| 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 | 59.8 | Low | 91.7 | Very high | 189 Ų | 189 | 63.7 Ų | 63.7 | 93% | 0.931 | 33% | 0.327 | S | S | * | . | 0 | -52.5 | 0 | -75.6 | -171.2 | -168.1 | 0 | 0 | 113.1 | N3 D4 I5 | M1-N3 PolarHBondContact O-N 2.77Å; M1-D4 PolarHBondContact O-N 3.45Å; M1-I5 PolarHBondContact O-N 3.38Å | |||
| 2 | T | 70.4 | Confident | 92.3 | Very high | 121 Ų | 121 | 59.9 Ų | 59.9 | 74% | 0.742 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.2 | -43.8 | -176.6 | -39.9 | 0 | 0 | 0 | 0 | 113.1 | Y6 | T2-Y6 PolarHBondContact O-N 3.28Å |
| 3 | N | 91.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 177.9 | -67.7 | 9 | 0 | 0 | 0 | 112.6 | M1 I5 Y6 F7 D34 | M1-N3 PolarHBondContact O-N 2.77Å; N3-I5 PolarHBondContact O-N 3.15Å; N3-Y6 WeakPolarHBondContact O-CB 3.48Å; N3-Y6 PolarHBondContact O-N 3.17Å; N3-F7 HydrophobicContact CB-CD2 4.24Å; N3-F7 HydrophobicContact CB-CE2 3.88Å; N3-F7 WeakPolarHBondContact O-CD2 3.44Å; N3-F7 PolarHBondContact O-N 3.33Å; N3-D34 VanDerWaalsContact ND2-CG 3.31Å; N3-D34 PolarHBondContact ND2-OD1 3.1Å; N3-D34 PolarHBondContact ND2-OD2 3.28Å |
| 4 | D | 97.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | -177.5 | -59.6 | -39.4 | 0 | 0 | 0 | 112.4 | M1 Y6 M8 Y77 R97 V99 V132 | M1-D4 PolarHBondContact O-N 3.45Å; D4-Y6 VanDerWaalsContact C-N 3.31Å; D4-M8 WeakPolarHBondContact O-CB 3.43Å; D4-M8 PolarHBondContact O-N 3.49Å; D4-Y77 HydrophobicContact CB-CE1 3.96Å; D4-Y77 VanDerWaalsContact OD1-CE1 3.23Å; D4-Y77 WeakPolarHBondContact OD1-CE1 3.5Å; D4-Y77 PolarHBondContact OD1-OH 3.39Å; D4-R97 IonicContact OD1-CZ 3.97Å; D4-R97 IonicContact OD1-NH1 3.17Å; D4-R97 PolarHBondContact OD1-NH1 3.45Å; D4-R97 IonicContact OD1-NH2 3.83Å; D4-R97 PolarHBondContact OD1-NH2 2.86Å; D4-R97 VanDerWaalsContact OD1-NH2 3.13Å; D4-R97 IonicContact OD2-CZ 2.85Å; D4-R97 IonicContact OD2-NH1 2.76Å; D4-R97 IonicContact OD2-NH2 2.76Å; D4-R97 PolarHBondContact OD2-NH2 2.8Å; D4-V99 HydrophobicContact CB-CG1 4.5Å; D4-V132 HydrophobicContact CB-CG1 4.35Å; D4-V132 HydrophobicContact CB-CG2 4.5Å |
| 5 | I | 98.1 | Very high | 93.6 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.9 | -68.3 | 171.7 | 0 | 0 | 0 | 110.3 | M1 N3 T9 V132 L133 | M1-I5 PolarHBondContact O-N 3.38Å; N3-I5 PolarHBondContact O-N 3.15Å; I5-T9 WeakPolarHBondContact O-CB 3.47Å; I5-T9 PolarHBondContact O-N 3.13Å; I5-T9 PolarHBondContact O-OG1 3.12Å; I5-V132 HydrophobicContact CG1-CG1 4.37Å; I5-L133 HydrophobicContact CG2-CD1 4.37Å; I5-L133 HydrophobicContact CG2-CD2 4.28Å |
| 6 | Y | 98.2 | Very high | 93.9 | Very high | 133 Ų | 133 | 57.6 Ų | 57.6 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -53.7 | 177 | 173.1 | -104.6 | 0 | 0 | 0 | 111.6 | T2 N3 D4 M8 T9 L10 | T2-Y6 PolarHBondContact O-N 3.28Å; N3-Y6 WeakPolarHBondContact O-CB 3.48Å; N3-Y6 PolarHBondContact O-N 3.17Å; D4-Y6 VanDerWaalsContact C-N 3.31Å; Y6-M8 VanDerWaalsContact C-N 3.35Å; Y6-M8 PolarHBondContact O-N 3.1Å; Y6-T9 VanDerWaalsContact O-CB 3.31Å; Y6-T9 WeakPolarHBondContact O-CB 3.28Å; Y6-T9 PolarHBondContact O-N 3.39Å; Y6-T9 VanDerWaalsContact O-N 3.1Å; Y6-L10 HydrophobicContact CD1-CD1 4.39Å; Y6-L10 HydrophobicContact CE1-CD1 3.75Å; Y6-L10 PolarHBondContact O-N 3.11Å; Y6-L10 VanDerWaalsContact O-N 3.16Å |
| 7 | F | 98.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.2 | -33.4 | -179.1 | -63.1 | -56.3 | 0 | 0 | 0 | 113.2 | N3 T9 L10 A11 T31 D34 V36 Y77 | N3-F7 HydrophobicContact CB-CD2 4.24Å; N3-F7 HydrophobicContact CB-CE2 3.88Å; N3-F7 WeakPolarHBondContact O-CD2 3.44Å; N3-F7 PolarHBondContact O-N 3.33Å; F7-T9 VanDerWaalsContact C-N 3.31Å; F7-T9 PolarHBondContact O-N 3.38Å; F7-L10 HydrophobicContact CD1-CD1 4.17Å; F7-L10 WeakPolarHBondContact O-CB 3.33Å; F7-L10 PolarHBondContact O-N 2.73Å; F7-A11 PolarHBondContact O-N 3.28Å; F7-T31 HydrophobicContact CD1-CG2 3.55Å; F7-T31 HydrophobicContact CD2-CG2 4.06Å; F7-T31 HydrophobicContact CE1-CG2 3.54Å; F7-T31 HydrophobicContact CE2-CG2 4.01Å; F7-T31 HydrophobicContact CG-CG2 3.84Å; F7-T31 HydrophobicContact CZ-CG2 3.8Å; F7-D34 HydrophobicContact CZ-CB 4.38Å; F7-D34 VanDerWaalsContact CZ-O 3.27Å; F7-D34 WeakPolarHBondContact CZ-O 3.49Å; F7-V36 HydrophobicContact CD1-CG2 3.9Å; F7-V36 HydrophobicContact CE1-CG2 3.79Å; F7-Y77 HydrophobicContact CB-CD1 3.75Å; F7-Y77 HydrophobicContact CB-CD2 3.58Å; F7-Y77 HydrophobicContact CB-CE1 3.85Å; F7-Y77 HydrophobicContact CB-CE2 3.65Å; F7-Y77 HydrophobicContact CB-CG 3.63Å; F7-Y77 HydrophobicContact CD2-CD2 4.39Å; F7-Y77 HydrophobicContact CD2-CE1 4.19Å; F7-Y77 AromaticContact CD2-CE2 3.59Å; F7-Y77 HydrophobicContact CD2-CE2 3.59Å; F7-Y77 AromaticContact CD2-CZ 3.48Å; F7-Y77 VanDerWaalsContact CD2-CZ 3.48Å; F7-Y77 WeakPolarHBondContact CD2-OH 3.49Å; F7-Y77 HydrophobicContact CE2-CE2 4.46Å; F7-Y77 HydrophobicContact CG-CD2 4.14Å; F7-Y77 HydrophobicContact CG-CE1 4.5Å; F7-Y77 AromaticContact CG-CE2 3.79Å; F7-Y77 HydrophobicContact CG-CE2 3.79Å; F7-Y77 AromaticContact CG-CZ 4Å |
| 8 | M | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 172.5 | -171.5 | 58.7 | 68 | 0 | 0 | 112.1 | D4 Y6 L10 A11 I12 V78 T79 V99 V132 L133 | D4-M8 WeakPolarHBondContact O-CB 3.43Å; D4-M8 PolarHBondContact O-N 3.49Å; Y6-M8 VanDerWaalsContact C-N 3.35Å; Y6-M8 PolarHBondContact O-N 3.1Å; M8-L10 VanDerWaalsContact C-N 3.32Å; M8-L10 PolarHBondContact O-N 2.87Å; M8-A11 WeakPolarHBondContact O-CB 3.49Å; M8-A11 PolarHBondContact O-N 3.04Å; M8-A11 HydrophobicContact SD-CB 4.11Å; M8-I12 HydrophobicContact CG-CD1 4.5Å; M8-I12 WeakPolarHBondContact O-CG1 3.41Å; M8-I12 PolarHBondContact O-N 3.46Å; M8-V78 WeakPolarHBondContact CE-O 3.35Å; M8-T79 HydrophobicContact SD-CG2 4.16Å; M8-V99 HydrophobicContact CE-CG1 4.25Å; M8-V132 HydrophobicContact CB-CG1 3.78Å; M8-V132 HydrophobicContact CE-CB 4.31Å; M8-V132 HydrophobicContact CG-CG1 4.08Å; M8-V132 WeakPolarHBondContact CG-O 3.4Å; M8-L133 HydrophobicContact CB-CD1 4.03Å; M8-L133 HydrophobicContact CB-CG 4.48Å; M8-L133 HydrophobicContact CG-CB 4.03Å; M8-L133 HydrophobicContact CG-CD1 3.98Å; M8-L133 HydrophobicContact CG-CG 4.23Å |
| 9 | T | 98.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -42 | 172.5 | -58 | 0 | 0 | 0 | 0 | 110.9 | I5 Y6 F7 A11 I12 E13 | I5-T9 WeakPolarHBondContact O-CB 3.47Å; I5-T9 PolarHBondContact O-N 3.13Å; I5-T9 PolarHBondContact O-OG1 3.12Å; Y6-T9 VanDerWaalsContact O-CB 3.31Å; Y6-T9 WeakPolarHBondContact O-CB 3.28Å; Y6-T9 PolarHBondContact O-N 3.39Å; Y6-T9 VanDerWaalsContact O-N 3.1Å; F7-T9 VanDerWaalsContact C-N 3.31Å; F7-T9 PolarHBondContact O-N 3.38Å; T9-A11 VanDerWaalsContact C-N 3.35Å; T9-A11 PolarHBondContact O-N 3.24Å; T9-I12 WeakPolarHBondContact O-CB 3.3Å; T9-I12 PolarHBondContact O-N 3.32Å; T9-E13 WeakPolarHBondContact O-CG 3.25Å; T9-E13 PolarHBondContact O-N 3.03Å |
| 10 | L | 98.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 173.7 | -59.9 | -179.5 | 0 | 0 | 0 | 112.3 | Y6 F7 M8 I12 E13 E14 I29 V36 | Y6-L10 HydrophobicContact CD1-CD1 4.39Å; Y6-L10 HydrophobicContact CE1-CD1 3.75Å; Y6-L10 PolarHBondContact O-N 3.11Å; Y6-L10 VanDerWaalsContact O-N 3.16Å; F7-L10 HydrophobicContact CD1-CD1 4.17Å; F7-L10 WeakPolarHBondContact O-CB 3.33Å; F7-L10 PolarHBondContact O-N 2.73Å; M8-L10 VanDerWaalsContact C-N 3.32Å; M8-L10 PolarHBondContact O-N 2.87Å; L10-I12 VanDerWaalsContact C-N 3.32Å; L10-I12 PolarHBondContact O-N 3.15Å; L10-E13 VanDerWaalsContact CD2-OE2 3.27Å; L10-E13 WeakPolarHBondContact CD2-OE2 3.49Å; L10-E13 WeakPolarHBondContact O-CB 3.21Å; L10-E13 PolarHBondContact O-N 2.99Å; L10-E14 PolarHBondContact O-N 2.9Å; L10-E14 VanDerWaalsContact O-N 3.16Å; L10-I29 HydrophobicContact CB-CD1 3.89Å; L10-I29 HydrophobicContact CB-CG1 3.91Å; L10-V36 HydrophobicContact CD1-CG2 3.96Å |
| 11 | A | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F7 M8 T9 E13 E14 A15 G27 I29 T79 | F7-A11 PolarHBondContact O-N 3.28Å; M8-A11 WeakPolarHBondContact O-CB 3.49Å; M8-A11 PolarHBondContact O-N 3.04Å; M8-A11 HydrophobicContact SD-CB 4.11Å; T9-A11 VanDerWaalsContact C-N 3.35Å; T9-A11 PolarHBondContact O-N 3.24Å; A11-E13 VanDerWaalsContact C-N 3.33Å; A11-E14 PolarHBondContact O-N 3.26Å; A11-A15 PolarHBondContact O-N 3.02Å; A11-G27 WeakPolarHBondContact O-CA 3.16Å; A11-I29 HydrophobicContact CB-CG1 3.85Å; A11-T79 HydrophobicContact CB-CG2 3.86Å |
| 12 | I | 98.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 172.1 | -75.9 | 167.6 | 0 | 0 | 0 | 111.5 | M8 T9 L10 A15 K16 T79 L133 A136 L140 | M8-I12 HydrophobicContact CG-CD1 4.5Å; M8-I12 WeakPolarHBondContact O-CG1 3.41Å; M8-I12 PolarHBondContact O-N 3.46Å; T9-I12 WeakPolarHBondContact O-CB 3.3Å; T9-I12 PolarHBondContact O-N 3.32Å; L10-I12 VanDerWaalsContact C-N 3.32Å; L10-I12 PolarHBondContact O-N 3.15Å; I12-A15 WeakPolarHBondContact O-CB 3.27Å; I12-A15 PolarHBondContact O-N 2.66Å; I12-K16 WeakPolarHBondContact O-CG 3.38Å; I12-K16 PolarHBondContact O-N 3.36Å; I12-T79 HydrophobicContact CG1-CG2 3.91Å; I12-L133 HydrophobicContact CD1-CB 4.16Å; I12-L133 HydrophobicContact CD1-CD1 3.87Å; I12-A136 HydrophobicContact CD1-CB 3.92Å; I12-L140 HydrophobicContact CG1-CD1 4.28Å; I12-L140 HydrophobicContact CG2-CD1 4.16Å |
| 13 | E | 98.8 | Very high | 98 | Very high | 87 Ų | 87 | 50 Ų | 50 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.8 | -66.8 | 174 | 157.9 | 0 | 0 | 112 | T9 L10 A11 K16 K17 | T9-E13 WeakPolarHBondContact O-CG 3.25Å; T9-E13 PolarHBondContact O-N 3.03Å; L10-E13 VanDerWaalsContact CD2-OE2 3.27Å; L10-E13 WeakPolarHBondContact CD2-OE2 3.49Å; L10-E13 WeakPolarHBondContact O-CB 3.21Å; L10-E13 PolarHBondContact O-N 2.99Å; A11-E13 VanDerWaalsContact C-N 3.33Å; E13-K16 WeakPolarHBondContact O-CB 3.42Å; E13-K16 PolarHBondContact O-N 3Å; E13-K17 PolarHBondContact O-N 3.21Å |
| 14 | E | 98.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 172.8 | -70.1 | -59.9 | 134.6 | 0 | 0 | 111.7 | L10 A11 K16 K17 A18 I29 R39 A40 H41 | L10-E14 PolarHBondContact O-N 2.9Å; L10-E14 VanDerWaalsContact O-N 3.16Å; A11-E14 PolarHBondContact O-N 3.26Å; E14-K16 VanDerWaalsContact C-N 3.25Å; E14-K16 PolarHBondContact O-N 2.91Å; E14-K17 WeakPolarHBondContact O-CA 3.43Å; E14-K17 WeakPolarHBondContact O-CB 3.12Å; E14-K17 PolarHBondContact O-N 3.49Å; E14-K17 IonicContact OE1-NZ 2.75Å; E14-K17 PolarHBondContact OE1-NZ 3.36Å; E14-A18 PolarHBondContact O-N 2.65Å; E14-A18 VanDerWaalsContact O-N 3.09Å; E14-I29 HydrophobicContact CG-CD1 4.07Å; E14-R39 HydrophobicContact CG-CB 4.13Å; E14-A40 WeakPolarHBondContact CB-O 3.19Å; E14-H41 HydrophobicContact CB-CB 4.12Å; E14-H41 WeakPolarHBondContact O-CB 3.26Å; E14-H41 IonicContact OE2-CE1 3.04Å; E14-H41 IonicContact OE2-CG 3.57Å; E14-H41 IonicContact OE2-ND1 3.58Å; E14-H41 PolarHBondContact OE2-ND1 3.29Å |
| 15 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A11 I12 K17 A18 A19 P25 T79 L140 | A11-A15 PolarHBondContact O-N 3.02Å; I12-A15 WeakPolarHBondContact O-CB 3.27Å; I12-A15 PolarHBondContact O-N 2.66Å; A15-K17 VanDerWaalsContact C-N 3.35Å; A15-A18 WeakPolarHBondContact O-CB 3.33Å; A15-A18 PolarHBondContact O-N 2.95Å; A15-A19 PolarHBondContact O-N 3.28Å; A15-P25 WeakPolarHBondContact CB-O 3.41Å; A15-P25 WeakPolarHBondContact O-CA 3.34Å; A15-P25 WeakPolarHBondContact O-CB 3.29Å; A15-T79 HydrophobicContact CB-CG2 4.1Å; A15-L140 HydrophobicContact CB-CD1 3.83Å |
| 16 | K | 98.7 | Very high | 98.4 | Very high | 108 Ų | 108 | 43.6 Ų | 43.6 | 47% | 0.47 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -35.3 | 173.8 | -71.2 | 170.7 | -178.1 | 175.6 | 0 | 112.2 | I12 E13 E14 A19 Q20 L140 | I12-K16 WeakPolarHBondContact O-CG 3.38Å; I12-K16 PolarHBondContact O-N 3.36Å; E13-K16 WeakPolarHBondContact O-CB 3.42Å; E13-K16 PolarHBondContact O-N 3Å; E14-K16 VanDerWaalsContact C-N 3.25Å; E14-K16 PolarHBondContact O-N 2.91Å; K16-A19 WeakPolarHBondContact O-CB 3.09Å; K16-A19 PolarHBondContact O-N 2.98Å; K16-Q20 WeakPolarHBondContact O-CG 3.36Å; K16-Q20 PolarHBondContact O-N 2.77Å; K16-Q20 VanDerWaalsContact O-N 3.08Å; K16-L140 HydrophobicContact CG-CD2 4.18Å |
| 17 | K | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 39% | 0.391 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 174 | -63.4 | 173 | -171.6 | 173.5 | 0 | 111.3 | E13 E14 A15 A19 Q20 L21 | E13-K17 PolarHBondContact O-N 3.21Å; E14-K17 WeakPolarHBondContact O-CA 3.43Å; E14-K17 WeakPolarHBondContact O-CB 3.12Å; E14-K17 PolarHBondContact O-N 3.49Å; E14-K17 IonicContact OE1-NZ 2.75Å; E14-K17 PolarHBondContact OE1-NZ 3.36Å; A15-K17 VanDerWaalsContact C-N 3.35Å; K17-A19 VanDerWaalsContact C-N 3.34Å; K17-A19 PolarHBondContact O-N 3.04Å; K17-Q20 WeakPolarHBondContact O-CB 3.48Å; K17-Q20 PolarHBondContact O-N 2.93Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 2.8Å |
| 18 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E14 A15 Q20 L21 G22 E23 H41 | E14-A18 PolarHBondContact O-N 2.65Å; E14-A18 VanDerWaalsContact O-N 3.09Å; A15-A18 WeakPolarHBondContact O-CB 3.33Å; A15-A18 PolarHBondContact O-N 2.95Å; A18-Q20 VanDerWaalsContact C-N 3.27Å; A18-Q20 PolarHBondContact O-N 3.47Å; A18-L21 WeakPolarHBondContact O-CA 3.47Å; A18-L21 PolarHBondContact O-N 2.95Å; A18-G22 PolarHBondContact O-N 3.29Å; A18-E23 HydrophobicContact CB-CB 3.81Å; A18-E23 WeakPolarHBondContact O-CB 3.36Å; A18-E23 PolarHBondContact O-N 3Å; A18-H41 HydrophobicContact CB-CB 3.8Å |
| 19 | A | 98.1 | Very high | 98.5 | Very high | 40 Ų | 40 | 37 Ų | 37 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.5 | -40.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A15 K16 K17 L21 G22 P25 | A15-A19 PolarHBondContact O-N 3.28Å; K16-A19 WeakPolarHBondContact O-CB 3.09Å; K16-A19 PolarHBondContact O-N 2.98Å; K17-A19 VanDerWaalsContact C-N 3.34Å; K17-A19 PolarHBondContact O-N 3.04Å; A19-L21 PolarHBondContact O-N 3.09Å; A19-G22 PolarHBondContact O-N 3.38Å; A19-G22 VanDerWaalsContact O-N 3.09Å; A19-P25 HydrophobicContact CB-CB 4.06Å |
| 20 | Q | 97.4 | Very high | 98.5 | Very high | 163 Ų | 163 | 34.1 Ų | 34.1 | 76% | 0.762 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.8 | -28.4 | 178.2 | -71.7 | 169.9 | 1.6 | 0 | 0 | 112.7 | K16 K17 A18 G22 | K16-Q20 WeakPolarHBondContact O-CG 3.36Å; K16-Q20 PolarHBondContact O-N 2.77Å; K16-Q20 VanDerWaalsContact O-N 3.08Å; K17-Q20 WeakPolarHBondContact O-CB 3.48Å; K17-Q20 PolarHBondContact O-N 2.93Å; A18-Q20 VanDerWaalsContact C-N 3.27Å; A18-Q20 PolarHBondContact O-N 3.47Å; Q20-G22 VanDerWaalsContact C-N 3.3Å |
| 21 | L | 97.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 33.7 Ų | 33.7 | 51% | 0.508 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1 | 175.1 | -62 | 173.9 | 0 | 0 | 0 | 113.2 | K17 A18 A19 E23 L43 | K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 2.8Å; A18-L21 WeakPolarHBondContact O-CA 3.47Å; A18-L21 PolarHBondContact O-N 2.95Å; A19-L21 PolarHBondContact O-N 3.09Å; L21-E23 VanDerWaalsContact C-N 3.29Å; L21-E23 HydrophobicContact CB-CG 4.04Å; L21-L43 HydrophobicContact CD1-CD2 3.62Å |
| 22 | G | 96.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 37 Ų | 37 | 47% | 0.474 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 12.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A18 A19 Q20 | A18-G22 PolarHBondContact O-N 3.29Å; A19-G22 PolarHBondContact O-N 3.38Å; A19-G22 VanDerWaalsContact O-N 3.09Å; Q20-G22 VanDerWaalsContact C-N 3.3Å |
| 23 | E | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -86.2 | 155.5 | 177.2 | -61.7 | -79.2 | -174 | 0 | 0 | 111.3 | A18 L21 N42 L43 R44 E45 T46 F144 | A18-E23 HydrophobicContact CB-CB 3.81Å; A18-E23 WeakPolarHBondContact O-CB 3.36Å; A18-E23 PolarHBondContact O-N 3Å; L21-E23 VanDerWaalsContact C-N 3.29Å; L21-E23 HydrophobicContact CB-CG 4.04Å; E23-N42 HydrophobicContact CB-CB 4.41Å; E23-N42 WeakPolarHBondContact CB-O 3.5Å; E23-N42 WeakPolarHBondContact CG-O 3.22Å; E23-L43 VanDerWaalsContact OE1-CA 3.25Å; E23-L43 WeakPolarHBondContact OE1-CA 3.4Å; E23-R44 PolarHBondContact OE1-N 3.47Å; E23-R44 PolarHBondContact OE2-N 3.17Å; E23-R44 VanDerWaalsContact OE2-N 3.15Å; E23-E45 WeakPolarHBondContact OE1-CA 3.46Å; E23-E45 PolarHBondContact OE1-N 3.45Å; E23-E45 PolarHBondContact OE2-N 2.95Å; E23-T46 WeakPolarHBondContact OE1-CB 3.21Å; E23-T46 PolarHBondContact OE1-N 3.49Å; E23-T46 PolarHBondContact OE1-OG1 3.29Å; E23-F144 WeakPolarHBondContact O-CE2 3.44Å; E23-F144 WeakPolarHBondContact O-CZ 3.05Å |
| 24 | V | 98.2 | Very high | 98 | Very high | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | trans | -55.8 | 125.7 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | I26 N42 L141 F144 F145 | V24-I26 VanDerWaalsContact C-N 3.29Å; V24-I26 HydrophobicContact CG1-CD1 3.95Å; V24-I26 HydrophobicContact CG1-CG1 4.08Å; V24-I26 PolarHBondContact O-N 3.25Å; V24-N42 WeakPolarHBondContact O-CB 3.39Å; V24-L141 HydrophobicContact CG1-CD2 3.86Å; V24-F144 HydrophobicContact CB-CE1 4.46Å; V24-F144 HydrophobicContact CG2-CE1 4.09Å; V24-F145 HydrophobicContact CG1-CZ 4.15Å; V24-F145 HydrophobicContact CG2-CZ 4.39Å | ||
| 25 | P | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | trans | -78.8 | 75.9 | -165.6 | 33.9 | -40.8 | 0 | 0 | 0 | 111.6 | A15 A19 L140 L141 F144 | A15-P25 WeakPolarHBondContact CB-O 3.41Å; A15-P25 WeakPolarHBondContact O-CA 3.34Å; A15-P25 WeakPolarHBondContact O-CB 3.29Å; A19-P25 HydrophobicContact CB-CB 4.06Å; P25-L140 HydrophobicContact CB-CB 4.38Å; P25-L140 HydrophobicContact CG-CB 4.26Å; P25-L141 HydrophobicContact CG-CD2 4.08Å; P25-L141 HydrophobicContact CG-CG 4.44Å; P25-F144 VanDerWaalsContact CD-CG 3.42Å; P25-F144 HydrophobicContact CG-CB 3.64Å; P25-F144 HydrophobicContact CG-CD1 4.49Å; P25-F144 HydrophobicContact CG-CD2 4.49Å; P25-F144 HydrophobicContact CG-CG 3.99Å | ||
| 26 | I | 98.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | trans | -120 | 127.1 | 175.6 | -57.8 | 171.1 | 0 | 0 | 0 | 107.6 | V24 H41 N42 A54 V78 T79 L80 L141 | V24-I26 VanDerWaalsContact C-N 3.29Å; V24-I26 HydrophobicContact CG1-CD1 3.95Å; V24-I26 HydrophobicContact CG1-CG1 4.08Å; V24-I26 PolarHBondContact O-N 3.25Å; I26-H41 CarbonylContact O-C 3.56Å; I26-H41 WeakPolarHBondContact O-CA 3.3Å; I26-H41 WeakPolarHBondContact O-CB 3.31Å; I26-N42 PolarHBondContact O-N 2.93Å; I26-A54 HydrophobicContact CG2-CB 3.94Å; I26-V78 HydrophobicContact CG2-CG2 3.99Å; I26-T79 WeakPolarHBondContact CA-OG1 3.3Å; I26-L80 HydrophobicContact CD1-CB 4.08Å; I26-L80 HydrophobicContact CD1-CD2 3.49Å; I26-L80 VanDerWaalsContact CD1-CD2 3.49Å; I26-L80 HydrophobicContact CD1-CG 4.4Å; I26-L80 HydrophobicContact CG1-CB 4.11Å; I26-L80 HydrophobicContact CG1-CD2 4.18Å; I26-L80 HydrophobicContact CG2-CB 4.33Å; I26-L141 HydrophobicContact CG1-CD2 4.26Å | ||
| 27 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A11 A40 V78 T79 | A11-G27 WeakPolarHBondContact O-CA 3.16Å; G27-A40 CarbonylContact C-O 3.6Å; G27-A40 WeakPolarHBondContact CA-O 3.47Å; G27-V78 WeakPolarHBondContact O-CA 3.33Å; G27-T79 PolarHBondContact N-OG1 3.34Å; G27-T79 PolarHBondContact O-N 2.8Å; G27-T79 PolarHBondContact O-OG1 3.14Å |
| 28 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A40 A54 A58 L76 Y77 V78 | A28-A40 PolarHBondContact N-O 3.25Å; A28-A40 PolarHBondContact O-N 3.46Å; A28-A54 HydrophobicContact CB-CB 3.73Å; A28-A58 HydrophobicContact CB-CB 4.02Å; A28-L76 HydrophobicContact CB-CD1 4.07Å; A28-Y77 CarbonylContact C-O 3.55Å; A28-Y77 WeakPolarHBondContact CA-O 3.24Å; A28-V78 HydrophobicContact CB-CB 4.43Å; A28-V78 HydrophobicContact CB-CG2 4.41Å |
| 29 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.5 | 175.6 | -57.7 | -68.5 | 0 | 0 | 0 | 107.6 | L10 A11 E14 T31 V36 A38 R39 Y77 | L10-I29 HydrophobicContact CB-CD1 3.89Å; L10-I29 HydrophobicContact CB-CG1 3.91Å; A11-I29 HydrophobicContact CB-CG1 3.85Å; E14-I29 HydrophobicContact CG-CD1 4.07Å; I29-T31 HydrophobicContact CG2-CG2 4.11Å; I29-V36 HydrophobicContact CG2-CB 4.39Å; I29-V36 HydrophobicContact CG2-CG1 3.79Å; I29-V36 HydrophobicContact CG2-CG2 3.85Å; I29-A38 WeakPolarHBondContact CA-O 3.35Å; I29-R39 HydrophobicContact CD1-CB 3.88Å; I29-R39 HydrophobicContact CD1-CG 3.61Å; I29-Y77 PolarHBondContact N-O 3.21Å; I29-Y77 PolarHBondContact O-N 3Å |
| 30 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.2 | 167.1 | -63.2 | 178.7 | 0 | 0 | 0 | 108.7 | I37 A38 A58 I59 A62 L71 C74 T75 L76 I95 | I30-I37 HydrophobicContact CB-CG1 4.32Å; I30-I37 HydrophobicContact CG2-CD1 3.95Å; I30-I37 HydrophobicContact CG2-CG1 3.88Å; I30-I37 WeakPolarHBondContact O-CG1 3.47Å; I30-I37 PolarHBondContact O-N 3.41Å; I30-A38 HydrophobicContact CB-CB 4.23Å; I30-A38 PolarHBondContact N-O 3.08Å; I30-A38 PolarHBondContact O-N 2.83Å; I30-A58 VanDerWaalsContact CD1-C 3.46Å; I30-A58 HydrophobicContact CD1-CB 3.92Å; I30-A58 WeakPolarHBondContact CD1-O 3.49Å; I30-A58 HydrophobicContact CG1-CB 4.01Å; I30-I59 HydrophobicContact CD1-CB 4.37Å; I30-I59 HydrophobicContact CD1-CG1 3.79Å; I30-A62 HydrophobicContact CB-CB 4.22Å; I30-A62 HydrophobicContact CD1-CB 3.83Å; I30-A62 HydrophobicContact CG2-CB 3.98Å; I30-L71 HydrophobicContact CD1-CD1 4.29Å; I30-C74 HydrophobicContact CG2-CB 3.83Å; I30-T75 VanDerWaalsContact CA-O 3.32Å; I30-T75 WeakPolarHBondContact CA-O 3.33Å; I30-L76 HydrophobicContact CD1-CD1 4.23Å; I30-L76 HydrophobicContact CG1-CB 4.36Å; I30-L76 HydrophobicContact CG1-CD1 3.67Å; I30-I95 HydrophobicContact CD1-CD1 3.99Å |
| 31 | T | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 155.5 | 173.7 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | F7 I29 E35 V36 C74 T75 Y77 | F7-T31 HydrophobicContact CD1-CG2 3.55Å; F7-T31 HydrophobicContact CD2-CG2 4.06Å; F7-T31 HydrophobicContact CE1-CG2 3.54Å; F7-T31 HydrophobicContact CE2-CG2 4.01Å; F7-T31 HydrophobicContact CG-CG2 3.84Å; F7-T31 HydrophobicContact CZ-CG2 3.8Å; I29-T31 HydrophobicContact CG2-CG2 4.11Å; T31-E35 CarbonylContact C-O 3.55Å; T31-E35 WeakPolarHBondContact CA-O 3.26Å; T31-E35 WeakPolarHBondContact CB-O 3.38Å; T31-V36 HydrophobicContact CG2-CG2 4.12Å; T31-C74 CarbonylContact O-C 3.47Å; T31-C74 WeakPolarHBondContact O-CA 3.32Å; T31-C74 WeakPolarHBondContact O-CB 3.4Å; T31-T75 PolarHBondContact N-O 3.33Å; T31-T75 PolarHBondContact O-N 3.24Å; T31-Y77 HydrophobicContact CG2-CD2 4.21Å; T31-Y77 HydrophobicContact CG2-CE2 3.88Å |
| 32 | K | 98.1 | Very high | 98.1 | Very high | 69 Ų | 69 | 35.3 Ų | 35.3 | 30% | 0.3 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130 | 165.3 | -174.4 | -178.7 | 177.4 | -174.5 | 0 | 107 | D34 E35 I37 L66 | K32-D34 VanDerWaalsContact C-N 3.27Å; K32-D34 PolarHBondContact O-N 2.81Å; K32-E35 PolarHBondContact N-O 3.46Å; K32-E35 PolarHBondContact O-N 3.47Å; K32-I37 HydrophobicContact CB-CD1 4.06Å; K32-I37 HydrophobicContact CB-CG2 4.12Å; K32-L66 HydrophobicContact CD-CD1 4.1Å; K32-L66 HydrophobicContact CD-CD2 3.77Å |
| 33 | D | 95.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 34.2 Ų | 34.2 | 72% | 0.722 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.5 | -177 | -52.4 | -46 | 0 | 0 | 0 | 113 | E35 | D33-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact O-N 3.09Å |
| 34 | D | 93.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 39 Ų | 39 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 9.8 | -173.9 | -72.5 | -48.6 | 0 | 0 | 0 | 115.6 | N3 F7 K32 | N3-D34 VanDerWaalsContact ND2-CG 3.31Å; N3-D34 PolarHBondContact ND2-OD1 3.1Å; N3-D34 PolarHBondContact ND2-OD2 3.28Å; F7-D34 HydrophobicContact CZ-CB 4.38Å; F7-D34 VanDerWaalsContact CZ-O 3.27Å; F7-D34 WeakPolarHBondContact CZ-O 3.49Å; K32-D34 VanDerWaalsContact C-N 3.27Å; K32-D34 PolarHBondContact O-N 2.81Å |
| 35 | E | 97.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 42.1 Ų | 42.1 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.4 | 173 | -63.9 | -169.8 | 169 | 0 | 0 | 111.5 | T31 K32 D33 I37 | T31-E35 CarbonylContact C-O 3.55Å; T31-E35 WeakPolarHBondContact CA-O 3.26Å; T31-E35 WeakPolarHBondContact CB-O 3.38Å; K32-E35 PolarHBondContact N-O 3.46Å; K32-E35 PolarHBondContact O-N 3.47Å; D33-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact O-N 3.09Å; E35-I37 PolarHBondContact O-N 2.85Å |
| 36 | V | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 110.6 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | F7 L10 I29 T31 R39 | F7-V36 HydrophobicContact CD1-CG2 3.9Å; F7-V36 HydrophobicContact CE1-CG2 3.79Å; L10-V36 HydrophobicContact CD1-CG2 3.96Å; I29-V36 HydrophobicContact CG2-CB 4.39Å; I29-V36 HydrophobicContact CG2-CG1 3.79Å; I29-V36 HydrophobicContact CG2-CG2 3.85Å; T31-V36 HydrophobicContact CG2-CG2 4.12Å; V36-R39 HydrophobicContact CG1-CG 3.62Å |
| 37 | I | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -20.6 | 178.3 | 62.9 | 165.3 | 0 | 0 | 0 | 113 | I30 K32 E35 A62 V65 L66 | I30-I37 HydrophobicContact CB-CG1 4.32Å; I30-I37 HydrophobicContact CG2-CD1 3.95Å; I30-I37 HydrophobicContact CG2-CG1 3.88Å; I30-I37 WeakPolarHBondContact O-CG1 3.47Å; I30-I37 PolarHBondContact O-N 3.41Å; K32-I37 HydrophobicContact CB-CD1 4.06Å; K32-I37 HydrophobicContact CB-CG2 4.12Å; E35-I37 PolarHBondContact O-N 2.85Å; I37-A62 HydrophobicContact CD1-CB 3.76Å; I37-A62 HydrophobicContact CG1-CB 4.18Å; I37-V65 HydrophobicContact CB-CG1 4.2Å; I37-L66 HydrophobicContact CD1-CD1 4Å; I37-L66 HydrophobicContact CD1-CD2 4.31Å; I37-L66 HydrophobicContact CD1-CG 4.07Å |
| 38 | A | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I29 I30 A58 R61 A62 | I29-A38 WeakPolarHBondContact CA-O 3.35Å; I30-A38 HydrophobicContact CB-CB 4.23Å; I30-A38 PolarHBondContact N-O 3.08Å; I30-A38 PolarHBondContact O-N 2.83Å; A38-A58 WeakPolarHBondContact CB-O 3.49Å; A38-R61 HydrophobicContact CB-CB 3.78Å; A38-A62 HydrophobicContact CB-CB 3.95Å |
| 39 | R | 98.8 | Very high | 98.1 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.9 | 174 | -51.9 | -175.2 | 172.5 | -117.7 | -0.1 | 108.1 | E14 I29 V36 R61 | E14-R39 HydrophobicContact CG-CB 4.13Å; I29-R39 HydrophobicContact CD1-CB 3.88Å; I29-R39 HydrophobicContact CD1-CG 3.61Å; V36-R39 HydrophobicContact CG1-CG 3.62Å; R39-R61 WeakPolarHBondContact O-CD 3.49Å; R39-R61 PolarHBondContact O-NH1 2.97Å |
| 40 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 165.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E14 G27 A28 A54 I57 A58 | E14-A40 WeakPolarHBondContact CB-O 3.19Å; G27-A40 CarbonylContact C-O 3.6Å; G27-A40 WeakPolarHBondContact CA-O 3.47Å; A28-A40 PolarHBondContact N-O 3.25Å; A28-A40 PolarHBondContact O-N 3.46Å; A40-A54 WeakPolarHBondContact CB-O 3.47Å; A40-I57 HydrophobicContact CB-CB 3.75Å; A40-I57 HydrophobicContact CB-CG2 3.57Å; A40-A58 HydrophobicContact CB-CB 3.94Å |
| 41 | H | 98.9 | Very high | 98 | Very high | 23 Ų | 23 | 68.5 Ų | 68.5 | 11% | 0.106 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.4 | 171.6 | 49.3 | -91.8 | 0 | 0 | 0 | 109.6 | E14 A18 I26 L43 I57 | E14-H41 HydrophobicContact CB-CB 4.12Å; E14-H41 WeakPolarHBondContact O-CB 3.26Å; E14-H41 IonicContact OE2-CE1 3.04Å; E14-H41 IonicContact OE2-CG 3.57Å; E14-H41 IonicContact OE2-ND1 3.58Å; E14-H41 PolarHBondContact OE2-ND1 3.29Å; A18-H41 HydrophobicContact CB-CB 3.8Å; I26-H41 CarbonylContact O-C 3.56Å; I26-H41 WeakPolarHBondContact O-CA 3.3Å; I26-H41 WeakPolarHBondContact O-CB 3.31Å; H41-L43 PolarHBondContact O-N 3.02Å; H41-I57 WeakPolarHBondContact O-CD1 3.18Å |
| 42 | N | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | trans | -57.9 | 136.6 | 175.8 | -84.6 | 16.7 | 0 | 0 | 0 | 111.2 | E23 V24 I26 H53 A54 | E23-N42 HydrophobicContact CB-CB 4.41Å; E23-N42 WeakPolarHBondContact CB-O 3.5Å; E23-N42 WeakPolarHBondContact CG-O 3.22Å; V24-N42 WeakPolarHBondContact O-CB 3.39Å; I26-N42 PolarHBondContact O-N 2.93Å; N42-H53 WeakPolarHBondContact OD1-CA 3.47Å; N42-A54 PolarHBondContact OD1-N 3.4Å | ||
| 43 | L | 98.7 | Very high | 98 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.12 | 34% | 0.338 | C | S | . | . | trans | -139.4 | 27.5 | -180 | -70.8 | 175.1 | 0 | 0 | 0 | 111.2 | L21 E23 H41 T46 L47 A52 I57 | L21-L43 HydrophobicContact CD1-CD2 3.62Å; E23-L43 VanDerWaalsContact OE1-CA 3.25Å; E23-L43 WeakPolarHBondContact OE1-CA 3.4Å; H41-L43 PolarHBondContact O-N 3.02Å; L43-T46 HydrophobicContact CD2-CG2 4.41Å; L43-T46 PolarHBondContact O-N 3.36Å; L43-L47 HydrophobicContact CB-CD1 3.74Å; L43-L47 HydrophobicContact CB-CG 3.92Å; L43-L47 HydrophobicContact CD1-CD1 4.09Å; L43-L47 VanDerWaalsContact O-CB 3.3Å; L43-L47 WeakPolarHBondContact O-CB 3.41Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.04Å; L43-A52 HydrophobicContact CB-CB 4.37Å; L43-A52 PolarHBondContact N-O 3.27Å; L43-I57 HydrophobicContact CB-CD1 4.14Å; L43-I57 HydrophobicContact CD1-CD1 4.17Å; L43-I57 HydrophobicContact CG-CD1 4.36Å | ||
| 44 | R | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | -172.9 | -173.8 | -174.6 | 71.4 | -172.1 | 1.2 | 111.6 | E23 Q48 Q49 A52 | E23-R44 PolarHBondContact OE1-N 3.47Å; E23-R44 PolarHBondContact OE2-N 3.17Å; E23-R44 VanDerWaalsContact OE2-N 3.15Å; R44-Q48 VanDerWaalsContact O-CA 3.28Å; R44-Q48 WeakPolarHBondContact O-CA 3.26Å; R44-Q48 PolarHBondContact O-N 3.28Å; R44-Q49 WeakPolarHBondContact CG-O 3.35Å; R44-Q49 PolarHBondContact O-N 3.21Å; R44-A52 PolarHBondContact N-O 2.91Å |
| 45 | E | 97.8 | Very high | 98.5 | Very high | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.8 | -37 | -178.4 | -55 | -56.9 | 151.5 | 0 | 0 | 111.5 | E23 Q48 | E23-E45 WeakPolarHBondContact OE1-CA 3.46Å; E23-E45 PolarHBondContact OE1-N 3.45Å; E23-E45 PolarHBondContact OE2-N 2.95Å; E45-Q48 PolarHBondContact O-NE2 2.81Å |
| 46 | T | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.6 | -44.6 | -178.1 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | E23 L43 | E23-T46 WeakPolarHBondContact OE1-CB 3.21Å; E23-T46 PolarHBondContact OE1-N 3.49Å; E23-T46 PolarHBondContact OE1-OG1 3.29Å; L43-T46 HydrophobicContact CD2-CG2 4.41Å; L43-T46 PolarHBondContact O-N 3.36Å |
| 47 | L | 98.1 | Very high | 98.5 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -91.7 | -8.4 | -179 | -61.2 | 177.9 | 0 | 0 | 0 | 113.1 | L43 Q49 A52 | L43-L47 HydrophobicContact CB-CD1 3.74Å; L43-L47 HydrophobicContact CB-CG 3.92Å; L43-L47 HydrophobicContact CD1-CD1 4.09Å; L43-L47 VanDerWaalsContact O-CB 3.3Å; L43-L47 WeakPolarHBondContact O-CB 3.41Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.04Å; L47-Q49 HydrophobicContact CB-CB 4.13Å; L47-Q49 HydrophobicContact CB-CG 4.17Å; L47-Q49 WeakPolarHBondContact O-CG 3.21Å; L47-Q49 PolarHBondContact O-N 2.79Å; L47-A52 HydrophobicContact CB-CB 4.48Å; L47-A52 HydrophobicContact CD1-CB 4.09Å |
| 48 | Q | 98.2 | Very high | 98.5 | Very high | 151 Ų | 151 | 48 Ų | 48 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40 | -172.1 | -65 | -68.8 | -57.5 | 0 | 0 | 111.8 | R44 E45 | R44-Q48 VanDerWaalsContact O-CA 3.28Å; R44-Q48 WeakPolarHBondContact O-CA 3.26Å; R44-Q48 PolarHBondContact O-N 3.28Å; E45-Q48 PolarHBondContact O-NE2 2.81Å |
| 49 | Q | 98 | Very high | 98.5 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | trans | -122.8 | 117.6 | -176.1 | -79.3 | 177.5 | -8.2 | 0 | 0 | 110.2 | R44 L47 T51 A52 | R44-Q49 WeakPolarHBondContact CG-O 3.35Å; R44-Q49 PolarHBondContact O-N 3.21Å; L47-Q49 HydrophobicContact CB-CB 4.13Å; L47-Q49 HydrophobicContact CB-CG 4.17Å; L47-Q49 WeakPolarHBondContact O-CG 3.21Å; L47-Q49 PolarHBondContact O-N 2.79Å; Q49-T51 PolarHBondContact O-N 3.41Å; Q49-T51 VanDerWaalsContact O-N 3.1Å; Q49-A52 HydrophobicContact CB-CB 3.85Å; Q49-A52 WeakPolarHBondContact O-CB 3.38Å; Q49-A52 PolarHBondContact O-N 3.21Å; Q49-A52 VanDerWaalsContact O-N 3.11Å | ||
| 50 | P | 97.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 68% | 0.675 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.1 | -176.1 | 26.4 | -34.8 | 0 | 0 | 0 | 113.3 | ||
| 51 | T | 98.3 | Very high | 98.5 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4 | -179.8 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | Q49 H53 H56 M85 | Q49-T51 PolarHBondContact O-N 3.41Å; Q49-T51 VanDerWaalsContact O-N 3.1Å; T51-H53 PolarHBondContact O-N 2.87Å; T51-H56 WeakPolarHBondContact O-CB 3.37Å; T51-M85 HydrophobicContact CG2-SD 3.75Å |
| 52 | A | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | trans | -76.8 | 53.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L43 R44 L47 Q49 I57 | L43-A52 HydrophobicContact CB-CB 4.37Å; L43-A52 PolarHBondContact N-O 3.27Å; R44-A52 PolarHBondContact N-O 2.91Å; L47-A52 HydrophobicContact CB-CB 4.48Å; L47-A52 HydrophobicContact CD1-CB 4.09Å; Q49-A52 HydrophobicContact CB-CB 3.85Å; Q49-A52 WeakPolarHBondContact O-CB 3.38Å; Q49-A52 PolarHBondContact O-N 3.21Å; Q49-A52 VanDerWaalsContact O-N 3.11Å; A52-I57 HydrophobicContact CB-CD1 4.12Å | ||
| 53 | H | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | trans | -85.9 | 153.9 | 170.8 | -71.2 | -166.7 | 0 | 0 | 0 | 110.9 | N42 T51 E55 H56 I57 M85 | N42-H53 WeakPolarHBondContact OD1-CA 3.47Å; T51-H53 PolarHBondContact O-N 2.87Å; H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.34Å; H53-H56 PolarHBondContact O-N 3.41Å; H53-I57 WeakPolarHBondContact O-CG1 3.45Å; H53-I57 PolarHBondContact O-N 3.47Å; H53-M85 HydrophobicContact CB-CE 3.95Å; H53-M85 WeakPolarHBondContact ND1-CE 3.16Å | ||
| 54 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.8 | -45.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I26 A28 A40 N42 A58 | I26-A54 HydrophobicContact CG2-CB 3.94Å; A28-A54 HydrophobicContact CB-CB 3.73Å; A40-A54 WeakPolarHBondContact CB-O 3.47Å; N42-A54 PolarHBondContact OD1-N 3.4Å; A54-A58 VanDerWaalsContact O-CB 3.26Å; A54-A58 WeakPolarHBondContact O-CB 3.36Å; A54-A58 PolarHBondContact O-N 2.88Å |
| 55 | E | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.023 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | -178.7 | -49.1 | 96.5 | 120.4 | 0 | 0 | 111.3 | H53 A58 I59 L76 V78 P82 C86 | H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.34Å; E55-A58 PolarHBondContact O-N 2.95Å; E55-I59 WeakPolarHBondContact O-CB 3.44Å; E55-I59 WeakPolarHBondContact O-CG1 3.27Å; E55-I59 PolarHBondContact O-N 3.43Å; E55-L76 HydrophobicContact CB-CD2 4.13Å; E55-L76 HydrophobicContact CG-CD2 4.21Å; E55-V78 HydrophobicContact CG-CB 4.05Å; E55-V78 HydrophobicContact CG-CG1 4.4Å; E55-V78 HydrophobicContact CG-CG2 3.59Å; E55-P82 WeakPolarHBondContact OE1-CA 3.29Å; E55-C86 HydrophobicContact CB-CB 3.93Å; E55-C86 HydrophobicContact CG-CB 4.07Å; E55-C86 VanDerWaalsContact OE1-CB 3.26Å; E55-C86 WeakPolarHBondContact OE1-CB 3.38Å; E55-C86 PolarHBondContact OE1-SG 2.94Å; E55-C86 VanDerWaalsContact OE1-SG 3.4Å; E55-C86 PolarHBondContact OE2-SG 3.06Å |
| 56 | H | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | -179.2 | -170.6 | -92.1 | 0 | 0 | 0 | 110.8 | T51 H53 A58 I59 E60 | T51-H56 WeakPolarHBondContact O-CB 3.37Å; H53-H56 PolarHBondContact O-N 3.41Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 2.89Å; H56-I59 PolarHBondContact O-N 3.46Å; H56-E60 IonicContact CE1-OE1 3.38Å; H56-E60 PolarHBondContact CE1-OE1 3.29Å; H56-E60 IonicContact ND1-OE1 3.88Å; H56-E60 WeakPolarHBondContact O-CG 3.49Å; H56-E60 PolarHBondContact O-N 2.98Å |
| 57 | I | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.1 | -62.6 | 163.2 | 0 | 0 | 0 | 111 | A40 H41 L43 A52 H53 E60 R61 | A40-I57 HydrophobicContact CB-CB 3.75Å; A40-I57 HydrophobicContact CB-CG2 3.57Å; H41-I57 WeakPolarHBondContact O-CD1 3.18Å; L43-I57 HydrophobicContact CB-CD1 4.14Å; L43-I57 HydrophobicContact CD1-CD1 4.17Å; L43-I57 HydrophobicContact CG-CD1 4.36Å; A52-I57 HydrophobicContact CB-CD1 4.12Å; H53-I57 WeakPolarHBondContact O-CG1 3.45Å; H53-I57 PolarHBondContact O-N 3.47Å; I57-E60 PolarHBondContact O-N 3.47Å; I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CB 3.44Å; I57-R61 VanDerWaalsContact O-CG 3.27Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.44Å |
| 58 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A28 I30 A38 A40 A54 E55 H56 R61 A62 | A28-A58 HydrophobicContact CB-CB 4.02Å; I30-A58 VanDerWaalsContact CD1-C 3.46Å; I30-A58 HydrophobicContact CD1-CB 3.92Å; I30-A58 WeakPolarHBondContact CD1-O 3.49Å; I30-A58 HydrophobicContact CG1-CB 4.01Å; A38-A58 WeakPolarHBondContact CB-O 3.49Å; A40-A58 HydrophobicContact CB-CB 3.94Å; A54-A58 VanDerWaalsContact O-CB 3.26Å; A54-A58 WeakPolarHBondContact O-CB 3.36Å; A54-A58 PolarHBondContact O-N 2.88Å; E55-A58 PolarHBondContact O-N 2.95Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 2.89Å; A58-R61 PolarHBondContact O-N 3.01Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 2.9Å |
| 59 | I | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 177.7 | -72.8 | 169.6 | 0 | 0 | 0 | 110.8 | I30 E55 H56 R61 A62 A63 L71 T89 I90 I95 | I30-I59 HydrophobicContact CD1-CB 4.37Å; I30-I59 HydrophobicContact CD1-CG1 3.79Å; E55-I59 WeakPolarHBondContact O-CB 3.44Å; E55-I59 WeakPolarHBondContact O-CG1 3.27Å; E55-I59 PolarHBondContact O-N 3.43Å; H56-I59 PolarHBondContact O-N 3.46Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 3.21Å; I59-A62 PolarHBondContact O-N 3.32Å; I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 2.84Å; I59-L71 HydrophobicContact CB-CD1 4.26Å; I59-L71 HydrophobicContact CG1-CD1 4.3Å; I59-L71 HydrophobicContact CG2-CD1 3.83Å; I59-T89 HydrophobicContact CB-CG2 4.39Å; I59-T89 HydrophobicContact CD1-CG2 3.66Å; I59-T89 HydrophobicContact CG2-CG2 4.04Å; I59-I90 HydrophobicContact CD1-CG1 3.94Å; I59-I95 HydrophobicContact CD1-CD1 4.02Å; I59-I95 HydrophobicContact CG1-CD1 3.71Å |
| 60 | E | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.2 | -71.8 | -176.7 | 159.3 | 0 | 0 | 112.4 | H56 I57 A63 K64 | H56-E60 IonicContact CE1-OE1 3.38Å; H56-E60 PolarHBondContact CE1-OE1 3.29Å; H56-E60 IonicContact ND1-OE1 3.88Å; H56-E60 WeakPolarHBondContact O-CG 3.49Å; H56-E60 PolarHBondContact O-N 2.98Å; I57-E60 PolarHBondContact O-N 3.47Å; E60-A63 PolarHBondContact O-N 2.74Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.03Å; E60-K64 VanDerWaalsContact O-N 3.07Å |
| 61 | R | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 50.1 Ų | 50.1 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.6 | -74 | 174 | -177.2 | -178.6 | 1.6 | 111.3 | A38 R39 I57 A58 I59 A63 K64 V65 | A38-R61 HydrophobicContact CB-CB 3.78Å; R39-R61 WeakPolarHBondContact O-CD 3.49Å; R39-R61 PolarHBondContact O-NH1 2.97Å; I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CB 3.44Å; I57-R61 VanDerWaalsContact O-CG 3.27Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.44Å; A58-R61 PolarHBondContact O-N 3.01Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-R61 PolarHBondContact O-N 3.21Å; R61-A63 VanDerWaalsContact C-N 3.32Å; R61-A63 PolarHBondContact O-N 2.98Å; R61-K64 WeakPolarHBondContact O-CB 3.27Å; R61-K64 PolarHBondContact O-N 3.29Å; R61-V65 WeakPolarHBondContact O-CG2 3.44Å; R61-V65 PolarHBondContact O-N 3.07Å |
| 62 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I30 I37 A38 A58 I59 K64 V65 L66 L71 | I30-A62 HydrophobicContact CB-CB 4.22Å; I30-A62 HydrophobicContact CD1-CB 3.83Å; I30-A62 HydrophobicContact CG2-CB 3.98Å; I37-A62 HydrophobicContact CD1-CB 3.76Å; I37-A62 HydrophobicContact CG1-CB 4.18Å; A38-A62 HydrophobicContact CB-CB 3.95Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 2.9Å; I59-A62 PolarHBondContact O-N 3.32Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.01Å; A62-V65 PolarHBondContact O-N 3.29Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 2.91Å; A62-L71 HydrophobicContact CB-CD1 3.92Å; A62-L71 HydrophobicContact CB-CD2 4.05Å |
| 63 | A | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I59 E60 R61 G67 S68 L71 | I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 2.84Å; E60-A63 PolarHBondContact O-N 2.74Å; R61-A63 VanDerWaalsContact C-N 3.32Å; R61-A63 PolarHBondContact O-N 2.98Å; A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.43Å; A63-S68 WeakPolarHBondContact CA-O 3.21Å; A63-S68 VanDerWaalsContact CB-O 3.29Å; A63-S68 WeakPolarHBondContact CB-O 3.45Å; A63-S68 PolarHBondContact O-N 3.48Å; A63-L71 HydrophobicContact CB-CD2 4.16Å |
| 64 | K | 98.6 | Very high | 98.4 | Very high | 166 Ų | 166 | 52.6 Ų | 52.6 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 172.9 | -72.7 | 172.4 | -177 | 176.1 | 0 | 111.9 | E60 R61 A62 G67 | E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.03Å; E60-K64 VanDerWaalsContact O-N 3.07Å; R61-K64 WeakPolarHBondContact O-CB 3.27Å; R61-K64 PolarHBondContact O-N 3.29Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.01Å; K64-G67 PolarHBondContact O-N 3.46Å |
| 65 | V | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 178.8 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | I37 R61 A62 | I37-V65 HydrophobicContact CB-CG1 4.2Å; R61-V65 WeakPolarHBondContact O-CG2 3.44Å; R61-V65 PolarHBondContact O-N 3.07Å; A62-V65 PolarHBondContact O-N 3.29Å |
| 66 | L | 98.2 | Very high | 98.4 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -83.6 | -9 | -179.8 | -62.9 | -176.9 | 0 | 0 | 0 | 114.1 | K32 I37 A62 S68 L71 | K32-L66 HydrophobicContact CD-CD1 4.1Å; K32-L66 HydrophobicContact CD-CD2 3.77Å; I37-L66 HydrophobicContact CD1-CD1 4Å; I37-L66 HydrophobicContact CD1-CD2 4.31Å; I37-L66 HydrophobicContact CD1-CG 4.07Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 2.91Å; L66-S68 PolarHBondContact O-N 2.75Å; L66-L71 HydrophobicContact CD1-CD2 3.84Å |
| 67 | G | 98.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 75% | 0.753 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 26.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A63 K64 | A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.43Å; K64-G67 PolarHBondContact O-N 3.46Å |
| 68 | S | 98.2 | Very high | 98.4 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -150.9 | 135.9 | -172.5 | 172.3 | 0 | 0 | 0 | 0 | 111 | A63 L66 R70 | A63-S68 WeakPolarHBondContact CA-O 3.21Å; A63-S68 VanDerWaalsContact CB-O 3.29Å; A63-S68 WeakPolarHBondContact CB-O 3.45Å; A63-S68 PolarHBondContact O-N 3.48Å; L66-S68 PolarHBondContact O-N 2.75Å; S68-R70 PolarHBondContact O-N 3.09Å; S68-R70 WeakPolarHBondContact OG-CB 3.25Å; S68-R70 PolarHBondContact OG-N 2.99Å; S68-R70 PolarHBondContact OG-O 3.28Å; S68-R70 VanDerWaalsContact OG-O 3.07Å |
| 69 | W | 98.2 | Very high | 98.4 | Very high | 140 Ų | 140 | 51.2 Ų | 51.2 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -72.8 | -17.1 | 170 | 65 | -97.4 | 0 | 0 | 0 | 112.9 | M92 R94 | W69-M92 WeakPolarHBondContact CZ3-O 3.44Å; W69-R94 HydrophobicContact CZ3-CG 4.36Å |
| 70 | R | 98.4 | Very high | 98.4 | Very high | 105 Ų | 105 | 51.6 Ų | 51.6 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | trans | -84.9 | 112.2 | 173.5 | -60.5 | -176.4 | 178.6 | 84.8 | -3.9 | 108.9 | S68 E72 | S68-R70 PolarHBondContact O-N 3.09Å; S68-R70 WeakPolarHBondContact OG-CB 3.25Å; S68-R70 PolarHBondContact OG-N 2.99Å; S68-R70 PolarHBondContact OG-O 3.28Å; S68-R70 VanDerWaalsContact OG-O 3.07Å; R70-E72 VanDerWaalsContact C-N 3.29Å; R70-E72 HydrophobicContact CB-CG 4.44Å; R70-E72 PolarHBondContact O-N 3.32Å | ||
| 71 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -98.4 | 42.3 | 178.5 | -56 | -173.6 | 0 | 0 | 0 | 111 | I30 I59 A62 A63 L66 C74 S93 I95 | I30-L71 HydrophobicContact CD1-CD1 4.29Å; I59-L71 HydrophobicContact CB-CD1 4.26Å; I59-L71 HydrophobicContact CG1-CD1 4.3Å; I59-L71 HydrophobicContact CG2-CD1 3.83Å; A62-L71 HydrophobicContact CB-CD1 3.92Å; A62-L71 HydrophobicContact CB-CD2 4.05Å; A63-L71 HydrophobicContact CB-CD2 4.16Å; L66-L71 HydrophobicContact CD1-CD2 3.84Å; L71-C74 HydrophobicContact CB-CB 4.17Å; L71-C74 WeakPolarHBondContact O-CB 3.27Å; L71-C74 PolarHBondContact O-N 3.43Å; L71-C74 PolarHBondContact O-SG 3.39Å; L71-C74 VanDerWaalsContact O-SG 3.36Å; L71-S93 PolarHBondContact N-O 3.01Å; L71-I95 HydrophobicContact CB-CD1 4.44Å; L71-I95 HydrophobicContact CB-CG1 3.68Å; L71-I95 HydrophobicContact CD1-CD1 3.85Å; L71-I95 HydrophobicContact CD1-CG1 3.98Å; L71-I95 HydrophobicContact CG-CG1 4.42Å | ||
| 72 | E | 97.2 | Very high | 98.4 | Very high | 99 Ų | 99 | 42.2 Ų | 42.2 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 142.7 | 175 | -66.1 | 175.2 | -170.4 | 0 | 0 | 109.6 | R70 C74 R94 | R70-E72 VanDerWaalsContact C-N 3.29Å; R70-E72 HydrophobicContact CB-CG 4.44Å; R70-E72 PolarHBondContact O-N 3.32Å; E72-C74 PolarHBondContact O-N 3.06Å; E72-R94 HydrophobicContact CG-CB 4.12Å; E72-R94 VanDerWaalsContact OE1-CD 3.24Å; E72-R94 WeakPolarHBondContact OE1-CD 3.48Å; E72-R94 IonicContact OE1-CZ 2.69Å; E72-R94 IonicContact OE1-NE 3.82Å; E72-R94 IonicContact OE1-NH1 2.63Å; E72-R94 PolarHBondContact OE1-NH1 2.75Å |
| 73 | G | 96.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 2.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 74 | C | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 157.6 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 113 | I30 T31 L71 E72 P96 | I30-C74 HydrophobicContact CG2-CB 3.83Å; T31-C74 CarbonylContact O-C 3.47Å; T31-C74 WeakPolarHBondContact O-CA 3.32Å; T31-C74 WeakPolarHBondContact O-CB 3.4Å; L71-C74 HydrophobicContact CB-CB 4.17Å; L71-C74 WeakPolarHBondContact O-CB 3.27Å; L71-C74 PolarHBondContact O-N 3.43Å; L71-C74 PolarHBondContact O-SG 3.39Å; L71-C74 VanDerWaalsContact O-SG 3.36Å; E72-C74 PolarHBondContact O-N 3.06Å; C74-P96 WeakPolarHBondContact O-CD 3.5Å; C74-P96 WeakPolarHBondContact O-CG 3.37Å |
| 75 | T | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.8 | 165.6 | -60.8 | 0 | 0 | 0 | 0 | 109.9 | I30 T31 Y77 R97 V99 | I30-T75 VanDerWaalsContact CA-O 3.32Å; I30-T75 WeakPolarHBondContact CA-O 3.33Å; T31-T75 PolarHBondContact N-O 3.33Å; T31-T75 PolarHBondContact O-N 3.24Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE1 4.24Å; T75-Y77 HydrophobicContact CG2-CE2 3.44Å; T75-Y77 VanDerWaalsContact CG2-CE2 3.44Å; T75-R97 WeakPolarHBondContact CA-O 3.41Å; T75-R97 HydrophobicContact CG2-CB 4.09Å; T75-R97 HydrophobicContact CG2-CG 3.94Å; T75-V99 HydrophobicContact CG2-CG2 3.88Å |
| 76 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.5 | 171.5 | 172.4 | 65.3 | 0 | 0 | 0 | 110.2 | A28 I30 E55 I90 I95 R97 V98 V99 | A28-L76 HydrophobicContact CB-CD1 4.07Å; I30-L76 HydrophobicContact CD1-CD1 4.23Å; I30-L76 HydrophobicContact CG1-CB 4.36Å; I30-L76 HydrophobicContact CG1-CD1 3.67Å; E55-L76 HydrophobicContact CB-CD2 4.13Å; E55-L76 HydrophobicContact CG-CD2 4.21Å; L76-I90 HydrophobicContact CD2-CD1 3.58Å; L76-I90 HydrophobicContact CD2-CG1 3.69Å; L76-I95 HydrophobicContact CB-CD1 4.16Å; L76-I95 HydrophobicContact CB-CG2 4.11Å; L76-R97 PolarHBondContact N-O 2.88Å; L76-V98 HydrophobicContact CB-CG2 4.42Å; L76-V98 HydrophobicContact CD2-CG1 4.45Å; L76-V98 HydrophobicContact CD2-CG2 4.47Å; L76-V98 CarbonylContact O-C 3.53Å; L76-V98 WeakPolarHBondContact O-CA 3.48Å; L76-V99 PolarHBondContact O-N 2.99Å |
| 77 | Y | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.1 | 169 | -61.6 | -91.5 | 0 | 0 | 0 | 108.9 | D4 F7 A28 I29 T31 T75 R97 V99 | D4-Y77 HydrophobicContact CB-CE1 3.96Å; D4-Y77 VanDerWaalsContact OD1-CE1 3.23Å; D4-Y77 WeakPolarHBondContact OD1-CE1 3.5Å; D4-Y77 PolarHBondContact OD1-OH 3.39Å; F7-Y77 HydrophobicContact CB-CD1 3.75Å; F7-Y77 HydrophobicContact CB-CD2 3.58Å; F7-Y77 HydrophobicContact CB-CE1 3.85Å; F7-Y77 HydrophobicContact CB-CE2 3.65Å; F7-Y77 HydrophobicContact CB-CG 3.63Å; F7-Y77 HydrophobicContact CD2-CD2 4.39Å; F7-Y77 HydrophobicContact CD2-CE1 4.19Å; F7-Y77 AromaticContact CD2-CE2 3.59Å; F7-Y77 HydrophobicContact CD2-CE2 3.59Å; F7-Y77 AromaticContact CD2-CZ 3.48Å; F7-Y77 VanDerWaalsContact CD2-CZ 3.48Å; F7-Y77 WeakPolarHBondContact CD2-OH 3.49Å; F7-Y77 HydrophobicContact CE2-CE2 4.46Å; F7-Y77 HydrophobicContact CG-CD2 4.14Å; F7-Y77 HydrophobicContact CG-CE1 4.5Å; F7-Y77 AromaticContact CG-CE2 3.79Å; F7-Y77 HydrophobicContact CG-CE2 3.79Å; F7-Y77 AromaticContact CG-CZ 4Å; A28-Y77 CarbonylContact C-O 3.55Å; A28-Y77 WeakPolarHBondContact CA-O 3.24Å; I29-Y77 PolarHBondContact N-O 3.21Å; I29-Y77 PolarHBondContact O-N 3Å; T31-Y77 HydrophobicContact CG2-CD2 4.21Å; T31-Y77 HydrophobicContact CG2-CE2 3.88Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE1 4.24Å; T75-Y77 HydrophobicContact CG2-CE2 3.44Å; T75-Y77 VanDerWaalsContact CG2-CE2 3.44Å; Y77-R97 PolarHBondContact OH-NH1 2.99Å; Y77-V99 CarbonylContact C-O 3.58Å; Y77-V99 VanDerWaalsContact CA-O 3.29Å; Y77-V99 WeakPolarHBondContact CA-O 3.26Å; Y77-V99 HydrophobicContact CD1-CB 3.56Å; Y77-V99 HydrophobicContact CD1-CG1 3.9Å; Y77-V99 HydrophobicContact CD1-CG2 3.93Å; Y77-V99 HydrophobicContact CE1-CB 3.75Å; Y77-V99 HydrophobicContact CE1-CG1 4.04Å; Y77-V99 HydrophobicContact CE1-CG2 3.6Å; Y77-V99 HydrophobicContact CG-CB 4.38Å |
| 78 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136 | -180 | 59.8 | 0 | 0 | 0 | 0 | 112 | M8 I26 G27 A28 E55 L80 P82 V98 V99 Y100 G101 | M8-V78 WeakPolarHBondContact CE-O 3.35Å; I26-V78 HydrophobicContact CG2-CG2 3.99Å; G27-V78 WeakPolarHBondContact O-CA 3.33Å; A28-V78 HydrophobicContact CB-CB 4.43Å; A28-V78 HydrophobicContact CB-CG2 4.41Å; E55-V78 HydrophobicContact CG-CB 4.05Å; E55-V78 HydrophobicContact CG-CG1 4.4Å; E55-V78 HydrophobicContact CG-CG2 3.59Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 WeakPolarHBondContact CG1-O 3.35Å; V78-L80 WeakPolarHBondContact CG2-O 3.49Å; V78-L80 PolarHBondContact O-N 3.39Å; V78-P82 HydrophobicContact CG1-CG 4.06Å; V78-V98 HydrophobicContact CG1-CG1 4.46Å; V78-V99 PolarHBondContact N-O 2.92Å; V78-Y100 CarbonylContact O-C 3.48Å; V78-Y100 WeakPolarHBondContact O-CA 3.31Å; V78-Y100 WeakPolarHBondContact O-CB 3.29Å; V78-G101 PolarHBondContact O-N 3.05Å |
| 79 | T | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -22.1 | -175.4 | 51.5 | 0 | 0 | 0 | 0 | 115 | M8 A11 I12 A15 I26 G27 A102 C137 | M8-T79 HydrophobicContact SD-CG2 4.16Å; A11-T79 HydrophobicContact CB-CG2 3.86Å; I12-T79 HydrophobicContact CG1-CG2 3.91Å; A15-T79 HydrophobicContact CB-CG2 4.1Å; I26-T79 WeakPolarHBondContact CA-OG1 3.3Å; G27-T79 PolarHBondContact N-OG1 3.34Å; G27-T79 PolarHBondContact O-N 2.8Å; G27-T79 PolarHBondContact O-OG1 3.14Å; T79-A102 PolarHBondContact O-N 3.29Å; T79-C137 WeakPolarHBondContact O-CB 3.18Å |
| 80 | L | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 25 Ų | 25 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.4 | 177.9 | -175.8 | 61.1 | 0 | 0 | 0 | 110 | I26 V78 A102 D104 L141 | I26-L80 HydrophobicContact CD1-CB 4.08Å; I26-L80 HydrophobicContact CD1-CD2 3.49Å; I26-L80 VanDerWaalsContact CD1-CD2 3.49Å; I26-L80 HydrophobicContact CD1-CG 4.4Å; I26-L80 HydrophobicContact CG1-CB 4.11Å; I26-L80 HydrophobicContact CG1-CD2 4.18Å; I26-L80 HydrophobicContact CG2-CB 4.33Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 WeakPolarHBondContact CG1-O 3.35Å; V78-L80 WeakPolarHBondContact CG2-O 3.49Å; V78-L80 PolarHBondContact O-N 3.39Å; L80-A102 CarbonylContact C-O 2.95Å; L80-A102 HydrophobicContact CD1-CB 3.9Å; L80-D104 HydrophobicContact CD1-CB 3.79Å; L80-D104 HydrophobicContact CD2-CB 4.3Å; L80-D104 HydrophobicContact CG-CB 4Å; L80-L141 HydrophobicContact CB-CD1 4.37Å; L80-L141 HydrophobicContact CD1-CD1 3.62Å; L80-L141 HydrophobicContact CD2-CD1 4.06Å; L80-L141 HydrophobicContact CD2-CD2 4.41Å; L80-L141 HydrophobicContact CG-CD1 4.22Å |
| 81 | E | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | trans | -50.7 | 129 | 174.4 | -171.6 | -173.1 | 166.3 | 0 | 0 | 111.9 | C83 Y100 A102 D104 G108 C109 S110 G111 S112 | E81-C83 PolarHBondContact O-N 2.82Å; E81-Y100 HydrophobicContact CB-CD2 3.92Å; E81-Y100 HydrophobicContact CB-CE2 3.83Å; E81-Y100 HydrophobicContact CB-CG 4.37Å; E81-Y100 HydrophobicContact CG-CD1 4.49Å; E81-Y100 HydrophobicContact CG-CD2 4.44Å; E81-Y100 HydrophobicContact CG-CE1 4.12Å; E81-Y100 HydrophobicContact CG-CE2 4.09Å; E81-A102 PolarHBondContact N-O 2.98Å; E81-D104 HydrophobicContact CB-CB 4.01Å; E81-D104 PolarHBondContact OE2-N 3.25Å; E81-G108 VanDerWaalsContact CD-CA 3.41Å; E81-G108 WeakPolarHBondContact OE1-CA 3.22Å; E81-C109 PolarHBondContact OE1-N 2.69Å; E81-S110 VanDerWaalsContact OE1-C 3.3Å; E81-S110 WeakPolarHBondContact OE1-CA 3.46Å; E81-S110 PolarHBondContact OE1-N 3.35Å; E81-G111 PolarHBondContact OE1-N 3.01Å; E81-S112 PolarHBondContact OE1-N 2.69Å; E81-S112 WeakPolarHBondContact OE2-CB 3.22Å; E81-S112 PolarHBondContact OE2-OG 3.23Å | ||
| 82 | P | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -58.5 | 132.7 | -178.7 | -26.9 | 33.2 | 0 | 0 | 0 | 113.6 | E55 V78 C86 A87 I90 V98 C109 | E55-P82 WeakPolarHBondContact OE1-CA 3.29Å; V78-P82 HydrophobicContact CG1-CG 4.06Å; P82-C86 HydrophobicContact CB-CB 4.02Å; P82-A87 HydrophobicContact CB-CB 4.44Å; P82-I90 HydrophobicContact CB-CD1 3.94Å; P82-I90 HydrophobicContact CG-CD1 3.8Å; P82-V98 HydrophobicContact CG-CG1 4.19Å; P82-C109 PolarHBondContact O-N 3.31Å | ||
| 83 | C | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 175.8 | 172.6 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | E81 M85 C86 A87 G107 | E81-C83 PolarHBondContact O-N 2.82Å; C83-M85 VanDerWaalsContact C-N 3.29Å; C83-M85 PolarHBondContact O-N 3.3Å; C83-C86 PolarHBondContact O-N 2.89Å; C83-A87 VanDerWaalsContact O-CB 3.26Å; C83-A87 WeakPolarHBondContact O-CB 3.48Å; C83-A87 PolarHBondContact O-N 2.88Å; C83-G107 VanDerWaalsContact CA-O 3.3Å; C83-G107 WeakPolarHBondContact CA-O 3.24Å |
| 84 | V | 98.3 | Very high | 98.6 | Very high | 91 Ų | 91 | 23.9 Ų | 23.9 | 55% | 0.552 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -50 | -45.1 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | G88 C109 L116 | V84-G88 PolarHBondContact O-N 2.97Å; V84-C109 VanDerWaalsContact CA-SG 3.59Å; V84-C109 PolarHBondContact N-SG 3.04Å; V84-C109 VanDerWaalsContact N-SG 3.44Å; V84-L116 HydrophobicContact CG2-CD1 3.99Å |
| 85 | M | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 24.1 Ų | 24.1 | 26% | 0.261 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.9 | -49.6 | -179.6 | 175.8 | -172.9 | 73.6 | 0 | 0 | 111.4 | T51 H53 C83 G88 T89 | T51-M85 HydrophobicContact CG2-SD 3.75Å; H53-M85 HydrophobicContact CB-CE 3.95Å; H53-M85 WeakPolarHBondContact ND1-CE 3.16Å; C83-M85 VanDerWaalsContact C-N 3.29Å; C83-M85 PolarHBondContact O-N 3.3Å; M85-G88 PolarHBondContact O-N 3.5Å; M85-T89 PolarHBondContact O-N 3.37Å; M85-T89 PolarHBondContact O-OG1 3.29Å |
| 86 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | -178.3 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | E55 P82 C83 G88 T89 I90 | E55-C86 HydrophobicContact CB-CB 3.93Å; E55-C86 HydrophobicContact CG-CB 4.07Å; E55-C86 VanDerWaalsContact OE1-CB 3.26Å; E55-C86 WeakPolarHBondContact OE1-CB 3.38Å; E55-C86 PolarHBondContact OE1-SG 2.94Å; E55-C86 VanDerWaalsContact OE1-SG 3.4Å; E55-C86 PolarHBondContact OE2-SG 3.06Å; P82-C86 HydrophobicContact CB-CB 4.02Å; C83-C86 PolarHBondContact O-N 2.89Å; C86-G88 PolarHBondContact O-N 3.39Å; C86-T89 WeakPolarHBondContact O-CB 3.49Å; C86-T89 PolarHBondContact O-N 2.83Å; C86-I90 WeakPolarHBondContact O-CD1 3.46Å; C86-I90 WeakPolarHBondContact O-CG1 3.41Å; C86-I90 PolarHBondContact O-N 3.25Å |
| 87 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P82 C83 T89 I90 V91 C109 L116 L117 | P82-A87 HydrophobicContact CB-CB 4.44Å; C83-A87 VanDerWaalsContact O-CB 3.26Å; C83-A87 WeakPolarHBondContact O-CB 3.48Å; C83-A87 PolarHBondContact O-N 2.88Å; A87-T89 VanDerWaalsContact C-N 3.34Å; A87-T89 PolarHBondContact O-N 2.71Å; A87-I90 PolarHBondContact O-N 2.54Å; A87-V91 WeakPolarHBondContact O-CG2 3.36Å; A87-V91 PolarHBondContact O-N 3.15Å; A87-V91 VanDerWaalsContact O-N 3.12Å; A87-C109 HydrophobicContact CB-CB 4.1Å; A87-L116 HydrophobicContact CB-CB 3.94Å; A87-L116 HydrophobicContact CB-CD1 4.13Å; A87-L117 HydrophobicContact CB-CD2 3.93Å; A87-L117 HydrophobicContact CB-CG 4.34Å; A87-L117 WeakPolarHBondContact O-CD2 3.29Å |
| 88 | G | 98.1 | Very high | 98.5 | Very high | 30 Ų | 30 | 28 Ų | 28 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60 | -43 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V84 M85 C86 I90 V91 M92 | V84-G88 PolarHBondContact O-N 2.97Å; M85-G88 PolarHBondContact O-N 3.5Å; C86-G88 PolarHBondContact O-N 3.39Å; G88-I90 PolarHBondContact O-N 3.19Å; G88-V91 PolarHBondContact O-N 3.42Å; G88-M92 WeakPolarHBondContact O-CB 3.17Å; G88-M92 VanDerWaalsContact O-CG 3.24Å; G88-M92 WeakPolarHBondContact O-CG 3.47Å; G88-M92 PolarHBondContact O-N 3.12Å |
| 89 | T | 98.5 | Very high | 98.5 | Very high | 28 Ų | 28 | 28 Ų | 28 | 17% | 0.172 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 112 | I59 M85 C86 A87 M92 S93 | I59-T89 HydrophobicContact CB-CG2 4.39Å; I59-T89 HydrophobicContact CD1-CG2 3.66Å; I59-T89 HydrophobicContact CG2-CG2 4.04Å; M85-T89 PolarHBondContact O-N 3.37Å; M85-T89 PolarHBondContact O-OG1 3.29Å; C86-T89 WeakPolarHBondContact O-CB 3.49Å; C86-T89 PolarHBondContact O-N 2.83Å; A87-T89 VanDerWaalsContact C-N 3.34Å; A87-T89 PolarHBondContact O-N 2.71Å; T89-M92 PolarHBondContact O-N 3.11Å; T89-S93 WeakPolarHBondContact O-CB 3.4Å; T89-S93 PolarHBondContact O-N 3.37Å; T89-S93 PolarHBondContact O-OG 3.37Å |
| 90 | I | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 174.9 | -70 | 158.9 | 0 | 0 | 0 | 110.9 | I59 L76 P82 C86 A87 G88 M92 S93 R94 I95 V98 L117 A126 | I59-I90 HydrophobicContact CD1-CG1 3.94Å; L76-I90 HydrophobicContact CD2-CD1 3.58Å; L76-I90 HydrophobicContact CD2-CG1 3.69Å; P82-I90 HydrophobicContact CB-CD1 3.94Å; P82-I90 HydrophobicContact CG-CD1 3.8Å; C86-I90 WeakPolarHBondContact O-CD1 3.46Å; C86-I90 WeakPolarHBondContact O-CG1 3.41Å; C86-I90 PolarHBondContact O-N 3.25Å; A87-I90 PolarHBondContact O-N 2.54Å; G88-I90 PolarHBondContact O-N 3.19Å; I90-M92 PolarHBondContact O-N 2.77Å; I90-S93 WeakPolarHBondContact CA-OG 3.34Å; I90-S93 PolarHBondContact O-N 3.27Å; I90-S93 PolarHBondContact O-OG 3.44Å; I90-S93 VanDerWaalsContact O-OG 3.11Å; I90-R94 PolarHBondContact O-N 3.17Å; I90-R94 VanDerWaalsContact O-N 3.15Å; I90-I95 HydrophobicContact CG2-CB 4.21Å; I90-I95 PolarHBondContact O-N 2.9Å; I90-V98 HydrophobicContact CD1-CG2 4.03Å; I90-V98 HydrophobicContact CG1-CG2 4.42Å; I90-V98 HydrophobicContact CG2-CG2 3.57Å; I90-L117 HydrophobicContact CB-CD2 3.8Å; I90-L117 HydrophobicContact CD1-CD1 4.41Å; I90-L117 HydrophobicContact CD1-CD2 4.2Å; I90-L117 HydrophobicContact CG2-CD2 3.57Å; I90-A126 HydrophobicContact CG2-CB 4.41Å |
| 91 | V | 98.2 | Very high | 98.5 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A87 G88 S93 R94 L117 F122 | A87-V91 WeakPolarHBondContact O-CG2 3.36Å; A87-V91 PolarHBondContact O-N 3.15Å; A87-V91 VanDerWaalsContact O-N 3.12Å; G88-V91 PolarHBondContact O-N 3.42Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.4Å; V91-R94 PolarHBondContact O-N 2.9Å; V91-L117 HydrophobicContact CG2-CD2 4.13Å; V91-F122 HydrophobicContact CG1-CB 4.22Å; V91-F122 HydrophobicContact CG1-CD2 4.16Å; V91-F122 HydrophobicContact CG1-CG 4.11Å; V91-F122 HydrophobicContact CG2-CD2 4.17Å |
| 92 | M | 98.1 | Very high | 98.5 | Very high | 146 Ų | 146 | 27 Ų | 27 | 72% | 0.719 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -67.4 | -31.4 | -178.2 | -66.9 | -63.9 | -80.1 | 0 | 0 | 113 | W69 G88 T89 I90 R94 | W69-M92 WeakPolarHBondContact CZ3-O 3.44Å; G88-M92 WeakPolarHBondContact O-CB 3.17Å; G88-M92 VanDerWaalsContact O-CG 3.24Å; G88-M92 WeakPolarHBondContact O-CG 3.47Å; G88-M92 PolarHBondContact O-N 3.12Å; T89-M92 PolarHBondContact O-N 3.11Å; I90-M92 PolarHBondContact O-N 2.77Å; M92-R94 VanDerWaalsContact C-N 3.33Å |
| 93 | S | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -84.8 | -4.4 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | L71 T89 I90 V91 I95 | L71-S93 PolarHBondContact N-O 3.01Å; T89-S93 WeakPolarHBondContact O-CB 3.4Å; T89-S93 PolarHBondContact O-N 3.37Å; T89-S93 PolarHBondContact O-OG 3.37Å; I90-S93 WeakPolarHBondContact CA-OG 3.34Å; I90-S93 PolarHBondContact O-N 3.27Å; I90-S93 PolarHBondContact O-OG 3.44Å; I90-S93 VanDerWaalsContact O-OG 3.11Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.4Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 3.36Å |
| 94 | R | 98.3 | Very high | 98.4 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 23% | 0.234 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 28.7 | 179.1 | -49.2 | -176.6 | 172.5 | -160.4 | -13 | 114.6 | W69 E72 I90 V91 M92 P96 H124 | W69-R94 HydrophobicContact CZ3-CG 4.36Å; E72-R94 HydrophobicContact CG-CB 4.12Å; E72-R94 VanDerWaalsContact OE1-CD 3.24Å; E72-R94 WeakPolarHBondContact OE1-CD 3.48Å; E72-R94 IonicContact OE1-CZ 2.69Å; E72-R94 IonicContact OE1-NE 3.82Å; E72-R94 IonicContact OE1-NH1 2.63Å; E72-R94 PolarHBondContact OE1-NH1 2.75Å; I90-R94 PolarHBondContact O-N 3.17Å; I90-R94 VanDerWaalsContact O-N 3.15Å; V91-R94 PolarHBondContact O-N 2.9Å; M92-R94 VanDerWaalsContact C-N 3.33Å; R94-P96 VanDerWaalsContact O-CD 3.22Å; R94-P96 WeakPolarHBondContact O-CD 3.32Å; R94-H124 PolarHBondContact NE-NE2 2.85Å; R94-H124 PolarHBondContact NH2-NE2 2.83Å |
| 95 | I | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | trans | -63 | 119.5 | 173.5 | -69.9 | 178.3 | 0 | 0 | 0 | 108.5 | I30 I59 L71 L76 I90 S93 R97 V98 | I30-I95 HydrophobicContact CD1-CD1 3.99Å; I59-I95 HydrophobicContact CD1-CD1 4.02Å; I59-I95 HydrophobicContact CG1-CD1 3.71Å; L71-I95 HydrophobicContact CB-CD1 4.44Å; L71-I95 HydrophobicContact CB-CG1 3.68Å; L71-I95 HydrophobicContact CD1-CD1 3.85Å; L71-I95 HydrophobicContact CD1-CG1 3.98Å; L71-I95 HydrophobicContact CG-CG1 4.42Å; L76-I95 HydrophobicContact CB-CD1 4.16Å; L76-I95 HydrophobicContact CB-CG2 4.11Å; I90-I95 HydrophobicContact CG2-CB 4.21Å; I90-I95 PolarHBondContact O-N 2.9Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 3.36Å; I95-R97 WeakPolarHBondContact CG2-O 3.42Å; I95-V98 HydrophobicContact CG2-CG2 4.39Å | ||
| 96 | P | 98 | Very high | 98.2 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -76.4 | -21.2 | -174.4 | 29.6 | -37.7 | 0 | 0 | 0 | 113.9 | C74 R94 A126 I127 | C74-P96 WeakPolarHBondContact O-CD 3.5Å; C74-P96 WeakPolarHBondContact O-CG 3.37Å; R94-P96 VanDerWaalsContact O-CD 3.22Å; R94-P96 WeakPolarHBondContact O-CD 3.32Å; P96-A126 CarbonylContact O-C 3.51Å; P96-A126 WeakPolarHBondContact O-CA 3.49Å; P96-I127 PolarHBondContact O-N 3.36Å |
| 97 | R | 98.3 | Very high | 98.1 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 133 | -176.3 | -173.2 | -179.5 | 177.1 | -125.2 | 1.6 | 112 | D4 T75 L76 Y77 I95 V99 I127 D129 | D4-R97 IonicContact OD1-CZ 3.97Å; D4-R97 IonicContact OD1-NH1 3.17Å; D4-R97 PolarHBondContact OD1-NH1 3.45Å; D4-R97 IonicContact OD1-NH2 3.83Å; D4-R97 PolarHBondContact OD1-NH2 2.86Å; D4-R97 VanDerWaalsContact OD1-NH2 3.13Å; D4-R97 IonicContact OD2-CZ 2.85Å; D4-R97 IonicContact OD2-NH1 2.76Å; D4-R97 IonicContact OD2-NH2 2.76Å; D4-R97 PolarHBondContact OD2-NH2 2.8Å; T75-R97 WeakPolarHBondContact CA-O 3.41Å; T75-R97 HydrophobicContact CG2-CB 4.09Å; T75-R97 HydrophobicContact CG2-CG 3.94Å; L76-R97 PolarHBondContact N-O 2.88Å; Y77-R97 PolarHBondContact OH-NH1 2.99Å; I95-R97 WeakPolarHBondContact CG2-O 3.42Å; R97-V99 HydrophobicContact CG-CG2 4.37Å; R97-I127 CarbonylContact C-O 3.52Å; R97-I127 WeakPolarHBondContact CA-O 3.39Å; R97-I127 HydrophobicContact CG-CB 4.39Å; R97-D129 IonicContact CZ-OD2 2.9Å; R97-D129 IonicContact NE-OD2 3.13Å; R97-D129 PolarHBondContact NE-OD2 2.78Å; R97-D129 IonicContact NH2-OD2 2.74Å; R97-D129 PolarHBondContact NH2-OD2 3Å |
| 98 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.3 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | L76 V78 P82 I90 I95 L117 A126 I127 V128 D129 | L76-V98 HydrophobicContact CB-CG2 4.42Å; L76-V98 HydrophobicContact CD2-CG1 4.45Å; L76-V98 HydrophobicContact CD2-CG2 4.47Å; L76-V98 CarbonylContact O-C 3.53Å; L76-V98 WeakPolarHBondContact O-CA 3.48Å; V78-V98 HydrophobicContact CG1-CG1 4.46Å; P82-V98 HydrophobicContact CG-CG1 4.19Å; I90-V98 HydrophobicContact CD1-CG2 4.03Å; I90-V98 HydrophobicContact CG1-CG2 4.42Å; I90-V98 HydrophobicContact CG2-CG2 3.57Å; I95-V98 HydrophobicContact CG2-CG2 4.39Å; V98-L117 HydrophobicContact CB-CD1 4.06Å; V98-L117 HydrophobicContact CG1-CD1 4.23Å; V98-L117 HydrophobicContact CG2-CD1 3.89Å; V98-A126 HydrophobicContact CG2-CB 4.04Å; V98-I127 PolarHBondContact N-O 2.97Å; V98-V128 WeakPolarHBondContact O-CA 3.39Å; V98-D129 PolarHBondContact O-N 3.26Å |
| 99 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.8 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | D4 M8 T75 L76 Y77 V78 R97 D129 V132 | D4-V99 HydrophobicContact CB-CG1 4.5Å; M8-V99 HydrophobicContact CE-CG1 4.25Å; T75-V99 HydrophobicContact CG2-CG2 3.88Å; L76-V99 PolarHBondContact O-N 2.99Å; Y77-V99 CarbonylContact C-O 3.58Å; Y77-V99 VanDerWaalsContact CA-O 3.29Å; Y77-V99 WeakPolarHBondContact CA-O 3.26Å; Y77-V99 HydrophobicContact CD1-CB 3.56Å; Y77-V99 HydrophobicContact CD1-CG1 3.9Å; Y77-V99 HydrophobicContact CD1-CG2 3.93Å; Y77-V99 HydrophobicContact CE1-CB 3.75Å; Y77-V99 HydrophobicContact CE1-CG1 4.04Å; Y77-V99 HydrophobicContact CE1-CG2 3.6Å; Y77-V99 HydrophobicContact CG-CB 4.38Å; V78-V99 PolarHBondContact N-O 2.92Å; R97-V99 HydrophobicContact CG-CG2 4.37Å; V99-D129 CarbonylContact C-O 3.54Å; V99-D129 VanDerWaalsContact CA-O 3.23Å; V99-D129 WeakPolarHBondContact CA-O 3.21Å; V99-D129 HydrophobicContact CG1-CB 4.23Å; V99-D129 HydrophobicContact CG2-CB 4.17Å; V99-V132 HydrophobicContact CG1-CB 4Å; V99-V132 HydrophobicContact CG1-CG2 3.49Å; V99-V132 VanDerWaalsContact CG1-CG2 3.49Å |
| 100 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.3 | 179 | 77 | -100.4 | 0 | 0 | 0 | 114.5 | V78 E81 A102 D103 V128 D129 K130 G131 V132 | V78-Y100 CarbonylContact O-C 3.48Å; V78-Y100 WeakPolarHBondContact O-CA 3.31Å; V78-Y100 WeakPolarHBondContact O-CB 3.29Å; E81-Y100 HydrophobicContact CB-CD2 3.92Å; E81-Y100 HydrophobicContact CB-CE2 3.83Å; E81-Y100 HydrophobicContact CB-CG 4.37Å; E81-Y100 HydrophobicContact CG-CD1 4.49Å; E81-Y100 HydrophobicContact CG-CD2 4.44Å; E81-Y100 HydrophobicContact CG-CE1 4.12Å; E81-Y100 HydrophobicContact CG-CE2 4.09Å; Y100-A102 VanDerWaalsContact CD2-O 3.32Å; Y100-A102 WeakPolarHBondContact CD2-O 3.33Å; Y100-D103 VanDerWaalsContact CE2-OD1 3.29Å; Y100-D103 WeakPolarHBondContact CE2-OD1 3.38Å; Y100-D103 PolarHBondContact OH-OD1 3.43Å; Y100-V128 HydrophobicContact CD1-CG1 3.99Å; Y100-V128 HydrophobicContact CE1-CG1 3.64Å; Y100-D129 PolarHBondContact N-O 2.9Å; Y100-K130 HydrophobicContact CD1-CB 4.17Å; Y100-K130 HydrophobicContact CD2-CB 4.35Å; Y100-K130 HydrophobicContact CE1-CB 3.5Å; Y100-K130 VanDerWaalsContact CE1-CB 3.5Å; Y100-K130 HydrophobicContact CE2-CB 3.69Å; Y100-K130 CarbonylContact O-C 3.5Å; Y100-K130 VanDerWaalsContact OH-CB 3.28Å; Y100-K130 WeakPolarHBondContact OH-CB 3.28Å; Y100-K130 VanDerWaalsContact OH-CD 3.31Å; Y100-K130 WeakPolarHBondContact OH-CD 3.47Å; Y100-G131 PolarHBondContact O-N 3.35Å; Y100-V132 PolarHBondContact O-N 3.3Å |
| 101 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -84.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V78 G131 V132 | V78-G101 PolarHBondContact O-N 3.05Å; G101-G131 VanDerWaalsContact O-CA 3.3Å; G101-G131 WeakPolarHBondContact O-CA 3.36Å; G101-V132 WeakPolarHBondContact CA-O 3.38Å |
| 102 | A | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 145.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T79 L80 E81 Y100 C137 S138 L141 | T79-A102 PolarHBondContact O-N 3.29Å; L80-A102 CarbonylContact C-O 2.95Å; L80-A102 HydrophobicContact CD1-CB 3.9Å; E81-A102 PolarHBondContact N-O 2.98Å; Y100-A102 VanDerWaalsContact CD2-O 3.32Å; Y100-A102 WeakPolarHBondContact CD2-O 3.33Å; A102-C137 HydrophobicContact CB-CB 3.91Å; A102-S138 WeakPolarHBondContact CB-OG 3.38Å; A102-L141 HydrophobicContact CB-CD1 4.37Å |
| 103 | D | 98.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | trans | -74.3 | 151.2 | 167.9 | -58.9 | -59.9 | 0 | 0 | 0 | 110.1 | Y100 P105 K134 | Y100-D103 VanDerWaalsContact CE2-OD1 3.29Å; Y100-D103 WeakPolarHBondContact CE2-OD1 3.38Å; Y100-D103 PolarHBondContact OH-OD1 3.43Å; D103-P105 WeakPolarHBondContact O-CD 3.47Å; D103-K134 WeakPolarHBondContact OD2-CE 3.49Å; D103-K134 IonicContact OD2-NZ 3.85Å; D103-K134 PolarHBondContact OD2-NZ 3.36Å | ||
| 104 | D | 98.2 | Very high | 97.7 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | trans | -115.7 | 91.9 | 173.1 | -176.2 | -2.3 | 0 | 0 | 0 | 110.6 | L80 E81 K106 G107 G108 S112 | L80-D104 HydrophobicContact CD1-CB 3.79Å; L80-D104 HydrophobicContact CD2-CB 4.3Å; L80-D104 HydrophobicContact CG-CB 4Å; E81-D104 HydrophobicContact CB-CB 4.01Å; E81-D104 PolarHBondContact OE2-N 3.25Å; D104-K106 PolarHBondContact O-N 3.45Å; D104-K106 PolarHBondContact OD1-N 3.2Å; D104-G107 PolarHBondContact O-N 2.94Å; D104-G107 PolarHBondContact OD1-N 3.34Å; D104-G107 VanDerWaalsContact OD2-CA 3.31Å; D104-G107 WeakPolarHBondContact OD2-CA 3.45Å; D104-G107 PolarHBondContact OD2-N 2.86Å; D104-G108 VanDerWaalsContact O-CA 3.3Å; D104-G108 WeakPolarHBondContact O-CA 3.38Å; D104-G108 PolarHBondContact O-N 2.9Å; D104-S112 WeakPolarHBondContact O-CB 3.3Å; D104-S112 PolarHBondContact O-OG 2.88Å | ||
| 105 | P | 96.9 | Very high | 97.7 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -6.7 | -179.1 | 28.1 | -35.5 | 0 | 0 | 0 | 113.9 | D103 | D103-P105 WeakPolarHBondContact O-CD 3.47Š|
| 106 | K | 95.7 | Very high | 97.6 | Very high | 188 Ų | 188 | 42 Ų | 42 | 82% | 0.817 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -18.3 | -176.9 | -67 | -173.5 | 178.6 | -175.9 | 0 | 114.3 | D104 L113 | D104-K106 PolarHBondContact O-N 3.45Å; D104-K106 PolarHBondContact OD1-N 3.2Å; K106-L113 WeakPolarHBondContact O-CD1 3.41Å |
| 107 | G | 96.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C83 D104 C109 | C83-G107 VanDerWaalsContact CA-O 3.3Å; C83-G107 WeakPolarHBondContact CA-O 3.24Å; D104-G107 PolarHBondContact O-N 2.94Å; D104-G107 PolarHBondContact OD1-N 3.34Å; D104-G107 VanDerWaalsContact OD2-CA 3.31Å; D104-G107 WeakPolarHBondContact OD2-CA 3.45Å; D104-G107 PolarHBondContact OD2-N 2.86Å; G107-C109 PolarHBondContact O-N 3.16Å; G107-C109 PolarHBondContact O-SG 3.21Å |
| 108 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 128.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | E81 D104 L113 | E81-G108 VanDerWaalsContact CD-CA 3.41Å; E81-G108 WeakPolarHBondContact OE1-CA 3.22Å; D104-G108 VanDerWaalsContact O-CA 3.3Å; D104-G108 WeakPolarHBondContact O-CA 3.38Å; D104-G108 PolarHBondContact O-N 2.9Å; G108-L113 WeakPolarHBondContact O-CB 3.13Å; G108-L113 PolarHBondContact O-N 3.25Å |
| 109 | C | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 25.3 | -178.8 | -70 | 0 | 0 | 0 | 0 | 112.5 | E81 P82 V84 A87 G107 M114 N115 L116 | E81-C109 PolarHBondContact OE1-N 2.69Å; P82-C109 PolarHBondContact O-N 3.31Å; V84-C109 VanDerWaalsContact CA-SG 3.59Å; V84-C109 PolarHBondContact N-SG 3.04Å; V84-C109 VanDerWaalsContact N-SG 3.44Å; A87-C109 HydrophobicContact CB-CB 4.1Å; G107-C109 PolarHBondContact O-N 3.16Å; G107-C109 PolarHBondContact O-SG 3.21Å; C109-M114 CarbonylContact C-O 3.58Å; C109-M114 VanDerWaalsContact CA-O 3.29Å; C109-M114 WeakPolarHBondContact CA-O 3.18Å; C109-M114 HydrophobicContact CB-CB 4.43Å; C109-N115 CarbonylContact O-C 3.55Å; C109-L116 HydrophobicContact CB-CD1 3.92Å; C109-L116 HydrophobicContact CB-CG 4.1Å; C109-L116 PolarHBondContact O-N 3.5Å |
| 110 | S | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | 20.7 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | E81 M114 L117 | E81-S110 VanDerWaalsContact OE1-C 3.3Å; E81-S110 WeakPolarHBondContact OE1-CA 3.46Å; E81-S110 PolarHBondContact OE1-N 3.35Å; S110-M114 PolarHBondContact N-O 3.46Å; S110-L117 VanDerWaalsContact OG-CD1 3.25Å; S110-L117 WeakPolarHBondContact OG-CD1 3.29Å |
| 111 | G | 95.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 148.9 | -26 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E81 M114 | E81-G111 PolarHBondContact OE1-N 3.01Å; G111-M114 PolarHBondContact N-O 3.35Å |
| 112 | S | 97.4 | Very high | 97.1 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -68.2 | -176 | -73.2 | 0 | 0 | 0 | 0 | 114.1 | E81 D104 | E81-S112 PolarHBondContact OE1-N 2.69Å; E81-S112 WeakPolarHBondContact OE2-CB 3.22Å; E81-S112 PolarHBondContact OE2-OG 3.23Å; D104-S112 WeakPolarHBondContact O-CB 3.3Å; D104-S112 PolarHBondContact O-OG 2.88Å |
| 113 | L | 97.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -93.7 | -36.4 | 178.5 | -60.8 | -176.1 | 0 | 0 | 0 | 112.3 | K106 G108 | K106-L113 WeakPolarHBondContact O-CD1 3.41Å; G108-L113 WeakPolarHBondContact O-CB 3.13Å; G108-L113 PolarHBondContact O-N 3.25Å |
| 114 | M | 95.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | trans | -147.4 | 169.9 | 179.6 | -55.2 | -178.1 | 89.2 | 0 | 0 | 108.3 | C109 S110 G111 L116 | C109-M114 CarbonylContact C-O 3.58Å; C109-M114 VanDerWaalsContact CA-O 3.29Å; C109-M114 WeakPolarHBondContact CA-O 3.18Å; C109-M114 HydrophobicContact CB-CB 4.43Å; S110-M114 PolarHBondContact N-O 3.46Å; G111-M114 PolarHBondContact N-O 3.35Å; M114-L116 HydrophobicContact CB-CG 4.34Å; M114-L116 HydrophobicContact CE-CD2 4.48Å | ||
| 115 | N | 96.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 71.8 Ų | 71.8 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -125.4 | 63 | 175 | -171.1 | 5.1 | 0 | 0 | 0 | 111.1 | C109 L117 Q118 Q119 | C109-N115 CarbonylContact O-C 3.55Å; N115-L117 VanDerWaalsContact C-N 3.31Å; N115-L117 PolarHBondContact O-N 2.63Å; N115-Q118 PolarHBondContact ND2-OE1 2.81Å; N115-Q118 PolarHBondContact O-N 3.18Å; N115-Q119 VanDerWaalsContact O-CG 3.31Å; N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.02Å; N115-Q119 PolarHBondContact O-NE2 2.92Å |
| 116 | L | 97.5 | Very high | 96.8 | Very high | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -61 | -38 | -173.4 | -68.9 | -176.6 | 0 | 0 | 0 | 112.6 | V84 A87 C109 M114 Q118 Q119 F122 | V84-L116 HydrophobicContact CG2-CD1 3.99Å; A87-L116 HydrophobicContact CB-CB 3.94Å; A87-L116 HydrophobicContact CB-CD1 4.13Å; C109-L116 HydrophobicContact CB-CD1 3.92Å; C109-L116 HydrophobicContact CB-CG 4.1Å; C109-L116 PolarHBondContact O-N 3.5Å; M114-L116 HydrophobicContact CB-CG 4.34Å; M114-L116 HydrophobicContact CE-CD2 4.48Å; L116-Q118 PolarHBondContact O-N 2.95Å; L116-Q118 VanDerWaalsContact O-N 3.14Å; L116-Q119 HydrophobicContact CD2-CG 4.24Å; L116-Q119 PolarHBondContact O-N 2.89Å; L116-F122 HydrophobicContact CB-CE2 4.5Å; L116-F122 HydrophobicContact CD2-CE2 4.38Å; L116-F122 VanDerWaalsContact O-CD2 3.27Å; L116-F122 WeakPolarHBondContact O-CD2 3.21Å; L116-F122 WeakPolarHBondContact O-CE2 3.38Å |
| 117 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -64.7 | -19.1 | -177.7 | -62.5 | -169.8 | 0 | 0 | 0 | 114.1 | A87 I90 V91 V98 S110 N115 R125 A126 V128 | A87-L117 HydrophobicContact CB-CD2 3.93Å; A87-L117 HydrophobicContact CB-CG 4.34Å; A87-L117 WeakPolarHBondContact O-CD2 3.29Å; I90-L117 HydrophobicContact CB-CD2 3.8Å; I90-L117 HydrophobicContact CD1-CD1 4.41Å; I90-L117 HydrophobicContact CD1-CD2 4.2Å; I90-L117 HydrophobicContact CG2-CD2 3.57Å; V91-L117 HydrophobicContact CG2-CD2 4.13Å; V98-L117 HydrophobicContact CB-CD1 4.06Å; V98-L117 HydrophobicContact CG1-CD1 4.23Å; V98-L117 HydrophobicContact CG2-CD1 3.89Å; S110-L117 VanDerWaalsContact OG-CD1 3.25Å; S110-L117 WeakPolarHBondContact OG-CD1 3.29Å; N115-L117 VanDerWaalsContact C-N 3.31Å; N115-L117 PolarHBondContact O-N 2.63Å; L117-R125 CarbonylContact O-C 3.56Å; L117-R125 VanDerWaalsContact O-CA 3.26Å; L117-R125 WeakPolarHBondContact O-CA 3.32Å; L117-A126 HydrophobicContact CB-CB 4.38Å; L117-A126 PolarHBondContact O-N 3.33Å; L117-V128 HydrophobicContact CB-CG2 3.85Å; L117-V128 HydrophobicContact CD1-CG2 3.79Å; L117-V128 HydrophobicContact CG-CG2 4.48Å |
| 118 | Q | 97.2 | Very high | 97 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -125 | 17.5 | -177.8 | -58.3 | -177.3 | -40.9 | 0 | 0 | 112.8 | N115 L116 S120 V128 | N115-Q118 PolarHBondContact ND2-OE1 2.81Å; N115-Q118 PolarHBondContact O-N 3.18Å; L116-Q118 PolarHBondContact O-N 2.95Å; L116-Q118 VanDerWaalsContact O-N 3.14Å; Q118-S120 PolarHBondContact O-N 2.87Å; Q118-V128 HydrophobicContact CG-CG2 4.13Å |
| 119 | Q | 97.1 | Very high | 97 | Very high | 77 Ų | 77 | 67 Ų | 67 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | trans | -62.8 | 129.5 | 175.3 | -66.4 | -63.4 | -61.8 | 0 | 0 | 110.8 | N115 L116 N121 F122 R125 | N115-Q119 VanDerWaalsContact O-CG 3.31Å; N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.02Å; N115-Q119 PolarHBondContact O-NE2 2.92Å; L116-Q119 HydrophobicContact CD2-CG 4.24Å; L116-Q119 PolarHBondContact O-N 2.89Å; Q119-N121 PolarHBondContact O-N 2.85Å; Q119-F122 HydrophobicContact CB-CD2 3.69Å; Q119-F122 HydrophobicContact CB-CE2 3.92Å; Q119-F122 HydrophobicContact CB-CG 4.36Å; Q119-F122 HydrophobicContact CG-CD2 4.3Å; Q119-F122 HydrophobicContact CG-CE2 4.06Å; Q119-F122 PolarHBondContact O-N 3.07Å; Q119-R125 WeakPolarHBondContact O-CD 3.47Å | ||
| 120 | S | 95.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.3 | -177 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | Q118 F122 R125 | Q118-S120 PolarHBondContact O-N 2.87Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.27Å; S120-R125 PolarHBondContact O-NH1 3.43Å |
| 121 | N | 95.3 | Very high | 97 | Very high | 151 Ų | 151 | 74.6 Ų | 74.6 | 81% | 0.807 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -16.2 | -179 | -66.3 | -22.1 | 0 | 0 | 0 | 113.9 | Q119 | Q119-N121 PolarHBondContact O-N 2.85Š|
| 122 | F | 96 | Very high | 97.1 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -81.4 | 141 | 174.3 | -64.7 | -37 | 0 | 0 | 0 | 111 | V91 L116 Q119 S120 H124 R125 | V91-F122 HydrophobicContact CG1-CB 4.22Å; V91-F122 HydrophobicContact CG1-CD2 4.16Å; V91-F122 HydrophobicContact CG1-CG 4.11Å; V91-F122 HydrophobicContact CG2-CD2 4.17Å; L116-F122 HydrophobicContact CB-CE2 4.5Å; L116-F122 HydrophobicContact CD2-CE2 4.38Å; L116-F122 VanDerWaalsContact O-CD2 3.27Å; L116-F122 WeakPolarHBondContact O-CD2 3.21Å; L116-F122 WeakPolarHBondContact O-CE2 3.38Å; Q119-F122 HydrophobicContact CB-CD2 3.69Å; Q119-F122 HydrophobicContact CB-CE2 3.92Å; Q119-F122 HydrophobicContact CB-CG 4.36Å; Q119-F122 HydrophobicContact CG-CD2 4.3Å; Q119-F122 HydrophobicContact CG-CE2 4.06Å; Q119-F122 PolarHBondContact O-N 3.07Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.27Å; F122-H124 VanDerWaalsContact C-N 3.3Å; F122-H124 PolarHBondContact O-N 3.24Å; F122-R125 PolarHBondContact O-NH1 3.35Å |
| 123 | N | 94.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 74.3 Ų | 74.3 | 68% | 0.684 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -72.4 | -21.7 | 177.9 | 58 | -3.2 | 0 | 0 | 0 | 113.2 | ||
| 124 | H | 96.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 73.9 Ų | 73.9 | 25% | 0.25 | 38% | 0.376 | C | S | . | . | trans | -122.5 | 130.7 | 174.6 | -60.9 | -68.9 | 0 | 0 | 0 | 109.6 | R94 F122 | R94-H124 PolarHBondContact NE-NE2 2.85Å; R94-H124 PolarHBondContact NH2-NE2 2.83Å; F122-H124 VanDerWaalsContact C-N 3.3Å; F122-H124 PolarHBondContact O-N 3.24Å | ||
| 125 | R | 97.8 | Very high | 97.3 | Very high | 137 Ų | 137 | 76.2 Ų | 76.2 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | trans | -133.3 | 124.7 | -178.1 | -67.1 | 176.4 | -67.8 | -92.9 | 2.8 | 108.5 | L117 Q119 S120 F122 | L117-R125 CarbonylContact O-C 3.56Å; L117-R125 VanDerWaalsContact O-CA 3.26Å; L117-R125 WeakPolarHBondContact O-CA 3.32Å; Q119-R125 WeakPolarHBondContact O-CD 3.47Å; S120-R125 PolarHBondContact O-NH1 3.43Å; F122-R125 PolarHBondContact O-NH1 3.35Å | ||
| 126 | A | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | trans | -80.9 | 144.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I90 P96 V98 L117 | I90-A126 HydrophobicContact CG2-CB 4.41Å; P96-A126 CarbonylContact O-C 3.51Å; P96-A126 WeakPolarHBondContact O-CA 3.49Å; V98-A126 HydrophobicContact CG2-CB 4.04Å; L117-A126 HydrophobicContact CB-CB 4.38Å; L117-A126 PolarHBondContact O-N 3.33Å | ||
| 127 | I | 97.7 | Very high | 97.4 | Very high | 109 Ų | 109 | 75 Ų | 75 | 56% | 0.559 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.1 | 159.3 | -60.2 | 172.4 | 0 | 0 | 0 | 107 | P96 R97 V98 | P96-I127 PolarHBondContact O-N 3.36Å; R97-I127 CarbonylContact C-O 3.52Å; R97-I127 WeakPolarHBondContact CA-O 3.39Å; R97-I127 HydrophobicContact CG-CB 4.39Å; V98-I127 PolarHBondContact N-O 2.97Å |
| 128 | V | 98.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 76.9 Ų | 76.9 | 16% | 0.158 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.4 | -176.6 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | V98 Y100 L117 Q118 | V98-V128 WeakPolarHBondContact O-CA 3.39Å; Y100-V128 HydrophobicContact CD1-CG1 3.99Å; Y100-V128 HydrophobicContact CE1-CG1 3.64Å; L117-V128 HydrophobicContact CB-CG2 3.85Å; L117-V128 HydrophobicContact CD1-CG2 3.79Å; L117-V128 HydrophobicContact CG-CG2 4.48Å; Q118-V128 HydrophobicContact CG-CG2 4.13Å |
| 129 | D | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 76 Ų | 76 | 33% | 0.326 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.9 | 170.3 | -66.3 | -63.2 | 0 | 0 | 0 | 109.1 | R97 V98 V99 Y100 | R97-D129 IonicContact CZ-OD2 2.9Å; R97-D129 IonicContact NE-OD2 3.13Å; R97-D129 PolarHBondContact NE-OD2 2.78Å; R97-D129 IonicContact NH2-OD2 2.74Å; R97-D129 PolarHBondContact NH2-OD2 3Å; V98-D129 PolarHBondContact O-N 3.26Å; V99-D129 CarbonylContact C-O 3.54Å; V99-D129 VanDerWaalsContact CA-O 3.23Å; V99-D129 WeakPolarHBondContact CA-O 3.21Å; V99-D129 HydrophobicContact CG1-CB 4.23Å; V99-D129 HydrophobicContact CG2-CB 4.17Å; Y100-D129 PolarHBondContact N-O 2.9Å |
| 130 | K | 97.6 | Very high | 97.5 | Very high | 142 Ų | 142 | 73.9 Ų | 73.9 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 154.3 | -174.3 | 63.6 | -179.2 | 178.8 | -177.9 | 0 | 112.8 | Y100 | Y100-K130 HydrophobicContact CD1-CB 4.17Å; Y100-K130 HydrophobicContact CD2-CB 4.35Å; Y100-K130 HydrophobicContact CE1-CB 3.5Å; Y100-K130 VanDerWaalsContact CE1-CB 3.5Å; Y100-K130 HydrophobicContact CE2-CB 3.69Å; Y100-K130 CarbonylContact O-C 3.5Å; Y100-K130 VanDerWaalsContact OH-CB 3.28Å; Y100-K130 WeakPolarHBondContact OH-CB 3.28Å; Y100-K130 VanDerWaalsContact OH-CD 3.31Å; Y100-K130 WeakPolarHBondContact OH-CD 3.47Å |
| 131 | G | 97.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 70.5 Ų | 70.5 | 32% | 0.32 | 37% | 0.366 | S | S | . | . | trans | 86.9 | 10.5 | 170 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y100 G101 L133 K134 | Y100-G131 PolarHBondContact O-N 3.35Å; G101-G131 VanDerWaalsContact O-CA 3.3Å; G101-G131 WeakPolarHBondContact O-CA 3.36Å; G131-L133 PolarHBondContact O-N 3.02Å; G131-K134 WeakPolarHBondContact O-CB 3.43Å; G131-K134 PolarHBondContact O-N 3.48Å | ||
| 132 | V | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 116.6 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | D4 I5 M8 V99 Y100 G101 K134 | D4-V132 HydrophobicContact CB-CG1 4.35Å; D4-V132 HydrophobicContact CB-CG2 4.5Å; I5-V132 HydrophobicContact CG1-CG1 4.37Å; M8-V132 HydrophobicContact CB-CG1 3.78Å; M8-V132 HydrophobicContact CE-CB 4.31Å; M8-V132 HydrophobicContact CG-CG1 4.08Å; M8-V132 WeakPolarHBondContact CG-O 3.4Å; V99-V132 HydrophobicContact CG1-CB 4Å; V99-V132 HydrophobicContact CG1-CG2 3.49Å; V99-V132 VanDerWaalsContact CG1-CG2 3.49Å; Y100-V132 PolarHBondContact O-N 3.3Å; G101-V132 WeakPolarHBondContact CA-O 3.38Å; V132-K134 PolarHBondContact O-N 3.17Å |
| 133 | L | 98.2 | Very high | 97.8 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 37 | -172.5 | -55.8 | 179.9 | 0 | 0 | 0 | 113.1 | I5 M8 I12 G131 E135 A136 C137 | I5-L133 HydrophobicContact CG2-CD1 4.37Å; I5-L133 HydrophobicContact CG2-CD2 4.28Å; M8-L133 HydrophobicContact CB-CD1 4.03Å; M8-L133 HydrophobicContact CB-CG 4.48Å; M8-L133 HydrophobicContact CG-CB 4.03Å; M8-L133 HydrophobicContact CG-CD1 3.98Å; M8-L133 HydrophobicContact CG-CG 4.23Å; I12-L133 HydrophobicContact CD1-CB 4.16Å; I12-L133 HydrophobicContact CD1-CD1 3.87Å; G131-L133 PolarHBondContact O-N 3.02Å; L133-E135 VanDerWaalsContact C-N 3.31Å; L133-E135 PolarHBondContact O-N 3.21Å; L133-A136 HydrophobicContact CB-CB 4.37Å; L133-A136 PolarHBondContact O-N 3.27Å; L133-A136 VanDerWaalsContact O-N 3.17Å; L133-C137 PolarHBondContact O-N 2.95Å; L133-C137 PolarHBondContact O-SG 3.22Å; L133-C137 VanDerWaalsContact O-SG 3.35Å |
| 134 | K | 98.4 | Very high | 97.9 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -49.7 | -46.7 | -177.3 | 179 | 166.4 | 174 | 171.1 | 0 | 113.7 | D103 G131 V132 C137 S138 | D103-K134 WeakPolarHBondContact OD2-CE 3.49Å; D103-K134 IonicContact OD2-NZ 3.85Å; D103-K134 PolarHBondContact OD2-NZ 3.36Å; G131-K134 WeakPolarHBondContact O-CB 3.43Å; G131-K134 PolarHBondContact O-N 3.48Å; V132-K134 PolarHBondContact O-N 3.17Å; K134-C137 PolarHBondContact O-N 3.45Å; K134-S138 VanDerWaalsContact O-CB 3.27Å; K134-S138 WeakPolarHBondContact O-CB 3.27Å; K134-S138 PolarHBondContact O-N 3.07Å; K134-S138 PolarHBondContact O-OG 3.1Å |
| 135 | E | 98.4 | Very high | 97.9 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | -177.9 | -174.7 | 179.3 | -179.7 | 0 | 0 | 111.7 | L133 C137 S138 T139 | L133-E135 VanDerWaalsContact C-N 3.31Å; L133-E135 PolarHBondContact O-N 3.21Å; E135-C137 PolarHBondContact O-N 2.8Å; E135-S138 PolarHBondContact O-N 3.49Å; E135-T139 VanDerWaalsContact O-CB 3.29Å; E135-T139 WeakPolarHBondContact O-CB 3.23Å; E135-T139 PolarHBondContact O-N 2.98Å; E135-T139 PolarHBondContact O-OG1 2.96Å |
| 136 | A | 98.5 | Very high | 97.9 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I12 L133 T139 L140 | I12-A136 HydrophobicContact CD1-CB 3.92Å; L133-A136 HydrophobicContact CB-CB 4.37Å; L133-A136 PolarHBondContact O-N 3.27Å; L133-A136 VanDerWaalsContact O-N 3.17Å; A136-T139 PolarHBondContact O-N 3.2Å; A136-L140 PolarHBondContact O-N 3.26Å |
| 137 | C | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.6 | -63 | 0 | 0 | 0 | 0 | 112.5 | T79 A102 L133 K134 E135 T139 L140 L141 | T79-C137 WeakPolarHBondContact O-CB 3.18Å; A102-C137 HydrophobicContact CB-CB 3.91Å; L133-C137 PolarHBondContact O-N 2.95Å; L133-C137 PolarHBondContact O-SG 3.22Å; L133-C137 VanDerWaalsContact O-SG 3.35Å; K134-C137 PolarHBondContact O-N 3.45Å; E135-C137 PolarHBondContact O-N 2.8Å; C137-T139 VanDerWaalsContact C-N 3.32Å; C137-T139 PolarHBondContact O-N 2.88Å; C137-L140 PolarHBondContact O-N 3.5Å; C137-L141 PolarHBondContact O-N 3.19Å |
| 138 | S | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 66.6 Ų | 66.6 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -36 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | A102 K134 E135 L141 T142 | A102-S138 WeakPolarHBondContact CB-OG 3.38Å; K134-S138 VanDerWaalsContact O-CB 3.27Å; K134-S138 WeakPolarHBondContact O-CB 3.27Å; K134-S138 PolarHBondContact O-N 3.07Å; K134-S138 PolarHBondContact O-OG 3.1Å; E135-S138 PolarHBondContact O-N 3.49Å; S138-L141 PolarHBondContact O-N 2.91Å; S138-T142 WeakPolarHBondContact O-CB 3.12Å; S138-T142 PolarHBondContact O-N 3.22Å; S138-T142 PolarHBondContact O-OG1 3.49Å |
| 139 | T | 98.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 178.2 | -62 | 0 | 0 | 0 | 0 | 111.8 | E135 A136 C137 T142 T143 | E135-T139 VanDerWaalsContact O-CB 3.29Å; E135-T139 WeakPolarHBondContact O-CB 3.23Å; E135-T139 PolarHBondContact O-N 2.98Å; E135-T139 PolarHBondContact O-OG1 2.96Å; A136-T139 PolarHBondContact O-N 3.2Å; C137-T139 VanDerWaalsContact C-N 3.32Å; C137-T139 PolarHBondContact O-N 2.88Å; T139-T142 PolarHBondContact O-N 2.9Å; T139-T143 WeakPolarHBondContact O-CB 3.14Å; T139-T143 PolarHBondContact O-N 3.16Å; T139-T143 PolarHBondContact O-OG1 3.49Å |
| 140 | L | 97.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 71.7 Ų | 71.7 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 174.2 | -72.2 | 172.3 | 0 | 0 | 0 | 111.4 | I12 A15 K16 P25 A136 C137 T143 F144 | I12-L140 HydrophobicContact CG1-CD1 4.28Å; I12-L140 HydrophobicContact CG2-CD1 4.16Å; A15-L140 HydrophobicContact CB-CD1 3.83Å; K16-L140 HydrophobicContact CG-CD2 4.18Å; P25-L140 HydrophobicContact CB-CB 4.38Å; P25-L140 HydrophobicContact CG-CB 4.26Å; A136-L140 PolarHBondContact O-N 3.26Å; C137-L140 PolarHBondContact O-N 3.5Å; L140-T143 PolarHBondContact O-N 2.83Å; L140-F144 WeakPolarHBondContact O-CB 3.22Å; L140-F144 PolarHBondContact O-N 2.76Å |
| 141 | L | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | -179.9 | -71.1 | 160.8 | 0 | 0 | 0 | 111.6 | V24 P25 I26 L80 A102 C137 S138 T143 F144 F145 | V24-L141 HydrophobicContact CG1-CD2 3.86Å; P25-L141 HydrophobicContact CG-CD2 4.08Å; P25-L141 HydrophobicContact CG-CG 4.44Å; I26-L141 HydrophobicContact CG1-CD2 4.26Å; L80-L141 HydrophobicContact CB-CD1 4.37Å; L80-L141 HydrophobicContact CD1-CD1 3.62Å; L80-L141 HydrophobicContact CD2-CD1 4.06Å; L80-L141 HydrophobicContact CD2-CD2 4.41Å; L80-L141 HydrophobicContact CG-CD1 4.22Å; A102-L141 HydrophobicContact CB-CD1 4.37Å; C137-L141 PolarHBondContact O-N 3.19Å; S138-L141 PolarHBondContact O-N 2.91Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 2.85Å; L141-F144 PolarHBondContact O-N 2.76Å; L141-F145 HydrophobicContact CB-CE2 4.49Å; L141-F145 HydrophobicContact CD2-CE2 4.21Å; L141-F145 WeakPolarHBondContact O-CD2 3.47Å; L141-F145 PolarHBondContact O-N 3.21Å |
| 142 | T | 97.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 75.4 Ų | 75.4 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | S138 T139 K146 | S138-T142 WeakPolarHBondContact O-CB 3.12Å; S138-T142 PolarHBondContact O-N 3.22Å; S138-T142 PolarHBondContact O-OG1 3.49Å; T139-T142 PolarHBondContact O-N 2.9Å; T142-K146 VanDerWaalsContact O-CB 3.27Å; T142-K146 WeakPolarHBondContact O-CB 3.37Å; T142-K146 PolarHBondContact O-N 2.74Å |
| 143 | T | 97.5 | Very high | 96 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | T139 L140 L141 K146 N147 | T139-T143 WeakPolarHBondContact O-CB 3.14Å; T139-T143 PolarHBondContact O-N 3.16Å; T139-T143 PolarHBondContact O-OG1 3.49Å; L140-T143 PolarHBondContact O-N 2.83Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 2.85Å; T143-K146 PolarHBondContact O-N 3.21Å; T143-N147 VanDerWaalsContact O-CG 3.26Å; T143-N147 PolarHBondContact O-N 3.35Å |
| 144 | F | 97.4 | Very high | 95.2 | Very high | 28 Ų | 28 | 84.2 Ų | 84.2 | 12% | 0.123 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58 | -52.3 | 178.2 | 175.9 | -98.2 | 0 | 0 | 0 | 112.1 | E23 V24 P25 L140 L141 K146 N147 L148 | E23-F144 WeakPolarHBondContact O-CE2 3.44Å; E23-F144 WeakPolarHBondContact O-CZ 3.05Å; V24-F144 HydrophobicContact CB-CE1 4.46Å; V24-F144 HydrophobicContact CG2-CE1 4.09Å; P25-F144 VanDerWaalsContact CD-CG 3.42Å; P25-F144 HydrophobicContact CG-CB 3.64Å; P25-F144 HydrophobicContact CG-CD1 4.49Å; P25-F144 HydrophobicContact CG-CD2 4.49Å; P25-F144 HydrophobicContact CG-CG 3.99Å; L140-F144 WeakPolarHBondContact O-CB 3.22Å; L140-F144 PolarHBondContact O-N 2.76Å; L141-F144 PolarHBondContact O-N 2.76Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 2.91Å; F144-N147 PolarHBondContact O-N 3.21Å; F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 WeakPolarHBondContact O-CB 3.07Å; F144-L148 PolarHBondContact O-N 2.91Å |
| 145 | F | 96.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 85.2 Ų | 85.2 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -29.3 | -179.7 | -68.5 | -59.9 | 0 | 0 | 0 | 113 | V24 L141 L148 R149 | V24-F145 HydrophobicContact CG1-CZ 4.15Å; V24-F145 HydrophobicContact CG2-CZ 4.39Å; L141-F145 HydrophobicContact CB-CE2 4.49Å; L141-F145 HydrophobicContact CD2-CE2 4.21Å; L141-F145 WeakPolarHBondContact O-CD2 3.47Å; L141-F145 PolarHBondContact O-N 3.21Å; F145-L148 HydrophobicContact CD1-CD2 4.32Å; F145-R149 WeakPolarHBondContact O-CG 3.27Å; F145-R149 VanDerWaalsContact O-CZ 3.28Å; F145-R149 PolarHBondContact O-N 2.9Å; F145-R149 VanDerWaalsContact O-N 3.12Å; F145-R149 PolarHBondContact O-NE 3.37Å; F145-R149 PolarHBondContact O-NH1 3.46Å |
| 146 | K | 96.6 | Very high | 92.2 | Very high | 138 Ų | 138 | 86.5 Ų | 86.5 | 60% | 0.6 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.6 | -47.1 | 171.7 | -176.6 | -178.3 | 176.9 | -176.4 | 0 | 110.9 | T142 T143 F144 R149 A150 | T142-K146 VanDerWaalsContact O-CB 3.27Å; T142-K146 WeakPolarHBondContact O-CB 3.37Å; T142-K146 PolarHBondContact O-N 2.74Å; T143-K146 PolarHBondContact O-N 3.21Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 2.91Å; K146-R149 PolarHBondContact O-N 3.4Å; K146-A150 PolarHBondContact O-N 3.23Å |
| 147 | N | 95.6 | Very high | 91.9 | Very high | 86 Ų | 86 | 88.5 Ų | 88.5 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 178.5 | -67.2 | -10.4 | 0 | 0 | 0 | 111.7 | T143 F144 R149 A150 N151 | T143-N147 VanDerWaalsContact O-CG 3.26Å; T143-N147 PolarHBondContact O-N 3.35Å; F144-N147 PolarHBondContact O-N 3.21Å; N147-R149 VanDerWaalsContact C-N 3.32Å; N147-R149 PolarHBondContact O-N 3.19Å; N147-A150 PolarHBondContact O-N 2.76Å; N147-A150 VanDerWaalsContact O-N 3.13Å; N147-N151 VanDerWaalsContact O-CG 3.29Å; N147-N151 PolarHBondContact O-N 3.09Å |
| 148 | L | 93.5 | Very high | 91.6 | Very high | 96 Ų | 96 | 93.1 Ų | 93.1 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 176 | -169.8 | 70.4 | 0 | 0 | 0 | 111.8 | F144 F145 K152 | F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 WeakPolarHBondContact O-CB 3.07Å; F144-L148 PolarHBondContact O-N 2.91Å; F145-L148 HydrophobicContact CD1-CD2 4.32Å; L148-K152 PolarHBondContact O-N 2.9Å; L148-K152 VanDerWaalsContact O-N 3.15Å |
| 149 | R | 95.3 | Very high | 91.2 | Very high | 147 Ų | 147 | 96 Ų | 96 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 175.4 | -73.5 | -175 | -62.1 | -93.4 | 2 | 112.7 | F145 K146 N147 K153 | F145-R149 WeakPolarHBondContact O-CG 3.27Å; F145-R149 VanDerWaalsContact O-CZ 3.28Å; F145-R149 PolarHBondContact O-N 2.9Å; F145-R149 VanDerWaalsContact O-N 3.12Å; F145-R149 PolarHBondContact O-NE 3.37Å; F145-R149 PolarHBondContact O-NH1 3.46Å; K146-R149 PolarHBondContact O-N 3.4Å; N147-R149 VanDerWaalsContact C-N 3.32Å; N147-R149 PolarHBondContact O-N 3.19Å; R149-K153 WeakPolarHBondContact O-CG 3.42Å; R149-K153 PolarHBondContact O-N 3.03Å |
| 150 | A | 94.7 | Very high | 90.8 | Very high | 48 Ų | 48 | 97.4 Ų | 97.4 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K146 N147 K152 K153 S154 | K146-A150 PolarHBondContact O-N 3.23Å; N147-A150 PolarHBondContact O-N 2.76Å; N147-A150 VanDerWaalsContact O-N 3.13Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 3.13Å; A150-K153 WeakPolarHBondContact O-CB 3.31Å; A150-K153 PolarHBondContact O-N 3.27Å; A150-K153 VanDerWaalsContact O-N 3.1Å; A150-S154 PolarHBondContact O-N 2.91Å; A150-S154 PolarHBondContact O-OG 2.95Å |
| 151 | N | 91 | Very high | 90.3 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 179.6 | -67.4 | -10.6 | 0 | 0 | 0 | 112.6 | N147 K153 S154 T155 | N147-N151 VanDerWaalsContact O-CG 3.29Å; N147-N151 PolarHBondContact O-N 3.09Å; N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 3.18Å; N151-S154 PolarHBondContact O-N 3.29Å; N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 3.35Å |
| 152 | K | 89.4 | Confident | 89.8 | Confident | 145 Ų | 145 | 106.7 Ų | 106.7 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -30.8 | 175.3 | -169.3 | 175 | -177.8 | 176.1 | 0 | 112.9 | L148 A150 T155 | L148-K152 PolarHBondContact O-N 2.9Å; L148-K152 VanDerWaalsContact O-N 3.15Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 3.13Å; K152-T155 WeakPolarHBondContact CA-OG1 3.23Å; K152-T155 PolarHBondContact O-OG1 2.77Å |
| 153 | K | 86.8 | Confident | 89.3 | Confident | 168 Ų | 168 | 107.8 Ų | 107.8 | 73% | 0.73 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.1 | -28.7 | 175.3 | -75.6 | -177.3 | 176.3 | -170.8 | 0 | 112.9 | R149 A150 N151 T155 | R149-K153 WeakPolarHBondContact O-CG 3.42Å; R149-K153 PolarHBondContact O-N 3.03Å; A150-K153 WeakPolarHBondContact O-CB 3.31Å; A150-K153 PolarHBondContact O-N 3.27Å; A150-K153 VanDerWaalsContact O-N 3.1Å; N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 3.18Å; K153-T155 VanDerWaalsContact C-N 3.33Å |
| 154 | S | 81.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 111 Ų | 111 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -81.5 | -13.2 | 178.5 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | A150 N151 | A150-S154 PolarHBondContact O-N 2.91Å; A150-S154 PolarHBondContact O-OG 2.95Å; N151-S154 PolarHBondContact O-N 3.29Å |
| 155 | T | 75.2 | Confident | 87.9 | Confident | 114 Ų | 114 | 117.9 Ų | 117.9 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | trans | -105.4 | -2.5 | -178 | 38.2 | 0 | 0 | 0 | 0 | 113.6 | N151 K152 K153 | N151-T155 PolarHBondContact O-N 2.94Å; N151-T155 PolarHBondContact O-OG1 3.35Å; K152-T155 WeakPolarHBondContact CA-OG1 3.23Å; K152-T155 PolarHBondContact O-OG1 2.77Å; K153-T155 VanDerWaalsContact C-N 3.33Å | ||
| 156 | N | 59.2 | Low | 87.1 | Confident | 184 Ų | 184 | 121.4 Ų | 121.4 | 98% | 0.984 | 62% | 0.622 | S | S | * | * | trans | -114.3 | 0 | 174 | -77.5 | -4.9 | 0 | 0 | 0 | 109.9 |
Retrieved 156 of 156 residues in 123 ms
(Link to these results)