 HydrophobicContact CB-CG 4.04Å; E459-F477 HydrophobicContact CB-CZ 4.13Å; E459-F477 HydrophobicContact CG-CD2 4.21Å; E459-F477 HydrophobicContact CG-CE2 4.45Å; E459-F477 WeakPolarHBondContact O-CZ 3.25Å; E459-F477 PolarHBondContact OE2-N 3.12Å; C460-F477 HydrophobicContact CB-CD1 3.88Å; C460-F477 HydrophobicContact CB-CE1 3.63Å; C460-F477 HydrophobicContact CB-CZ 4.48Å; C470-F477 WeakPolarHBondContact O-CA 3.3Å; F477-A481 HydrophobicContact CB-CB 4.14Å; F477-A481 HydrophobicContact CD1-CB 4.3Å; F477-A481 HydrophobicContact CG-CB 4.48Å; F477-C483 VanDerWaalsContact CE1-C 3.44Å; F477-C483 VanDerWaalsContact CE1-CA 3.47Å; F477-H488 AromaticContact CE1-CE1 3.79Å; F477-H488 AromaticContact CZ-CE1 3.49Å; F477-H488 VanDerWaalsContact CZ-CE1 3.49Å; F477-H488 WeakPolarHBondContact CZ-CE1 3.49Å; F477-H488 AromaticContact CZ-NE2 4Å |
| 478 | R | 89.4 | Confident | 82.3 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 157.6 | 168.4 | -67.7 | -175.6 | -177.9 | -97 | 1.8 | 109.8 | P466 D468 P469 C470 C471 Y476 G480 A481 | P466-R478 PolarHBondContact O-NH2 3.47Å; D468-R478 WeakPolarHBondContact O-CD 3.45Å; D468-R478 PolarHBondContact O-NE 2.78Å; P469-R478 WeakPolarHBondContact O-CD 3.27Å; C470-R478 PolarHBondContact O-N 2.92Å; C471-R478 PolarHBondContact O-NE 2.87Å; C471-R478 PolarHBondContact O-NH2 3.25Å; Y476-R478 PolarHBondContact O-N 3.42Å; R478-G480 PolarHBondContact O-N 3.35Å; R478-G480 VanDerWaalsContact O-N 3.14Å; R478-A481 VanDerWaalsContact O-CB 3.31Å; R478-A481 WeakPolarHBondContact O-CB 3.33Å; R478-A481 PolarHBondContact O-N 3.06Å |
| 479 | T | 91.2 | Very high | 81.8 | Confident | 157 Ų | 157 | 53.3 Ų | 53.3 | 96% | 0.963 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 121.3 | 177.3 | -45.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 480 | G | 91 | Very high | 81.7 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R478 Q496 | R478-G480 PolarHBondContact O-N 3.35Å; R478-G480 VanDerWaalsContact O-N 3.14Å; G480-Q496 PolarHBondContact O-NE2 2.94Å |
| 481 | A | 91.6 | Very high | 81.6 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | trans | -81.1 | 131 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C470 F477 R478 C495 | C470-A481 HydrophobicContact CB-CB 4.25Å; F477-A481 HydrophobicContact CB-CB 4.14Å; F477-A481 HydrophobicContact CD1-CB 4.3Å; F477-A481 HydrophobicContact CG-CB 4.48Å; R478-A481 VanDerWaalsContact O-CB 3.31Å; R478-A481 WeakPolarHBondContact O-CB 3.33Å; R478-A481 PolarHBondContact O-N 3.06Å; A481-C495 HydrophobicContact CB-CB 3.53Å | ||
| 482 | H | 88.9 | Confident | 81.8 | Confident | 123 Ų | 123 | 52 Ų | 52 | 57% | 0.569 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -105.5 | -12.5 | 172.4 | -70.4 | -67 | 0 | 0 | 0 | 112.5 | C495 Q496 | H482-C495 PolarHBondContact N-O 2.8Å; H482-Q496 PolarHBondContact CD2-OE1 2.79Å |
| 483 | C | 86.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -159 | 167.7 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | C470 F477 H488 C491 C495 Q496 | C470-C483 WeakPolarHBondContact CB-O 3.29Å; F477-C483 VanDerWaalsContact CE1-C 3.44Å; F477-C483 VanDerWaalsContact CE1-CA 3.47Å; C483-H488 HydrophobicContact CB-CB 4.04Å; C483-C491 HydrophobicContact CB-CB 3.72Å; C483-C491 WeakPolarHBondContact CB-SG 3.37Å; C483-C491 PolarHBondContact O-SG 2.98Å; C483-C491 WeakPolarHBondContact SG-CA 3.29Å; C483-C491 WeakPolarHBondContact SG-CB 3.37Å; C483-C491 CovalentContact SG-SG 2.03Å; C483-C491 PolarHBondContact SG-SG 2.9Å; C483-C495 PolarHBondContact N-O 2.9Å; C483-C495 WeakPolarHBondContact O-CA 3.38Å; C483-C495 WeakPolarHBondContact O-CB 3.37Å; C483-Q496 PolarHBondContact SG-O 2.91Å | ||
| 484 | S | 82.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -120.8 | 125.4 | 171.9 | 166.5 | 0 | 0 | 0 | 0 | 109 | W486 N487 H488 | S484-W486 PolarHBondContact O-N 3.21Å; S484-W486 PolarHBondContact OG-N 2.93Å; S484-N487 PolarHBondContact O-N 3Å; S484-N487 PolarHBondContact OG-OD1 2.92Å; S484-H488 PolarHBondContact N-ND1 2.78Å; S484-H488 WeakPolarHBondContact O-CB 3.44Å; S484-H488 PolarHBondContact O-N 3.19Å; S484-H488 PolarHBondContact O-ND1 2.9Å; S484-H488 VanDerWaalsContact O-ND1 3.09Å | ||
| 485 | P | 77.7 | Confident | 83.7 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -18.9 | 175.2 | -27.6 | 36.8 | 0 | 0 | 0 | 114.5 | C470 C491 T492 | C470-P485 WeakPolarHBondContact SG-CD 3.43Å; P485-C491 HydrophobicContact CG-CB 4.35Å; P485-T492 WeakPolarHBondContact CG-O 3.31Å |
| 486 | W | 65.6 | Low | 84.6 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19.9 | 179.1 | -64.7 | 100.2 | 0 | 0 | 0 | 114.1 | S43 A462 D468 S484 | S43-W486 CarbonylContact O-C 3.53Å; A462-W486 HydrophobicContact CB-CB 4.38Å; A462-W486 HydrophobicContact CB-CG 4.07Å; D468-W486 PolarHBondContact OD2-NE1 3.08Å; S484-W486 PolarHBondContact O-N 3.21Å; S484-W486 PolarHBondContact OG-N 2.93Å |
| 487 | N | 71.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -19.2 | -175.4 | -47.4 | 105.5 | 0 | 0 | 0 | 112.8 | I454 D461 S484 | I454-N487 HydrophobicContact CD1-CB 3.44Å; I454-N487 VanDerWaalsContact CD1-CB 3.44Å; I454-N487 HydrophobicContact CG1-CB 3.79Å; D461-N487 VanDerWaalsContact N-CG 3.35Å; D461-N487 PolarHBondContact N-ND2 3.07Å; D461-N487 PolarHBondContact N-OD1 3.1Å; D461-N487 PolarHBondContact O-ND2 3.05Å; D461-N487 PolarHBondContact O-OD1 3.06Å; S484-N487 PolarHBondContact O-N 3Å; S484-N487 PolarHBondContact OG-OD1 2.92Å |
| 488 | H | 78 | Confident | 84.8 | Confident | 27 Ų | 27 | 51 Ų | 51 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | trans | -123.6 | 115.5 | -171.3 | -56.1 | 91.3 | 0 | 0 | 0 | 111.1 | E459 F477 C483 S484 C490 C491 S524 | E459-H488 PolarHBondContact O-CE1 2.68Å; F477-H488 AromaticContact CE1-CE1 3.79Å; F477-H488 AromaticContact CZ-CE1 3.49Å; F477-H488 VanDerWaalsContact CZ-CE1 3.49Å; F477-H488 WeakPolarHBondContact CZ-CE1 3.49Å; F477-H488 AromaticContact CZ-NE2 4Å; C483-H488 HydrophobicContact CB-CB 4.04Å; S484-H488 PolarHBondContact N-ND1 2.78Å; S484-H488 WeakPolarHBondContact O-CB 3.44Å; S484-H488 PolarHBondContact O-N 3.19Å; S484-H488 PolarHBondContact O-ND1 2.9Å; S484-H488 VanDerWaalsContact O-ND1 3.09Å; H488-C490 VanDerWaalsContact C-N 3.25Å; H488-C490 PolarHBondContact O-N 3.24Å; H488-C491 HydrophobicContact CB-CB 4.04Å; H488-C491 WeakPolarHBondContact O-CB 3.48Å; H488-C491 PolarHBondContact O-N 2.89Å; H488-S524 PolarHBondContact CD2-OG 3.41Å; H488-S524 VanDerWaalsContact CD2-OG 3.27Å | ||
| 489 | G | 69.9 | Low | 84.9 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I42 | I42-G489 WeakPolarHBondContact O-CA 3.19Š|
| 490 | C | 83.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 53 | 174.3 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | H488 A498 C519 S523 S524 | H488-C490 VanDerWaalsContact C-N 3.25Å; H488-C490 PolarHBondContact O-N 3.24Å; C490-A498 VanDerWaalsContact C-CB 3.42Å; C490-A498 HydrophobicContact CB-CB 4.14Å; C490-A498 PolarHBondContact O-N 3.44Å; C490-C519 WeakPolarHBondContact CA-SG 3.43Å; C490-C519 HydrophobicContact CB-CB 3.77Å; C490-C519 WeakPolarHBondContact CB-SG 3.42Å; C490-C519 WeakPolarHBondContact SG-CA 3.42Å; C490-C519 WeakPolarHBondContact SG-CB 3.22Å; C490-C519 CovalentContact SG-SG 2.03Å; C490-C519 PolarHBondContact SG-SG 3.14Å; C490-S523 WeakPolarHBondContact CB-O 3.28Å; C490-S524 PolarHBondContact N-O 3.07Å |
| 491 | C | 86.6 | Confident | 84.8 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 136.7 | 178.4 | -161.7 | 0 | 0 | 0 | 0 | 111.4 | C483 P485 H488 Q496 | C483-C491 HydrophobicContact CB-CB 3.72Å; C483-C491 WeakPolarHBondContact CB-SG 3.37Å; C483-C491 PolarHBondContact O-SG 2.98Å; C483-C491 WeakPolarHBondContact SG-CA 3.29Å; C483-C491 WeakPolarHBondContact SG-CB 3.37Å; C483-C491 CovalentContact SG-SG 2.03Å; C483-C491 PolarHBondContact SG-SG 2.9Å; P485-C491 HydrophobicContact CG-CB 4.35Å; H488-C491 HydrophobicContact CB-CB 4.04Å; H488-C491 WeakPolarHBondContact O-CB 3.48Å; H488-C491 PolarHBondContact O-N 2.89Å; C491-Q496 CarbonylContact C-O 3.57Å; C491-Q496 WeakPolarHBondContact CA-O 3.45Å |
| 492 | T | 88.9 | Confident | 84.5 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | trans | -80.1 | 159.9 | 171.9 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | P485 D494 C495 Q496 | P485-T492 WeakPolarHBondContact CG-O 3.31Å; T492-D494 PolarHBondContact O-N 3.46Å; T492-D494 PolarHBondContact OG1-N 3.01Å; T492-C495 PolarHBondContact O-N 3.28Å; T492-Q496 PolarHBondContact N-O 3.01Å; T492-Q496 WeakPolarHBondContact OG1-CB 3.49Å; T492-Q496 PolarHBondContact OG1-N 3.05Å; T492-Q496 PolarHBondContact OG1-O 2.91Å | ||
| 493 | S | 84.3 | Confident | 84.1 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.3 | 175 | 49 | 0 | 0 | 0 | 0 | 114 | C495 | S493-C495 VanDerWaalsContact C-N 3.29Š|
| 494 | D | 89.7 | Confident | 83.5 | Confident | 122 Ų | 122 | 54.1 Ų | 54.1 | 65% | 0.652 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 17.5 | 178.3 | -51.6 | -36.5 | 0 | 0 | 0 | 112.8 | T492 Q496 | T492-D494 PolarHBondContact O-N 3.46Å; T492-D494 PolarHBondContact OG1-N 3.01Å; D494-Q496 VanDerWaalsContact C-N 3.29Å; D494-Q496 PolarHBondContact O-N 3Å; D494-Q496 PolarHBondContact O-NE2 3.03Å |
| 495 | C | 92 | Very high | 82.7 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 66.6 | 25.2 | 176.4 | -38.2 | 0 | 0 | 0 | 0 | 114.5 | P469 C470 A481 H482 C483 T492 S493 | P469-C495 VanDerWaalsContact C-SG 3.6Å; C470-C495 WeakPolarHBondContact CA-SG 3.39Å; C470-C495 HydrophobicContact CB-CB 3.66Å; C470-C495 WeakPolarHBondContact CB-SG 3.34Å; C470-C495 PolarHBondContact N-SG 3.13Å; C470-C495 VanDerWaalsContact N-SG 3.42Å; C470-C495 VanDerWaalsContact SG-CA 3.52Å; C470-C495 WeakPolarHBondContact SG-CB 3.43Å; C470-C495 CovalentContact SG-SG 2.02Å; C470-C495 PolarHBondContact SG-SG 2.93Å; A481-C495 HydrophobicContact CB-CB 3.53Å; H482-C495 PolarHBondContact N-O 2.8Å; C483-C495 PolarHBondContact N-O 2.9Å; C483-C495 WeakPolarHBondContact O-CA 3.38Å; C483-C495 WeakPolarHBondContact O-CB 3.37Å; T492-C495 PolarHBondContact O-N 3.28Å; S493-C495 VanDerWaalsContact C-N 3.29Å |
| 496 | Q | 93.8 | Very high | 82 | Confident | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -110.2 | 158.5 | 179.6 | -56.4 | -55.8 | -49 | 0 | 0 | 111.5 | G480 H482 C483 C491 T492 D494 A498 | G480-Q496 PolarHBondContact O-NE2 2.94Å; H482-Q496 PolarHBondContact CD2-OE1 2.79Å; C483-Q496 PolarHBondContact SG-O 2.91Å; C491-Q496 CarbonylContact C-O 3.57Å; C491-Q496 WeakPolarHBondContact CA-O 3.45Å; T492-Q496 PolarHBondContact N-O 3.01Å; T492-Q496 WeakPolarHBondContact OG1-CB 3.49Å; T492-Q496 PolarHBondContact OG1-N 3.05Å; T492-Q496 PolarHBondContact OG1-O 2.91Å; D494-Q496 VanDerWaalsContact C-N 3.29Å; D494-Q496 PolarHBondContact O-N 3Å; D494-Q496 PolarHBondContact O-NE2 3.03Å; Q496-A498 PolarHBondContact O-N 2.73Å |
| 497 | L | 90.1 | Very high | 81.6 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 132 | 176.1 | -66.5 | -179.1 | 0 | 0 | 0 | 111.2 | S524 | L497-S524 VanDerWaalsContact CD2-N 3.3Å |
| 498 | A | 87.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C490 Q496 T502 C519 G521 | C490-A498 VanDerWaalsContact C-CB 3.42Å; C490-A498 HydrophobicContact CB-CB 4.14Å; C490-A498 PolarHBondContact O-N 3.44Å; Q496-A498 PolarHBondContact O-N 2.73Å; A498-T502 HydrophobicContact CB-CG2 4.16Å; A498-C519 HydrophobicContact CB-CB 4.45Å; A498-G521 WeakPolarHBondContact O-CA 3.22Å |
| 499 | P | 92.2 | Very high | 79.7 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 157 | -178.7 | 23.7 | -30.3 | 0 | 0 | 0 | 111.8 | T502 | P499-T502 WeakPolarHBondContact CD-OG1 3.45Å; P499-T502 WeakPolarHBondContact CG-OG1 3.16Å; P499-T502 VanDerWaalsContact O-CB 3.31Å; P499-T502 WeakPolarHBondContact O-CB 3.42Å; P499-T502 PolarHBondContact O-N 3.33Å; P499-T502 VanDerWaalsContact O-N 3.15Å; P499-T502 PolarHBondContact O-OG1 3.44Å |
| 500 | K | 92.2 | Very high | 79 | Confident | 149 Ų | 149 | 66.6 Ų | 66.6 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 141.4 | 176.4 | -174.9 | 177.1 | 177.9 | -179 | 0 | 111 | T502 C519 | K500-T502 VanDerWaalsContact C-N 3.26Å; K500-T502 PolarHBondContact O-N 2.99Å; K500-C519 CarbonylContact C-O 3.42Å; K500-C519 WeakPolarHBondContact CA-O 3.2Å |
| 501 | N | 87.6 | Confident | 78.3 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 5.1 | -176.5 | -50.8 | -29.2 | 0 | 0 | 0 | 115.6 | I503 C519 | N501-I503 PolarHBondContact O-N 3Å; N501-C519 PolarHBondContact N-O 3.11Å |
| 502 | T | 86.1 | Confident | 77.8 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | trans | -60.7 | 126.7 | 168.9 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | A498 P499 K500 C504 Q518 C519 | A498-T502 HydrophobicContact CB-CG2 4.16Å; P499-T502 WeakPolarHBondContact CD-OG1 3.45Å; P499-T502 WeakPolarHBondContact CG-OG1 3.16Å; P499-T502 VanDerWaalsContact O-CB 3.31Å; P499-T502 WeakPolarHBondContact O-CB 3.42Å; P499-T502 PolarHBondContact O-N 3.33Å; P499-T502 VanDerWaalsContact O-N 3.15Å; P499-T502 PolarHBondContact O-OG1 3.44Å; K500-T502 VanDerWaalsContact C-N 3.26Å; K500-T502 PolarHBondContact O-N 2.99Å; T502-C504 PolarHBondContact O-N 3.38Å; T502-Q518 CarbonylContact O-C 3.48Å; T502-Q518 WeakPolarHBondContact O-CA 3.26Å; T502-C519 PolarHBondContact O-N 3.23Å; T502-C519 PolarHBondContact O-SG 2.96Å | ||
| 503 | I | 80.1 | Confident | 77.3 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 55% | 0.554 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 114.3 | -179.7 | -60.1 | 173.6 | 0 | 0 | 0 | 108.3 | N501 P516 G517 | N501-I503 PolarHBondContact O-N 3Å; I503-P516 HydrophobicContact CG2-CB 4.2Å; I503-G517 WeakPolarHBondContact CA-O 3.34Å |
| 504 | C | 74.2 | Confident | 77.1 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -31.3 | 177.3 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | I42 T502 G517 C526 | I42-C504 WeakPolarHBondContact CB-O 3.37Å; I42-C504 WeakPolarHBondContact CG2-O 3.29Å; T502-C504 PolarHBondContact O-N 3.38Å; C504-G517 PolarHBondContact N-O 2.86Å; C504-C526 HydrophobicContact CB-CB 3.63Å; C504-C526 WeakPolarHBondContact CB-SG 3.14Å; C504-C526 VanDerWaalsContact SG-CA 3.59Å; C504-C526 WeakPolarHBondContact SG-CB 3.26Å; C504-C526 CovalentContact SG-SG 2.03Å; C504-C526 PolarHBondContact SG-SG 3.09Å |
| 505 | A | 65.6 | Low | 76.6 | Confident | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I42 P516 G517 | I42-A505 HydrophobicContact CD1-CB 3.96Å; I42-A505 HydrophobicContact CG2-CB 4.07Å; A505-P516 CarbonylContact O-C 3.57Å; A505-P516 VanDerWaalsContact O-CA 3.22Å; A505-P516 WeakPolarHBondContact O-CA 3.45Å; A505-G517 PolarHBondContact N-O 3.01Å; A505-G517 VanDerWaalsContact N-O 3.13Å; A505-G517 PolarHBondContact O-N 2.71Å |
| 506 | Q | 62 | Low | 75.9 | Confident | 164 Ų | 164 | 60.7 Ų | 60.7 | 77% | 0.766 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -73 | 149.8 | 176.9 | -66.2 | -170.9 | 37.3 | 0 | 0 | 111.1 | S508 | Q506-S508 PolarHBondContact O-N 2.89Š|
| 507 | T | 58.2 | Low | 75.2 | Confident | 84 Ų | 84 | 57 Ų | 57 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 127.2 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | S509 P516 | T507-S509 PolarHBondContact O-N 3.43Å; T507-P516 HydrophobicContact CG2-CB 4.08Å; T507-P516 VanDerWaalsContact CG2-CD 3.44Å; T507-P516 HydrophobicContact CG2-CG 4.21Å |
| 508 | S | 52.9 | Low | 74.9 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 123.2 | 166.8 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | Q506 T510 N511 | Q506-S508 PolarHBondContact O-N 2.89Å; S508-T510 PolarHBondContact O-N 2.87Å; S508-T510 VanDerWaalsContact O-N 3.08Å; S508-T510 PolarHBondContact OG-N 3.43Å; S508-T510 PolarHBondContact OG-OG1 2.83Å; S508-N511 PolarHBondContact O-N 2.79Å |
| 509 | S | 55 | Low | 74.8 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 89% | 0.888 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.6 | 170.1 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | T507 | T507-S509 PolarHBondContact O-N 3.43Š|
| 510 | T | 56.5 | Low | 74.5 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -18.6 | -177.7 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | S508 | S508-T510 PolarHBondContact O-N 2.87Å; S508-T510 VanDerWaalsContact O-N 3.08Å; S508-T510 PolarHBondContact OG-N 3.43Å; S508-T510 PolarHBondContact OG-OG1 2.83Å |
| 511 | N | 68.6 | Low | 74.4 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | trans | -123.5 | 97.3 | 179.3 | -172.4 | -14.2 | 0 | 0 | 0 | 110.2 | S508 C513 L514 | S508-N511 PolarHBondContact O-N 2.79Å; N511-C513 PolarHBondContact O-N 3.36Å; N511-C513 WeakPolarHBondContact OD1-CA 3.22Å; N511-C513 VanDerWaalsContact OD1-CB 3.23Å; N511-C513 WeakPolarHBondContact OD1-CB 3.35Å; N511-C513 PolarHBondContact OD1-N 2.8Å; N511-L514 HydrophobicContact CB-CD1 4.24Å; N511-L514 HydrophobicContact CB-CG 4.4Å; N511-L514 WeakPolarHBondContact ND2-CD1 3.48Å; N511-L514 PolarHBondContact O-N 2.85Å; N511-L514 VanDerWaalsContact O-N 3.16Å | ||
| 512 | P | 75.2 | Confident | 74.4 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -8.4 | -179.1 | 28 | -34.4 | 0 | 0 | 0 | 113.4 | C537 | P512-C537 HydrophobicContact CG-CB 3.7Š|
| 513 | C | 79.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 114 | N511 L532 C543 G546 | N511-C513 PolarHBondContact O-N 3.36Å; N511-C513 WeakPolarHBondContact OD1-CA 3.22Å; N511-C513 VanDerWaalsContact OD1-CB 3.23Å; N511-C513 WeakPolarHBondContact OD1-CB 3.35Å; N511-C513 PolarHBondContact OD1-N 2.8Å; C513-L532 WeakPolarHBondContact O-CA 3.17Å; C513-L532 VanDerWaalsContact O-CB 3.22Å; C513-L532 WeakPolarHBondContact O-CB 3.42Å; C513-L532 PolarHBondContact O-N 3.46Å; C513-C543 WeakPolarHBondContact CA-SG 3.4Å; C513-C543 HydrophobicContact CB-CB 3.53Å; C513-C543 WeakPolarHBondContact CB-SG 3.32Å; C513-C543 WeakPolarHBondContact SG-CA 3.23Å; C513-C543 WeakPolarHBondContact SG-CB 3.4Å; C513-C543 CovalentContact SG-SG 2.03Å; C513-C543 PolarHBondContact SG-SG 3.14Å; C513-G546 WeakPolarHBondContact CB-O 3.42Å; C513-G546 WeakPolarHBondContact O-CA 3.33Å |
| 514 | L | 81.1 | Confident | 74.4 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.9 | -179.2 | -65.2 | -179.8 | 0 | 0 | 0 | 110.9 | N511 P529 L531 | N511-L514 HydrophobicContact CB-CD1 4.24Å; N511-L514 HydrophobicContact CB-CG 4.4Å; N511-L514 WeakPolarHBondContact ND2-CD1 3.48Å; N511-L514 PolarHBondContact O-N 2.85Å; N511-L514 VanDerWaalsContact O-N 3.16Å; L514-P529 HydrophobicContact CB-CB 4.08Å; L514-P529 HydrophobicContact CD1-CG 4.13Å; L514-P529 HydrophobicContact CD2-CB 4.4Å; L514-P529 HydrophobicContact CD2-CG 4.28Å; L514-L531 HydrophobicContact CD2-CD2 3.68Å |
| 515 | G | 78 | Confident | 74.5 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 172.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P529 T530 | G515-P529 CarbonylContact O-C 3.59Å; G515-P529 VanDerWaalsContact O-CA 3.32Å; G515-P529 WeakPolarHBondContact O-CA 3.46Å; G515-P529 VanDerWaalsContact O-CB 3.24Å; G515-P529 WeakPolarHBondContact O-CB 3.3Å; G515-T530 PolarHBondContact N-O 2.74Å; G515-T530 PolarHBondContact O-N 3.26Å |
| 516 | P | 77.5 | Confident | 75 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 142.8 | 177.7 | 28 | -32.1 | 0 | 0 | 0 | 110.4 | I503 A505 T507 T530 | I503-P516 HydrophobicContact CG2-CB 4.2Å; A505-P516 CarbonylContact O-C 3.57Å; A505-P516 VanDerWaalsContact O-CA 3.22Å; A505-P516 WeakPolarHBondContact O-CA 3.45Å; T507-P516 HydrophobicContact CG2-CB 4.08Å; T507-P516 VanDerWaalsContact CG2-CD 3.44Å; T507-P516 HydrophobicContact CG2-CG 4.21Å; P516-T530 PolarHBondContact O-OG1 3.33Å |
| 517 | G | 78.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 136.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I503 C504 A505 G528 | I503-G517 WeakPolarHBondContact CA-O 3.34Å; C504-G517 PolarHBondContact N-O 2.86Å; A505-G517 PolarHBondContact N-O 3.01Å; A505-G517 VanDerWaalsContact N-O 3.13Å; A505-G517 PolarHBondContact O-N 2.71Å; G517-G528 WeakPolarHBondContact CA-O 3.42Å |
| 518 | Q | 84.7 | Confident | 76 | Confident | 82 Ų | 82 | 48.8 Ų | 48.8 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.1 | -176.5 | -71.3 | -179 | -1.2 | 0 | 0 | 111.2 | T502 P527 | T502-Q518 CarbonylContact O-C 3.48Å; T502-Q518 WeakPolarHBondContact O-CA 3.26Å; Q518-P527 WeakPolarHBondContact O-CD 3.29Å; Q518-P527 WeakPolarHBondContact O-CG 3.09Å |
| 519 | C | 85.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | trans | -64.2 | 141 | 173.8 | -60.5 | 0 | 0 | 0 | 0 | 111 | C490 A498 K500 N501 T502 | C490-C519 WeakPolarHBondContact CA-SG 3.43Å; C490-C519 HydrophobicContact CB-CB 3.77Å; C490-C519 WeakPolarHBondContact CB-SG 3.42Å; C490-C519 WeakPolarHBondContact SG-CA 3.42Å; C490-C519 WeakPolarHBondContact SG-CB 3.22Å; C490-C519 CovalentContact SG-SG 2.03Å; C490-C519 PolarHBondContact SG-SG 3.14Å; A498-C519 HydrophobicContact CB-CB 4.45Å; K500-C519 CarbonylContact C-O 3.42Å; K500-C519 WeakPolarHBondContact CA-O 3.2Å; N501-C519 PolarHBondContact N-O 3.11Å; T502-C519 PolarHBondContact O-N 3.23Å; T502-C519 PolarHBondContact O-SG 2.96Å | ||
| 520 | N | 86.7 | Confident | 78.2 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | trans | -84.9 | -13.3 | 176.5 | 64.7 | 4.6 | 0 | 0 | 0 | 113.2 | L522 S523 | N520-L522 VanDerWaalsContact C-N 3.29Å; N520-L522 PolarHBondContact OD1-N 2.74Å; N520-S523 PolarHBondContact OD1-N 2.95Å | ||
| 521 | G | 89 | Confident | 79.4 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 79.5 | 3.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A498 | A498-G521 WeakPolarHBondContact O-CA 3.22Š|
| 522 | L | 89 | Confident | 80.1 | Confident | 148 Ų | 148 | 51.8 Ų | 51.8 | 78% | 0.775 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -119.7 | -12.5 | -176.8 | -60.6 | 174.2 | 0 | 0 | 0 | 112.6 | N520 | N520-L522 VanDerWaalsContact C-N 3.29Å; N520-L522 PolarHBondContact OD1-N 2.74Å |
| 523 | S | 84.5 | Confident | 80.3 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | trans | -139.3 | 149.5 | -179 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | C490 N520 I525 | C490-S523 WeakPolarHBondContact CB-O 3.28Å; N520-S523 PolarHBondContact OD1-N 2.95Å; S523-I525 WeakPolarHBondContact OG-CB 3.48Å; S523-I525 PolarHBondContact OG-N 3Å; S523-I525 VanDerWaalsContact OG-N 3.16Å | ||
| 524 | S | 80.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -76.8 | -12.5 | 172.3 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | H488 C490 L497 | H488-S524 PolarHBondContact CD2-OG 3.41Å; H488-S524 VanDerWaalsContact CD2-OG 3.27Å; C490-S524 PolarHBondContact N-O 3.07Å; L497-S524 VanDerWaalsContact CD2-N 3.3Å |
| 525 | I | 77 | Confident | 79.5 | Confident | 121 Ų | 121 | 52.7 Ų | 52.7 | 62% | 0.621 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -83.2 | 122.6 | -179.8 | -56.2 | 173.9 | 0 | 0 | 0 | 109.8 | S523 | S523-I525 WeakPolarHBondContact OG-CB 3.48Å; S523-I525 PolarHBondContact OG-N 3Å; S523-I525 VanDerWaalsContact OG-N 3.16Å |
| 526 | C | 74.9 | Confident | 79.5 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | trans | -73.5 | 127 | 169.5 | -178 | 0 | 0 | 0 | 0 | 109.4 | C504 G528 | C504-C526 HydrophobicContact CB-CB 3.63Å; C504-C526 WeakPolarHBondContact CB-SG 3.14Å; C504-C526 VanDerWaalsContact SG-CA 3.59Å; C504-C526 WeakPolarHBondContact SG-CB 3.26Å; C504-C526 CovalentContact SG-SG 2.03Å; C504-C526 PolarHBondContact SG-SG 3.09Å; C526-G528 PolarHBondContact O-N 2.9Å | ||
| 527 | P | 71.9 | Confident | 79.6 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | trans | -68.5 | 4.9 | -178.8 | 28.3 | -35.3 | 0 | 0 | 0 | 114.3 | Q518 | Q518-P527 WeakPolarHBondContact O-CD 3.29Å; Q518-P527 WeakPolarHBondContact O-CG 3.09Å | ||
| 528 | G | 70.2 | Confident | 79.5 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | trans | 77.6 | -177.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G517 C526 | G517-G528 WeakPolarHBondContact CA-O 3.42Å; C526-G528 PolarHBondContact O-N 2.9Å | ||
| 529 | P | 74.9 | Confident | 79 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -63.6 | 144.6 | 178.2 | 25.6 | -32.3 | 0 | 0 | 0 | 111.7 | L514 G515 L531 | L514-P529 HydrophobicContact CB-CB 4.08Å; L514-P529 HydrophobicContact CD1-CG 4.13Å; L514-P529 HydrophobicContact CD2-CB 4.4Å; L514-P529 HydrophobicContact CD2-CG 4.28Å; G515-P529 CarbonylContact O-C 3.59Å; G515-P529 VanDerWaalsContact O-CA 3.32Å; G515-P529 WeakPolarHBondContact O-CA 3.46Å; G515-P529 VanDerWaalsContact O-CB 3.24Å; G515-P529 WeakPolarHBondContact O-CB 3.3Å; P529-L531 PolarHBondContact O-N 3.2Å |
| 530 | T | 79.9 | Confident | 78.6 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.4 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | G515 P516 L532 | G515-T530 PolarHBondContact N-O 2.74Å; G515-T530 PolarHBondContact O-N 3.26Å; P516-T530 PolarHBondContact O-OG1 3.33Å; T530-L532 HydrophobicContact CG2-CD2 4.3Å; T530-L532 PolarHBondContact O-N 3.08Å |
| 531 | L | 81.4 | Confident | 78.3 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 103.7 | 178.8 | -56.9 | -178.3 | 0 | 0 | 0 | 110.4 | L514 P529 | L514-L531 HydrophobicContact CD2-CD2 3.68Å; P529-L531 PolarHBondContact O-N 3.2Å |
| 532 | L | 81.9 | Confident | 77.7 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | trans | -81.7 | 151.8 | -178.4 | -54.2 | 173.9 | 0 | 0 | 0 | 111.5 | C513 T530 Q545 G546 | C513-L532 WeakPolarHBondContact O-CA 3.17Å; C513-L532 VanDerWaalsContact O-CB 3.22Å; C513-L532 WeakPolarHBondContact O-CB 3.42Å; C513-L532 PolarHBondContact O-N 3.46Å; T530-L532 HydrophobicContact CG2-CD2 4.3Å; T530-L532 PolarHBondContact O-N 3.08Å; L532-Q545 PolarHBondContact O-N 2.9Å; L532-G546 PolarHBondContact O-N 3.01Å | ||
| 533 | S | 80.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 49 Ų | 49 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | trans | -132.2 | 150.5 | 172 | -57.6 | 0 | 0 | 0 | 0 | 110 | G535 C543 Q545 | S533-G535 PolarHBondContact O-N 3.01Å; S533-C543 CarbonylContact C-O 3.59Å; S533-C543 VanDerWaalsContact CA-O 3.28Å; S533-C543 WeakPolarHBondContact CA-O 3.21Å; S533-Q545 PolarHBondContact OG-N 3.19Å | ||
| 534 | G | 69.2 | Low | 76.8 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 90.9 | -27.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C543 | G534-C543 PolarHBondContact N-O 3Š|
| 535 | G | 75.2 | Confident | 76.8 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | trans | -62.3 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S533 R542 C543 | S533-G535 PolarHBondContact O-N 3.01Å; G535-R542 CarbonylContact O-C 3.42Å; G535-R542 VanDerWaalsContact O-CA 3.31Å; G535-R542 WeakPolarHBondContact O-CA 3.36Å; G535-C543 PolarHBondContact O-N 3.14Å; G535-C543 PolarHBondContact O-SG 2.87Å; G535-C543 VanDerWaalsContact O-SG 3.4Å | ||
| 536 | Q | 76.8 | Confident | 76.7 | Confident | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 141.8 | 172.3 | -173.4 | 175.8 | -8.8 | 0 | 0 | 109.9 | G541 | Q536-G541 WeakPolarHBondContact CA-O 3.05Å |
| 537 | C | 80.9 | Confident | 77 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | trans | -133 | -169.2 | 175.1 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | P512 G541 R542 C548 | P512-C537 HydrophobicContact CG-CB 3.7Å; C537-G541 PolarHBondContact N-O 3.23Å; C537-R542 VanDerWaalsContact SG-C 3.51Å; C537-R542 PolarHBondContact SG-N 3.33Å; C537-R542 VanDerWaalsContact SG-N 3.41Å; C537-C548 HydrophobicContact CB-CB 3.64Å; C537-C548 WeakPolarHBondContact CB-SG 3.08Å; C537-C548 WeakPolarHBondContact SG-CA 2.99Å; C537-C548 WeakPolarHBondContact SG-CB 3.45Å; C537-C548 CovalentContact SG-SG 2.01Å; C537-C548 PolarHBondContact SG-SG 2.74Å | ||
| 538 | D | 74.7 | Confident | 77.4 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -54 | 151.2 | -174.7 | -64.4 | -24.6 | 0 | 0 | 0 | 112.7 | H540 G541 | D538-H540 VanDerWaalsContact C-N 3.32Å; D538-H540 PolarHBondContact O-N 2.82Å; D538-G541 PolarHBondContact O-N 2.69Å |
| 539 | E | 74.2 | Confident | 78 | Confident | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | 58.3 | 38.3 | 176.4 | -155.5 | 173.9 | -153.1 | 0 | 0 | 114.5 | G541 L683 R687 | E539-G541 PolarHBondContact O-N 3.3Å; E539-L683 HydrophobicContact CG-CD2 4.33Å; E539-L683 WeakPolarHBondContact OE1-CD2 3.39Å; E539-R687 VanDerWaalsContact CD-CZ 3.48Å; E539-R687 IonicContact OE1-CZ 3.26Å; E539-R687 IonicContact OE1-NE 3.67Å; E539-R687 PolarHBondContact OE1-NE 3.45Å; E539-R687 IonicContact OE1-NH2 2.75Å; E539-R687 PolarHBondContact OE1-NH2 3.13Å; E539-R687 IonicContact OE2-CZ 3.17Å; E539-R687 VanDerWaalsContact OE2-CZ 3.26Å; E539-R687 IonicContact OE2-NE 3.94Å; E539-R687 IonicContact OE2-NH1 3.15Å; E539-R687 IonicContact OE2-NH2 2.76Å; E539-R687 PolarHBondContact OE2-NH2 3.2Å |
| 540 | H | 76.7 | Confident | 78.3 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | 58.5 | 18.4 | -176.3 | -51.1 | -89.8 | 0 | 0 | 0 | 113.4 | D538 F551 I571 F602 | D538-H540 VanDerWaalsContact C-N 3.32Å; D538-H540 PolarHBondContact O-N 2.82Å; H540-F551 HydrophobicContact CB-CB 4.44Å; H540-F551 HydrophobicContact CB-CD2 4.26Å; H540-I571 HydrophobicContact CB-CD1 4.05Å; H540-F602 HydrophobicContact CB-CE1 4.28Å; H540-F602 HydrophobicContact CB-CZ 4.36Å; H540-F602 AromaticContact CE1-CZ 3.97Å; H540-F602 AromaticContact ND1-CE1 3.19Å; H540-F602 WeakPolarHBondContact ND1-CE1 3.42Å; H540-F602 AromaticContact ND1-CZ 3.19Å; H540-F602 WeakPolarHBondContact ND1-CZ 3.07Å |
| 541 | G | 80.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -73.4 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q536 C537 D538 E539 H549 | Q536-G541 WeakPolarHBondContact CA-O 3.05Å; C537-G541 PolarHBondContact N-O 3.23Å; D538-G541 PolarHBondContact O-N 2.69Å; E539-G541 PolarHBondContact O-N 3.3Å; G541-H549 CarbonylContact C-O 3.56Å; G541-H549 WeakPolarHBondContact CA-O 3.5Å | ||
| 542 | R | 78.1 | Confident | 78.1 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.4 | 172.3 | -80.9 | -166 | 170.2 | 106.1 | 2.5 | 112.2 | G535 C537 H549 Y601 Q604 V607 | G535-R542 CarbonylContact O-C 3.42Å; G535-R542 VanDerWaalsContact O-CA 3.31Å; G535-R542 WeakPolarHBondContact O-CA 3.36Å; C537-R542 VanDerWaalsContact SG-C 3.51Å; C537-R542 PolarHBondContact SG-N 3.33Å; C537-R542 VanDerWaalsContact SG-N 3.41Å; R542-H549 PolarHBondContact N-O 2.78Å; R542-H549 PolarHBondContact O-N 2.86Å; R542-Y601 PolarHBondContact NH1-OH 2.83Å; R542-Y601 PolarHBondContact NH2-O 3.08Å; R542-Y601 VanDerWaalsContact NH2-O 3.09Å; R542-Q604 PolarHBondContact NH2-O 2.93Å; R542-V607 VanDerWaalsContact CD-CG2 3.44Å |
| 543 | C | 79.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.1 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111 | C513 S533 G534 G535 K547 | C513-C543 WeakPolarHBondContact CA-SG 3.4Å; C513-C543 HydrophobicContact CB-CB 3.53Å; C513-C543 WeakPolarHBondContact CB-SG 3.32Å; C513-C543 WeakPolarHBondContact SG-CA 3.23Å; C513-C543 WeakPolarHBondContact SG-CB 3.4Å; C513-C543 CovalentContact SG-SG 2.03Å; C513-C543 PolarHBondContact SG-SG 3.14Å; S533-C543 CarbonylContact C-O 3.59Å; S533-C543 VanDerWaalsContact CA-O 3.28Å; S533-C543 WeakPolarHBondContact CA-O 3.21Å; G534-C543 PolarHBondContact N-O 3Å; G535-C543 PolarHBondContact O-N 3.14Å; G535-C543 PolarHBondContact O-SG 2.87Å; G535-C543 VanDerWaalsContact O-SG 3.4Å; C543-K547 CarbonylContact C-O 3.41Å; C543-K547 VanDerWaalsContact CA-O 3.29Å; C543-K547 WeakPolarHBondContact CA-O 3.32Å |
| 544 | F | 75 | Confident | 77.2 | Confident | 73 Ų | 73 | 43 Ų | 43 | 32% | 0.32 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.6 | 168.1 | -175.8 | -98.6 | 0 | 0 | 0 | 108.4 | G546 K547 H609 | F544-G546 PolarHBondContact O-N 3.37Å; F544-G546 VanDerWaalsContact O-N 3.17Å; F544-K547 PolarHBondContact N-O 2.83Å; F544-K547 PolarHBondContact O-N 3.24Å; F544-H609 AromaticContact CD2-NE2 3.88Å; F544-H609 AromaticContact CE2-NE2 3.89Å |
| 545 | Q | 79.7 | Confident | 77.2 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 59% | 0.589 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 44.9 | -177.5 | -62.2 | -175.2 | -29.6 | 0 | 0 | 113.2 | L532 S533 K547 | L532-Q545 PolarHBondContact O-N 2.9Å; S533-Q545 PolarHBondContact OG-N 3.19Å; Q545-K547 VanDerWaalsContact C-N 3.26Å; Q545-K547 PolarHBondContact O-N 3.41Å |
| 546 | G | 75.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C513 L532 F544 | C513-G546 WeakPolarHBondContact CB-O 3.42Å; C513-G546 WeakPolarHBondContact O-CA 3.33Å; L532-G546 PolarHBondContact O-N 3.01Å; F544-G546 PolarHBondContact O-N 3.37Å; F544-G546 VanDerWaalsContact O-N 3.17Å |
| 547 | K | 79.3 | Confident | 76.8 | Confident | 99 Ų | 99 | 40.6 Ų | 40.6 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.1 | 175.6 | -54.5 | -160.5 | 174.8 | 177.9 | 0 | 110.8 | N105 C543 F544 Q545 | N105-K547 WeakPolarHBondContact ND2-CG 3.34Å; C543-K547 CarbonylContact C-O 3.41Å; C543-K547 VanDerWaalsContact CA-O 3.29Å; C543-K547 WeakPolarHBondContact CA-O 3.32Å; F544-K547 PolarHBondContact N-O 2.83Å; F544-K547 PolarHBondContact O-N 3.24Å; Q545-K547 VanDerWaalsContact C-N 3.26Å; Q545-K547 PolarHBondContact O-N 3.41Å |
| 548 | C | 82 | Confident | 76.7 | Confident | 52 Ų | 52 | 47 Ų | 47 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.2 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | C537 | C537-C548 HydrophobicContact CB-CB 3.64Å; C537-C548 WeakPolarHBondContact CB-SG 3.08Å; C537-C548 WeakPolarHBondContact SG-CA 2.99Å; C537-C548 WeakPolarHBondContact SG-CB 3.45Å; C537-C548 CovalentContact SG-SG 2.01Å; C537-C548 PolarHBondContact SG-SG 2.74Å |
| 549 | H | 81.2 | Confident | 77 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 21% | 0.213 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.6 | 174.8 | -75.8 | -99.1 | 0 | 0 | 0 | 110.9 | G541 R542 F553 | G541-H549 CarbonylContact C-O 3.56Å; G541-H549 WeakPolarHBondContact CA-O 3.5Å; R542-H549 PolarHBondContact N-O 2.78Å; R542-H549 PolarHBondContact O-N 2.86Å; H549-F553 HydrophobicContact CB-CB 3.87Å; H549-F553 HydrophobicContact CB-CD1 3.45Å; H549-F553 VanDerWaalsContact CB-CD1 3.45Å; H549-F553 HydrophobicContact CB-CE1 4.09Å; H549-F553 HydrophobicContact CB-CG 3.7Å; H549-F553 AromaticContact CE1-CZ 3.9Å; H549-F553 AromaticContact CG-CD1 3.63Å; H549-F553 AromaticContact CG-CE1 3.78Å; H549-F553 AromaticContact CG-CG 3.92Å; H549-F553 AromaticContact ND1-CD1 3.75Å; H549-F553 AromaticContact ND1-CD2 3.63Å; H549-F553 AromaticContact ND1-CE1 3.76Å; H549-F553 AromaticContact ND1-CE2 3.65Å; H549-F553 AromaticContact ND1-CG 3.68Å; H549-F553 AromaticContact ND1-CZ 3.71Å |
| 550 | P | 82.9 | Confident | 77 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 159.2 | 178.8 | -24.2 | 33.5 | 0 | 0 | 0 | 113.6 | C552 F553 T559 | P550-C552 VanDerWaalsContact C-N 3.32Å; P550-C552 PolarHBondContact O-N 2.98Å; P550-C552 VanDerWaalsContact O-N 3.15Å; P550-F553 WeakPolarHBondContact O-CB 3.41Å; P550-F553 PolarHBondContact O-N 2.75Å; P550-T559 HydrophobicContact CB-CG2 4.4Å; P550-T559 HydrophobicContact CG-CG2 4.42Å |
| 551 | F | 80.4 | Confident | 77 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -46.4 | -47.9 | -177.6 | 174.6 | -88.2 | 0 | 0 | 0 | 114.3 | H540 F553 S554 L555 I571 V591 Y601 I681 | H540-F551 HydrophobicContact CB-CB 4.44Å; H540-F551 HydrophobicContact CB-CD2 4.26Å; F551-F553 PolarHBondContact O-N 3.41Å; F551-F553 VanDerWaalsContact O-N 3.15Å; F551-S554 WeakPolarHBondContact O-CB 3.41Å; F551-S554 PolarHBondContact O-N 2.94Å; F551-S554 PolarHBondContact O-OG 3.36Å; F551-L555 HydrophobicContact CD1-CD1 4.39Å; F551-L555 HydrophobicContact CE1-CD1 3.64Å; F551-L555 HydrophobicContact CE1-CG 4.26Å; F551-L555 HydrophobicContact CZ-CD1 4.3Å; F551-I571 HydrophobicContact CB-CD1 3.9Å; F551-I571 HydrophobicContact CB-CG2 3.99Å; F551-I571 HydrophobicContact CD1-CG2 3.61Å; F551-I571 HydrophobicContact CE1-CG2 4.43Å; F551-I571 HydrophobicContact CG-CD1 4.14Å; F551-I571 HydrophobicContact CG-CG2 4.04Å; F551-V591 HydrophobicContact CE1-CB 4.24Å; F551-V591 HydrophobicContact CE1-CG1 3.97Å; F551-V591 HydrophobicContact CE1-CG2 4.11Å; F551-V591 HydrophobicContact CZ-CG1 4.26Å; F551-Y601 HydrophobicContact CD2-CD1 4.43Å; F551-Y601 AromaticContact CD2-CE1 3.55Å; F551-Y601 HydrophobicContact CD2-CE1 3.55Å; F551-Y601 HydrophobicContact CD2-CE2 4.2Å; F551-Y601 AromaticContact CD2-CZ 3.4Å; F551-Y601 VanDerWaalsContact CD2-OH 3.25Å; F551-Y601 WeakPolarHBondContact CD2-OH 3.08Å; F551-Y601 AromaticContact CE2-CD1 3.83Å; F551-Y601 HydrophobicContact CE2-CD1 3.83Å; F551-Y601 HydrophobicContact CE2-CD2 4.09Å; F551-Y601 AromaticContact CE2-CE1 3.34Å; F551-Y601 HydrophobicContact CE2-CE1 3.34Å; F551-Y601 AromaticContact CE2-CE2 3.61Å; F551-Y601 HydrophobicContact CE2-CE2 3.61Å; F551-Y601 HydrophobicContact CE2-CG 4.19Å; F551-Y601 AromaticContact CE2-CZ 3.21Å; F551-Y601 HydrophobicContact CZ-CE2 4.24Å; F551-I681 HydrophobicContact CD2-CD1 4.32Å; F551-I681 HydrophobicContact CE1-CD1 4.09Å; F551-I681 HydrophobicContact CE2-CD1 3.59Å; F551-I681 HydrophobicContact CZ-CD1 3.47Å; F551-I681 VanDerWaalsContact CZ-CD1 3.47Å |
| 552 | C | 76.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -28.6 | -177 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | P550 S554 L555 G556 L557 C572 C573 | P550-C552 VanDerWaalsContact C-N 3.32Å; P550-C552 PolarHBondContact O-N 2.98Å; P550-C552 VanDerWaalsContact O-N 3.15Å; C552-S554 PolarHBondContact O-N 2.83Å; C552-L555 CarbonylContact O-C 3.5Å; C552-L555 WeakPolarHBondContact O-CA 3.32Å; C552-L555 WeakPolarHBondContact O-CB 3.29Å; C552-L555 PolarHBondContact O-N 2.89Å; C552-G556 PolarHBondContact O-N 3.19Å; C552-G556 VanDerWaalsContact O-N 3.14Å; C552-L557 CarbonylContact C-O 3.52Å; C552-L557 HydrophobicContact CB-CB 4.29Å; C552-L557 WeakPolarHBondContact CB-O 3.47Å; C552-L557 PolarHBondContact O-N 3.25Å; C552-C572 PolarHBondContact SG-O 2.84Å; C552-C573 VanDerWaalsContact CA-SG 3.59Å; C552-C573 HydrophobicContact CB-CB 3.88Å; C552-C573 WeakPolarHBondContact CB-SG 3.29Å; C552-C573 WeakPolarHBondContact SG-CA 3.42Å; C552-C573 WeakPolarHBondContact SG-CB 3.13Å; C552-C573 CovalentContact SG-SG 2.04Å; C552-C573 PolarHBondContact SG-SG 3.11Å |
| 553 | F | 74.3 | Confident | 76.2 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -33.6 | 177 | -177.7 | -99 | 0 | 0 | 0 | 111.9 | H549 P550 F551 L555 G556 L557 H609 | H549-F553 HydrophobicContact CB-CB 3.87Å; H549-F553 HydrophobicContact CB-CD1 3.45Å; H549-F553 VanDerWaalsContact CB-CD1 3.45Å; H549-F553 HydrophobicContact CB-CE1 4.09Å; H549-F553 HydrophobicContact CB-CG 3.7Å; H549-F553 AromaticContact CE1-CZ 3.9Å; H549-F553 AromaticContact CG-CD1 3.63Å; H549-F553 AromaticContact CG-CE1 3.78Å; H549-F553 AromaticContact CG-CG 3.92Å; H549-F553 AromaticContact ND1-CD1 3.75Å; H549-F553 AromaticContact ND1-CD2 3.63Å; H549-F553 AromaticContact ND1-CE1 3.76Å; H549-F553 AromaticContact ND1-CE2 3.65Å; H549-F553 AromaticContact ND1-CG 3.68Å; H549-F553 AromaticContact ND1-CZ 3.71Å; P550-F553 WeakPolarHBondContact O-CB 3.41Å; P550-F553 PolarHBondContact O-N 2.75Å; F551-F553 PolarHBondContact O-N 3.41Å; F551-F553 VanDerWaalsContact O-N 3.15Å; F553-L555 PolarHBondContact O-N 3.31Å; F553-G556 WeakPolarHBondContact O-CA 3.37Å; F553-G556 PolarHBondContact O-N 3.07Å; F553-L557 PolarHBondContact N-O 2.87Å; F553-H609 AromaticContact CE1-CE1 3.69Å |
| 554 | S | 69.3 | Low | 75.7 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -23.5 | 175.2 | 76.8 | 0 | 0 | 0 | 0 | 113 | F551 C552 G556 Y601 | F551-S554 WeakPolarHBondContact O-CB 3.41Å; F551-S554 PolarHBondContact O-N 2.94Å; F551-S554 PolarHBondContact O-OG 3.36Å; C552-S554 PolarHBondContact O-N 2.83Å; S554-G556 VanDerWaalsContact C-N 3.35Å; S554-Y601 PolarHBondContact OG-OH 3.07Å; S554-Y601 VanDerWaalsContact OG-OH 3.1Å |
| 555 | L | 69.2 | Low | 75.5 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.8 | 171.4 | -55.9 | -179.8 | 0 | 0 | 0 | 111.7 | F551 C552 F553 L557 V591 Y613 F652 | F551-L555 HydrophobicContact CD1-CD1 4.39Å; F551-L555 HydrophobicContact CE1-CD1 3.64Å; F551-L555 HydrophobicContact CE1-CG 4.26Å; F551-L555 HydrophobicContact CZ-CD1 4.3Å; C552-L555 CarbonylContact O-C 3.5Å; C552-L555 WeakPolarHBondContact O-CA 3.32Å; C552-L555 WeakPolarHBondContact O-CB 3.29Å; C552-L555 PolarHBondContact O-N 2.89Å; F553-L555 PolarHBondContact O-N 3.31Å; L555-L557 HydrophobicContact CB-CD1 4.26Å; L555-L557 HydrophobicContact CB-CG 4.24Å; L555-L557 PolarHBondContact O-N 3.23Å; L555-V591 HydrophobicContact CD1-CG2 4.43Å; L555-Y613 WeakPolarHBondContact O-CE1 3.42Å; L555-Y613 PolarHBondContact O-OH 2.87Å; L555-F652 HydrophobicContact CD2-CZ 4.33Å |
| 556 | G | 68.7 | Low | 75.2 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 24.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C552 F553 S554 Y613 | C552-G556 PolarHBondContact O-N 3.19Å; C552-G556 VanDerWaalsContact O-N 3.14Å; F553-G556 WeakPolarHBondContact O-CA 3.37Å; F553-G556 PolarHBondContact O-N 3.07Å; S554-G556 VanDerWaalsContact C-N 3.35Å; G556-Y613 VanDerWaalsContact C-OH 3.24Å; G556-Y613 WeakPolarHBondContact CA-OH 3.33Å; G556-Y613 PolarHBondContact O-OH 3.37Å |
| 557 | L | 74.4 | Confident | 75.3 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -113.6 | 164.9 | 175 | -57.4 | 175.6 | 0 | 0 | 0 | 109.7 | C552 F553 L555 C573 L574 F575 Y613 | C552-L557 CarbonylContact C-O 3.52Å; C552-L557 HydrophobicContact CB-CB 4.29Å; C552-L557 WeakPolarHBondContact CB-O 3.47Å; C552-L557 PolarHBondContact O-N 3.25Å; F553-L557 PolarHBondContact N-O 2.87Å; L555-L557 HydrophobicContact CB-CD1 4.26Å; L555-L557 HydrophobicContact CB-CG 4.24Å; L555-L557 PolarHBondContact O-N 3.23Å; L557-C573 HydrophobicContact CB-CB 3.96Å; L557-C573 HydrophobicContact CD1-CB 3.82Å; L557-L574 WeakPolarHBondContact CD2-O 3.36Å; L557-F575 HydrophobicContact CD1-CD1 3.69Å; L557-F575 HydrophobicContact CD1-CE1 3.42Å; L557-F575 VanDerWaalsContact CD1-CE1 3.42Å; L557-F575 HydrophobicContact CD1-CE2 4.49Å; L557-F575 HydrophobicContact CD1-CG 4.34Å; L557-F575 HydrophobicContact CD1-CZ 3.87Å; L557-Y613 HydrophobicContact CD2-CD1 4.41Å; L557-Y613 HydrophobicContact CD2-CE1 3.97Å; L557-Y613 HydrophobicContact CG-CE1 4.27Å | ||
| 558 | E | 77.7 | Confident | 75.1 | Confident | 143 Ų | 143 | 50.8 Ų | 50.8 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | trans | -93 | 148.7 | 173.4 | -68.9 | -178.1 | -176.7 | 0 | 0 | 111 | C573 L574 | E558-C573 CarbonylContact O-C 3.51Å; E558-C573 VanDerWaalsContact O-CA 3.27Å; E558-C573 WeakPolarHBondContact O-CA 3.43Å; E558-L574 HydrophobicContact CB-CB 4.36Å; E558-L574 HydrophobicContact CB-CD1 3.82Å; E558-L574 PolarHBondContact O-N 2.89Å | ||
| 559 | T | 81.3 | Confident | 75.1 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 144.2 | 174.9 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | P550 | P550-T559 HydrophobicContact CB-CG2 4.4Å; P550-T559 HydrophobicContact CG-CG2 4.42Å |
| 560 | C | 74.6 | Confident | 75.2 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 17% | 0.169 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 172.4 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | C572 C573 L574 C588 | C560-C572 PolarHBondContact N-O 2.76Å; C560-C572 WeakPolarHBondContact O-CB 3.3Å; C560-C572 VanDerWaalsContact SG-C 3.56Å; C560-C573 PolarHBondContact SG-O 2.91Å; C560-L574 HydrophobicContact CB-CD1 4.07Å; C560-L574 HydrophobicContact CB-CD2 4.45Å; C560-L574 HydrophobicContact CB-CG 3.78Å; C560-C588 HydrophobicContact CB-CB 3.85Å; C560-C588 WeakPolarHBondContact CB-SG 3.45Å; C560-C588 WeakPolarHBondContact SG-CA 3.4Å; C560-C588 WeakPolarHBondContact SG-CB 3.27Å; C560-C588 CovalentContact SG-SG 2.02Å; C560-C588 PolarHBondContact SG-SG 2.85Å |
| 561 | I | 77.4 | Confident | 75.1 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 41% | 0.41 | 25% | 0.247 | S | C | . | . | trans | -107.1 | 126 | 174.5 | -60.2 | 175.4 | 0 | 0 | 0 | 107.5 | C588 | I561-C588 PolarHBondContact O-SG 3.25Å; I561-C588 VanDerWaalsContact O-SG 3.33Å | ||
| 562 | C | 76.3 | Confident | 75 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -64.4 | 146.6 | 177.7 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | S564 E567 C572 P590 | C562-S564 VanDerWaalsContact C-N 3.29Å; C562-S564 PolarHBondContact O-N 3.23Å; C562-E567 HydrophobicContact CB-CB 3.68Å; C562-C572 HydrophobicContact CB-CB 4.25Å; C562-C572 WeakPolarHBondContact CB-SG 3.27Å; C562-C572 WeakPolarHBondContact SG-CB 3.36Å; C562-C572 CovalentContact SG-SG 2.04Å; C562-C572 PolarHBondContact SG-SG 3.47Å; C562-P590 WeakPolarHBondContact SG-CD 3.29Å; C562-P590 VanDerWaalsContact SG-N 3.38Å | ||
| 563 | D | 65 | Low | 75 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -73 | -15.8 | -172.6 | -66.7 | -33.1 | 0 | 0 | 0 | 114.4 | L690 | D563-L690 VanDerWaalsContact O-CD2 3.27Å; D563-L690 WeakPolarHBondContact O-CD2 3.37Å |
| 564 | S | 69.2 | Low | 75 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -92.6 | 141.4 | 175.8 | 77.7 | 0 | 0 | 0 | 0 | 111.1 | C562 E566 E567 S568 | C562-S564 VanDerWaalsContact C-N 3.29Å; C562-S564 PolarHBondContact O-N 3.23Å; S564-E566 PolarHBondContact O-N 2.56Å; S564-E567 PolarHBondContact O-N 3.15Å; S564-E567 WeakPolarHBondContact OG-CB 3.38Å; S564-E567 WeakPolarHBondContact OG-CG 3.36Å; S564-E567 PolarHBondContact OG-N 2.78Å; S564-E567 VanDerWaalsContact OG-N 3.17Å; S564-E567 PolarHBondContact OG-OE2 2.79Å; S564-S568 WeakPolarHBondContact O-CB 3.28Å; S564-S568 PolarHBondContact O-N 3.46Å |
| 565 | V | 69.5 | Low | 75 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37.3 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | S568 L690 C699 | V565-S568 PolarHBondContact O-OG 2.79Å; V565-L690 HydrophobicContact CG2-CD2 3.97Å; V565-C699 HydrophobicContact CG1-CB 4.05Å |
| 566 | E | 75.2 | Confident | 74.8 | Confident | 140 Ų | 140 | 43.4 Ų | 43.4 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.6 | 179.8 | -57.4 | 77.8 | -164.7 | 0 | 0 | 112.4 | S564 | S564-E566 PolarHBondContact O-N 2.56Š|
| 567 | E | 76.7 | Confident | 74.2 | Confident | 56 Ų | 56 | 43 Ų | 43 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -13.6 | -177.9 | -63.2 | 155.8 | 173.3 | 0 | 0 | 113.6 | C562 S564 C569 F570 | C562-E567 HydrophobicContact CB-CB 3.68Å; S564-E567 PolarHBondContact O-N 3.15Å; S564-E567 WeakPolarHBondContact OG-CB 3.38Å; S564-E567 WeakPolarHBondContact OG-CG 3.36Å; S564-E567 PolarHBondContact OG-N 2.78Å; S564-E567 VanDerWaalsContact OG-N 3.17Å; S564-E567 PolarHBondContact OG-OE2 2.79Å; E567-C569 PolarHBondContact O-N 3.1Å; E567-F570 HydrophobicContact CB-CD2 3.65Å; E567-F570 HydrophobicContact CB-CE2 3.98Å; E567-F570 HydrophobicContact CG-CD2 3.87Å; E567-F570 HydrophobicContact CG-CE2 3.77Å; E567-F570 WeakPolarHBondContact O-CB 3.27Å; E567-F570 WeakPolarHBondContact O-CD2 3.49Å; E567-F570 PolarHBondContact O-N 2.67Å |
| 568 | S | 75.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.1 | -176.1 | 65.4 | 0 | 0 | 0 | 0 | 114.8 | S564 V565 C689 | S564-S568 WeakPolarHBondContact O-CB 3.28Å; S564-S568 PolarHBondContact O-N 3.46Å; V565-S568 PolarHBondContact O-OG 2.79Å; S568-C689 WeakPolarHBondContact OG-CB 3.41Å |
| 569 | C | 82.9 | Confident | 71.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 10.6 | 172.6 | -71.8 | 0 | 0 | 0 | 0 | 114.6 | E567 H682 L683 C694 G697 C699 | E567-C569 PolarHBondContact O-N 3.1Å; C569-H682 WeakPolarHBondContact O-CA 3.4Å; C569-L683 PolarHBondContact O-N 3.45Å; C569-C694 WeakPolarHBondContact CA-SG 3.46Å; C569-C694 HydrophobicContact CB-CB 3.92Å; C569-C694 WeakPolarHBondContact CB-SG 3.34Å; C569-C694 WeakPolarHBondContact SG-CA 3.27Å; C569-C694 WeakPolarHBondContact SG-CB 3.4Å; C569-C694 CovalentContact SG-SG 2.04Å; C569-C694 PolarHBondContact SG-SG 2.82Å; C569-G697 VanDerWaalsContact CB-O 3.26Å; C569-G697 WeakPolarHBondContact CB-O 3.34Å; C569-C699 VanDerWaalsContact SG-CA 3.53Å; C569-C699 PolarHBondContact SG-N 3.19Å |
| 570 | F | 83.6 | Confident | 70 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -92.3 | 156.9 | 165.9 | -56.1 | -49.4 | 0 | 0 | 0 | 110.7 | E567 C572 P590 H680 I681 H682 | E567-F570 HydrophobicContact CB-CD2 3.65Å; E567-F570 HydrophobicContact CB-CE2 3.98Å; E567-F570 HydrophobicContact CG-CD2 3.87Å; E567-F570 HydrophobicContact CG-CE2 3.77Å; E567-F570 WeakPolarHBondContact O-CB 3.27Å; E567-F570 WeakPolarHBondContact O-CD2 3.49Å; E567-F570 PolarHBondContact O-N 2.67Å; F570-C572 PolarHBondContact O-N 2.81Å; F570-C572 VanDerWaalsContact O-N 3.15Å; F570-C572 PolarHBondContact O-SG 3.34Å; F570-P590 HydrophobicContact CB-CB 4.04Å; F570-P590 HydrophobicContact CD2-CB 4.08Å; F570-P590 HydrophobicContact CG-CB 4.45Å; F570-H680 HydrophobicContact CD1-CB 3.59Å; F570-H680 HydrophobicContact CE1-CB 3.46Å; F570-H680 VanDerWaalsContact CE1-CB 3.46Å; F570-H680 AromaticContact CE1-CG 3.86Å; F570-H680 HydrophobicContact CG-CB 4.25Å; F570-H680 HydrophobicContact CZ-CB 4.09Å; F570-H680 AromaticContact CZ-CG 3.97Å; F570-I681 CarbonylContact C-O 3.55Å; F570-I681 VanDerWaalsContact CA-O 3.27Å; F570-I681 WeakPolarHBondContact CA-O 3.22Å; F570-H682 AromaticContact CD1-CE1 3.72Å; F570-H682 AromaticContact CD1-ND1 3.57Å; F570-H682 AromaticContact CE1-CE1 3.21Å; F570-H682 WeakPolarHBondContact CE1-CE1 3.41Å; F570-H682 AromaticContact CE1-ND1 3.56Å; F570-H682 AromaticContact CE1-NE2 3.75Å |
| 571 | I | 78.9 | Confident | 68.9 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -69.3 | 110.1 | 166.1 | -60.8 | -171.2 | 0 | 0 | 0 | 107.8 | H540 F551 V591 I681 L683 | H540-I571 HydrophobicContact CB-CD1 4.05Å; F551-I571 HydrophobicContact CB-CD1 3.9Å; F551-I571 HydrophobicContact CB-CG2 3.99Å; F551-I571 HydrophobicContact CD1-CG2 3.61Å; F551-I571 HydrophobicContact CE1-CG2 4.43Å; F551-I571 HydrophobicContact CG-CD1 4.14Å; F551-I571 HydrophobicContact CG-CG2 4.04Å; I571-V591 PolarHBondContact O-N 3.24Å; I571-I681 HydrophobicContact CB-CB 4.31Å; I571-I681 HydrophobicContact CD1-CB 4.14Å; I571-I681 HydrophobicContact CD1-CG2 3.45Å; I571-I681 VanDerWaalsContact CD1-CG2 3.45Å; I571-I681 HydrophobicContact CG1-CB 4.22Å; I571-I681 HydrophobicContact CG1-CG2 3.95Å; I571-I681 PolarHBondContact N-O 3.29Å; I571-L683 HydrophobicContact CG1-CD2 3.98Å | ||
| 572 | C | 78.4 | Confident | 67.7 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.3 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | C552 C560 C562 F570 C588 L589 | C552-C572 PolarHBondContact SG-O 2.84Å; C560-C572 PolarHBondContact N-O 2.76Å; C560-C572 WeakPolarHBondContact O-CB 3.3Å; C560-C572 VanDerWaalsContact SG-C 3.56Å; C562-C572 HydrophobicContact CB-CB 4.25Å; C562-C572 WeakPolarHBondContact CB-SG 3.27Å; C562-C572 WeakPolarHBondContact SG-CB 3.36Å; C562-C572 CovalentContact SG-SG 2.04Å; C562-C572 PolarHBondContact SG-SG 3.47Å; F570-C572 PolarHBondContact O-N 2.81Å; F570-C572 VanDerWaalsContact O-N 3.15Å; F570-C572 PolarHBondContact O-SG 3.34Å; C572-C588 WeakPolarHBondContact CB-SG 3.06Å; C572-L589 VanDerWaalsContact CA-O 3.27Å; C572-L589 WeakPolarHBondContact CA-O 3.46Å; C572-L589 WeakPolarHBondContact CB-O 3.42Å |
| 573 | C | 77.1 | Confident | 66.3 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 150.9 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | C552 L557 E558 C560 F575 L589 V591 | C552-C573 VanDerWaalsContact CA-SG 3.59Å; C552-C573 HydrophobicContact CB-CB 3.88Å; C552-C573 WeakPolarHBondContact CB-SG 3.29Å; C552-C573 WeakPolarHBondContact SG-CA 3.42Å; C552-C573 WeakPolarHBondContact SG-CB 3.13Å; C552-C573 CovalentContact SG-SG 2.04Å; C552-C573 PolarHBondContact SG-SG 3.11Å; L557-C573 HydrophobicContact CB-CB 3.96Å; L557-C573 HydrophobicContact CD1-CB 3.82Å; E558-C573 CarbonylContact O-C 3.51Å; E558-C573 VanDerWaalsContact O-CA 3.27Å; E558-C573 WeakPolarHBondContact O-CA 3.43Å; C560-C573 PolarHBondContact SG-O 2.91Å; C573-F575 HydrophobicContact CB-CD2 4.47Å; C573-F575 HydrophobicContact CB-CE2 3.92Å; C573-F575 HydrophobicContact CB-CZ 4.22Å; C573-F575 WeakPolarHBondContact O-CD2 3.24Å; C573-F575 WeakPolarHBondContact O-CE2 3.2Å; C573-F575 PolarHBondContact O-N 2.72Å; C573-L589 PolarHBondContact N-O 3.33Å; C573-L589 PolarHBondContact O-N 3.28Å; C573-L589 VanDerWaalsContact O-N 3.15Å; C573-V591 HydrophobicContact CB-CG2 4.22Å; C573-V591 WeakPolarHBondContact SG-CG2 3.45Å |
| 574 | L | 73.6 | Confident | 65.6 | Low | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 110.4 | 173 | -83.6 | 154.3 | 0 | 0 | 0 | 109.5 | L557 E558 C560 | L557-L574 WeakPolarHBondContact CD2-O 3.36Å; E558-L574 HydrophobicContact CB-CB 4.36Å; E558-L574 HydrophobicContact CB-CD1 3.82Å; E558-L574 PolarHBondContact O-N 2.89Å; C560-L574 HydrophobicContact CB-CD1 4.07Å; C560-L574 HydrophobicContact CB-CD2 4.45Å; C560-L574 HydrophobicContact CB-CG 3.78Å |
| 575 | F | 69.6 | Low | 65 | Low | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.4 | 176.7 | -66.5 | -90.3 | 0 | 0 | 0 | 111.6 | L557 C573 T577 T586 I587 L589 V591 Y625 | L557-F575 HydrophobicContact CD1-CD1 3.69Å; L557-F575 HydrophobicContact CD1-CE1 3.42Å; L557-F575 VanDerWaalsContact CD1-CE1 3.42Å; L557-F575 HydrophobicContact CD1-CE2 4.49Å; L557-F575 HydrophobicContact CD1-CG 4.34Å; L557-F575 HydrophobicContact CD1-CZ 3.87Å; C573-F575 HydrophobicContact CB-CD2 4.47Å; C573-F575 HydrophobicContact CB-CE2 3.92Å; C573-F575 HydrophobicContact CB-CZ 4.22Å; C573-F575 WeakPolarHBondContact O-CD2 3.24Å; C573-F575 WeakPolarHBondContact O-CE2 3.2Å; C573-F575 PolarHBondContact O-N 2.72Å; F575-T577 PolarHBondContact O-N 2.85Å; F575-T586 CarbonylContact O-C 3.1Å; F575-T586 VanDerWaalsContact O-CA 3.24Å; F575-T586 WeakPolarHBondContact O-CA 3.29Å; F575-I587 HydrophobicContact CB-CG2 4.23Å; F575-I587 PolarHBondContact N-O 3.01Å; F575-I587 PolarHBondContact O-N 3.4Å; F575-L589 HydrophobicContact CD2-CB 4.01Å; F575-L589 HydrophobicContact CE2-CB 4.18Å; F575-V591 HydrophobicContact CZ-CG2 4.42Å; F575-Y625 HydrophobicContact CB-CE1 3.81Å; F575-Y625 HydrophobicContact CB-CE2 3.98Å; F575-Y625 VanDerWaalsContact CB-CZ 3.42Å; F575-Y625 VanDerWaalsContact CB-OH 3.26Å; F575-Y625 WeakPolarHBondContact CB-OH 3.49Å; F575-Y625 AromaticContact CD1-CD1 3.72Å; F575-Y625 HydrophobicContact CD1-CD1 3.72Å; F575-Y625 AromaticContact CD1-CD2 3.75Å; F575-Y625 HydrophobicContact CD1-CD2 3.75Å; F575-Y625 AromaticContact CD1-CE1 3.68Å; F575-Y625 HydrophobicContact CD1-CE1 3.68Å; F575-Y625 AromaticContact CD1-CE2 3.72Å; F575-Y625 HydrophobicContact CD1-CE2 3.72Å; F575-Y625 AromaticContact CD1-CG 3.76Å; F575-Y625 HydrophobicContact CD1-CG 3.76Å; F575-Y625 AromaticContact CD1-CZ 3.71Å; F575-Y625 HydrophobicContact CE1-CD1 4.36Å; F575-Y625 HydrophobicContact CE1-CD2 4.01Å; F575-Y625 HydrophobicContact CE1-CE2 4.36Å; F575-Y625 HydrophobicContact CE1-CG 4.02Å; F575-Y625 HydrophobicContact CG-CD2 4.35Å; F575-Y625 HydrophobicContact CG-CE1 4.14Å; F575-Y625 AromaticContact CG-CE2 3.88Å; F575-Y625 HydrophobicContact CG-CE2 3.88Å; F575-Y625 AromaticContact CG-CZ 3.79Å |
| 576 | P | 64.6 | Low | 64.8 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.4 | 173.1 | 29.3 | -32 | 0 | 0 | 0 | 110.7 | Y625 | P576-Y625 PolarHBondContact O-OH 3.49Å |
| 577 | T | 56.4 | Low | 64.4 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -84.6 | -15.3 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | F575 S585 I587 | F575-T577 PolarHBondContact O-N 2.85Å; T577-S585 WeakPolarHBondContact CB-O 3.47Å; T577-S585 PolarHBondContact N-O 3.22Å; T577-S585 VanDerWaalsContact OG1-CB 3.29Å; T577-S585 WeakPolarHBondContact OG1-CB 3.24Å; T577-S585 PolarHBondContact OG1-O 2.95Å; T577-S585 PolarHBondContact OG1-OG 2.85Å; T577-I587 HydrophobicContact CG2-CB 3.54Å; T577-I587 HydrophobicContact CG2-CG2 3.33Å |
| 578 | S | 51.5 | Low | 64.1 | Low | 33 Ų | 33 | 57 Ų | 57 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | trans | -132.5 | 136.9 | -173.9 | 145.2 | 0 | 0 | 0 | 0 | 109.2 | S580 N583 | S578-S580 PolarHBondContact O-N 3.45Å; S578-S580 WeakPolarHBondContact OG-CB 3.02Å; S578-S580 PolarHBondContact OG-N 2.73Å; S578-N583 PolarHBondContact OG-O 2.96Å | ||
| 579 | N | 51.1 | Low | 63.9 | Low | 143 Ų | 143 | 57.7 Ų | 57.7 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | trans | -80.4 | -0.3 | 170.8 | -98.9 | 0.1 | 0 | 0 | 0 | 112.9 | ||||
| 580 | S | 43.9 | Very low | 63.4 | Low | 60 Ų | 60 | 57.9 Ų | 57.9 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | trans | -84.9 | 123.8 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 111 | S578 K582 | S578-S580 PolarHBondContact O-N 3.45Å; S578-S580 WeakPolarHBondContact OG-CB 3.02Å; S578-S580 PolarHBondContact OG-N 2.73Å; S580-K582 PolarHBondContact O-N 3.46Å | ||
| 581 | T | 50.9 | Low | 62.9 | Low | 131 Ų | 131 | 56.7 Ų | 56.7 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.9 | 175.7 | 43.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 582 | K | 51.7 | Low | 62.3 | Low | 183 Ų | 183 | 56.9 Ų | 56.9 | 80% | 0.796 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -18.9 | -175.7 | -72.6 | -173 | 176.4 | -178.2 | 0 | 114.8 | S580 | S580-K582 PolarHBondContact O-N 3.46Š|
| 583 | N | 46.4 | Very low | 61.8 | Low | 136 Ų | 136 | 57.2 Ų | 57.2 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | trans | -154.1 | 83.9 | 176 | -93.9 | -17.3 | 0 | 0 | 0 | 107.9 | S578 S585 | S578-N583 PolarHBondContact OG-O 2.96Å; N583-S585 PolarHBondContact O-N 3.34Å; N583-S585 VanDerWaalsContact O-N 3.12Å | ||
| 584 | Q | 51.1 | Low | 61.1 | Low | 134 Ų | 134 | 57.7 Ų | 57.7 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | trans | -78.3 | 90.8 | 170.8 | -83.5 | 179.8 | -28.5 | 0 | 0 | 108.7 | ||||
| 585 | S | 56.9 | Low | 60.6 | Low | 66 Ų | 66 | 59.9 Ų | 59.9 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | trans | -72.3 | 124.7 | 160.3 | 40.9 | 0 | 0 | 0 | 0 | 108.3 | T577 N583 | T577-S585 WeakPolarHBondContact CB-O 3.47Å; T577-S585 PolarHBondContact N-O 3.22Å; T577-S585 VanDerWaalsContact OG1-CB 3.29Å; T577-S585 WeakPolarHBondContact OG1-CB 3.24Å; T577-S585 PolarHBondContact OG1-O 2.95Å; T577-S585 PolarHBondContact OG1-OG 2.85Å; N583-S585 PolarHBondContact O-N 3.34Å; N583-S585 VanDerWaalsContact O-N 3.12Å | ||
| 586 | T | 65.2 | Low | 60.2 | Low | 84 Ų | 84 | 62.7 Ų | 62.7 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.6 | 172.9 | 51.2 | 0 | 0 | 0 | 0 | 110 | F575 | F575-T586 CarbonylContact O-C 3.1Å; F575-T586 VanDerWaalsContact O-CA 3.24Å; F575-T586 WeakPolarHBondContact O-CA 3.29Å |
| 587 | I | 65.7 | Low | 60.2 | Low | 45 Ų | 45 | 63 Ų | 63 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.4 | 172.9 | -168.1 | 167.1 | 0 | 0 | 0 | 109 | F575 T577 L589 | F575-I587 HydrophobicContact CB-CG2 4.23Å; F575-I587 PolarHBondContact N-O 3.01Å; F575-I587 PolarHBondContact O-N 3.4Å; T577-I587 HydrophobicContact CG2-CB 3.54Å; T577-I587 HydrophobicContact CG2-CG2 3.33Å; I587-L589 HydrophobicContact CB-CD1 4.32Å; I587-L589 HydrophobicContact CD1-CD1 4.06Å; I587-L589 HydrophobicContact CD1-CD2 4.17Å; I587-L589 HydrophobicContact CD1-CG 4.29Å; I587-L589 HydrophobicContact CG1-CD1 4.05Å; I587-L589 HydrophobicContact CG1-CD2 4.19Å; I587-L589 HydrophobicContact CG1-CG 3.95Å; I587-L589 HydrophobicContact CG2-CD1 3.41Å; I587-L589 VanDerWaalsContact CG2-CD1 3.41Å; I587-L589 HydrophobicContact CG2-CG 4.01Å |
| 588 | C | 70.5 | Confident | 60.6 | Low | 19 Ų | 19 | 64.4 Ų | 64.4 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.7 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | C560 I561 C572 | C560-C588 HydrophobicContact CB-CB 3.85Å; C560-C588 WeakPolarHBondContact CB-SG 3.45Å; C560-C588 WeakPolarHBondContact SG-CA 3.4Å; C560-C588 WeakPolarHBondContact SG-CB 3.27Å; C560-C588 CovalentContact SG-SG 2.02Å; C560-C588 PolarHBondContact SG-SG 2.85Å; I561-C588 PolarHBondContact O-SG 3.25Å; I561-C588 VanDerWaalsContact O-SG 3.33Å; C572-C588 WeakPolarHBondContact CB-SG 3.06Å |
| 589 | L | 72.4 | Confident | 61.3 | Low | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.3 | -177.3 | -65.7 | 164.9 | 0 | 0 | 0 | 111.2 | C572 C573 F575 I587 V654 | C572-L589 VanDerWaalsContact CA-O 3.27Å; C572-L589 WeakPolarHBondContact CA-O 3.46Å; C572-L589 WeakPolarHBondContact CB-O 3.42Å; C573-L589 PolarHBondContact N-O 3.33Å; C573-L589 PolarHBondContact O-N 3.28Å; C573-L589 VanDerWaalsContact O-N 3.15Å; F575-L589 HydrophobicContact CD2-CB 4.01Å; F575-L589 HydrophobicContact CE2-CB 4.18Å; I587-L589 HydrophobicContact CB-CD1 4.32Å; I587-L589 HydrophobicContact CD1-CD1 4.06Å; I587-L589 HydrophobicContact CD1-CD2 4.17Å; I587-L589 HydrophobicContact CD1-CG 4.29Å; I587-L589 HydrophobicContact CG1-CD1 4.05Å; I587-L589 HydrophobicContact CG1-CD2 4.19Å; I587-L589 HydrophobicContact CG1-CG 3.95Å; I587-L589 HydrophobicContact CG2-CD1 3.41Å; I587-L589 VanDerWaalsContact CG2-CD1 3.41Å; I587-L589 HydrophobicContact CG2-CG 4.01Å; L589-V654 HydrophobicContact CB-CG1 3.22Å; L589-V654 HydrophobicContact CD1-CB 4.23Å; L589-V654 HydrophobicContact CD1-CG1 3.2Å; L589-V654 HydrophobicContact CD2-CG1 3.99Å; L589-V654 HydrophobicContact CG-CG1 3.57Å |
| 590 | P | 72.9 | Confident | 62 | Low | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.5 | -179.7 | 29.5 | -32.8 | 0 | 0 | 0 | 110.2 | C562 F570 | C562-P590 WeakPolarHBondContact SG-CD 3.29Å; C562-P590 VanDerWaalsContact SG-N 3.38Å; F570-P590 HydrophobicContact CB-CB 4.04Å; F570-P590 HydrophobicContact CD2-CB 4.08Å; F570-P590 HydrophobicContact CG-CB 4.45Å |
| 591 | V | 71.4 | Confident | 62.8 | Low | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | trans | -81.4 | 121.6 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | F551 L555 I571 C573 F575 L593 F652 | F551-V591 HydrophobicContact CE1-CB 4.24Å; F551-V591 HydrophobicContact CE1-CG1 3.97Å; F551-V591 HydrophobicContact CE1-CG2 4.11Å; F551-V591 HydrophobicContact CZ-CG1 4.26Å; L555-V591 HydrophobicContact CD1-CG2 4.43Å; I571-V591 PolarHBondContact O-N 3.24Å; C573-V591 HydrophobicContact CB-CG2 4.22Å; C573-V591 WeakPolarHBondContact SG-CG2 3.45Å; F575-V591 HydrophobicContact CZ-CG2 4.42Å; V591-L593 HydrophobicContact CG1-CD2 4.17Å; V591-L593 HydrophobicContact CG1-CG 4.37Å; V591-F652 HydrophobicContact CG1-CD1 4.43Å | ||
| 592 | I | 67.5 | Low | 63.2 | Low | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.8 | 177.8 | -48.4 | 179.2 | 0 | 0 | 0 | 107.7 | L678 | I592-L678 HydrophobicContact CG2-CB 3.78Å; I592-L678 HydrophobicContact CG2-CD1 4.27Å; I592-L678 HydrophobicContact CG2-CD2 4.01Å; I592-L678 HydrophobicContact CG2-CG 4.23Å |
| 593 | L | 66.8 | Low | 63.7 | Low | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.7 | 176.9 | -62.1 | -177.9 | 0 | 0 | 0 | 109.7 | V591 E597 F652 V679 I681 | V591-L593 HydrophobicContact CG1-CD2 4.17Å; V591-L593 HydrophobicContact CG1-CG 4.37Å; L593-E597 HydrophobicContact CB-CB 4.07Å; L593-E597 HydrophobicContact CD2-CB 4.27Å; L593-F652 HydrophobicContact CD2-CD1 3.93Å; L593-F652 HydrophobicContact CD2-CE1 3.73Å; L593-V679 PolarHBondContact N-O 2.91Å; L593-V679 PolarHBondContact O-N 3.15Å; L593-I681 HydrophobicContact CD1-CD1 3.75Å; L593-I681 HydrophobicContact CD1-CG1 4.38Å; L593-I681 HydrophobicContact CG-CD1 4.26Å |
| 594 | T | 62.3 | Low | 63.9 | Low | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 154.2 | 160.4 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | N596 E597 Y598 Y673 L678 | T594-N596 PolarHBondContact O-N 3.02Å; T594-N596 VanDerWaalsContact O-N 3.13Å; T594-E597 WeakPolarHBondContact CB-OE2 3.01Å; T594-E597 PolarHBondContact N-OE2 2.92Å; T594-E597 PolarHBondContact O-N 2.76Å; T594-E597 WeakPolarHBondContact OG1-CB 3.43Å; T594-E597 VanDerWaalsContact OG1-CD 3.22Å; T594-E597 WeakPolarHBondContact OG1-CG 3.21Å; T594-E597 PolarHBondContact OG1-N 2.82Å; T594-E597 PolarHBondContact OG1-OE2 3.21Å; T594-Y598 PolarHBondContact O-N 3.44Å; T594-Y673 HydrophobicContact CG2-CD1 4.05Å; T594-Y673 HydrophobicContact CG2-CE1 3.6Å; T594-L678 HydrophobicContact CG2-CD2 4.45Å |
| 595 | Q | 63.5 | Low | 63.8 | Low | 91 Ų | 91 | 53.7 Ų | 53.7 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.1 | -32.5 | 177.6 | -171.9 | 148.9 | -20.9 | 0 | 0 | 113 | L599 P677 V679 | Q595-L599 HydrophobicContact CG-CD1 4.43Å; Q595-L599 WeakPolarHBondContact O-CB 3.39Å; Q595-L599 VanDerWaalsContact O-CG 3.25Å; Q595-L599 WeakPolarHBondContact O-CG 3.14Å; Q595-L599 PolarHBondContact O-N 2.86Å; Q595-L599 VanDerWaalsContact O-N 3.09Å; Q595-P677 HydrophobicContact CB-CG 4.09Å; Q595-P677 PolarHBondContact N-O 3.47Å; Q595-P677 VanDerWaalsContact N-O 3.17Å; Q595-V679 HydrophobicContact CB-CG2 4.07Å; Q595-V679 HydrophobicContact CG-CG2 4.44Å |
| 596 | N | 62.2 | Low | 63.1 | Low | 67 Ų | 67 | 55.9 Ų | 55.9 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 173.6 | -78.2 | -21.4 | 0 | 0 | 0 | 113.1 | T594 L599 L600 Q676 | T594-N596 PolarHBondContact O-N 3.02Å; T594-N596 VanDerWaalsContact O-N 3.13Å; N596-L599 PolarHBondContact O-N 2.88Å; N596-L600 PolarHBondContact O-N 3.5Å; N596-Q676 PolarHBondContact ND2-NE2 3.49Å; N596-Q676 PolarHBondContact ND2-OE1 2.96Å |
| 597 | E | 64.2 | Low | 62.1 | Low | 39 Ų | 39 | 54.4 Ų | 54.4 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.7 | -74.3 | 164.7 | 148.1 | 0 | 0 | 112.2 | L593 T594 L600 Y601 | L593-E597 HydrophobicContact CB-CB 4.07Å; L593-E597 HydrophobicContact CD2-CB 4.27Å; T594-E597 WeakPolarHBondContact CB-OE2 3.01Å; T594-E597 PolarHBondContact N-OE2 2.92Å; T594-E597 PolarHBondContact O-N 2.76Å; T594-E597 WeakPolarHBondContact OG1-CB 3.43Å; T594-E597 VanDerWaalsContact OG1-CD 3.22Å; T594-E597 WeakPolarHBondContact OG1-CG 3.21Å; T594-E597 PolarHBondContact OG1-N 2.82Å; T594-E597 PolarHBondContact OG1-OE2 3.21Å; E597-L600 PolarHBondContact O-N 2.95Å; E597-Y601 WeakPolarHBondContact O-CB 3.32Å; E597-Y601 PolarHBondContact O-N 3.14Å |
| 598 | Y | 64 | Low | 60.9 | Low | 73 Ų | 73 | 57.1 Ų | 57.1 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.4 | -53.5 | 173.6 | -178.9 | -87.8 | 0 | 0 | 0 | 110 | T594 L600 Y601 F602 V679 I681 | T594-Y598 PolarHBondContact O-N 3.44Å; Y598-L600 PolarHBondContact O-N 2.77Å; Y598-Y601 PolarHBondContact O-N 2.86Å; Y598-F602 AromaticContact CD1-CD2 3.92Å; Y598-F602 HydrophobicContact CD1-CD2 3.92Å; Y598-F602 HydrophobicContact CD1-CE2 4.27Å; Y598-F602 HydrophobicContact CD2-CD2 4.03Å; Y598-F602 AromaticContact CD2-CE2 3.55Å; Y598-F602 HydrophobicContact CD2-CE2 3.55Å; Y598-F602 AromaticContact CE1-CD2 3.7Å; Y598-F602 HydrophobicContact CE1-CD2 3.7Å; Y598-F602 AromaticContact CE1-CE2 3.97Å; Y598-F602 HydrophobicContact CE1-CE2 3.97Å; Y598-F602 AromaticContact CE2-CD2 3.84Å; Y598-F602 HydrophobicContact CE2-CD2 3.84Å; Y598-F602 AromaticContact CE2-CE2 3.21Å; Y598-F602 HydrophobicContact CE2-CE2 3.21Å; Y598-F602 HydrophobicContact CE2-CZ 4.09Å; Y598-F602 HydrophobicContact CG-CD2 4.06Å; Y598-F602 HydrophobicContact CG-CE2 4.06Å; Y598-F602 AromaticContact CZ-CD2 3.64Å; Y598-F602 AromaticContact CZ-CE2 3.41Å; Y598-F602 VanDerWaalsContact CZ-CE2 3.41Å; Y598-F602 WeakPolarHBondContact O-CD2 3.37Å; Y598-F602 PolarHBondContact O-N 2.74Å; Y598-V679 HydrophobicContact CD2-CB 4.33Å; Y598-V679 HydrophobicContact CD2-CG1 3.61Å; Y598-V679 HydrophobicContact CE2-CG1 3.95Å; Y598-V679 HydrophobicContact CG-CB 4.49Å; Y598-V679 HydrophobicContact CG-CG1 4.03Å; Y598-I681 HydrophobicContact CD2-CG1 4.35Å; Y598-I681 HydrophobicContact CE2-CG1 4.41Å |
| 599 | L | 67 | Low | 59.3 | Low | 86 Ų | 86 | 61.8 Ų | 61.8 | 45% | 0.45 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -32.1 | 177.8 | -71 | 170.6 | 0 | 0 | 0 | 113 | Q595 N596 K603 | Q595-L599 HydrophobicContact CG-CD1 4.43Å; Q595-L599 WeakPolarHBondContact O-CB 3.39Å; Q595-L599 VanDerWaalsContact O-CG 3.25Å; Q595-L599 WeakPolarHBondContact O-CG 3.14Å; Q595-L599 PolarHBondContact O-N 2.86Å; Q595-L599 VanDerWaalsContact O-N 3.09Å; N596-L599 PolarHBondContact O-N 2.88Å; L599-K603 WeakPolarHBondContact O-CB 3.23Å; L599-K603 VanDerWaalsContact O-CG 3.3Å; L599-K603 WeakPolarHBondContact O-CG 3.41Å; L599-K603 PolarHBondContact O-N 2.82Å |
| 600 | L | 64.7 | Low | 57.5 | Low | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.7 | -46.3 | 175.4 | -115.3 | 84.3 | 0 | 0 | 0 | 112.8 | N596 E597 Y598 F602 K603 Q604 L638 | N596-L600 PolarHBondContact O-N 3.5Å; E597-L600 PolarHBondContact O-N 2.95Å; Y598-L600 PolarHBondContact O-N 2.77Å; L600-F602 VanDerWaalsContact C-N 3.27Å; L600-F602 PolarHBondContact O-N 3.05Å; L600-K603 PolarHBondContact O-N 2.91Å; L600-Q604 PolarHBondContact O-N 2.78Å; L600-L638 HydrophobicContact CD1-CD1 3.3Å; L600-L638 HydrophobicContact CD2-CD1 3.55Å; L600-L638 HydrophobicContact CG-CD1 3.99Å |
| 601 | Y | 61 | Low | 56.1 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | -177.2 | -177.2 | -89.9 | 0 | 0 | 0 | 111 | R542 F551 S554 E597 Y598 K603 | R542-Y601 PolarHBondContact NH1-OH 2.83Å; R542-Y601 PolarHBondContact NH2-O 3.08Å; R542-Y601 VanDerWaalsContact NH2-O 3.09Å; F551-Y601 HydrophobicContact CD2-CD1 4.43Å; F551-Y601 AromaticContact CD2-CE1 3.55Å; F551-Y601 HydrophobicContact CD2-CE1 3.55Å; F551-Y601 HydrophobicContact CD2-CE2 4.2Å; F551-Y601 AromaticContact CD2-CZ 3.4Å; F551-Y601 VanDerWaalsContact CD2-OH 3.25Å; F551-Y601 WeakPolarHBondContact CD2-OH 3.08Å; F551-Y601 AromaticContact CE2-CD1 3.83Å; F551-Y601 HydrophobicContact CE2-CD1 3.83Å; F551-Y601 HydrophobicContact CE2-CD2 4.09Å; F551-Y601 AromaticContact CE2-CE1 3.34Å; F551-Y601 HydrophobicContact CE2-CE1 3.34Å; F551-Y601 AromaticContact CE2-CE2 3.61Å; F551-Y601 HydrophobicContact CE2-CE2 3.61Å; F551-Y601 HydrophobicContact CE2-CG 4.19Å; F551-Y601 AromaticContact CE2-CZ 3.21Å; F551-Y601 HydrophobicContact CZ-CE2 4.24Å; S554-Y601 PolarHBondContact OG-OH 3.07Å; S554-Y601 VanDerWaalsContact OG-OH 3.1Å; E597-Y601 WeakPolarHBondContact O-CB 3.32Å; E597-Y601 PolarHBondContact O-N 3.14Å; Y598-Y601 PolarHBondContact O-N 2.86Å; Y601-K603 VanDerWaalsContact C-N 3.33Å |
| 602 | F | 60.8 | Low | 54.4 | Low | 55 Ų | 55 | 72.3 Ų | 72.3 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.9 | 178.1 | -68.7 | -68.8 | 0 | 0 | 0 | 114.5 | H540 Y598 L600 | H540-F602 HydrophobicContact CB-CE1 4.28Å; H540-F602 HydrophobicContact CB-CZ 4.36Å; H540-F602 AromaticContact CE1-CZ 3.97Å; H540-F602 AromaticContact ND1-CE1 3.19Å; H540-F602 WeakPolarHBondContact ND1-CE1 3.42Å; H540-F602 AromaticContact ND1-CZ 3.19Å; H540-F602 WeakPolarHBondContact ND1-CZ 3.07Å; Y598-F602 AromaticContact CD1-CD2 3.92Å; Y598-F602 HydrophobicContact CD1-CD2 3.92Å; Y598-F602 HydrophobicContact CD1-CE2 4.27Å; Y598-F602 HydrophobicContact CD2-CD2 4.03Å; Y598-F602 AromaticContact CD2-CE2 3.55Å; Y598-F602 HydrophobicContact CD2-CE2 3.55Å; Y598-F602 AromaticContact CE1-CD2 3.7Å; Y598-F602 HydrophobicContact CE1-CD2 3.7Å; Y598-F602 AromaticContact CE1-CE2 3.97Å; Y598-F602 HydrophobicContact CE1-CE2 3.97Å; Y598-F602 AromaticContact CE2-CD2 3.84Å; Y598-F602 HydrophobicContact CE2-CD2 3.84Å; Y598-F602 AromaticContact CE2-CE2 3.21Å; Y598-F602 HydrophobicContact CE2-CE2 3.21Å; Y598-F602 HydrophobicContact CE2-CZ 4.09Å; Y598-F602 HydrophobicContact CG-CD2 4.06Å; Y598-F602 HydrophobicContact CG-CE2 4.06Å; Y598-F602 AromaticContact CZ-CD2 3.64Å; Y598-F602 AromaticContact CZ-CE2 3.41Å; Y598-F602 VanDerWaalsContact CZ-CE2 3.41Å; Y598-F602 WeakPolarHBondContact O-CD2 3.37Å; Y598-F602 PolarHBondContact O-N 2.74Å; L600-F602 VanDerWaalsContact C-N 3.27Å; L600-F602 PolarHBondContact O-N 3.05Å |
| 603 | K | 60.3 | Low | 53 | Low | 169 Ų | 169 | 75.6 Ų | 75.6 | 74% | 0.735 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -23.4 | 170.5 | -83.3 | -179.1 | 179.3 | -178.6 | 0 | 113.6 | L599 L600 Y601 | L599-K603 WeakPolarHBondContact O-CB 3.23Å; L599-K603 VanDerWaalsContact O-CG 3.3Å; L599-K603 WeakPolarHBondContact O-CG 3.41Å; L599-K603 PolarHBondContact O-N 2.82Å; L600-K603 PolarHBondContact O-N 2.91Å; Y601-K603 VanDerWaalsContact C-N 3.33Å |
| 604 | Q | 52.6 | Low | 51.5 | Low | 86 Ų | 86 | 76.9 Ų | 76.9 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | trans | -78.6 | 125.2 | -176.5 | -75.5 | -178.9 | -6.4 | 0 | 0 | 111.7 | R542 L600 | R542-Q604 PolarHBondContact NH2-O 2.93Å; L600-Q604 PolarHBondContact O-N 2.78Å | ||
| 605 | N | 47.3 | Very low | 50.2 | Low | 125 Ų | 125 | 78.4 Ų | 78.4 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | trans | -96.5 | 2.2 | 171.5 | -85.5 | -15.3 | 0 | 0 | 0 | 113.6 | ||||
| 606 | T | 43.9 | Very low | 49 | Very low | 113 Ų | 113 | 77.2 Ų | 77.2 | 69% | 0.693 | 39% | 0.39 | S | S | * | . | trans | -136.3 | 124.4 | -172.2 | 53.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 607 | V | 42.5 | Very low | 47.5 | Very low | 52 Ų | 52 | 81.7 Ų | 81.7 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | trans | -112.7 | 133 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | R542 | R542-V607 VanDerWaalsContact CD-CG2 3.44Š| ||
| 608 | K | 41 | Very low | 46.1 | Very low | 102 Ų | 102 | 83.2 Ų | 83.2 | 44% | 0.443 | 41% | 0.41 | S | S | . | . | trans | -102.9 | 134.7 | 163.2 | -75.2 | -170.7 | -176.2 | 174.3 | 0 | 109.4 | S610 L631 P632 | K608-S610 PolarHBondContact O-N 3.25Å; K608-L631 HydrophobicContact CB-CD2 4.43Å; K608-L631 HydrophobicContact CD-CD2 3.7Å; K608-L631 HydrophobicContact CD-CG 4.46Å; K608-L631 HydrophobicContact CG-CD2 4.15Å; K608-P632 PolarHBondContact NZ-O 3.31Å | ||
| 609 | H | 36.8 | Very low | 44.9 | Very low | 118 Ų | 118 | 82.3 Ų | 82.3 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | trans | -86.4 | 101.1 | 176.1 | -73.7 | -85.1 | 0 | 0 | 0 | 111.1 | F544 F553 | F544-H609 AromaticContact CD2-NE2 3.88Å; F544-H609 AromaticContact CE2-NE2 3.89Å; F553-H609 AromaticContact CE1-CE1 3.69Å | ||
| 610 | S | 34.6 | Very low | 43.3 | Very low | 62 Ų | 62 | 82.6 Ų | 82.6 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | trans | -174.2 | 103.3 | 153.4 | 62.9 | 0 | 0 | 0 | 0 | 109 | K608 | K608-S610 PolarHBondContact O-N 3.25Š| ||
| 611 | K | 43.1 | Very low | 42.1 | Very low | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | trans | -144.2 | 133.3 | 173.8 | -65.6 | -171.2 | -176.4 | 177.3 | 0 | 111.6 | M627 | K611-M627 HydrophobicContact CB-CE 3.99Å; K611-M627 HydrophobicContact CB-SD 3.89Å; K611-M627 HydrophobicContact CD-SD 3.64Å; K611-M627 HydrophobicContact CG-SD 4.36Å | ||
| 612 | S | 35.5 | Very low | 41.1 | Very low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 44% | 0.437 | S | S | * | . | trans | -102.6 | 134.9 | 168.3 | 45 | 0 | 0 | 0 | 0 | 109.1 | M627 | S612-M627 VanDerWaalsContact O-CE 3.28Å; S612-M627 WeakPolarHBondContact O-CE 3.17Å | ||
| 613 | Y | 39.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 85.4 Ų | 85.4 | 31% | 0.31 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141 | 179.3 | -36 | -96.7 | 0 | 0 | 0 | 109.4 | L555 G556 L557 M627 | L555-Y613 WeakPolarHBondContact O-CE1 3.42Å; L555-Y613 PolarHBondContact O-OH 2.87Å; G556-Y613 VanDerWaalsContact C-OH 3.24Å; G556-Y613 WeakPolarHBondContact CA-OH 3.33Å; G556-Y613 PolarHBondContact O-OH 3.37Å; L557-Y613 HydrophobicContact CD2-CD1 4.41Å; L557-Y613 HydrophobicContact CD2-CE1 3.97Å; L557-Y613 HydrophobicContact CG-CE1 4.27Å; Y613-M627 HydrophobicContact CD1-CE 2.97Å; Y613-M627 HydrophobicContact CD1-SD 3.88Å; Y613-M627 HydrophobicContact CD2-CE 4.44Å; Y613-M627 HydrophobicContact CE1-CE 3.41Å; Y613-M627 VanDerWaalsContact CE1-CE 3.41Å; Y613-M627 HydrophobicContact CE1-SD 3.85Å; Y613-M627 HydrophobicContact CG-CE 3.52Å |
| 614 | S | 36.1 | Very low | 39.3 | Very low | 33 Ų | 33 | 78 Ų | 78 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.3 | 160.5 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | S626 H628 | S614-S626 PolarHBondContact N-O 2.89Å; S614-S626 VanDerWaalsContact N-O 3.08Å; S614-S626 PolarHBondContact O-N 2.84Å; S614-H628 PolarHBondContact OG-NE2 3.47Å; S614-H628 VanDerWaalsContact OG-NE2 3.14Å |
| 615 | M | 34.4 | Very low | 39 | Very low | 42 Ų | 42 | 74.2 Ų | 74.2 | 21% | 0.207 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.1 | 172.7 | -107.1 | -78.5 | -85.8 | 0 | 0 | 108.8 | Y617 I623 Y625 | M615-Y617 HydrophobicContact CE-CD2 3.53Å; M615-Y617 HydrophobicContact CE-CE2 3.54Å; M615-I623 HydrophobicContact CE-CD1 4.47Å; M615-I623 HydrophobicContact CE-CG2 3.74Å; M615-I623 HydrophobicContact SD-CG2 3.14Å; M615-I623 WeakPolarHBondContact SD-CG2 3.48Å; M615-Y625 HydrophobicContact CG-CD1 3.84Å; M615-Y625 HydrophobicContact CG-CE1 3.29Å; M615-Y625 HydrophobicContact SD-CD1 4Å; M615-Y625 HydrophobicContact SD-CD2 4.41Å; M615-Y625 HydrophobicContact SD-CE1 3.38Å; M615-Y625 WeakPolarHBondContact SD-CE1 3.38Å; M615-Y625 HydrophobicContact SD-CE2 3.85Å; M615-Y625 HydrophobicContact SD-CG 4.48Å; M615-Y625 PolarHBondContact SD-OH 3.2Å; M615-Y625 VanDerWaalsContact SD-OH 3.39Å |
| 616 | I | 37.8 | Very low | 38.9 | Very low | 66 Ų | 66 | 68.4 Ų | 68.4 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 104.6 | 171.5 | -53.7 | 177.6 | 0 | 0 | 0 | 107.2 | H618 L624 | I616-H618 PolarHBondContact O-N 3.43Å; I616-H618 VanDerWaalsContact O-N 3.11Å; I616-L624 HydrophobicContact CB-CB 4.42Å; I616-L624 PolarHBondContact N-O 3.49Å; I616-L624 PolarHBondContact O-N 3.36Å; I616-L624 VanDerWaalsContact O-N 3.12Å; I616-L624 VanDerWaalsContact O-O 3.11Å |
| 617 | Y | 30.5 | Very low | 38.6 | Very low | 161 Ų | 161 | 63.4 Ų | 63.4 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 103.2 | 175.4 | -124.6 | -85.5 | 0 | 0 | 0 | 108.9 | M615 I623 | M615-Y617 HydrophobicContact CE-CD2 3.53Å; M615-Y617 HydrophobicContact CE-CE2 3.54Å; Y617-I623 HydrophobicContact CE2-CD1 4.37Å |
| 618 | H | 36.1 | Very low | 38.5 | Very low | 72 Ų | 72 | 64.1 Ų | 64.1 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | trans | -95 | 157.8 | 167.9 | -118.6 | -90.6 | 0 | 0 | 0 | 109.6 | I616 L622 I669 | I616-H618 PolarHBondContact O-N 3.43Å; I616-H618 VanDerWaalsContact O-N 3.11Å; H618-L622 CarbonylContact C-O 3.56Å; H618-L622 WeakPolarHBondContact CB-O 3.45Å; H618-L622 PolarHBondContact N-O 3.27Å; H618-I669 WeakPolarHBondContact CE1-CD1 3.28Å; H618-I669 VanDerWaalsContact NE2-CD1 3.25Å; H618-I669 WeakPolarHBondContact NE2-CD1 3.19Å | ||
| 619 | S | 37.6 | Very low | 38.1 | Very low | 54 Ų | 54 | 64.2 Ų | 64.2 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -35.2 | 146.2 | -175.5 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | Q621 L622 | S619-Q621 PolarHBondContact O-N 2.75Å; S619-L622 PolarHBondContact O-N 2.63Å; S619-L622 VanDerWaalsContact O-N 3.09Å |
| 620 | K | 33.8 | Very low | 37.6 | Very low | 91 Ų | 91 | 64.5 Ų | 64.5 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.9 | 4.6 | -163.4 | -78.2 | -158.8 | 175.9 | -170.4 | 0 | 122 | Q659 K660 L661 | K620-Q659 HydrophobicContact CD-CB 4.29Å; K620-Q659 WeakPolarHBondContact CD-O 3.49Å; K620-K660 PolarHBondContact NZ-O 2.87Å; K620-L661 HydrophobicContact CD-CB 4.19Å |
| 621 | Q | 40.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 66.7 Ų | 66.7 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -17.8 | 170.3 | -73.5 | 179.7 | -14.8 | 0 | 0 | 114.4 | S619 N656 | S619-Q621 PolarHBondContact O-N 2.75Å; Q621-N656 PolarHBondContact O-N 3.11Å |
| 622 | L | 38.1 | Very low | 36.3 | Very low | 52 Ų | 52 | 66.1 Ų | 66.1 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 115.7 | -169.5 | -76.1 | 149.6 | 0 | 0 | 0 | 112.2 | H618 S619 I653 V654 | H618-L622 CarbonylContact C-O 3.56Å; H618-L622 WeakPolarHBondContact CB-O 3.45Å; H618-L622 PolarHBondContact N-O 3.27Å; S619-L622 PolarHBondContact O-N 2.63Å; S619-L622 VanDerWaalsContact O-N 3.09Å; L622-I653 HydrophobicContact CD2-CG2 3.25Å; L622-V654 WeakPolarHBondContact CA-O 3.3Å |
| 623 | I | 42.4 | Very low | 35.7 | Very low | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.9 | 168 | -62.9 | 177.4 | 0 | 0 | 0 | 107.2 | M615 Y617 Y625 V654 | M615-I623 HydrophobicContact CE-CD1 4.47Å; M615-I623 HydrophobicContact CE-CG2 3.74Å; M615-I623 HydrophobicContact SD-CG2 3.14Å; M615-I623 WeakPolarHBondContact SD-CG2 3.48Å; Y617-I623 HydrophobicContact CE2-CD1 4.37Å; I623-Y625 HydrophobicContact CB-CE2 4.34Å; I623-Y625 HydrophobicContact CG2-CD2 3.96Å; I623-Y625 HydrophobicContact CG2-CE2 3.39Å; I623-V654 HydrophobicContact CB-CB 4.46Å; I623-V654 PolarHBondContact N-O 2.76Å; I623-V654 WeakPolarHBondContact O-CA 3.01Å; I623-V654 VanDerWaalsContact O-CB 3.28Å; I623-V654 WeakPolarHBondContact O-CB 3.14Å; I623-V654 PolarHBondContact O-N 2.82Å |
| 624 | L | 41.7 | Very low | 34.9 | Very low | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124 | 174.7 | -121.3 | 85.2 | 0 | 0 | 0 | 109.2 | I616 H651 F652 I653 | I616-L624 HydrophobicContact CB-CB 4.42Å; I616-L624 PolarHBondContact N-O 3.49Å; I616-L624 PolarHBondContact O-N 3.36Å; I616-L624 VanDerWaalsContact O-N 3.12Å; I616-L624 VanDerWaalsContact O-O 3.11Å; L624-H651 HydrophobicContact CD2-CB 3.68Å; L624-H651 HydrophobicContact CG-CB 4.37Å; L624-F652 WeakPolarHBondContact CA-O 3.19Å; L624-I653 HydrophobicContact CD1-CG1 3.78Å |
| 625 | Y | 45.5 | Very low | 34.3 | Very low | 6 Ų | 6 | 76 Ų | 76 | 2% | 0.024 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.2 | 168 | -70.5 | -97 | 0 | 0 | 0 | 108.7 | F575 P576 M615 I623 H651 F652 V654 | F575-Y625 HydrophobicContact CB-CE1 3.81Å; F575-Y625 HydrophobicContact CB-CE2 3.98Å; F575-Y625 VanDerWaalsContact CB-CZ 3.42Å; F575-Y625 VanDerWaalsContact CB-OH 3.26Å; F575-Y625 WeakPolarHBondContact CB-OH 3.49Å; F575-Y625 AromaticContact CD1-CD1 3.72Å; F575-Y625 HydrophobicContact CD1-CD1 3.72Å; F575-Y625 AromaticContact CD1-CD2 3.75Å; F575-Y625 HydrophobicContact CD1-CD2 3.75Å; F575-Y625 AromaticContact CD1-CE1 3.68Å; F575-Y625 HydrophobicContact CD1-CE1 3.68Å; F575-Y625 AromaticContact CD1-CE2 3.72Å; F575-Y625 HydrophobicContact CD1-CE2 3.72Å; F575-Y625 AromaticContact CD1-CG 3.76Å; F575-Y625 HydrophobicContact CD1-CG 3.76Å; F575-Y625 AromaticContact CD1-CZ 3.71Å; F575-Y625 HydrophobicContact CE1-CD1 4.36Å; F575-Y625 HydrophobicContact CE1-CD2 4.01Å; F575-Y625 HydrophobicContact CE1-CE2 4.36Å; F575-Y625 HydrophobicContact CE1-CG 4.02Å; F575-Y625 HydrophobicContact CG-CD2 4.35Å; F575-Y625 HydrophobicContact CG-CE1 4.14Å; F575-Y625 AromaticContact CG-CE2 3.88Å; F575-Y625 HydrophobicContact CG-CE2 3.88Å; F575-Y625 AromaticContact CG-CZ 3.79Å; P576-Y625 PolarHBondContact O-OH 3.49Å; M615-Y625 HydrophobicContact CG-CD1 3.84Å; M615-Y625 HydrophobicContact CG-CE1 3.29Å; M615-Y625 HydrophobicContact SD-CD1 4Å; M615-Y625 HydrophobicContact SD-CD2 4.41Å; M615-Y625 HydrophobicContact SD-CE1 3.38Å; M615-Y625 WeakPolarHBondContact SD-CE1 3.38Å; M615-Y625 HydrophobicContact SD-CE2 3.85Å; M615-Y625 HydrophobicContact SD-CG 4.48Å; M615-Y625 PolarHBondContact SD-OH 3.2Å; M615-Y625 VanDerWaalsContact SD-OH 3.39Å; I623-Y625 HydrophobicContact CB-CE2 4.34Å; I623-Y625 HydrophobicContact CG2-CD2 3.96Å; I623-Y625 HydrophobicContact CG2-CE2 3.39Å; Y625-H651 WeakPolarHBondContact O-CA 3.45Å; Y625-F652 PolarHBondContact N-O 3.32Å; Y625-F652 PolarHBondContact O-N 3.09Å; Y625-V654 HydrophobicContact CD2-CG2 3.56Å; Y625-V654 HydrophobicContact CE2-CB 4.45Å; Y625-V654 HydrophobicContact CE2-CG2 3.87Å |
| 626 | S | 45.6 | Very low | 33.7 | Very low | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.014 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | S614 T649 Y650 | S614-S626 PolarHBondContact N-O 2.89Å; S614-S626 VanDerWaalsContact N-O 3.08Å; S614-S626 PolarHBondContact O-N 2.84Å; S626-T649 WeakPolarHBondContact OG-CB 3.27Å; S626-T649 WeakPolarHBondContact OG-CG2 3.23Å; S626-Y650 CarbonylContact C-O 3.57Å; S626-Y650 VanDerWaalsContact CA-O 3.27Å; S626-Y650 WeakPolarHBondContact CA-O 3.13Å |
| 627 | M | 37.5 | Very low | 33 | Very low | 8 Ų | 8 | 85.3 Ų | 85.3 | 4% | 0.039 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126 | 168.9 | -74.4 | -88.4 | 71.8 | 0 | 0 | 110.7 | K611 S612 Y613 Y650 F652 | K611-M627 HydrophobicContact CB-CE 3.99Å; K611-M627 HydrophobicContact CB-SD 3.89Å; K611-M627 HydrophobicContact CD-SD 3.64Å; K611-M627 HydrophobicContact CG-SD 4.36Å; S612-M627 VanDerWaalsContact O-CE 3.28Å; S612-M627 WeakPolarHBondContact O-CE 3.17Å; Y613-M627 HydrophobicContact CD1-CE 2.97Å; Y613-M627 HydrophobicContact CD1-SD 3.88Å; Y613-M627 HydrophobicContact CD2-CE 4.44Å; Y613-M627 HydrophobicContact CE1-CE 3.41Å; Y613-M627 VanDerWaalsContact CE1-CE 3.41Å; Y613-M627 HydrophobicContact CE1-SD 3.85Å; Y613-M627 HydrophobicContact CG-CE 3.52Å; M627-Y650 PolarHBondContact N-O 3.06Å; M627-Y650 PolarHBondContact O-N 3.41Å; M627-F652 HydrophobicContact CB-CE2 4.17Å; M627-F652 HydrophobicContact CG-CD2 4.28Å; M627-F652 HydrophobicContact CG-CE2 3.43Å; M627-F652 VanDerWaalsContact CG-CE2 3.43Å; M627-F652 HydrophobicContact CG-CZ 4.21Å |
| 628 | H | 39.9 | Very low | 32.7 | Very low | 67 Ų | 67 | 82 Ų | 82 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.6 | 173.4 | -73.1 | -83.2 | 0 | 0 | 0 | 112.3 | S614 | S614-H628 PolarHBondContact OG-NE2 3.47Å; S614-H628 VanDerWaalsContact OG-NE2 3.14Å |
| 629 | K | 33.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 90 Ų | 90 | 46% | 0.457 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 143.1 | 178.1 | -98 | -168.6 | 178.7 | 174.1 | 0 | 113.9 | D648 | K629-D648 HydrophobicContact CD-CB 3.63Å; K629-D648 WeakPolarHBondContact CD-OD2 3.42Å; K629-D648 VanDerWaalsContact CE-OD2 3.3Å; K629-D648 WeakPolarHBondContact CE-OD2 3.43Å; K629-D648 HydrophobicContact CG-CB 4.14Å; K629-D648 IonicContact NZ-OD1 2.62Å; K629-D648 PolarHBondContact NZ-OD1 2.98Å; K629-D648 IonicContact NZ-OD2 3.78Å; K629-D648 PolarHBondContact NZ-OD2 2.75Å |
| 630 | L | 25.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 92.4 Ų | 92.4 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | trans | -153.8 | 90 | 148.3 | -98.5 | 158.1 | 0 | 0 | 0 | 108.6 | ||||
| 631 | L | 26.8 | Very low | 30.6 | Very low | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | trans | -148.6 | 110.5 | 173.1 | -100.6 | 153.5 | 0 | 0 | 0 | 109.1 | K608 | K608-L631 HydrophobicContact CB-CD2 4.43Å; K608-L631 HydrophobicContact CD-CD2 3.7Å; K608-L631 HydrophobicContact CD-CG 4.46Å; K608-L631 HydrophobicContact CG-CD2 4.15Å | ||
| 632 | P | 25 | Very low | 29.8 | Very low | 86 Ų | 86 | 99.2 Ų | 99.2 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | trans | -88.9 | 127.3 | 153.2 | 32.5 | -24.3 | 0 | 0 | 0 | 107.3 | K608 | K608-P632 PolarHBondContact NZ-O 3.31Š| ||
| 633 | F | 22.4 | Very low | 29.3 | Very low | 180 Ų | 180 | 104.9 Ų | 104.9 | 79% | 0.789 | 52% | 0.522 | S | S | * | . | trans | 144.7 | 128.1 | 154.8 | -74.6 | -62.4 | 0 | 0 | 0 | 112.6 | ||||
| 634 | S | 22.4 | Very low | 28.8 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 86% | 0.86 | 56% | 0.561 | S | S | * | * | trans | 78 | 104.7 | 171.4 | 80.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 635 | S | 22.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | trans | -56.5 | 147.5 | 166.7 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 636 | N | 23.5 | Very low | 27.3 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | trans | 103.3 | 12.3 | 155.1 | -57 | -21.8 | 0 | 0 | 0 | 120.5 | ||||
| 637 | I | 23.2 | Very low | 26.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -125.4 | 114.2 | 174.4 | -57.8 | 178.2 | 0 | 0 | 0 | 110.4 | ||
| 638 | L | 23 | Very low | 26.4 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | 80.4 | 77.5 | 170.4 | -61.8 | 143.3 | 0 | 0 | 0 | 117.7 | L600 L640 | L600-L638 HydrophobicContact CD1-CD1 3.3Å; L600-L638 HydrophobicContact CD2-CD1 3.55Å; L600-L638 HydrophobicContact CG-CD1 3.99Å; L638-L640 HydrophobicContact CD2-CD1 4.36Å; L638-L640 PolarHBondContact O-N 3.14Å | ||
| 639 | R | 20.5 | Very low | 26 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | trans | -71.4 | 107.9 | 143.8 | -86.3 | 179.4 | 173.6 | 173.7 | -2.1 | 107.8 | ||||
| 640 | L | 21.6 | Very low | 26.2 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 55% | 0.55 | 68% | 0.68 | S | S | . | * | trans | -109.9 | 121.3 | 155.3 | -92.1 | 156.8 | 0 | 0 | 0 | 107.1 | L638 D642 Y672 | L638-L640 HydrophobicContact CD2-CD1 4.36Å; L638-L640 PolarHBondContact O-N 3.14Å; L640-D642 PolarHBondContact O-N 3.24Å; L640-Y672 VanDerWaalsContact CD1-OH 3.28Å; L640-Y672 WeakPolarHBondContact CD1-OH 3.16Å; L640-Y672 HydrophobicContact CD2-CE2 4.3Å; L640-Y672 VanDerWaalsContact CD2-OH 3.22Å; L640-Y672 WeakPolarHBondContact CD2-OH 3.4Å | ||
| 641 | Y | 21.4 | Very low | 27 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -58.9 | 119.2 | -178.4 | -100.7 | -115.3 | 0 | 0 | 0 | 110.4 | ||||
| 642 | D | 24.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | -143 | 132.4 | 134.5 | -148.8 | -15 | 0 | 0 | 0 | 109.8 | L640 H644 | L640-D642 PolarHBondContact O-N 3.24Å; D642-H644 PolarHBondContact O-N 2.93Å; D642-H644 VanDerWaalsContact O-N 3.13Å | ||
| 643 | K | 27.2 | Very low | 28.6 | Very low | 170 Ų | 170 | 123 Ų | 123 | 74% | 0.739 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -5.3 | -152.7 | -142.6 | 175.3 | -176.6 | -179.1 | 0 | 113.9 | ||
| 644 | H | 30.9 | Very low | 29.7 | Very low | 182 Ų | 182 | 114.6 Ų | 114.6 | 84% | 0.843 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.3 | 74.8 | -179.1 | -74.9 | -77.5 | 0 | 0 | 0 | 112.4 | D642 | D642-H644 PolarHBondContact O-N 2.93Å; D642-H644 VanDerWaalsContact O-N 3.13Å |
| 645 | S | 28.2 | Very low | 30.6 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 71% | 0.713 | 56% | 0.561 | S | S | * | * | trans | -162.2 | 131.8 | 151.4 | -170 | 0 | 0 | 0 | 0 | 111.4 | N647 | S645-N647 VanDerWaalsContact C-N 3.3Å; S645-N647 PolarHBondContact O-N 2.77Å | ||
| 646 | L | 28.9 | Very low | 31.4 | Very low | 172 Ų | 172 | 111.3 Ų | 111.3 | 90% | 0.901 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -85.5 | 17.5 | -170.5 | -109.6 | 116.8 | 0 | 0 | 0 | 114.6 | ||
| 647 | N | 30.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | trans | -136.5 | 107.8 | -178.9 | -77.8 | -28.4 | 0 | 0 | 0 | 110.4 | S645 T649 | S645-N647 VanDerWaalsContact C-N 3.3Å; S645-N647 PolarHBondContact O-N 2.77Å; N647-T649 PolarHBondContact O-N 3.36Å; N647-T649 VanDerWaalsContact O-N 3.09Å | ||
| 648 | D | 33.6 | Very low | 32.4 | Very low | 95 Ų | 95 | 108.7 Ų | 108.7 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | trans | -66.9 | 110.1 | 171.1 | -50.9 | -112.3 | 0 | 0 | 0 | 110.1 | K629 | K629-D648 HydrophobicContact CD-CB 3.63Å; K629-D648 WeakPolarHBondContact CD-OD2 3.42Å; K629-D648 VanDerWaalsContact CE-OD2 3.3Å; K629-D648 WeakPolarHBondContact CE-OD2 3.43Å; K629-D648 HydrophobicContact CG-CB 4.14Å; K629-D648 IonicContact NZ-OD1 2.62Å; K629-D648 PolarHBondContact NZ-OD1 2.98Å; K629-D648 IonicContact NZ-OD2 3.78Å; K629-D648 PolarHBondContact NZ-OD2 2.75Å | ||
| 649 | T | 32.3 | Very low | 32.6 | Very low | 50 Ų | 50 | 112 Ų | 112 | 31% | 0.307 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126 | 175.6 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | S626 N647 H651 | S626-T649 WeakPolarHBondContact OG-CB 3.27Å; S626-T649 WeakPolarHBondContact OG-CG2 3.23Å; N647-T649 PolarHBondContact O-N 3.36Å; N647-T649 VanDerWaalsContact O-N 3.09Å; T649-H651 PolarHBondContact OG1-NE2 3.44Å |
| 650 | Y | 37.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137.4 | 166.5 | -62.5 | -91.3 | 0 | 0 | 0 | 108.6 | S626 M627 | S626-Y650 CarbonylContact C-O 3.57Å; S626-Y650 VanDerWaalsContact CA-O 3.27Å; S626-Y650 WeakPolarHBondContact CA-O 3.13Å; M627-Y650 PolarHBondContact N-O 3.06Å; M627-Y650 PolarHBondContact O-N 3.41Å |
| 651 | H | 42.1 | Very low | 33 | Very low | 54 Ų | 54 | 111.8 Ų | 111.8 | 25% | 0.25 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 123 | -175.5 | -66.1 | -63.7 | 0 | 0 | 0 | 110.3 | L624 Y625 T649 Y673 | L624-H651 HydrophobicContact CD2-CB 3.68Å; L624-H651 HydrophobicContact CG-CB 4.37Å; Y625-H651 WeakPolarHBondContact O-CA 3.45Å; T649-H651 PolarHBondContact OG1-NE2 3.44Å; H651-Y673 WeakPolarHBondContact CB-OH 3.17Å |
| 652 | F | 43 | Very low | 33.3 | Very low | 26 Ų | 26 | 106.8 Ų | 106.8 | 11% | 0.114 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.6 | 171.2 | -57.1 | -90.9 | 0 | 0 | 0 | 108.7 | L555 V591 L593 L624 Y625 M627 | L555-F652 HydrophobicContact CD2-CZ 4.33Å; V591-F652 HydrophobicContact CG1-CD1 4.43Å; L593-F652 HydrophobicContact CD2-CD1 3.93Å; L593-F652 HydrophobicContact CD2-CE1 3.73Å; L624-F652 WeakPolarHBondContact CA-O 3.19Å; Y625-F652 PolarHBondContact N-O 3.32Å; Y625-F652 PolarHBondContact O-N 3.09Å; M627-F652 HydrophobicContact CB-CE2 4.17Å; M627-F652 HydrophobicContact CG-CD2 4.28Å; M627-F652 HydrophobicContact CG-CE2 3.43Å; M627-F652 VanDerWaalsContact CG-CE2 3.43Å; M627-F652 HydrophobicContact CG-CZ 4.21Å |
| 653 | I | 43.6 | Very low | 33.4 | Very low | 17 Ų | 17 | 106.2 Ų | 106.2 | 9% | 0.087 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.2 | 174.9 | -75.4 | 167.3 | 0 | 0 | 0 | 109 | L622 L624 Y673 L678 | L622-I653 HydrophobicContact CD2-CG2 3.25Å; L624-I653 HydrophobicContact CD1-CG1 3.78Å; I653-Y673 HydrophobicContact CD1-CD1 3.3Å; I653-Y673 HydrophobicContact CD1-CD2 4.14Å; I653-Y673 HydrophobicContact CD1-CE1 3.33Å; I653-Y673 HydrophobicContact CD1-CE2 4.17Å; I653-Y673 HydrophobicContact CD1-CG 3.71Å; I653-Y673 HydrophobicContact CG1-CE1 4.25Å; I653-L678 HydrophobicContact CD1-CD2 4.2Å |
| 654 | V | 45.7 | Very low | 33.2 | Very low | 2 Ų | 2 | 105 Ų | 105 | 1% | 0.012 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 120.6 | 175.6 | -159.4 | 0 | 0 | 0 | 0 | 111 | L589 L622 I623 Y625 | L589-V654 HydrophobicContact CB-CG1 3.22Å; L589-V654 HydrophobicContact CD1-CB 4.23Å; L589-V654 HydrophobicContact CD1-CG1 3.2Å; L589-V654 HydrophobicContact CD2-CG1 3.99Å; L589-V654 HydrophobicContact CG-CG1 3.57Å; L622-V654 WeakPolarHBondContact CA-O 3.3Å; I623-V654 HydrophobicContact CB-CB 4.46Å; I623-V654 PolarHBondContact N-O 2.76Å; I623-V654 WeakPolarHBondContact O-CA 3.01Å; I623-V654 VanDerWaalsContact O-CB 3.28Å; I623-V654 WeakPolarHBondContact O-CB 3.14Å; I623-V654 PolarHBondContact O-N 2.82Å; Y625-V654 HydrophobicContact CD2-CG2 3.56Å; Y625-V654 HydrophobicContact CE2-CB 4.45Å; Y625-V654 HydrophobicContact CE2-CG2 3.87Å |
| 655 | H | 40.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 102.8 Ų | 102.8 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.4 | -174.7 | -143.7 | -76.6 | 0 | 0 | 0 | 110.5 | ||
| 656 | N | 39.4 | Very low | 33.3 | Very low | 51 Ų | 51 | 101.4 Ų | 101.4 | 27% | 0.273 | 53% | 0.526 | S | S | . | . | trans | -117 | 142.8 | 176.6 | -162 | -2.3 | 0 | 0 | 0 | 111 | Q621 | Q621-N656 PolarHBondContact O-N 3.11Š| ||
| 657 | K | 38.1 | Very low | 33.3 | Very low | 140 Ų | 140 | 101.2 Ų | 101.2 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | trans | -101.8 | 135.3 | -179.5 | -76.8 | 177.2 | 179 | 164 | 0 | 111 | ||||
| 658 | S | 27.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 103 Ų | 103 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | trans | 66.1 | 108.3 | 160 | 53.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 659 | Q | 27.8 | Very low | 33.6 | Very low | 161 Ų | 161 | 101.7 Ų | 101.7 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | trans | -178.3 | 145.6 | 132.8 | -100.1 | 176.1 | 11.9 | 0 | 0 | 110.7 | K620 | K620-Q659 HydrophobicContact CD-CB 4.29Å; K620-Q659 WeakPolarHBondContact CD-O 3.49Å | ||
| 660 | K | 25.8 | Very low | 33.6 | Very low | 199 Ų | 199 | 102.6 Ų | 102.6 | 87% | 0.865 | 52% | 0.522 | S | S | * | . | trans | -74.4 | 137.5 | 178.7 | -86 | 177.4 | 171.7 | 177.1 | 0 | 112.4 | K620 | K620-K660 PolarHBondContact NZ-O 2.87Š| ||
| 661 | L | 25.8 | Very low | 33.6 | Very low | 140 Ų | 140 | 101.7 Ų | 101.7 | 73% | 0.733 | 53% | 0.531 | S | S | * | . | trans | -169.2 | 165.4 | 154.2 | -126.3 | 88.5 | 0 | 0 | 0 | 108.8 | K620 | K620-L661 HydrophobicContact CD-CB 4.19Š| ||
| 662 | P | 27.9 | Very low | 33.5 | Very low | 108 Ų | 108 | 104.4 Ų | 104.4 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | trans | -77.3 | 161.1 | -162 | 30.9 | -33.5 | 0 | 0 | 0 | 115.3 | ||||
| 663 | T | 24.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 105.4 Ų | 105.4 | 87% | 0.865 | 54% | 0.543 | S | S | * | . | trans | -60.9 | 123.9 | -169.8 | 45 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 664 | I | 24.4 | Very low | 33.3 | Very low | 144 Ų | 144 | 111.8 Ų | 111.8 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | trans | -115.1 | 140.2 | 161.2 | -65.7 | 171.5 | 0 | 0 | 0 | 107.9 | L666 | I664-L666 PolarHBondContact O-N 3Š| ||
| 665 | D | 29.3 | Very low | 33.4 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | trans | -65.5 | 117.8 | -173 | -163.6 | -5.9 | 0 | 0 | 0 | 112.5 | ||||
| 666 | L | 30.2 | Very low | 33.8 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 39% | 0.387 | 60% | 0.598 | S | S | . | * | trans | -103.3 | 13 | -164.4 | -105.5 | 139.2 | 0 | 0 | 0 | 114 | I664 N668 | I664-L666 PolarHBondContact O-N 3Å; L666-N668 PolarHBondContact O-N 2.96Å | ||
| 667 | K | 30.1 | Very low | 34.6 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 73% | 0.726 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -23.5 | -165.3 | -83.5 | -178.5 | 175.6 | 177.1 | 0 | 116.8 | ||
| 668 | N | 34.4 | Very low | 35.7 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -24.2 | -170.1 | -78.2 | -2.4 | 0 | 0 | 0 | 116.5 | L666 | L666-N668 PolarHBondContact O-N 2.96Š|
| 669 | I | 34.4 | Very low | 37.6 | Very low | 68 Ų | 68 | 112 Ų | 112 | 35% | 0.349 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | -29.7 | 174.4 | -63.8 | -177.5 | 0 | 0 | 0 | 111 | H618 S671 Y672 Y673 | H618-I669 WeakPolarHBondContact CE1-CD1 3.28Å; H618-I669 VanDerWaalsContact NE2-CD1 3.25Å; H618-I669 WeakPolarHBondContact NE2-CD1 3.19Å; I669-S671 PolarHBondContact O-N 3.13Å; I669-Y672 PolarHBondContact O-N 3.38Å; I669-Y673 HydrophobicContact CG2-CD2 4.21Å |
| 670 | N | 32.3 | Very low | 39.7 | Very low | 69 Ų | 69 | 107.6 Ų | 107.6 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -23.2 | 180 | -85.5 | -2.2 | 0 | 0 | 0 | 113.5 | H674 | N670-H674 WeakPolarHBondContact O-CB 3.37Å; N670-H674 PolarHBondContact O-CD2 2.84Å; N670-H674 VanDerWaalsContact O-CD2 3.24Å; N670-H674 PolarHBondContact O-N 3.44Å |
| 671 | S | 38.4 | Very low | 42.2 | Very low | 81 Ų | 81 | 98.2 Ų | 98.2 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.6 | -35.7 | -178.6 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | I669 | I669-S671 PolarHBondContact O-N 3.13Å |
| 672 | Y | 40.2 | Very low | 44.9 | Very low | 111 Ų | 111 | 95.4 Ų | 95.4 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -80.7 | -36.7 | -175.5 | -166.6 | -95.7 | 0 | 0 | 0 | 113 | L640 I669 | L640-Y672 VanDerWaalsContact CD1-OH 3.28Å; L640-Y672 WeakPolarHBondContact CD1-OH 3.16Å; L640-Y672 HydrophobicContact CD2-CE2 4.3Å; L640-Y672 VanDerWaalsContact CD2-OH 3.22Å; L640-Y672 WeakPolarHBondContact CD2-OH 3.4Å; I669-Y672 PolarHBondContact O-N 3.38Å |
| 673 | Y | 39.9 | Very low | 47.3 | Very low | 46 Ų | 46 | 91.1 Ų | 91.1 | 18% | 0.18 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -86.8 | -23.2 | -177.2 | -77.3 | -79.3 | 0 | 0 | 0 | 114.5 | T594 H651 I653 I669 E675 Q676 L678 | T594-Y673 HydrophobicContact CG2-CD1 4.05Å; T594-Y673 HydrophobicContact CG2-CE1 3.6Å; H651-Y673 WeakPolarHBondContact CB-OH 3.17Å; I653-Y673 HydrophobicContact CD1-CD1 3.3Å; I653-Y673 HydrophobicContact CD1-CD2 4.14Å; I653-Y673 HydrophobicContact CD1-CE1 3.33Å; I653-Y673 HydrophobicContact CD1-CE2 4.17Å; I653-Y673 HydrophobicContact CD1-CG 3.71Å; I653-Y673 HydrophobicContact CG1-CE1 4.25Å; I669-Y673 HydrophobicContact CG2-CD2 4.21Å; Y673-E675 PolarHBondContact O-N 3.16Å; Y673-Q676 PolarHBondContact O-N 3.04Å; Y673-L678 HydrophobicContact CD1-CD2 4.44Å |
| 674 | H | 41.9 | Very low | 49.8 | Very low | 151 Ų | 151 | 88.6 Ų | 88.6 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.2 | 177.6 | -95.4 | -71.2 | 0 | 0 | 0 | 113.6 | N670 | N670-H674 WeakPolarHBondContact O-CB 3.37Å; N670-H674 PolarHBondContact O-CD2 2.84Å; N670-H674 VanDerWaalsContact O-CD2 3.24Å; N670-H674 PolarHBondContact O-N 3.44Å |
| 675 | E | 48.8 | Very low | 52.3 | Low | 172 Ų | 172 | 85.6 Ų | 85.6 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13 | 179.9 | -65.6 | -167.9 | 174.5 | 0 | 0 | 114.2 | Y673 | Y673-E675 PolarHBondContact O-N 3.16Š|
| 676 | Q | 49.2 | Very low | 54 | Low | 50 Ų | 50 | 86 Ų | 86 | 23% | 0.234 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -105.2 | 122.4 | -177.4 | -67.9 | -106.8 | -44.3 | 0 | 0 | 111 | N596 Y673 L678 | N596-Q676 PolarHBondContact ND2-NE2 3.49Å; N596-Q676 PolarHBondContact ND2-OE1 2.96Å; Y673-Q676 PolarHBondContact O-N 3.04Å; Q676-L678 PolarHBondContact O-N 3.4Å |
| 677 | P | 55.3 | Low | 55.8 | Low | 75 Ų | 75 | 87.2 Ų | 87.2 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | trans | -60.9 | 127.8 | 171.6 | 23.7 | -31.7 | 0 | 0 | 0 | 110.6 | Q595 | Q595-P677 HydrophobicContact CB-CG 4.09Å; Q595-P677 PolarHBondContact N-O 3.47Å; Q595-P677 VanDerWaalsContact N-O 3.17Å | ||
| 678 | L | 60.8 | Low | 57.6 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 136.5 | 173.6 | -66.6 | 175.3 | 0 | 0 | 0 | 109.6 | I592 T594 I653 Y673 Q676 | I592-L678 HydrophobicContact CG2-CB 3.78Å; I592-L678 HydrophobicContact CG2-CD1 4.27Å; I592-L678 HydrophobicContact CG2-CD2 4.01Å; I592-L678 HydrophobicContact CG2-CG 4.23Å; T594-L678 HydrophobicContact CG2-CD2 4.45Å; I653-L678 HydrophobicContact CD1-CD2 4.2Å; Y673-L678 HydrophobicContact CD1-CD2 4.44Å; Q676-L678 PolarHBondContact O-N 3.4Å |
| 679 | V | 67.2 | Low | 59.4 | Low | 33 Ų | 33 | 76.3 Ų | 76.3 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.8 | -177.3 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L593 Q595 Y598 | L593-V679 PolarHBondContact N-O 2.91Å; L593-V679 PolarHBondContact O-N 3.15Å; Q595-V679 HydrophobicContact CB-CG2 4.07Å; Q595-V679 HydrophobicContact CG-CG2 4.44Å; Y598-V679 HydrophobicContact CD2-CB 4.33Å; Y598-V679 HydrophobicContact CD2-CG1 3.61Å; Y598-V679 HydrophobicContact CE2-CG1 3.95Å; Y598-V679 HydrophobicContact CG-CB 4.49Å; Y598-V679 HydrophobicContact CG-CG1 4.03Å |
| 680 | H | 73.2 | Confident | 60.8 | Low | 68 Ų | 68 | 77 Ų | 77 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134 | 167.2 | -67 | -87.8 | 0 | 0 | 0 | 109.5 | F570 H682 | F570-H680 HydrophobicContact CD1-CB 3.59Å; F570-H680 HydrophobicContact CE1-CB 3.46Å; F570-H680 VanDerWaalsContact CE1-CB 3.46Å; F570-H680 AromaticContact CE1-CG 3.86Å; F570-H680 HydrophobicContact CG-CB 4.25Å; F570-H680 HydrophobicContact CZ-CB 4.09Å; F570-H680 AromaticContact CZ-CG 3.97Å; H680-H682 PolarHBondContact O-CD2 3.01Å |
| 681 | I | 78.3 | Confident | 62.5 | Low | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 120.6 | 175.1 | -47 | 170.4 | 0 | 0 | 0 | 107.7 | F551 F570 I571 L593 Y598 | F551-I681 HydrophobicContact CD2-CD1 4.32Å; F551-I681 HydrophobicContact CE1-CD1 4.09Å; F551-I681 HydrophobicContact CE2-CD1 3.59Å; F551-I681 HydrophobicContact CZ-CD1 3.47Å; F551-I681 VanDerWaalsContact CZ-CD1 3.47Å; F570-I681 CarbonylContact C-O 3.55Å; F570-I681 VanDerWaalsContact CA-O 3.27Å; F570-I681 WeakPolarHBondContact CA-O 3.22Å; I571-I681 HydrophobicContact CB-CB 4.31Å; I571-I681 HydrophobicContact CD1-CB 4.14Å; I571-I681 HydrophobicContact CD1-CG2 3.45Å; I571-I681 VanDerWaalsContact CD1-CG2 3.45Å; I571-I681 HydrophobicContact CG1-CB 4.22Å; I571-I681 HydrophobicContact CG1-CG2 3.95Å; I571-I681 PolarHBondContact N-O 3.29Å; L593-I681 HydrophobicContact CD1-CD1 3.75Å; L593-I681 HydrophobicContact CD1-CG1 4.38Å; L593-I681 HydrophobicContact CG-CD1 4.26Å; Y598-I681 HydrophobicContact CD2-CG1 4.35Å; Y598-I681 HydrophobicContact CE2-CG1 4.41Å |
| 682 | H | 82.8 | Confident | 63.9 | Low | 81 Ų | 81 | 74.1 Ų | 74.1 | 38% | 0.375 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 148 | -179.7 | -68.3 | -92.6 | 0 | 0 | 0 | 111.5 | C569 F570 H680 G697 | C569-H682 WeakPolarHBondContact O-CA 3.4Å; F570-H682 AromaticContact CD1-CE1 3.72Å; F570-H682 AromaticContact CD1-ND1 3.57Å; F570-H682 AromaticContact CE1-CE1 3.21Å; F570-H682 WeakPolarHBondContact CE1-CE1 3.41Å; F570-H682 AromaticContact CE1-ND1 3.56Å; F570-H682 AromaticContact CE1-NE2 3.75Å; H680-H682 PolarHBondContact O-CD2 3.01Å; H682-G697 WeakPolarHBondContact ND1-CA 3.39Å; H682-G697 PolarHBondContact ND1-O 3.11Å |
| 683 | L | 78 | Confident | 65 | Low | 18 Ų | 18 | 72.8 Ų | 72.8 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 150.8 | 163.3 | -63.3 | 174.5 | 0 | 0 | 0 | 109.5 | E539 C569 I571 R687 | E539-L683 HydrophobicContact CG-CD2 4.33Å; E539-L683 WeakPolarHBondContact OE1-CD2 3.39Å; C569-L683 PolarHBondContact O-N 3.45Å; I571-L683 HydrophobicContact CG1-CD2 3.98Å; L683-R687 HydrophobicContact CB-CB 4.06Å; L683-R687 HydrophobicContact CB-CG 4.26Å; L683-R687 HydrophobicContact CD1-CB 4.32Å |
| 684 | Q | 76.5 | Confident | 66.6 | Low | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 159.8 | 171.3 | -70.7 | 179.9 | -18.2 | 0 | 0 | 110.6 | R687 | Q684-R687 HydrophobicContact CB-CG 4.29Å; Q684-R687 WeakPolarHBondContact O-CB 3.46Å; Q684-R687 WeakPolarHBondContact O-CG 3.23Å; Q684-R687 PolarHBondContact O-N 3.44Å |
| 685 | D | 78.2 | Confident | 68.2 | Low | 80 Ų | 80 | 67.2 Ų | 67.2 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 151.1 | 177.6 | -70.5 | -15.1 | 0 | 0 | 0 | 111.5 | R687 C694 M695 A696 | D685-R687 PolarHBondContact O-N 3.01Å; D685-C694 CarbonylContact C-O 3.5Å; D685-M695 WeakPolarHBondContact OD1-CA 3.34Å; D685-A696 PolarHBondContact OD1-N 3.49Å |
| 686 | Y | 64.8 | Low | 69.6 | Low | 145 Ų | 145 | 63 Ų | 63 | 57% | 0.569 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 8 | -177.3 | -49.1 | -73.8 | 0 | 0 | 0 | 116.2 | Y693 C694 | Y686-Y693 HydrophobicContact CD1-CD2 4.06Å; Y686-Y693 HydrophobicContact CD1-CE2 4.31Å; Y686-Y693 HydrophobicContact CE1-CE2 4.43Å; Y686-C694 PolarHBondContact N-O 3.39Å |
| 687 | R | 67.4 | Low | 70.9 | Confident | 99 Ų | 99 | 61 Ų | 61 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | trans | -72.7 | 145.1 | 172.3 | -62.7 | -60.8 | -65.8 | -171.5 | -6.1 | 111.6 | E539 L683 Q684 D685 C689 Y693 C694 | E539-R687 VanDerWaalsContact CD-CZ 3.48Å; E539-R687 IonicContact OE1-CZ 3.26Å; E539-R687 IonicContact OE1-NE 3.67Å; E539-R687 PolarHBondContact OE1-NE 3.45Å; E539-R687 IonicContact OE1-NH2 2.75Å; E539-R687 PolarHBondContact OE1-NH2 3.13Å; E539-R687 IonicContact OE2-CZ 3.17Å; E539-R687 VanDerWaalsContact OE2-CZ 3.26Å; E539-R687 IonicContact OE2-NE 3.94Å; E539-R687 IonicContact OE2-NH1 3.15Å; E539-R687 IonicContact OE2-NH2 2.76Å; E539-R687 PolarHBondContact OE2-NH2 3.2Å; L683-R687 HydrophobicContact CB-CB 4.06Å; L683-R687 HydrophobicContact CB-CG 4.26Å; L683-R687 HydrophobicContact CD1-CB 4.32Å; Q684-R687 HydrophobicContact CB-CG 4.29Å; Q684-R687 WeakPolarHBondContact O-CB 3.46Å; Q684-R687 WeakPolarHBondContact O-CG 3.23Å; Q684-R687 PolarHBondContact O-N 3.44Å; D685-R687 PolarHBondContact O-N 3.01Å; R687-C689 PolarHBondContact O-N 3.24Å; R687-Y693 CarbonylContact O-C 3.49Å; R687-Y693 VanDerWaalsContact O-CA 3.25Å; R687-Y693 WeakPolarHBondContact O-CA 3.37Å; R687-C694 PolarHBondContact O-N 2.96Å | ||
| 688 | P | 67.8 | Low | 72.1 | Confident | 76 Ų | 76 | 65 Ų | 65 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 136 | 179.1 | 26.9 | -33.7 | 0 | 0 | 0 | 110.8 | G692 | P688-G692 WeakPolarHBondContact CA-O 3.47Å |
| 689 | C | 72.2 | Confident | 72.6 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 179.8 | 171.4 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | S568 R687 N691 G692 Y693 C699 | S568-C689 WeakPolarHBondContact OG-CB 3.41Å; R687-C689 PolarHBondContact O-N 3.24Å; C689-N691 VanDerWaalsContact C-N 3.27Å; C689-N691 PolarHBondContact O-N 3.36Å; C689-N691 VanDerWaalsContact O-N 3.1Å; C689-G692 PolarHBondContact N-O 2.9Å; C689-G692 PolarHBondContact O-N 2.84Å; C689-G692 PolarHBondContact SG-O 3.06Å; C689-Y693 VanDerWaalsContact SG-C 3.54Å; C689-Y693 PolarHBondContact SG-N 3.42Å; C689-C699 HydrophobicContact CB-CB 3.65Å; C689-C699 WeakPolarHBondContact CB-SG 3.44Å; C689-C699 WeakPolarHBondContact SG-CA 3.04Å; C689-C699 WeakPolarHBondContact SG-CB 3.27Å; C689-C699 CovalentContact SG-SG 2.02Å; C689-C699 PolarHBondContact SG-SG 2.88Å |
| 690 | L | 64.4 | Low | 73 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -40.8 | -169.9 | -168.9 | 69.2 | 0 | 0 | 0 | 113.8 | D563 V565 | D563-L690 VanDerWaalsContact O-CD2 3.27Å; D563-L690 WeakPolarHBondContact O-CD2 3.37Å; V565-L690 HydrophobicContact CG2-CD2 3.97Å |
| 691 | N | 66.6 | Low | 72.6 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 10.2 | -177 | -68 | -17 | 0 | 0 | 0 | 114.3 | C689 E701 S702 | C689-N691 VanDerWaalsContact C-N 3.27Å; C689-N691 PolarHBondContact O-N 3.36Å; C689-N691 VanDerWaalsContact O-N 3.1Å; N691-E701 HydrophobicContact CB-CG 4.05Å; N691-E701 WeakPolarHBondContact O-CA 3.37Å; N691-S702 PolarHBondContact O-N 2.74Å |
| 692 | G | 67.7 | Low | 71.4 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 18% | 0.175 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -124.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P688 C689 I700 | P688-G692 WeakPolarHBondContact CA-O 3.47Å; C689-G692 PolarHBondContact N-O 2.9Å; C689-G692 PolarHBondContact O-N 2.84Å; C689-G692 PolarHBondContact SG-O 3.06Å; G692-I700 CarbonylContact C-O 3.55Å; G692-I700 VanDerWaalsContact CA-O 3.25Å; G692-I700 WeakPolarHBondContact CA-O 3.45Å |
| 693 | Y | 65 | Low | 69.3 | Low | 83 Ų | 83 | 75.1 Ų | 75.1 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.7 | -178.4 | 62.6 | -86.3 | 0 | 0 | 0 | 112.6 | Y686 R687 C689 M695 I700 | Y686-Y693 HydrophobicContact CD1-CD2 4.06Å; Y686-Y693 HydrophobicContact CD1-CE2 4.31Å; Y686-Y693 HydrophobicContact CE1-CE2 4.43Å; R687-Y693 CarbonylContact O-C 3.49Å; R687-Y693 VanDerWaalsContact O-CA 3.25Å; R687-Y693 WeakPolarHBondContact O-CA 3.37Å; C689-Y693 VanDerWaalsContact SG-C 3.54Å; C689-Y693 PolarHBondContact SG-N 3.42Å; Y693-M695 HydrophobicContact CE2-CB 4.45Å; Y693-M695 HydrophobicContact CE2-SD 4.42Å; Y693-I700 HydrophobicContact CD2-CB 4.46Å; Y693-I700 HydrophobicContact CE1-CB 4.31Å; Y693-I700 HydrophobicContact CE1-CG2 4.13Å; Y693-I700 HydrophobicContact CE2-CB 4.09Å; Y693-I700 HydrophobicContact CE2-CD1 4.07Å; Y693-I700 HydrophobicContact CE2-CG2 4.38Å; Y693-I700 PolarHBondContact N-O 3.42Å; Y693-I700 PolarHBondContact O-N 3.37Å |
| 694 | C | 72.2 | Confident | 67.3 | Low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.5 | 177.2 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | C569 D685 Y686 R687 K698 | C569-C694 WeakPolarHBondContact CA-SG 3.46Å; C569-C694 HydrophobicContact CB-CB 3.92Å; C569-C694 WeakPolarHBondContact CB-SG 3.34Å; C569-C694 WeakPolarHBondContact SG-CA 3.27Å; C569-C694 WeakPolarHBondContact SG-CB 3.4Å; C569-C694 CovalentContact SG-SG 2.04Å; C569-C694 PolarHBondContact SG-SG 2.82Å; D685-C694 CarbonylContact C-O 3.5Å; Y686-C694 PolarHBondContact N-O 3.39Å; R687-C694 PolarHBondContact O-N 2.96Å; C694-K698 CarbonylContact C-O 3.5Å; C694-K698 WeakPolarHBondContact CA-O 3.28Å |
| 695 | M | 75.8 | Confident | 65.1 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 39% | 0.389 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 126.9 | 169 | -160.8 | 176.5 | 79.1 | 0 | 0 | 108.6 | D685 Y693 G697 K698 I700 | D685-M695 WeakPolarHBondContact OD1-CA 3.34Å; Y693-M695 HydrophobicContact CE2-CB 4.45Å; Y693-M695 HydrophobicContact CE2-SD 4.42Å; M695-G697 PolarHBondContact O-N 3.3Å; M695-K698 PolarHBondContact N-O 3.37Å; M695-K698 PolarHBondContact O-N 3.22Å; M695-K698 VanDerWaalsContact O-N 3.07Å; M695-I700 HydrophobicContact CB-CD1 3.47Å; M695-I700 VanDerWaalsContact CB-CD1 3.47Å; M695-I700 HydrophobicContact CB-CG1 4.16Å; M695-I700 HydrophobicContact CE-CD1 3.33Å; M695-I700 HydrophobicContact CG-CD1 4.21Å; M695-I700 HydrophobicContact SD-CD1 3.78Å |
| 696 | A | 79.2 | Confident | 62.5 | Low | 85 Ų | 85 | 90.4 Ų | 90.4 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 40.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D685 K698 | D685-A696 PolarHBondContact OD1-N 3.49Å; A696-K698 VanDerWaalsContact C-N 3.29Å; A696-K698 PolarHBondContact O-N 2.67Å |
| 697 | G | 75.1 | Confident | 60.7 | Low | 7 Ų | 7 | 90.9 Ų | 90.9 | 7% | 0.072 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 7.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | C569 H682 M695 | C569-G697 VanDerWaalsContact CB-O 3.26Å; C569-G697 WeakPolarHBondContact CB-O 3.34Å; H682-G697 WeakPolarHBondContact ND1-CA 3.39Å; H682-G697 PolarHBondContact ND1-O 3.11Å; M695-G697 PolarHBondContact O-N 3.3Å |
| 698 | K | 81.9 | Confident | 58.5 | Low | 158 Ų | 158 | 93 Ų | 93 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.1 | 177.7 | -66.4 | -176.5 | -179 | 179.5 | 0 | 111.9 | C694 M695 A696 I700 | C694-K698 CarbonylContact C-O 3.5Å; C694-K698 WeakPolarHBondContact CA-O 3.28Å; M695-K698 PolarHBondContact N-O 3.37Å; M695-K698 PolarHBondContact O-N 3.22Å; M695-K698 VanDerWaalsContact O-N 3.07Å; A696-K698 VanDerWaalsContact C-N 3.29Å; A696-K698 PolarHBondContact O-N 2.67Å; K698-I700 PolarHBondContact O-N 3.26Å |
| 699 | C | 70.2 | Confident | 56.3 | Low | 24 Ų | 24 | 101 Ų | 101 | 16% | 0.162 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 115.7 | 178.1 | -175.4 | 0 | 0 | 0 | 0 | 111 | V565 C569 C689 | V565-C699 HydrophobicContact CG1-CB 4.05Å; C569-C699 VanDerWaalsContact SG-CA 3.53Å; C569-C699 PolarHBondContact SG-N 3.19Å; C689-C699 HydrophobicContact CB-CB 3.65Å; C689-C699 WeakPolarHBondContact CB-SG 3.44Å; C689-C699 WeakPolarHBondContact SG-CA 3.04Å; C689-C699 WeakPolarHBondContact SG-CB 3.27Å; C689-C699 CovalentContact SG-SG 2.02Å; C689-C699 PolarHBondContact SG-SG 2.88Å |
| 700 | I | 76.2 | Confident | 54.1 | Low | 52 Ų | 52 | 108.7 Ų | 108.7 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.8 | 175.7 | -58.3 | -173 | 0 | 0 | 0 | 108.8 | G692 Y693 M695 K698 S702 | G692-I700 CarbonylContact C-O 3.55Å; G692-I700 VanDerWaalsContact CA-O 3.25Å; G692-I700 WeakPolarHBondContact CA-O 3.45Å; Y693-I700 HydrophobicContact CD2-CB 4.46Å; Y693-I700 HydrophobicContact CE1-CB 4.31Å; Y693-I700 HydrophobicContact CE1-CG2 4.13Å; Y693-I700 HydrophobicContact CE2-CB 4.09Å; Y693-I700 HydrophobicContact CE2-CD1 4.07Å; Y693-I700 HydrophobicContact CE2-CG2 4.38Å; Y693-I700 PolarHBondContact N-O 3.42Å; Y693-I700 PolarHBondContact O-N 3.37Å; M695-I700 HydrophobicContact CB-CD1 3.47Å; M695-I700 VanDerWaalsContact CB-CD1 3.47Å; M695-I700 HydrophobicContact CB-CG1 4.16Å; M695-I700 HydrophobicContact CE-CD1 3.33Å; M695-I700 HydrophobicContact CG-CD1 4.21Å; M695-I700 HydrophobicContact SD-CD1 3.78Å; K698-I700 PolarHBondContact O-N 3.26Å; I700-S702 PolarHBondContact O-N 2.97Å |
| 701 | E | 64.8 | Low | 52.1 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.2 | 125 | 178.9 | -70.6 | -164.6 | 154.6 | 0 | 0 | 111.6 | N691 | N691-E701 HydrophobicContact CB-CG 4.05Å; N691-E701 WeakPolarHBondContact O-CA 3.37Å |
| 702 | S | 53 | Low | 50 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 120.6 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | N691 I700 S704 | N691-S702 PolarHBondContact O-N 2.74Å; I700-S702 PolarHBondContact O-N 2.97Å; S702-S704 PolarHBondContact O-N 3.21Å |
| 703 | K | 39.2 | Very low | 48.1 | Very low | 218 Ų | 218 | 123.1 Ų | 123.1 | 95% | 0.948 | 60% | 0.597 | S | S | * | * | trans | -68.9 | 68.6 | 177.2 | -73.8 | -176 | 178.6 | 176.9 | 0 | 110.9 | ||||
| 704 | S | 36.3 | Very low | 46.2 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -106.3 | 124.4 | 163.3 | 116.4 | 0 | 0 | 0 | 0 | 107.9 | S702 R706 | S702-S704 PolarHBondContact O-N 3.21Å; S704-R706 PolarHBondContact O-N 2.91Å | ||
| 705 | K | 29.6 | Very low | 43.8 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 84% | 0.843 | 66% | 0.658 | S | S | * | * | trans | -53.9 | 120.4 | -163.6 | -68 | 170.3 | 175.5 | 173.8 | 0 | 113.1 | I707 | K705-I707 PolarHBondContact O-N 3.13Š| ||
| 706 | R | 24 | Very low | 41.4 | Very low | 220 Ų | 220 | 140.7 Ų | 140.7 | 83% | 0.83 | 68% | 0.681 | S | S | * | * | trans | -56.7 | 93.9 | 162 | -74.5 | 179.8 | 176.6 | -177.9 | 0.8 | 110.1 | S704 | S704-R706 PolarHBondContact O-N 2.91Š| ||
| 707 | I | 25.9 | Very low | 38.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | trans | -100.1 | 96 | 156.5 | -64.9 | 175.5 | 0 | 0 | 0 | 107.2 | K705 | K705-I707 PolarHBondContact O-N 3.13Š| ||
| 708 | L | 21.9 | Very low | 36.5 | Very low | 143 Ų | 143 | 150 Ų | 150 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | 0.8 | 110.5 | 154.7 | -122.3 | 69 | 0 | 0 | 0 | 116.5 | F710 | L708-F710 PolarHBondContact O-N 2.92Š| ||
| 709 | R | 20.5 | Very low | 34.2 | Very low | 243 Ų | 243 | 149.7 Ų | 149.7 | 92% | 0.917 | 72% | 0.718 | S | S | * | * | trans | -65.7 | 106.6 | 150.2 | -76.2 | 175.8 | 172.5 | 172.5 | -2.4 | 108.7 | ||||
| 710 | F | 26.2 | Very low | 32.6 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -153.7 | 144.7 | 150.3 | -94.5 | -79.1 | 0 | 0 | 0 | 107 | L708 | L708-F710 PolarHBondContact O-N 2.92Š| ||
| 711 | W | 23.7 | Very low | 31 | Very low | 233 Ų | 233 | 159.7 Ų | 159.7 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 94 | 82.4 | -178.5 | -49 | 102.8 | 0 | 0 | 0 | 116.4 | ||||
| 712 | T | 21.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 161.5 Ų | 161.5 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -51.2 | 162.6 | 145.3 | 31.4 | 0 | 0 | 0 | 0 | 112.3 | V714 | T712-V714 PolarHBondContact O-N 2.89Š| ||
| 713 | P | 28.1 | Very low | 30 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -84.3 | 106.8 | -139.7 | 31.7 | -33.3 | 0 | 0 | 0 | 114 | H715 | P713-H715 VanDerWaalsContact C-N 3.33Å; P713-H715 PolarHBondContact O-N 3.07Å | ||
| 714 | V | 25.4 | Very low | 30.6 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -90.9 | 77.9 | 156.5 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | T712 Y716 | T712-V714 PolarHBondContact O-N 2.89Å; V714-Y716 PolarHBondContact O-N 3.48Å | ||
| 715 | H | 21.3 | Very low | 31.4 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -93.1 | 76.2 | 171.2 | -153.6 | 67.4 | 0 | 0 | 0 | 108.4 | P713 | P713-H715 VanDerWaalsContact C-N 3.33Å; P713-H715 PolarHBondContact O-N 3.07Å | ||
| 716 | Y | 25.4 | Very low | 32.6 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | trans | -143.6 | 119.9 | 163 | -99.8 | -82.3 | 0 | 0 | 0 | 110.8 | V714 | V714-Y716 PolarHBondContact O-N 3.48Š| ||
| 717 | S | 24.9 | Very low | 34 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 72.1 | 104.6 | 148.8 | -160.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 718 | K | 26.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 78% | 0.778 | 69% | 0.688 | S | S | * | * | S | Bend | 22.5 | 124.8 | 128.9 | -94.8 | -179.9 | 174.5 | 178.4 | 0 | 118.3 | |||
| 719 | H | 34.5 | Very low | 38 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | trans | 60.6 | 90.6 | 156.1 | -62.2 | -76 | 0 | 0 | 0 | 117.4 | ||||
| 720 | K | 35.5 | Very low | 40.4 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | trans | -113.2 | 84.1 | 145.9 | -75.7 | -167.1 | 176.8 | -170.1 | 0 | 109.3 | ||||
| 721 | N | 42.7 | Very low | 42.8 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | trans | -51.8 | 134.9 | 158.6 | -93.2 | -15.6 | 0 | 0 | 0 | 108.3 | G723 T724 | N721-G723 PolarHBondContact O-N 3.15Å; N721-T724 PolarHBondContact O-N 2.86Å; N721-T724 PolarHBondContact O-OG1 3.27Å | ||
| 722 | F | 47 | Very low | 45.3 | Very low | 151 Ų | 151 | 124 Ų | 124 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -44.8 | -27.9 | 174.9 | -170.5 | -99.9 | 0 | 0 | 0 | 113.7 | T724 I725 A726 F733 | F722-T724 PolarHBondContact O-N 2.91Å; F722-I725 PolarHBondContact O-N 2.96Å; F722-A726 PolarHBondContact O-N 3.39Å; F722-A726 VanDerWaalsContact O-N 3.13Å; F722-F733 HydrophobicContact CE1-CZ 4.08Å; F722-F733 HydrophobicContact CZ-CE2 4.34Å; F722-F733 HydrophobicContact CZ-CZ 4.01Å |
| 723 | G | 49.6 | Very low | 47.7 | Very low | 48 Ų | 48 | 121.2 Ų | 121.2 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.3 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N721 A726 W727 | N721-G723 PolarHBondContact O-N 3.15Å; G723-A726 PolarHBondContact O-N 3.07Å; G723-W727 PolarHBondContact O-N 2.99Å |
| 724 | T | 52 | Low | 50.1 | Low | 66 Ų | 66 | 117.8 Ų | 117.8 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.7 | -35.8 | 178.5 | 24.2 | 0 | 0 | 0 | 0 | 112.1 | N721 F722 A726 W727 D728 | N721-T724 PolarHBondContact O-N 2.86Å; N721-T724 PolarHBondContact O-OG1 3.27Å; F722-T724 PolarHBondContact O-N 2.91Å; T724-A726 VanDerWaalsContact C-N 3.28Å; T724-A726 PolarHBondContact O-N 2.79Å; T724-W727 PolarHBondContact O-N 3.07Å; T724-W727 VanDerWaalsContact O-N 3.16Å; T724-D728 WeakPolarHBondContact O-CB 3.46Å; T724-D728 VanDerWaalsContact O-CG 3.25Å; T724-D728 PolarHBondContact O-N 3.38Å |
| 725 | I | 53.6 | Low | 52.6 | Low | 81 Ų | 81 | 115.1 Ų | 115.1 | 42% | 0.415 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -41.5 | 174.1 | -62.1 | 174.6 | 0 | 0 | 0 | 110.4 | F722 W727 N729 | F722-I725 PolarHBondContact O-N 2.96Å; I725-W727 VanDerWaalsContact C-N 3.34Å; I725-N729 WeakPolarHBondContact O-CB 3.5Å; I725-N729 PolarHBondContact O-N 2.92Å; I725-N729 VanDerWaalsContact O-N 3.11Å; I725-N729 PolarHBondContact O-ND2 3.48Å |
| 726 | A | 53.8 | Low | 55.4 | Low | 25 Ų | 25 | 111.6 Ų | 111.6 | 21% | 0.207 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -65.4 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F722 G723 T724 L730 F733 | F722-A726 PolarHBondContact O-N 3.39Å; F722-A726 VanDerWaalsContact O-N 3.13Å; G723-A726 PolarHBondContact O-N 3.07Å; T724-A726 VanDerWaalsContact C-N 3.28Å; T724-A726 PolarHBondContact O-N 2.79Å; A726-L730 WeakPolarHBondContact O-CA 3.31Å; A726-L730 PolarHBondContact O-N 2.91Å; A726-F733 HydrophobicContact CB-CD2 4.28Å; A726-F733 HydrophobicContact CB-CE2 4.28Å |
| 727 | W | 53.7 | Low | 57.8 | Low | 197 Ų | 197 | 105.1 Ų | 105.1 | 75% | 0.746 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.4 | -40.9 | 178.8 | -146.3 | -99.5 | 0 | 0 | 0 | 112.9 | G723 T724 I725 N729 L730 | G723-W727 PolarHBondContact O-N 2.99Å; T724-W727 PolarHBondContact O-N 3.07Å; T724-W727 VanDerWaalsContact O-N 3.16Å; I725-W727 VanDerWaalsContact C-N 3.34Å; W727-N729 VanDerWaalsContact C-N 3.3Å; W727-N729 PolarHBondContact O-N 3.01Å; W727-L730 HydrophobicContact CD2-CD1 4.37Å; W727-L730 HydrophobicContact CE3-CD1 4.45Å |
| 728 | D | 65.1 | Low | 60.4 | Low | 112 Ų | 112 | 103 Ų | 103 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -26.8 | -179.8 | -67.8 | -17.4 | 0 | 0 | 0 | 112 | T724 | T724-D728 WeakPolarHBondContact O-CB 3.46Å; T724-D728 VanDerWaalsContact O-CG 3.25Å; T724-D728 PolarHBondContact O-N 3.38Å |
| 729 | N | 66.2 | Low | 62.9 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 37.5 | -179.2 | -59.8 | -77.9 | 0 | 0 | 0 | 112 | I725 W727 V731 F732 F733 | I725-N729 WeakPolarHBondContact O-CB 3.5Å; I725-N729 PolarHBondContact O-N 2.92Å; I725-N729 VanDerWaalsContact O-N 3.11Å; I725-N729 PolarHBondContact O-ND2 3.48Å; W727-N729 VanDerWaalsContact C-N 3.3Å; W727-N729 PolarHBondContact O-N 3.01Å; N729-V731 PolarHBondContact O-N 2.86Å; N729-V731 VanDerWaalsContact O-N 3.15Å; N729-F732 HydrophobicContact CB-CB 4.17Å; N729-F732 PolarHBondContact O-N 3.46Å; N729-F733 PolarHBondContact O-N 3.43Å |
| 730 | L | 72.6 | Confident | 65.1 | Low | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.2 | -37.1 | -173.3 | -154.7 | 142.1 | 0 | 0 | 0 | 112.6 | A726 W727 F733 A734 | A726-L730 WeakPolarHBondContact O-CA 3.31Å; A726-L730 PolarHBondContact O-N 2.91Å; W727-L730 HydrophobicContact CD2-CD1 4.37Å; W727-L730 HydrophobicContact CE3-CD1 4.45Å; L730-F733 PolarHBondContact O-N 2.84Å; L730-A734 VanDerWaalsContact O-CB 3.28Å; L730-A734 WeakPolarHBondContact O-CB 3.39Å; L730-A734 PolarHBondContact O-N 3.4Å |
| 731 | V | 75.7 | Confident | 67.1 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 70% | 0.703 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -47.2 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | N729 F733 A734 V735 | N729-V731 PolarHBondContact O-N 2.86Å; N729-V731 VanDerWaalsContact O-N 3.15Å; V731-F733 VanDerWaalsContact C-N 3.31Å; V731-F733 PolarHBondContact O-N 3.31Å; V731-A734 PolarHBondContact O-N 2.9Å; V731-V735 VanDerWaalsContact O-CG2 3.29Å; V731-V735 WeakPolarHBondContact O-CG2 3.44Å; V731-V735 PolarHBondContact O-N 3.39Å |
| 732 | F | 76 | Confident | 68.8 | Low | 135 Ų | 135 | 94.7 Ų | 94.7 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 177.1 | 176.1 | -93.7 | 0 | 0 | 0 | 110.9 | N729 V735 F736 | N729-F732 HydrophobicContact CB-CB 4.17Å; N729-F732 PolarHBondContact O-N 3.46Å; F732-V735 PolarHBondContact O-N 3.31Å; F732-F736 HydrophobicContact CZ-CD2 4.44Å; F732-F736 WeakPolarHBondContact O-CB 3.43Å; F732-F736 PolarHBondContact O-N 3.2Å |
| 733 | F | 71.8 | Confident | 70.5 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | -179.8 | -130.3 | -86 | 0 | 0 | 0 | 112.2 | F722 A726 N729 L730 V731 F736 L737 | F722-F733 HydrophobicContact CE1-CZ 4.08Å; F722-F733 HydrophobicContact CZ-CE2 4.34Å; F722-F733 HydrophobicContact CZ-CZ 4.01Å; A726-F733 HydrophobicContact CB-CD2 4.28Å; A726-F733 HydrophobicContact CB-CE2 4.28Å; N729-F733 PolarHBondContact O-N 3.43Å; L730-F733 PolarHBondContact O-N 2.84Å; V731-F733 VanDerWaalsContact C-N 3.31Å; V731-F733 PolarHBondContact O-N 3.31Å; F733-F736 PolarHBondContact O-N 2.98Å; F733-L737 HydrophobicContact CD1-CD1 3.92Å; F733-L737 HydrophobicContact CE1-CD1 4.36Å; F733-L737 WeakPolarHBondContact O-CB 3.37Å; F733-L737 PolarHBondContact O-N 3.11Å |
| 734 | A | 77.8 | Confident | 72 | Confident | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L730 V731 F736 L737 S738 | L730-A734 VanDerWaalsContact O-CB 3.28Å; L730-A734 WeakPolarHBondContact O-CB 3.39Å; L730-A734 PolarHBondContact O-N 3.4Å; V731-A734 PolarHBondContact O-N 2.9Å; A734-F736 PolarHBondContact O-N 3.31Å; A734-L737 PolarHBondContact O-N 3.48Å; A734-S738 WeakPolarHBondContact O-CB 3.39Å; A734-S738 PolarHBondContact O-N 3.47Å; A734-S738 PolarHBondContact O-OG 3.15Å |
| 735 | V | 78.4 | Confident | 73.4 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V731 F732 S738 L739 | V731-V735 VanDerWaalsContact O-CG2 3.29Å; V731-V735 WeakPolarHBondContact O-CG2 3.44Å; V731-V735 PolarHBondContact O-N 3.39Å; F732-V735 PolarHBondContact O-N 3.31Å; V735-S738 PolarHBondContact O-N 2.98Å; V735-L739 HydrophobicContact CG1-CD1 3.7Å; V735-L739 HydrophobicContact CG1-CG 4.33Å; V735-L739 WeakPolarHBondContact O-CB 3.28Å; V735-L739 WeakPolarHBondContact O-CG 3.4Å; V735-L739 PolarHBondContact O-N 3.27Å |
| 736 | F | 79.9 | Confident | 74.7 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 45% | 0.447 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.1 | -175 | -93.6 | 0 | 0 | 0 | 111.8 | F732 F733 A734 L739 I740 | F732-F736 HydrophobicContact CZ-CD2 4.44Å; F732-F736 WeakPolarHBondContact O-CB 3.43Å; F732-F736 PolarHBondContact O-N 3.2Å; F733-F736 PolarHBondContact O-N 2.98Å; A734-F736 PolarHBondContact O-N 3.31Å; F736-L739 PolarHBondContact O-N 3.25Å; F736-I740 HydrophobicContact CD1-CD1 4.07Å; F736-I740 HydrophobicContact CD2-CD1 3.65Å; F736-I740 HydrophobicContact CE1-CD1 3.68Å; F736-I740 HydrophobicContact CE2-CD1 3.22Å; F736-I740 HydrophobicContact CG-CD1 4.06Å; F736-I740 HydrophobicContact CZ-CD1 3.24Å; F736-I740 WeakPolarHBondContact O-CB 3.34Å; F736-I740 PolarHBondContact O-N 3.09Å |
| 737 | L | 75.8 | Confident | 75.9 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.4 | -90.2 | 160 | 0 | 0 | 0 | 112.2 | F733 A734 V741 W742 | F733-L737 HydrophobicContact CD1-CD1 3.92Å; F733-L737 HydrophobicContact CE1-CD1 4.36Å; F733-L737 WeakPolarHBondContact O-CB 3.37Å; F733-L737 PolarHBondContact O-N 3.11Å; A734-L737 PolarHBondContact O-N 3.48Å; L737-V741 HydrophobicContact CD2-CB 4.41Å; L737-V741 HydrophobicContact CD2-CG2 3.94Å; L737-V741 WeakPolarHBondContact O-CA 3.33Å; L737-V741 VanDerWaalsContact O-CB 3.32Å; L737-V741 WeakPolarHBondContact O-CB 3.32Å; L737-V741 PolarHBondContact O-N 3.29Å; L737-W742 PolarHBondContact O-N 3.49Å; L737-W742 VanDerWaalsContact O-N 3.15Å |
| 738 | S | 80.8 | Confident | 77.2 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -61.7 | -48 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 112 | A734 V735 W742 I743 | A734-S738 WeakPolarHBondContact O-CB 3.39Å; A734-S738 PolarHBondContact O-N 3.47Å; A734-S738 PolarHBondContact O-OG 3.15Å; V735-S738 PolarHBondContact O-N 2.98Å; S738-W742 WeakPolarHBondContact O-CB 3.48Å; S738-W742 PolarHBondContact O-N 3.32Å; S738-I743 WeakPolarHBondContact O-CG1 3.46Å; S738-I743 PolarHBondContact O-N 3.42Å |
| 739 | L | 78.7 | Confident | 78 | Confident | 104 Ų | 104 | 87.8 Ų | 87.8 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -70.2 | -40.7 | -176.3 | -74.5 | 169.1 | 0 | 0 | 0 | 113.4 | V735 F736 I743 P744 | V735-L739 HydrophobicContact CG1-CD1 3.7Å; V735-L739 HydrophobicContact CG1-CG 4.33Å; V735-L739 WeakPolarHBondContact O-CB 3.28Å; V735-L739 WeakPolarHBondContact O-CG 3.4Å; V735-L739 PolarHBondContact O-N 3.27Å; F736-L739 PolarHBondContact O-N 3.25Å; L739-I743 HydrophobicContact CD2-CD1 3.85Å; L739-P744 WeakPolarHBondContact O-CD 3.29Å |
| 740 | I | 79.6 | Confident | 78.6 | Confident | 95 Ų | 95 | 86.8 Ų | 86.8 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | I | π-helix | trans | -94.4 | -31.9 | -171 | -66.2 | 172.2 | 0 | 0 | 0 | 112.4 | F736 P744 | F736-I740 HydrophobicContact CD1-CD1 4.07Å; F736-I740 HydrophobicContact CD2-CD1 3.65Å; F736-I740 HydrophobicContact CE1-CD1 3.68Å; F736-I740 HydrophobicContact CE2-CD1 3.22Å; F736-I740 HydrophobicContact CG-CD1 4.06Å; F736-I740 HydrophobicContact CZ-CD1 3.24Å; F736-I740 WeakPolarHBondContact O-CB 3.34Å; F736-I740 PolarHBondContact O-N 3.09Å; I740-P744 VanDerWaalsContact O-CG 3.31Å; I740-P744 WeakPolarHBondContact O-CG 3.39Å |
| 741 | V | 79.3 | Confident | 78.8 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 38% | 0.376 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -106.6 | -53.6 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | L737 L745 | L737-V741 HydrophobicContact CD2-CB 4.41Å; L737-V741 HydrophobicContact CD2-CG2 3.94Å; L737-V741 WeakPolarHBondContact O-CA 3.33Å; L737-V741 VanDerWaalsContact O-CB 3.32Å; L737-V741 WeakPolarHBondContact O-CB 3.32Å; L737-V741 PolarHBondContact O-N 3.29Å; V741-L745 HydrophobicContact CG1-CD1 3.82Å; V741-L745 WeakPolarHBondContact O-CB 3.36Å; V741-L745 WeakPolarHBondContact O-CD1 3.5Å; V741-L745 PolarHBondContact O-N 2.9Å |
| 742 | W | 77.6 | Confident | 78.9 | Confident | 184 Ų | 184 | 89 Ų | 89 | 70% | 0.697 | 48% | 0.482 | S | S | * | . | I | π-helix | trans | -74.3 | -48.4 | -169.2 | -119.7 | 75.8 | 0 | 0 | 0 | 113.4 | L737 S738 L745 S746 | L737-W742 PolarHBondContact O-N 3.49Å; L737-W742 VanDerWaalsContact O-N 3.15Å; S738-W742 WeakPolarHBondContact O-CB 3.48Å; S738-W742 PolarHBondContact O-N 3.32Å; W742-L745 PolarHBondContact O-N 3.32Å; W742-S746 PolarHBondContact O-N 3.21Å; W742-S746 PolarHBondContact O-OG 2.92Å |
| 743 | I | 82 | Confident | 78.8 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -46 | 179.5 | -67.6 | 174.9 | 0 | 0 | 0 | 111.9 | S738 L739 L745 S746 A747 | S738-I743 WeakPolarHBondContact O-CG1 3.46Å; S738-I743 PolarHBondContact O-N 3.42Å; L739-I743 HydrophobicContact CD2-CD1 3.85Å; I743-L745 PolarHBondContact O-N 2.89Å; I743-S746 PolarHBondContact O-N 3.15Å; I743-A747 WeakPolarHBondContact O-CB 3.46Å; I743-A747 PolarHBondContact O-N 3.3Å |
| 744 | P | 82.4 | Confident | 78.5 | Confident | 65 Ų | 65 | 94.7 Ų | 94.7 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 177.6 | -26 | 39 | 0 | 0 | 0 | 113.1 | L739 I740 A747 C748 | L739-P744 WeakPolarHBondContact O-CD 3.29Å; I740-P744 VanDerWaalsContact O-CG 3.31Å; I740-P744 WeakPolarHBondContact O-CG 3.39Å; P744-A747 PolarHBondContact O-N 2.95Å; P744-C748 WeakPolarHBondContact O-CB 3.45Å; P744-C748 PolarHBondContact O-N 3.39Å |
| 745 | L | 80.3 | Confident | 77.4 | Confident | 95 Ų | 95 | 101 Ų | 101 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.8 | -101.6 | 139 | 0 | 0 | 0 | 111.7 | V741 W742 I743 A747 C748 V749 | V741-L745 HydrophobicContact CG1-CD1 3.82Å; V741-L745 WeakPolarHBondContact O-CB 3.36Å; V741-L745 WeakPolarHBondContact O-CD1 3.5Å; V741-L745 PolarHBondContact O-N 2.9Å; W742-L745 PolarHBondContact O-N 3.32Å; I743-L745 PolarHBondContact O-N 2.89Å; L745-A747 VanDerWaalsContact C-N 3.35Å; L745-A747 PolarHBondContact O-N 2.89Å; L745-C748 WeakPolarHBondContact O-CB 3.37Å; L745-C748 PolarHBondContact O-N 3.38Å; L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.47Å |
| 746 | S | 81 | Confident | 76.2 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.5 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | W742 I743 C748 V749 A750 | W742-S746 PolarHBondContact O-N 3.21Å; W742-S746 PolarHBondContact O-OG 2.92Å; I743-S746 PolarHBondContact O-N 3.15Å; S746-C748 VanDerWaalsContact C-N 3.33Å; S746-C748 PolarHBondContact O-N 3.19Å; S746-V749 PolarHBondContact O-N 3.48Å; S746-A750 WeakPolarHBondContact O-CB 3.37Å; S746-A750 PolarHBondContact O-N 2.93Å |
| 747 | A | 80.4 | Confident | 74.7 | Confident | 60 Ų | 60 | 111.2 Ų | 111.2 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I743 P744 L745 A750 Y751 | I743-A747 WeakPolarHBondContact O-CB 3.46Å; I743-A747 PolarHBondContact O-N 3.3Å; P744-A747 PolarHBondContact O-N 2.95Å; L745-A747 VanDerWaalsContact C-N 3.35Å; L745-A747 PolarHBondContact O-N 2.89Å; A747-A750 PolarHBondContact O-N 3.44Å; A747-Y751 WeakPolarHBondContact O-CB 3.34Å; A747-Y751 PolarHBondContact O-N 2.88Å |
| 748 | C | 80.8 | Confident | 74.6 | Confident | 74 Ų | 74 | 112.5 Ų | 112.5 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -40.4 | 177.6 | -151.7 | 0 | 0 | 0 | 0 | 111.8 | P744 L745 S746 Y751 L752 | P744-C748 WeakPolarHBondContact O-CB 3.45Å; P744-C748 PolarHBondContact O-N 3.39Å; L745-C748 WeakPolarHBondContact O-CB 3.37Å; L745-C748 PolarHBondContact O-N 3.38Å; S746-C748 VanDerWaalsContact C-N 3.33Å; S746-C748 PolarHBondContact O-N 3.19Å; C748-Y751 PolarHBondContact O-N 3.04Å; C748-L752 VanDerWaalsContact O-CG 3.29Å; C748-L752 WeakPolarHBondContact O-CG 3.29Å; C748-L752 PolarHBondContact O-N 3.48Å |
| 749 | V | 81.8 | Confident | 74.3 | Confident | 79 Ų | 79 | 115.2 Ų | 115.2 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -42.3 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L745 S746 Y751 L752 N753 | L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.47Å; S746-V749 PolarHBondContact O-N 3.48Å; V749-Y751 VanDerWaalsContact C-N 3.31Å; V749-Y751 PolarHBondContact O-N 3.4Å; V749-L752 PolarHBondContact O-N 3.32Å; V749-N753 PolarHBondContact O-N 2.89Å |
| 750 | A | 77.8 | Confident | 74.1 | Confident | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.8 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S746 A747 N753 R754 | S746-A750 WeakPolarHBondContact O-CB 3.37Å; S746-A750 PolarHBondContact O-N 2.93Å; A747-A750 PolarHBondContact O-N 3.44Å; A750-N753 PolarHBondContact O-N 3.21Å; A750-R754 PolarHBondContact O-N 3.45Å; A750-R754 VanDerWaalsContact O-N 3.1Å |
| 751 | Y | 76.7 | Confident | 73.7 | Confident | 159 Ų | 159 | 117 Ų | 117 | 62% | 0.624 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.1 | -41.8 | 173.8 | -177 | -96.9 | 0 | 0 | 0 | 111.9 | A747 C748 V749 R754 Y755 | A747-Y751 WeakPolarHBondContact O-CB 3.34Å; A747-Y751 PolarHBondContact O-N 2.88Å; C748-Y751 PolarHBondContact O-N 3.04Å; V749-Y751 VanDerWaalsContact C-N 3.31Å; V749-Y751 PolarHBondContact O-N 3.4Å; Y751-R754 PolarHBondContact O-N 3.2Å; Y751-Y755 PolarHBondContact O-N 3.47Å |
| 752 | L | 78.9 | Confident | 73.4 | Confident | 100 Ų | 100 | 120.4 Ų | 120.4 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -38.8 | 176.9 | -72.1 | 168.3 | 0 | 0 | 0 | 112.7 | C748 V749 Y755 H756 | C748-L752 VanDerWaalsContact O-CG 3.29Å; C748-L752 WeakPolarHBondContact O-CG 3.29Å; C748-L752 PolarHBondContact O-N 3.48Å; V749-L752 PolarHBondContact O-N 3.32Å; L752-Y755 PolarHBondContact O-N 3.19Å; L752-H756 PolarHBondContact O-N 3.49Å |
| 753 | N | 73.6 | Confident | 73.1 | Confident | 107 Ų | 107 | 116.2 Ų | 116.2 | 57% | 0.572 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 175.5 | -93.4 | 8.3 | 0 | 0 | 0 | 112 | V749 A750 Y755 H756 E757 | V749-N753 PolarHBondContact O-N 2.89Å; A750-N753 PolarHBondContact O-N 3.21Å; N753-Y755 PolarHBondContact O-N 3.1Å; N753-H756 PolarHBondContact O-N 3.18Å; N753-E757 PolarHBondContact O-N 3.05Å |
| 754 | R | 64.1 | Low | 72.5 | Confident | 211 Ų | 211 | 117.5 Ų | 117.5 | 80% | 0.796 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.7 | -14.7 | 174.8 | -100.9 | -171.6 | 179.6 | -166.7 | 0.4 | 114.6 | A750 Y751 | A750-R754 PolarHBondContact O-N 3.45Å; A750-R754 VanDerWaalsContact O-N 3.1Å; Y751-R754 PolarHBondContact O-N 3.2Å |
| 755 | Y | 56.5 | Low | 71.7 | Confident | 179 Ų | 179 | 121.5 Ų | 121.5 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -90.9 | -14.3 | 175.4 | -151.5 | -89.8 | 0 | 0 | 0 | 112 | Y751 L752 N753 | Y751-Y755 PolarHBondContact O-N 3.47Å; L752-Y755 PolarHBondContact O-N 3.19Å; N753-Y755 PolarHBondContact O-N 3.1Å |
| 756 | H | 51.6 | Low | 71 | Confident | 169 Ų | 169 | 123.8 Ų | 123.8 | 78% | 0.782 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -103.8 | -13.2 | 179.9 | -95.4 | -69.8 | 0 | 0 | 0 | 114.1 | L752 N753 | L752-H756 PolarHBondContact O-N 3.49Å; N753-H756 PolarHBondContact O-N 3.18Å |
| 757 | E | 48.6 | Very low | 70.1 | Confident | 225 Ų | 225 | 129.2 Ų | 129.2 | 100% | 1.051 | 64% | 0.637 | S | S | * | * | trans | -89.9 | 0 | 157.4 | -72.2 | -179.4 | 169 | 0 | 0 | 109.9 | N753 | N753-E757 PolarHBondContact O-N 3.05Š|
Retrieved 757 of 757 residues in 1849.6 ms
(Link to these results)