| 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 | 56.5 | Low | 91.4 | Very high | 236 Ų | 236 | 89.8 Ų | 89.8 | 100% | 1.163 | 43% | 0.429 | S | S | * | . | 0 | 133.1 | 0 | -79.1 | -174.8 | -102.1 | 0 | 0 | 108.5 | |||||
| 2 | S | 82.8 | Confident | 91.9 | Very high | 76 Ų | 76 | 82.7 Ų | 82.7 | 53% | 0.531 | 40% | 0.395 | S | S | . | . | trans | -79.5 | 122.4 | 178.8 | -172.5 | 0 | 0 | 0 | 0 | 110 | R7 | S2-R7 WeakPolarHBondContact OG-CG 3.44Š| ||
| 3 | T | 94 | Very high | 92.2 | Very high | 38 Ų | 38 | 79.5 Ų | 79.5 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | trans | -77.5 | 160.7 | -179.4 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | A5 R6 R7 E61 | T3-A5 VanDerWaalsContact C-N 3.26Å; T3-A5 PolarHBondContact O-N 3.01Å; T3-R6 PolarHBondContact O-N 3.02Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.49Å; T3-R6 PolarHBondContact OG1-N 3.43Å; T3-R7 PolarHBondContact O-N 3.36Å; T3-E61 WeakPolarHBondContact CB-OE2 3.27Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.46Å; T3-E61 PolarHBondContact OG1-OE2 2.82Å | ||
| 4 | P | 96 | Very high | 92.5 | Very high | 93 Ų | 93 | 82.2 Ų | 82.2 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52.8 | -43 | 172.5 | -26.2 | 35.5 | 0 | 0 | 0 | 112.9 | R7 R8 | P4-R7 PolarHBondContact O-N 2.96Å; P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 3.05Å |
| 5 | A | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T3 R7 R8 L9 M34 Y63 | T3-A5 VanDerWaalsContact C-N 3.26Å; T3-A5 PolarHBondContact O-N 3.01Å; A5-R7 PolarHBondContact O-N 3.47Å; A5-R8 WeakPolarHBondContact O-CB 3.49Å; A5-R8 PolarHBondContact O-N 3.22Å; A5-R8 VanDerWaalsContact O-N 3.15Å; A5-L9 WeakPolarHBondContact O-CG 3.2Å; A5-L9 PolarHBondContact O-N 2.86Å; A5-M34 HydrophobicContact CB-CE 4.09Å; A5-Y63 WeakPolarHBondContact CA-O 3.41Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.25Å |
| 6 | R | 96.1 | Very high | 92.8 | Very high | 100 Ų | 100 | 81.2 Ų | 81.2 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -40 | 178.1 | -67.5 | 175 | -172.9 | -131.1 | -0.2 | 112.6 | T3 R8 L9 M10 I33 M34 E61 | T3-R6 PolarHBondContact O-N 3.02Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.49Å; T3-R6 PolarHBondContact OG1-N 3.43Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.01Å; R6-L9 PolarHBondContact O-N 3.31Å; R6-M10 WeakPolarHBondContact O-CG 3.25Å; R6-M10 PolarHBondContact O-N 3.26Å; R6-I33 HydrophobicContact CB-CG2 4.49Å; R6-I33 HydrophobicContact CG-CG2 3.83Å; R6-M34 HydrophobicContact CG-CE 3.7Å; R6-E61 IonicContact CZ-OE1 3.85Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 2.71Å; R6-E61 IonicContact NH2-OE1 3.51Å |
| 7 | R | 96.5 | Very high | 92.8 | Very high | 159 Ų | 159 | 83.8 Ų | 83.8 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 173.6 | -72.5 | -173.2 | -71.9 | -171.4 | -1.2 | 111.8 | S2 T3 P4 A5 R11 | S2-R7 WeakPolarHBondContact OG-CG 3.44Å; T3-R7 PolarHBondContact O-N 3.36Å; P4-R7 PolarHBondContact O-N 2.96Å; A5-R7 PolarHBondContact O-N 3.47Å; R7-R11 PolarHBondContact O-N 3.04Å |
| 8 | R | 97.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 86.7 Ų | 86.7 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 174 | 172.2 | 65.4 | -166.5 | -96.5 | -8.5 | 111 | P4 A5 R6 M10 R11 D12 Y63 P64 P98 Y100 | P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 3.05Å; A5-R8 WeakPolarHBondContact O-CB 3.49Å; A5-R8 PolarHBondContact O-N 3.22Å; A5-R8 VanDerWaalsContact O-N 3.15Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.01Å; R8-M10 VanDerWaalsContact C-N 3.34Å; R8-M10 PolarHBondContact O-N 3.02Å; R8-R11 VanDerWaalsContact NE-NH2 3.2Å; R8-R11 WeakPolarHBondContact O-CA 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3Å; R8-D12 IonicContact CZ-OD1 3.55Å; R8-D12 IonicContact CZ-OD2 2.84Å; R8-D12 IonicContact NE-OD1 3.24Å; R8-D12 PolarHBondContact NE-OD1 3.26Å; R8-D12 IonicContact NE-OD2 3.6Å; R8-D12 IonicContact NH2-OD1 2.75Å; R8-D12 IonicContact NH2-OD2 3.54Å; R8-D12 PolarHBondContact NH2-OD2 3.03Å; R8-D12 PolarHBondContact O-N 3.12Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.43Å; R8-Y63 HydrophobicContact CG-CD1 3.79Å; R8-Y63 HydrophobicContact CG-CE1 3.41Å; R8-Y63 VanDerWaalsContact CG-CE1 3.41Å; R8-Y63 PolarHBondContact NH2-OH 3.4Å; R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.28Å; R8-P64 VanDerWaalsContact NH1-CB 3.3Å; R8-P64 VanDerWaalsContact NH1-CG 3.32Å; R8-P98 PolarHBondContact NH1-O 3.21Å; R8-Y100 PolarHBondContact NH2-O 3.11Å |
| 9 | L | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 179.8 | -70.9 | 169.4 | 0 | 0 | 0 | 113 | A5 R6 R11 D12 F13 I33 M34 W36 F59 Y63 | A5-L9 WeakPolarHBondContact O-CG 3.2Å; A5-L9 PolarHBondContact O-N 2.86Å; R6-L9 PolarHBondContact O-N 3.31Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 2.95Å; L9-D12 PolarHBondContact O-N 2.94Å; L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.11Å; L9-I33 HydrophobicContact CB-CD1 4.05Å; L9-I33 HydrophobicContact CB-CG1 4.12Å; L9-I33 HydrophobicContact CD1-CG1 4.44Å; L9-M34 HydrophobicContact CD1-SD 3.42Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; L9-W36 HydrophobicContact CB-CZ2 4.36Å; L9-W36 HydrophobicContact CD2-CZ2 4.3Å; L9-F59 HydrophobicContact CD1-CB 4.12Å; L9-F59 HydrophobicContact CD1-CD2 4.32Å; L9-F59 HydrophobicContact CD1-CG 4.11Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 3.85Å; L9-F59 HydrophobicContact CD2-CE1 3.52Å; L9-F59 HydrophobicContact CD2-CE2 3.85Å; L9-F59 HydrophobicContact CD2-CG 3.69Å; L9-F59 HydrophobicContact CD2-CZ 3.69Å; L9-Y63 HydrophobicContact CD2-CD1 3.69Å; L9-Y63 HydrophobicContact CD2-CE1 3.61Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.15Å |
| 10 | M | 95.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 87.8 Ų | 87.8 | 53% | 0.527 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 173.7 | -72 | -61.5 | -62.9 | 0 | 0 | 112.5 | R6 R8 K14 I33 | R6-M10 WeakPolarHBondContact O-CG 3.25Å; R6-M10 PolarHBondContact O-N 3.26Å; R8-M10 VanDerWaalsContact C-N 3.34Å; R8-M10 PolarHBondContact O-N 3.02Å; M10-K14 WeakPolarHBondContact O-CB 3.43Å; M10-K14 PolarHBondContact O-N 3.16Å; M10-I33 HydrophobicContact CG-CD1 3.64Å; M10-I33 HydrophobicContact SD-CD1 3.43Å; M10-I33 WeakPolarHBondContact SD-CD1 3.32Å |
| 11 | R | 96.3 | Very high | 92.9 | Very high | 153 Ų | 153 | 85.2 Ų | 85.2 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70 | -43.8 | 175.8 | -176.5 | -179.5 | 67.1 | -153.4 | 13 | 111.3 | R7 R8 L9 F13 K14 R15 | R7-R11 PolarHBondContact O-N 3.04Å; R8-R11 VanDerWaalsContact NE-NH2 3.2Å; R8-R11 WeakPolarHBondContact O-CA 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 2.95Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.86Å; R11-K14 PolarHBondContact O-N 2.82Å; R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 3.08Å |
| 12 | D | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.8 | -73.8 | 30.8 | 0 | 0 | 0 | 110.8 | R8 L9 R15 L16 Y63 D101 V102 | R8-D12 IonicContact CZ-OD1 3.55Å; R8-D12 IonicContact CZ-OD2 2.84Å; R8-D12 IonicContact NE-OD1 3.24Å; R8-D12 PolarHBondContact NE-OD1 3.26Å; R8-D12 IonicContact NE-OD2 3.6Å; R8-D12 IonicContact NH2-OD1 2.75Å; R8-D12 IonicContact NH2-OD2 3.54Å; R8-D12 PolarHBondContact NH2-OD2 3.03Å; R8-D12 PolarHBondContact O-N 3.12Å; L9-D12 PolarHBondContact O-N 2.94Å; D12-R15 PolarHBondContact O-N 2.95Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.86Å; D12-Y63 PolarHBondContact OD2-OH 3.35Å; D12-D101 WeakPolarHBondContact OD2-CA 3.46Å; D12-D101 WeakPolarHBondContact OD2-CB 3.46Å; D12-V102 HydrophobicContact CB-CB 4.47Å; D12-V102 HydrophobicContact CB-CG2 3.95Å; D12-V102 PolarHBondContact OD2-N 3.09Å |
| 13 | F | 96.5 | Very high | 95.3 | Very high | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 176.1 | -176.7 | -126.7 | 0 | 0 | 0 | 111.4 | L9 R11 R15 L16 Q17 A27 P28 W36 | L9-F13 WeakPolarHBondContact O-CB 3.31Å; L9-F13 PolarHBondContact O-N 3.11Å; R11-F13 VanDerWaalsContact C-N 3.28Å; R11-F13 PolarHBondContact O-N 2.86Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 3.21Å; F13-Q17 HydrophobicContact CD2-CG 4.26Å; F13-Q17 HydrophobicContact CE1-CG 4.45Å; F13-Q17 HydrophobicContact CE2-CG 3.94Å; F13-Q17 VanDerWaalsContact CZ-CD 3.43Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.35Å; F13-A27 HydrophobicContact CE2-CB 3.86Å; F13-A27 HydrophobicContact CZ-CB 4.47Å; F13-P28 HydrophobicContact CD1-CG 4.45Å; F13-P28 HydrophobicContact CD2-CG 4.11Å; F13-P28 HydrophobicContact CE2-CG 4.37Å; F13-P28 HydrophobicContact CG-CG 4.13Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CZ3 4.01Å; F13-W36 HydrophobicContact CG-CH2 4.13Å |
| 14 | K | 95.7 | Very high | 95.4 | Very high | 117 Ų | 117 | 74.5 Ų | 74.5 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 176.1 | -177 | 176.1 | 175.1 | 179.8 | 0 | 111.4 | M10 R11 Q17 E18 | M10-K14 WeakPolarHBondContact O-CB 3.43Å; M10-K14 PolarHBondContact O-N 3.16Å; R11-K14 PolarHBondContact O-N 2.82Å; K14-Q17 PolarHBondContact O-N 2.63Å; K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 HydrophobicContact CG-CG 4.37Å; K14-E18 IonicContact NZ-OE1 3.47Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 WeakPolarHBondContact O-CG 3.38Å; K14-E18 PolarHBondContact O-N 2.92Å |
| 15 | R | 94.8 | Very high | 95.4 | Very high | 141 Ų | 141 | 72.5 Ų | 72.5 | 53% | 0.532 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 178.4 | -172.7 | 179.7 | -175.9 | 175.2 | 3.6 | 111.9 | R11 D12 F13 Q17 E18 D19 D101 | R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact O-N 2.95Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 3.28Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 2.95Å; R15-E18 PolarHBondContact O-N 3.27Å; R15-D19 PolarHBondContact O-N 3.13Å; R15-D101 VanDerWaalsContact CD-OD2 3.28Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 3.9Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.73Å; R15-D101 IonicContact NH1-OD2 3.14Å; R15-D101 PolarHBondContact NH1-OD2 3.26Å |
| 16 | L | 94.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 178.9 | -175.9 | 62.1 | 0 | 0 | 0 | 112.5 | D12 F13 P20 G26 W36 V102 S103 L106 | D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.86Å; F13-L16 PolarHBondContact O-N 3.21Å; L16-P20 WeakPolarHBondContact O-CA 3.36Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å; L16-G26 WeakPolarHBondContact CD2-O 3.4Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; L16-V102 HydrophobicContact CD2-CG1 4.04Å; L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; L16-L106 HydrophobicContact CD2-CD1 4.41Å |
| 17 | Q | 93.2 | Very high | 95.4 | Very high | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -76.2 | -37.7 | 174.8 | -72.4 | -170.9 | -41.8 | 0 | 0 | 113.4 | F13 K14 R15 | F13-Q17 HydrophobicContact CD2-CG 4.26Å; F13-Q17 HydrophobicContact CE1-CG 4.45Å; F13-Q17 HydrophobicContact CE2-CG 3.94Å; F13-Q17 VanDerWaalsContact CZ-CD 3.43Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.35Å; K14-Q17 PolarHBondContact O-N 2.63Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 2.95Å |
| 18 | E | 94.2 | Very high | 95.5 | Very high | 136 Ų | 136 | 64.3 Ų | 64.3 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -76.3 | -35.1 | -178 | -73.8 | 177.7 | 160.3 | 0 | 0 | 112.5 | K14 R15 | K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 HydrophobicContact CG-CG 4.37Å; K14-E18 IonicContact NZ-OE1 3.47Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 WeakPolarHBondContact O-CG 3.38Å; K14-E18 PolarHBondContact O-N 2.92Å; R15-E18 PolarHBondContact O-N 3.27Å |
| 19 | D | 92.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 64.5 Ų | 64.5 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -140.7 | 72.7 | -177.8 | -172.2 | 29.1 | 0 | 0 | 0 | 110.4 | R15 P21 | R15-D19 PolarHBondContact O-N 3.13Å; D19-P21 WeakPolarHBondContact O-CD 3.38Å |
| 20 | P | 91.3 | Very high | 95.1 | Very high | 78 Ų | 78 | 73.6 Ų | 73.6 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.6 | -179.5 | 26.7 | -32.1 | 0 | 0 | 0 | 110.4 | L16 | L16-P20 WeakPolarHBondContact O-CA 3.36Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å |
| 21 | P | 94.4 | Very high | 94.9 | Very high | 34 Ų | 34 | 76.1 Ų | 76.1 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 148.9 | 173.4 | -13.5 | 25.6 | 0 | 0 | 0 | 111 | D19 G23 V24 | D19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-G23 PolarHBondContact O-N 3.28Å; P21-V24 HydrophobicContact CB-CG2 3.68Å; P21-V24 HydrophobicContact CG-CG2 3.78Å; P21-V24 PolarHBondContact O-N 3.36Å |
| 22 | A | 94.5 | Very high | 94.8 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 73% | 0.727 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 130.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | V24 Q110 | A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.29Å; A22-Q110 PolarHBondContact O-NE2 3.14Å; A22-Q110 PolarHBondContact O-OE1 3.11Å |
| 23 | G | 95.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 73.4 Ų | 73.4 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 8.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P21 F41 Q110 | P21-G23 PolarHBondContact O-N 3.28Å; G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.4Å; G23-Q110 PolarHBondContact O-NE2 2.78Å |
| 24 | V | 96.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.7 | 172.8 | -50 | 0 | 0 | 0 | 0 | 111.7 | P21 A22 V39 I40 L106 Q110 | P21-V24 HydrophobicContact CB-CG2 3.68Å; P21-V24 HydrophobicContact CG-CG2 3.78Å; P21-V24 PolarHBondContact O-N 3.36Å; A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.29Å; V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.37Å; V24-I40 HydrophobicContact CB-CG1 4.44Å; V24-I40 HydrophobicContact CG1-CG1 3.99Å; V24-I40 HydrophobicContact CG1-CG2 4.44Å; V24-L106 HydrophobicContact CB-CB 3.94Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.21Å; V24-L106 HydrophobicContact CG2-CB 4.01Å; V24-L106 HydrophobicContact CG2-CD1 4.48Å; V24-Q110 HydrophobicContact CG1-CB 4.05Å; V24-Q110 HydrophobicContact CG1-CG 4.42Å |
| 25 | S | 95.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.8 | 175.6 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | A38 V39 | S25-A38 CarbonylContact O-C 3.38Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.25Å; S25-A38 WeakPolarHBondContact O-CB 3.42Å; S25-V39 PolarHBondContact N-O 3.45Å; S25-V39 PolarHBondContact O-N 3.11Å |
| 26 | G | 96.7 | Very high | 95 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 151.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L16 N37 | L16-G26 WeakPolarHBondContact CD2-O 3.4Å; G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.43Å |
| 27 | A | 97.2 | Very high | 95.2 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 148.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F13 W36 N37 | F13-A27 HydrophobicContact CE2-CB 3.86Å; F13-A27 HydrophobicContact CZ-CB 4.47Å; A27-W36 CarbonylContact O-C 3.57Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.47Å; A27-W36 WeakPolarHBondContact O-CB 3.39Å; A27-N37 PolarHBondContact N-O 3.03Å; A27-N37 PolarHBondContact O-N 3.18Å |
| 28 | P | 97.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 148.6 | 168.9 | -9.4 | 18.5 | 0 | 0 | 0 | 111.6 | F13 I33 W36 | F13-P28 HydrophobicContact CD1-CG 4.45Å; F13-P28 HydrophobicContact CD2-CG 4.11Å; F13-P28 HydrophobicContact CE2-CG 4.37Å; F13-P28 HydrophobicContact CG-CG 4.13Å; P28-I33 HydrophobicContact CB-CG1 4.26Å; P28-I33 HydrophobicContact CG-CG1 4.38Å; P28-W36 HydrophobicContact CB-CD2 4.38Å; P28-W36 HydrophobicContact CB-CG 4.35Å; P28-W36 HydrophobicContact CG-CD2 4.11Å; P28-W36 HydrophobicContact CG-CH2 4.49Å; P28-W36 HydrophobicContact CG-CZ2 3.85Å |
| 29 | S | 95.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146.2 | 171 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | N31 N32 V35 N37 | S29-N31 PolarHBondContact O-N 2.99Å; S29-N32 PolarHBondContact O-N 3.34Å; S29-N32 VanDerWaalsContact O-N 3.1Å; S29-V35 VanDerWaalsContact CB-O 3.27Å; S29-V35 WeakPolarHBondContact CB-O 3.21Å; S29-V35 PolarHBondContact N-O 3.24Å; S29-V35 PolarHBondContact OG-O 3.31Å; S29-N37 PolarHBondContact OG-ND2 2.97Å |
| 30 | E | 91 | Very high | 95.8 | Very high | 191 Ų | 191 | 49.4 Ų | 49.4 | 89% | 0.893 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -40.1 | -173.1 | -64.5 | -177.6 | 169.1 | 0 | 0 | 113.9 | ||
| 31 | N | 91.3 | Very high | 96 | Very high | 159 Ų | 159 | 50.3 Ų | 50.3 | 85% | 0.85 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -3.2 | -172.8 | -61 | -42.8 | 0 | 0 | 0 | 114 | S29 | S29-N31 PolarHBondContact O-N 2.99Š|
| 32 | N | 94.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 104.3 | -175.4 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | S29 M34 V35 | S29-N32 PolarHBondContact O-N 3.34Å; S29-N32 VanDerWaalsContact O-N 3.1Å; N32-M34 PolarHBondContact O-N 3.27Å; N32-M34 VanDerWaalsContact O-N 3.13Å; N32-M34 WeakPolarHBondContact OD1-CB 3.33Å; N32-M34 PolarHBondContact OD1-N 3.34Å; N32-V35 PolarHBondContact O-N 3.32Å |
| 33 | I | 95.7 | Very high | 96.2 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | -19.6 | 176.6 | -163.2 | 173.5 | 0 | 0 | 0 | 113.6 | R6 L9 M10 P28 V35 W36 | R6-I33 HydrophobicContact CB-CG2 4.49Å; R6-I33 HydrophobicContact CG-CG2 3.83Å; L9-I33 HydrophobicContact CB-CD1 4.05Å; L9-I33 HydrophobicContact CB-CG1 4.12Å; L9-I33 HydrophobicContact CD1-CG1 4.44Å; M10-I33 HydrophobicContact CG-CD1 3.64Å; M10-I33 HydrophobicContact SD-CD1 3.43Å; M10-I33 WeakPolarHBondContact SD-CD1 3.32Å; P28-I33 HydrophobicContact CB-CG1 4.26Å; P28-I33 HydrophobicContact CG-CG1 4.38Å; I33-V35 VanDerWaalsContact C-N 3.25Å; I33-V35 PolarHBondContact O-N 2.96Å; I33-W36 PolarHBondContact O-NE1 3.26Å |
| 34 | M | 97.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -4 | 178 | -60.7 | -57.1 | -162.1 | 0 | 0 | 113.2 | A5 R6 L9 N32 F59 E61 | A5-M34 HydrophobicContact CB-CE 4.09Å; R6-M34 HydrophobicContact CG-CE 3.7Å; L9-M34 HydrophobicContact CD1-SD 3.42Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; N32-M34 PolarHBondContact O-N 3.27Å; N32-M34 VanDerWaalsContact O-N 3.13Å; N32-M34 WeakPolarHBondContact OD1-CB 3.33Å; N32-M34 PolarHBondContact OD1-N 3.34Å; M34-F59 HydrophobicContact CB-CB 4.47Å; M34-F59 WeakPolarHBondContact O-CD2 3.39Å; M34-F59 PolarHBondContact O-N 3.26Å; M34-F59 HydrophobicContact SD-CB 4.05Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.42Å; M34-E61 VanDerWaalsContact CE-OE2 3.24Å; M34-E61 WeakPolarHBondContact CE-OE2 3.39Å |
| 35 | V | 98.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.7 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | S29 N32 I33 I57 | S29-V35 VanDerWaalsContact CB-O 3.27Å; S29-V35 WeakPolarHBondContact CB-O 3.21Å; S29-V35 PolarHBondContact N-O 3.24Å; S29-V35 PolarHBondContact OG-O 3.31Å; N32-V35 PolarHBondContact O-N 3.32Å; I33-V35 VanDerWaalsContact C-N 3.25Å; I33-V35 PolarHBondContact O-N 2.96Å; V35-I57 CarbonylContact C-O 3.52Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å |
| 36 | W | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.8 | 179.9 | -70.8 | 41.4 | 0 | 0 | 0 | 110.8 | L9 F13 L16 A27 P28 I33 T56 I57 F59 V102 | L9-W36 HydrophobicContact CB-CZ2 4.36Å; L9-W36 HydrophobicContact CD2-CZ2 4.3Å; F13-W36 VanDerWaalsContact CA-CH2 3.45Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CZ3 4.01Å; F13-W36 HydrophobicContact CG-CH2 4.13Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; A27-W36 CarbonylContact O-C 3.57Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.47Å; A27-W36 WeakPolarHBondContact O-CB 3.39Å; P28-W36 HydrophobicContact CB-CD2 4.38Å; P28-W36 HydrophobicContact CB-CG 4.35Å; P28-W36 HydrophobicContact CG-CD2 4.11Å; P28-W36 HydrophobicContact CG-CH2 4.49Å; P28-W36 HydrophobicContact CG-CZ2 3.85Å; I33-W36 PolarHBondContact O-NE1 3.26Å; W36-T56 WeakPolarHBondContact O-CA 3.41Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.35Å; W36-I57 PolarHBondContact O-N 3.38Å; W36-F59 HydrophobicContact CB-CE2 4.21Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.42Å; W36-F59 VanDerWaalsContact CD1-CE2 3.42Å; W36-F59 HydrophobicContact CD2-CE2 4.15Å; W36-F59 AromaticContact CG-CE2 3.7Å; W36-F59 HydrophobicContact CG-CE2 3.7Å; W36-F59 AromaticContact NE1-CE2 3.72Å; W36-V102 HydrophobicContact CE3-CG1 4.01Å; W36-V102 HydrophobicContact CE3-CG2 4.41Å; W36-V102 HydrophobicContact CH2-CB 4.49Å; W36-V102 HydrophobicContact CH2-CG2 3.96Å; W36-V102 HydrophobicContact CZ2-CG2 4.45Å; W36-V102 HydrophobicContact CZ3-CB 4.16Å; W36-V102 HydrophobicContact CZ3-CG1 3.8Å; W36-V102 HydrophobicContact CZ3-CG2 3.98Å |
| 37 | N | 97.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 166.5 | -59.5 | -67.8 | 0 | 0 | 0 | 107.8 | G26 A27 S29 | G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.43Å; A27-N37 PolarHBondContact N-O 3.03Å; A27-N37 PolarHBondContact O-N 3.18Å; S29-N37 PolarHBondContact OG-ND2 2.97Å |
| 38 | A | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 158.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S25 K54 L55 I57 L106 | S25-A38 CarbonylContact O-C 3.38Å; S25-A38 WeakPolarHBondContact O-CA 3.42Å; S25-A38 VanDerWaalsContact O-CB 3.25Å; S25-A38 WeakPolarHBondContact O-CB 3.42Å; A38-K54 CarbonylContact O-C 2.88Å; A38-K54 WeakPolarHBondContact O-CA 3.43Å; A38-L55 HydrophobicContact CB-CB 4.32Å; A38-L55 PolarHBondContact N-O 3.11Å; A38-L55 PolarHBondContact O-N 3.34Å; A38-I57 HydrophobicContact CB-CD1 4.18Å; A38-L106 HydrophobicContact CB-CD1 4.06Å; A38-L106 HydrophobicContact CB-CD2 3.65Å |
| 39 | V | 97.3 | Very high | 96 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.3 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | V24 S25 F41 T52 F53 | V24-V39 CarbonylContact C-O 3.57Å; V24-V39 WeakPolarHBondContact CA-O 3.37Å; S25-V39 PolarHBondContact N-O 3.45Å; S25-V39 PolarHBondContact O-N 3.11Å; V39-F41 HydrophobicContact CG1-CE2 4.41Å; V39-F41 HydrophobicContact CG1-CZ 4.49Å; V39-T52 HydrophobicContact CG1-CG2 3.59Å; V39-F53 WeakPolarHBondContact CA-O 2.75Å |
| 40 | I | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | 171 | -66.9 | 174.8 | 0 | 0 | 0 | 107.8 | V24 F53 L55 L106 I109 Q110 L113 | V24-I40 HydrophobicContact CB-CG1 4.44Å; V24-I40 HydrophobicContact CG1-CG1 3.99Å; V24-I40 HydrophobicContact CG1-CG2 4.44Å; I40-F53 PolarHBondContact N-O 2.94Å; I40-F53 PolarHBondContact O-N 2.88Å; I40-L55 HydrophobicContact CB-CD1 4.06Å; I40-L55 HydrophobicContact CD1-CD1 3.79Å; I40-L55 HydrophobicContact CD1-CD2 4.05Å; I40-L55 HydrophobicContact CG1-CD1 3.7Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.27Å; I40-I109 HydrophobicContact CD1-CB 3.72Å; I40-I109 HydrophobicContact CD1-CG2 3.5Å; I40-I109 VanDerWaalsContact CD1-CG2 3.5Å; I40-Q110 HydrophobicContact CG2-CB 3.81Å; I40-Q110 HydrophobicContact CG2-CG 3.92Å; I40-L113 HydrophobicContact CG2-CD1 4.11Å |
| 41 | F | 97 | Very high | 96.3 | Very high | 97 Ų | 97 | 51 Ų | 51 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.3 | 167 | -66.4 | -80.2 | 0 | 0 | 0 | 109.3 | G23 V39 G51 T52 Q110 | G23-F41 WeakPolarHBondContact O-CD2 3.43Å; G23-F41 PolarHBondContact O-N 3.4Å; V39-F41 HydrophobicContact CG1-CE2 4.41Å; V39-F41 HydrophobicContact CG1-CZ 4.49Å; F41-G51 VanDerWaalsContact CA-O 3.31Å; F41-G51 WeakPolarHBondContact CA-O 3.26Å; F41-T52 HydrophobicContact CD1-CG2 4.47Å; F41-T52 HydrophobicContact CE1-CG2 3.99Å; F41-Q110 PolarHBondContact O-NE2 3.41Å |
| 42 | G | 96.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -59 | 134.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F48 G51 | G42-F48 WeakPolarHBondContact CA-O 3.35Å; G42-G51 PolarHBondContact N-O 2.88Å |
| 43 | P | 96.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 144 | -179.4 | -15.8 | 27.8 | 0 | 0 | 0 | 112 | T46 Q110 D114 | P43-T46 HydrophobicContact CB-CG2 3.78Å; P43-T46 HydrophobicContact CG-CG2 4.24Å; P43-T46 WeakPolarHBondContact O-CB 3.36Å; P43-T46 WeakPolarHBondContact O-CG2 3.33Å; P43-T46 PolarHBondContact O-N 3.3Å; P43-T46 PolarHBondContact O-OG1 3.47Å; P43-Q110 HydrophobicContact CG-CG 3.91Å; P43-D114 HydrophobicContact CG-CB 4.49Å |
| 44 | E | 95.1 | Very high | 96.9 | Very high | 176 Ų | 176 | 42.8 Ų | 42.8 | 82% | 0.822 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 142 | 174.1 | -68.1 | -176.9 | -179.3 | 0 | 0 | 111.2 | T46 | E44-T46 VanDerWaalsContact C-N 3.25Å; E44-T46 PolarHBondContact O-N 2.77Å |
| 45 | G | 94.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 73% | 0.732 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E49 | G45-E49 PolarHBondContact N-OE2 3.37Š|
| 46 | T | 95.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -109.8 | 160.3 | 177.7 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | P43 E44 F48 E49 D114 | P43-T46 HydrophobicContact CB-CG2 3.78Å; P43-T46 HydrophobicContact CG-CG2 4.24Å; P43-T46 WeakPolarHBondContact O-CB 3.36Å; P43-T46 WeakPolarHBondContact O-CG2 3.33Å; P43-T46 PolarHBondContact O-N 3.3Å; P43-T46 PolarHBondContact O-OG1 3.47Å; E44-T46 VanDerWaalsContact C-N 3.25Å; E44-T46 PolarHBondContact O-N 2.77Å; T46-F48 PolarHBondContact O-N 3.1Å; T46-F48 PolarHBondContact OG1-N 3.22Å; T46-E49 VanDerWaalsContact O-CB 3.25Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.36Å; T46-E49 PolarHBondContact OG1-N 2.91Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 VanDerWaalsContact CG2-OD1 3.26Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.36Å |
| 47 | P | 96 | Very high | 96.9 | Very high | 42 Ų | 42 | 41 Ų | 41 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -15.3 | 172.3 | -23.9 | 35.8 | 0 | 0 | 0 | 114 | Y137 E138 V141 | P47-Y137 HydrophobicContact CG-CE1 4.39Å; P47-E138 HydrophobicContact CB-CG 4.14Å; P47-E138 HydrophobicContact CG-CG 3.86Å; P47-V141 HydrophobicContact CB-CB 4.07Å; P47-V141 HydrophobicContact CB-CG1 3.92Å; P47-V141 VanDerWaalsContact O-CG1 3.24Å; P47-V141 WeakPolarHBondContact O-CG1 3.37Å |
| 48 | F | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.9 | 179.2 | -67 | -83.7 | 0 | 0 | 0 | 113.5 | G42 T46 G51 F53 M76 H78 L113 Y137 V141 | G42-F48 WeakPolarHBondContact CA-O 3.35Å; T46-F48 PolarHBondContact O-N 3.1Å; T46-F48 PolarHBondContact OG1-N 3.22Å; F48-G51 WeakPolarHBondContact O-CA 3Å; F48-G51 PolarHBondContact O-N 2.82Å; F48-F53 HydrophobicContact CB-CE2 4.09Å; F48-F53 HydrophobicContact CB-CZ 4.37Å; F48-F53 AromaticContact CD1-CE2 3.95Å; F48-F53 HydrophobicContact CD1-CE2 3.95Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.48Å; F48-M76 HydrophobicContact CD1-CE 4.45Å; F48-M76 HydrophobicContact CE1-CE 4.02Å; F48-H78 AromaticContact CE2-CD2 3.89Å; F48-H78 HydrophobicContact CZ-CB 4.25Å; F48-H78 AromaticContact CZ-CD2 3.71Å; F48-L113 HydrophobicContact CD1-CD2 4.31Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.11Å; F48-L113 HydrophobicContact CE1-CD2 4.21Å; F48-L113 HydrophobicContact CE2-CB 4.42Å; F48-L113 HydrophobicContact CE2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CE2-O 3.47Å; F48-L113 HydrophobicContact CG-CB 4.3Å; F48-L113 HydrophobicContact CZ-CD2 4.32Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.3Å; F48-V141 HydrophobicContact CD1-CG1 3.47Å; F48-V141 VanDerWaalsContact CD1-CG1 3.47Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CG1 3.44Å; F48-V141 VanDerWaalsContact CE1-CG1 3.44Å; F48-V141 HydrophobicContact CE1-CG2 4.29Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CG2 3.93Å |
| 49 | E | 96.8 | Very high | 97 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 144 | 179 | -174.1 | 171.2 | 174.1 | 0 | 0 | 111.7 | G45 T46 G51 V145 | G45-E49 PolarHBondContact N-OE2 3.37Å; T46-E49 VanDerWaalsContact O-CB 3.25Å; T46-E49 WeakPolarHBondContact O-CB 3.43Å; T46-E49 PolarHBondContact O-N 3.36Å; T46-E49 PolarHBondContact OG1-N 2.91Å; E49-G51 PolarHBondContact O-N 3.42Å; E49-V145 WeakPolarHBondContact O-CG1 3.41Å |
| 50 | D | 95.8 | Very high | 97 | Very high | 117 Ų | 117 | 43 Ų | 43 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -3.5 | -172.1 | -58.3 | -41.5 | 0 | 0 | 0 | 116.2 | W149 | D50-W149 HydrophobicContact CB-CZ2 4.24Å; D50-W149 PolarHBondContact O-NE1 2.88Å |
| 51 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -68.7 | 140.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F41 G42 F48 E49 | F41-G51 VanDerWaalsContact CA-O 3.31Å; F41-G51 WeakPolarHBondContact CA-O 3.26Å; G42-G51 PolarHBondContact N-O 2.88Å; F48-G51 WeakPolarHBondContact O-CA 3Å; F48-G51 PolarHBondContact O-N 2.82Å; E49-G51 PolarHBondContact O-N 3.42Å | ||
| 52 | T | 97.2 | Very high | 97 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.172 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 91.7 | 176 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | V39 F41 S148 | V39-T52 HydrophobicContact CG1-CG2 3.59Å; F41-T52 HydrophobicContact CD1-CG2 4.47Å; F41-T52 HydrophobicContact CE1-CG2 3.99Å; T52-S148 PolarHBondContact N-OG 2.91Å; T52-S148 WeakPolarHBondContact O-CB 3.36Å |
| 53 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 122.9 | -170.9 | -52.7 | -67.3 | 0 | 0 | 0 | 111.6 | V39 I40 F48 L55 F72 M76 L113 I144 V145 | V39-F53 WeakPolarHBondContact CA-O 2.75Å; I40-F53 PolarHBondContact N-O 2.94Å; I40-F53 PolarHBondContact O-N 2.88Å; F48-F53 HydrophobicContact CB-CE2 4.09Å; F48-F53 HydrophobicContact CB-CZ 4.37Å; F48-F53 AromaticContact CD1-CE2 3.95Å; F48-F53 HydrophobicContact CD1-CE2 3.95Å; F48-F53 AromaticContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CD1-CZ 3.73Å; F48-F53 HydrophobicContact CG-CE2 4.48Å; F53-L55 VanDerWaalsContact O-CD1 3.3Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; F53-F72 HydrophobicContact CB-CD1 3.96Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.44Å; F53-M76 HydrophobicContact CB-SD 4.31Å; F53-M76 HydrophobicContact CD1-CE 4.13Å; F53-M76 HydrophobicContact CD1-SD 3.43Å; F53-M76 WeakPolarHBondContact CD1-SD 3.4Å; F53-M76 HydrophobicContact CE1-CE 4.36Å; F53-M76 HydrophobicContact CE1-SD 3.94Å; F53-M76 HydrophobicContact CG-CE 4.23Å; F53-M76 HydrophobicContact CG-SD 3.92Å; F53-L113 HydrophobicContact CD2-CD1 4.16Å; F53-L113 HydrophobicContact CE2-CD1 4.32Å; F53-I144 HydrophobicContact CE1-CG2 4.08Å; F53-V145 HydrophobicContact CZ-CG2 4.04Å |
| 54 | K | 97.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139.8 | 178.1 | -61.4 | -178.8 | -179.3 | -173 | 0 | 110.5 | A38 V73 S74 D151 | A38-K54 CarbonylContact O-C 2.88Å; A38-K54 WeakPolarHBondContact O-CA 3.43Å; K54-V73 HydrophobicContact CB-CB 4.14Å; K54-V73 PolarHBondContact O-N 3.4Å; K54-S74 PolarHBondContact N-OG 2.61Å; K54-S74 PolarHBondContact O-N 2.92Å; K54-D151 PolarHBondContact NZ-O 2.82Å |
| 55 | L | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.5 | 178 | -54.2 | 92.8 | 0 | 0 | 0 | 110.9 | A38 I40 F53 V70 R71 F72 I87 I109 | A38-L55 HydrophobicContact CB-CB 4.32Å; A38-L55 PolarHBondContact N-O 3.11Å; A38-L55 PolarHBondContact O-N 3.34Å; I40-L55 HydrophobicContact CB-CD1 4.06Å; I40-L55 HydrophobicContact CD1-CD1 3.79Å; I40-L55 HydrophobicContact CD1-CD2 4.05Å; I40-L55 HydrophobicContact CG1-CD1 3.7Å; F53-L55 VanDerWaalsContact O-CD1 3.3Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; L55-V70 HydrophobicContact CD2-CG1 3.92Å; L55-R71 CarbonylContact C-O 3.56Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 3.28Å; L55-R71 WeakPolarHBondContact CB-O 3.44Å; L55-F72 HydrophobicContact CD1-CD1 4.22Å; L55-F72 HydrophobicContact CD1-CE1 3.98Å; L55-F72 HydrophobicContact CD2-CD1 3.9Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.68Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.27Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CD1 3.65Å; L55-F72 HydrophobicContact CG-CE1 3.75Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; L55-I87 HydrophobicContact CD2-CD1 4.06Å; L55-I109 HydrophobicContact CD2-CD1 4.26Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å |
| 56 | T | 97.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.5 | 165 | 29.8 | 0 | 0 | 0 | 0 | 109.7 | W36 R71 V73 | W36-T56 WeakPolarHBondContact O-CA 3.41Å; T56-R71 PolarHBondContact N-O 3.2Å; T56-R71 PolarHBondContact O-N 3.21Å; T56-R71 WeakPolarHBondContact OG1-CG 3.35Å; T56-R71 PolarHBondContact OG1-NE 2.92Å; T56-R71 VanDerWaalsContact OG1-NE 3.12Å; T56-V73 HydrophobicContact CG2-CG2 3.96Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.34Å |
| 57 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.8 | 175.6 | -48.3 | 172.6 | 0 | 0 | 0 | 108.3 | V35 W36 A38 F59 P68 T69 V70 V102 L106 | V35-I57 CarbonylContact C-O 3.52Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.35Å; W36-I57 PolarHBondContact O-N 3.38Å; A38-I57 HydrophobicContact CB-CD1 4.18Å; I57-F59 HydrophobicContact CB-CE2 3.98Å; I57-F59 HydrophobicContact CB-CZ 4.21Å; I57-F59 HydrophobicContact CG2-CD2 4.19Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å; I57-F59 HydrophobicContact CG2-CE2 3.46Å; I57-F59 VanDerWaalsContact CG2-CE2 3.46Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; I57-P68 HydrophobicContact CG2-CB 3.53Å; I57-P68 HydrophobicContact CG2-CG 3.84Å; I57-T69 WeakPolarHBondContact CA-O 3.48Å; I57-V70 HydrophobicContact CG1-CG1 4.18Å; I57-V70 HydrophobicContact CG1-CG2 4.35Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; I57-V102 HydrophobicContact CD1-CG1 4.02Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å |
| 58 | E | 98.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 45.9 Ų | 45.9 | 41% | 0.407 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.1 | -179.3 | -66.3 | -179.6 | -146.4 | 0 | 0 | 110.2 | P68 T69 | E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.25Å; E58-P68 WeakPolarHBondContact O-CA 3.47Å; E58-P68 VanDerWaalsContact O-CB 3.28Å; E58-P68 WeakPolarHBondContact O-CB 3.46Å; E58-T69 PolarHBondContact N-O 3.28Å; E58-T69 PolarHBondContact O-N 2.95Å |
| 59 | F | 98.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.057 | 26% | 0.259 | C | S | . | . | trans | -102.8 | 155.2 | 179.8 | -57.8 | -89.7 | 0 | 0 | 0 | 110.9 | L9 M34 W36 I57 Y63 P68 V102 | L9-F59 HydrophobicContact CD1-CB 4.12Å; L9-F59 HydrophobicContact CD1-CD2 4.32Å; L9-F59 HydrophobicContact CD1-CG 4.11Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 3.85Å; L9-F59 HydrophobicContact CD2-CE1 3.52Å; L9-F59 HydrophobicContact CD2-CE2 3.85Å; L9-F59 HydrophobicContact CD2-CG 3.69Å; L9-F59 HydrophobicContact CD2-CZ 3.69Å; M34-F59 HydrophobicContact CB-CB 4.47Å; M34-F59 WeakPolarHBondContact O-CD2 3.39Å; M34-F59 PolarHBondContact O-N 3.26Å; M34-F59 HydrophobicContact SD-CB 4.05Å; W36-F59 HydrophobicContact CB-CE2 4.21Å; W36-F59 AromaticContact CD1-CD2 3.86Å; W36-F59 AromaticContact CD1-CE2 3.42Å; W36-F59 VanDerWaalsContact CD1-CE2 3.42Å; W36-F59 HydrophobicContact CD2-CE2 4.15Å; W36-F59 AromaticContact CG-CE2 3.7Å; W36-F59 HydrophobicContact CG-CE2 3.7Å; W36-F59 AromaticContact NE1-CE2 3.72Å; I57-F59 HydrophobicContact CB-CE2 3.98Å; I57-F59 HydrophobicContact CB-CZ 4.21Å; I57-F59 HydrophobicContact CG2-CD2 4.19Å; I57-F59 HydrophobicContact CG2-CE1 3.97Å; I57-F59 HydrophobicContact CG2-CE2 3.46Å; I57-F59 VanDerWaalsContact CG2-CE2 3.46Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; F59-Y63 HydrophobicContact CD1-CD1 4.06Å; F59-Y63 AromaticContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 HydrophobicContact CD1-CE2 4.05Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.48Å; F59-Y63 HydrophobicContact CE1-CD2 4.14Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CG 4.43Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.31Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; F59-V102 HydrophobicContact CE1-CG2 4.28Å; F59-V102 HydrophobicContact CZ-CG2 3.77Å | ||
| 60 | T | 97.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | trans | -113.8 | 168.9 | 169 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | E62 Y63 | T60-E62 PolarHBondContact O-N 2.74Å; T60-E62 PolarHBondContact OG1-N 2.84Å; T60-Y63 WeakPolarHBondContact O-CB 3.42Å; T60-Y63 PolarHBondContact O-N 3.46Å | ||
| 61 | E | 97.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7 | 173.7 | -65.9 | -71 | 176.8 | 0 | 0 | 113 | T3 R6 M34 Y63 | T3-E61 WeakPolarHBondContact CB-OE2 3.27Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.46Å; T3-E61 PolarHBondContact OG1-OE2 2.82Å; R6-E61 IonicContact CZ-OE1 3.85Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 2.71Å; R6-E61 IonicContact NH2-OE1 3.51Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.42Å; M34-E61 VanDerWaalsContact CE-OE2 3.24Å; M34-E61 WeakPolarHBondContact CE-OE2 3.39Å; E61-Y63 VanDerWaalsContact C-N 3.34Å |
| 62 | E | 97.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.5 | 173.2 | -59.5 | -178.2 | -95.8 | 0 | 0 | 112.9 | T60 N65 K66 | T60-E62 PolarHBondContact O-N 2.74Å; T60-E62 PolarHBondContact OG1-N 2.84Å; E62-N65 WeakPolarHBondContact O-CA 3.25Å; E62-N65 VanDerWaalsContact O-CB 3.28Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.24Å; E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.18Å; E62-K66 HydrophobicContact CB-CG 4.1Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CD 3.41Å; E62-K66 WeakPolarHBondContact OE1-CE 3.4Å; E62-K66 IonicContact OE1-NZ 2.76Å; E62-K66 PolarHBondContact OE1-NZ 3.2Å; E62-K66 WeakPolarHBondContact OE2-CD 3.4Å; E62-K66 WeakPolarHBondContact OE2-CE 3.37Å; E62-K66 IonicContact OE2-NZ 2.82Å; E62-K66 PolarHBondContact OE2-NZ 3.49Å |
| 63 | Y | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 133.4 | 175.8 | -175.1 | -106.1 | 0 | 0 | 0 | 111.1 | A5 R8 L9 D12 F59 T60 E61 W96 Y100 | A5-Y63 WeakPolarHBondContact CA-O 3.41Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.25Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.43Å; R8-Y63 HydrophobicContact CG-CD1 3.79Å; R8-Y63 HydrophobicContact CG-CE1 3.41Å; R8-Y63 VanDerWaalsContact CG-CE1 3.41Å; R8-Y63 PolarHBondContact NH2-OH 3.4Å; L9-Y63 HydrophobicContact CD2-CD1 3.69Å; L9-Y63 HydrophobicContact CD2-CE1 3.61Å; L9-Y63 HydrophobicContact CG-CD1 3.9Å; L9-Y63 HydrophobicContact CG-CE1 4.15Å; D12-Y63 PolarHBondContact OD2-OH 3.35Å; F59-Y63 HydrophobicContact CD1-CD1 4.06Å; F59-Y63 AromaticContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CD2 3.72Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 HydrophobicContact CD1-CE2 4.05Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.48Å; F59-Y63 HydrophobicContact CE1-CD2 4.14Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CE2 3.97Å; F59-Y63 HydrophobicContact CE1-CG 4.43Å; T60-Y63 WeakPolarHBondContact O-CB 3.42Å; T60-Y63 PolarHBondContact O-N 3.46Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-W96 HydrophobicContact CD2-CZ2 4.25Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.74Å; Y63-W96 HydrophobicContact CE2-CZ2 3.74Å; Y63-Y100 PolarHBondContact OH-O 2.97Å |
| 64 | P | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 10 | 8.6 | 40.2 | -38.9 | 0 | 0 | 0 | 115.2 | R8 K66 W96 P98 | R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.28Å; R8-P64 VanDerWaalsContact NH1-CB 3.3Å; R8-P64 VanDerWaalsContact NH1-CG 3.32Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 2.99Å; P64-W96 HydrophobicContact CB-CZ2 4.45Å; P64-W96 WeakPolarHBondContact O-CZ2 3.39Å; P64-W96 PolarHBondContact O-NE1 2.81Å; P64-P98 HydrophobicContact CB-CB 4.13Å; P64-P98 HydrophobicContact CG-CB 4.06Å; P64-P98 WeakPolarHBondContact O-CA 3.35Å; P64-P98 WeakPolarHBondContact O-CB 3.32Å |
| 65 | N | 97.2 | Very high | 97.7 | Very high | 124 Ų | 124 | 53 Ų | 53 | 66% | 0.663 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -31.9 | -180 | -60.9 | -34.5 | 0 | 0 | 0 | 111.9 | E62 | E62-N65 WeakPolarHBondContact O-CA 3.25Å; E62-N65 VanDerWaalsContact O-CB 3.28Å; E62-N65 WeakPolarHBondContact O-CB 3.19Å; E62-N65 PolarHBondContact O-N 3.24Å |
| 66 | K | 96.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -108.9 | 146.1 | 167.5 | -71.7 | -169.1 | -178 | 160.7 | 0 | 111.6 | E62 P64 | E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.18Å; E62-K66 HydrophobicContact CB-CG 4.1Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CD 3.41Å; E62-K66 WeakPolarHBondContact OE1-CE 3.4Å; E62-K66 IonicContact OE1-NZ 2.76Å; E62-K66 PolarHBondContact OE1-NZ 3.2Å; E62-K66 WeakPolarHBondContact OE2-CD 3.4Å; E62-K66 WeakPolarHBondContact OE2-CE 3.37Å; E62-K66 IonicContact OE2-NZ 2.82Å; E62-K66 PolarHBondContact OE2-NZ 3.49Å; P64-K66 VanDerWaalsContact C-N 3.3Å; P64-K66 PolarHBondContact O-N 2.99Å |
| 67 | P | 97.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 153.2 | 174.4 | 27.4 | -32.3 | 0 | 0 | 0 | 110.4 | L92 W96 | P67-L92 WeakPolarHBondContact CG-O 3.27Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.73Å; P67-W96 HydrophobicContact CB-CZ3 4.28Å; P67-W96 HydrophobicContact CG-CB 4.14Å; P67-W96 HydrophobicContact CG-CD2 4.29Å; P67-W96 HydrophobicContact CG-CG 3.98Å |
| 68 | P | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 159.3 | 163.5 | 31.8 | -33.1 | 0 | 0 | 0 | 111.3 | I57 E58 F59 V70 I105 | I57-P68 HydrophobicContact CG2-CB 3.53Å; I57-P68 HydrophobicContact CG2-CG 3.84Å; E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.25Å; E58-P68 WeakPolarHBondContact O-CA 3.47Å; E58-P68 VanDerWaalsContact O-CB 3.28Å; E58-P68 WeakPolarHBondContact O-CB 3.46Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.31Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; P68-V70 HydrophobicContact CG-CG2 4.42Å; P68-I105 HydrophobicContact CG-CD1 3.71Å |
| 69 | T | 98 | Very high | 97.5 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.8 | 165.3 | -56.4 | 0 | 0 | 0 | 0 | 108.5 | I57 E58 | I57-T69 WeakPolarHBondContact CA-O 3.48Å; E58-T69 PolarHBondContact N-O 3.28Å; E58-T69 PolarHBondContact O-N 2.95Å |
| 70 | V | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.3 | 177.8 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | L55 I57 P68 I87 L92 I105 I109 | L55-V70 HydrophobicContact CD2-CG1 3.92Å; I57-V70 HydrophobicContact CG1-CG1 4.18Å; I57-V70 HydrophobicContact CG1-CG2 4.35Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; P68-V70 HydrophobicContact CG-CG2 4.42Å; V70-I87 HydrophobicContact CB-CD1 4.28Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; V70-L92 HydrophobicContact CB-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD1 3.84Å; V70-L92 HydrophobicContact CG2-CD2 4.05Å; V70-I105 HydrophobicContact CG2-CG2 4.05Å; V70-I109 HydrophobicContact CB-CD1 4.32Å; V70-I109 HydrophobicContact CG1-CD1 3.7Å; V70-I109 HydrophobicContact CG2-CD1 4.45Å |
| 71 | R | 98 | Very high | 97.4 | Very high | 111 Ų | 111 | 46.5 Ų | 46.5 | 42% | 0.419 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.1 | 174.9 | 67.6 | -176.2 | -155.6 | 161.4 | 8.6 | 111.6 | L55 T56 G85 | L55-R71 CarbonylContact C-O 3.56Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 3.28Å; L55-R71 WeakPolarHBondContact CB-O 3.44Å; T56-R71 PolarHBondContact N-O 3.2Å; T56-R71 PolarHBondContact O-N 3.21Å; T56-R71 WeakPolarHBondContact OG1-CG 3.35Å; T56-R71 PolarHBondContact OG1-NE 2.92Å; T56-R71 VanDerWaalsContact OG1-NE 3.12Å; R71-G85 CarbonylContact C-O 3.59Å; R71-G85 VanDerWaalsContact CA-O 3.25Å; R71-G85 WeakPolarHBondContact CA-O 3.34Å |
| 72 | F | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133 | 165.8 | -75 | -82.5 | 0 | 0 | 0 | 110.3 | F53 L55 M76 V81 G85 I87 I109 L113 | F53-F72 HydrophobicContact CB-CD1 3.96Å; F53-F72 HydrophobicContact CB-CE1 3.69Å; F53-F72 HydrophobicContact CG-CE1 4.44Å; L55-F72 HydrophobicContact CD1-CD1 4.22Å; L55-F72 HydrophobicContact CD1-CE1 3.98Å; L55-F72 HydrophobicContact CD2-CD1 3.9Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.68Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.27Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CD1 3.65Å; L55-F72 HydrophobicContact CG-CE1 3.75Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; F72-M76 HydrophobicContact CB-CG 3.55Å; F72-M76 HydrophobicContact CD1-CE 4.3Å; F72-M76 HydrophobicContact CD1-CG 3.73Å; F72-M76 HydrophobicContact CD1-SD 3.78Å; F72-M76 HydrophobicContact CD2-CG 3.71Å; F72-M76 HydrophobicContact CE1-CE 3.96Å; F72-M76 HydrophobicContact CE1-CG 4.33Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.3Å; F72-M76 HydrophobicContact CE2-CG 4.3Å; F72-M76 HydrophobicContact CG-CG 3.38Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 3.96Å; F72-V81 HydrophobicContact CD2-CG1 3.87Å; F72-V81 HydrophobicContact CD2-CG2 3.98Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.76Å; F72-G85 PolarHBondContact N-O 3.24Å; F72-I87 HydrophobicContact CD2-CD1 3.77Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.83Å; F72-I87 HydrophobicContact CZ-CD1 4.36Å; F72-I109 HydrophobicContact CE2-CG2 4.13Å; F72-I109 HydrophobicContact CZ-CG2 3.75Å; F72-L113 HydrophobicContact CZ-CD2 4.49Å |
| 73 | V | 97.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 48 Ų | 48 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -86.8 | -40.6 | 167.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | K54 T56 | K54-V73 HydrophobicContact CB-CB 4.14Å; K54-V73 PolarHBondContact O-N 3.4Å; T56-V73 HydrophobicContact CG2-CG2 3.96Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.34Å |
| 74 | S | 96.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -62.6 | 145.8 | 170.4 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | K54 M76 | K54-S74 PolarHBondContact N-OG 2.61Å; K54-S74 PolarHBondContact O-N 2.92Å; S74-M76 PolarHBondContact O-N 3.44Å |
| 75 | K | 96.1 | Very high | 97.1 | Very high | 131 Ų | 131 | 52 Ų | 52 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | trans | -60.6 | 137.8 | 171.1 | -170.7 | -179.9 | -179.5 | -177.9 | 0 | 109.1 | I144 | K75-I144 HydrophobicContact CB-CD1 4.35Å; K75-I144 HydrophobicContact CD-CD1 3.76Å; K75-I144 HydrophobicContact CG-CD1 3.88Å; K75-I144 WeakPolarHBondContact O-CG2 3.44Å | ||
| 76 | M | 97.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | trans | -125.8 | 150.4 | 179.9 | -67.5 | -56 | -71.7 | 0 | 0 | 112.4 | F48 F53 F72 S74 V81 L113 | F48-M76 HydrophobicContact CD1-CE 4.45Å; F48-M76 HydrophobicContact CE1-CE 4.02Å; F53-M76 HydrophobicContact CB-SD 4.31Å; F53-M76 HydrophobicContact CD1-CE 4.13Å; F53-M76 HydrophobicContact CD1-SD 3.43Å; F53-M76 WeakPolarHBondContact CD1-SD 3.4Å; F53-M76 HydrophobicContact CE1-CE 4.36Å; F53-M76 HydrophobicContact CE1-SD 3.94Å; F53-M76 HydrophobicContact CG-CE 4.23Å; F53-M76 HydrophobicContact CG-SD 3.92Å; F72-M76 HydrophobicContact CB-CG 3.55Å; F72-M76 HydrophobicContact CD1-CE 4.3Å; F72-M76 HydrophobicContact CD1-CG 3.73Å; F72-M76 HydrophobicContact CD1-SD 3.78Å; F72-M76 HydrophobicContact CD2-CG 3.71Å; F72-M76 HydrophobicContact CE1-CE 3.96Å; F72-M76 HydrophobicContact CE1-CG 4.33Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.3Å; F72-M76 HydrophobicContact CE2-CG 4.3Å; F72-M76 HydrophobicContact CG-CG 3.38Å; F72-M76 HydrophobicContact CG-SD 4.09Å; F72-M76 HydrophobicContact CZ-CE 3.96Å; S74-M76 PolarHBondContact O-N 3.44Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.73Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; M76-L113 HydrophobicContact CE-CD2 3.78Å | ||
| 77 | F | 97.2 | Very high | 97 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | trans | -131.5 | 87.7 | 168 | -169.4 | -104.4 | 0 | 0 | 0 | 109.4 | Q125 A126 L129 Y137 R140 V141 I144 | F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.36Å; F77-A126 HydrophobicContact CD1-CB 4.25Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.87Å; F77-A126 HydrophobicContact CE2-CB 4Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 VanDerWaalsContact CZ-CA 3.49Å; F77-A126 HydrophobicContact CZ-CB 3.72Å; F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.13Å; F77-Y137 AromaticContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CE2 4.09Å; F77-R140 HydrophobicContact CD1-CB 3.72Å; F77-R140 HydrophobicContact CE1-CB 3.82Å; F77-R140 HydrophobicContact CE1-CG 4.45Å; F77-R140 HydrophobicContact CG-CB 4.33Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; F77-I144 HydrophobicContact CB-CG1 3.83Å | ||
| 78 | H | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -144.7 | 140.7 | -174.4 | -175.3 | -93.3 | 0 | 0 | 0 | 110.7 | F48 N80 V81 L112 N123 | F48-H78 AromaticContact CE2-CD2 3.89Å; F48-H78 HydrophobicContact CZ-CB 4.25Å; F48-H78 AromaticContact CZ-CD2 3.71Å; H78-N80 PolarHBondContact CE1-OD1 3.3Å; H78-N80 PolarHBondContact ND1-N 3.05Å; H78-N80 PolarHBondContact O-N 3.26Å; H78-N80 VanDerWaalsContact O-N 3.11Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.8Å; H78-V81 PolarHBondContact O-N 3.46Å; H78-V81 VanDerWaalsContact O-N 3.1Å; H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 VanDerWaalsContact CE1-O 3.24Å; H78-L112 PolarHBondContact NE2-O 3.27Å; H78-N123 WeakPolarHBondContact O-CB 3.26Å | ||
| 79 | P | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -33 | -178.9 | -30.3 | 37.8 | 0 | 0 | 0 | 114.7 | P116 P121 A122 N123 A126 A127 | P79-P116 HydrophobicContact CB-CB 4.1Å; P79-P116 HydrophobicContact CG-CB 3.81Å; P79-P116 HydrophobicContact CG-CG 4.3Å; P79-P121 CarbonylContact O-C 3.59Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P79-A122 PolarHBondContact O-N 2.96Å; P79-N123 PolarHBondContact O-N 3.02Å; P79-A126 HydrophobicContact CG-CB 4.24Å; P79-A127 HydrophobicContact CB-CB 4.09Å |
| 80 | N | 96.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 14.4 | -177.8 | -53.3 | 102.6 | 0 | 0 | 0 | 114.5 | H78 C88 L112 P116 N117 | H78-N80 PolarHBondContact CE1-OD1 3.3Å; H78-N80 PolarHBondContact ND1-N 3.05Å; H78-N80 PolarHBondContact O-N 3.26Å; H78-N80 VanDerWaalsContact O-N 3.11Å; N80-C88 PolarHBondContact O-N 3.42Å; N80-L112 HydrophobicContact CB-CD1 4.08Å; N80-L112 HydrophobicContact CB-CD2 3.97Å; N80-L112 HydrophobicContact CB-CG 4.32Å; N80-P116 WeakPolarHBondContact OD1-CA 3.44Å; N80-N117 PolarHBondContact ND2-O 2.81Å; N80-N117 PolarHBondContact OD1-N 3.01Å |
| 81 | V | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -118.5 | 126.4 | 176 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | F72 M76 H78 N123 | F72-V81 HydrophobicContact CD2-CG1 3.87Å; F72-V81 HydrophobicContact CD2-CG2 3.98Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.76Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.73Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.8Å; H78-V81 PolarHBondContact O-N 3.46Å; H78-V81 VanDerWaalsContact O-N 3.1Å; V81-N123 WeakPolarHBondContact O-CB 3.48Å |
| 82 | Y | 96.5 | Very high | 96 | Very high | 109 Ų | 109 | 37.9 Ų | 37.9 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | trans | -73.2 | 163.8 | 176.9 | -71.3 | -80.7 | 0 | 0 | 0 | 111.7 | D84 G85 S86 C88 A122 | Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 3.44Å; Y82-G85 PolarHBondContact O-N 2.97Å; Y82-S86 WeakPolarHBondContact CD2-O 3.13Å; Y82-S86 PolarHBondContact N-O 2.98Å; Y82-C88 HydrophobicContact CE2-CB 4.04Å; Y82-A122 HydrophobicContact CD1-CB 3.8Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.7Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.78Å | ||
| 83 | A | 94.7 | Very high | 95.7 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 94% | 0.942 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G85 | A83-G85 VanDerWaalsContact C-N 3.31Š|
| 84 | D | 96 | Very high | 95.4 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.1 | 175.4 | 70.8 | -20.3 | 0 | 0 | 0 | 113.3 | Y82 S86 | Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 3.44Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 2.82Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; D84-S86 PolarHBondContact OD2-OG 2.9Å |
| 85 | G | 97.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 88.6 | -6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R71 F72 Y82 A83 | R71-G85 CarbonylContact C-O 3.59Å; R71-G85 VanDerWaalsContact CA-O 3.25Å; R71-G85 WeakPolarHBondContact CA-O 3.34Å; F72-G85 PolarHBondContact N-O 3.24Å; Y82-G85 PolarHBondContact O-N 2.97Å; A83-G85 VanDerWaalsContact C-N 3.31Å |
| 86 | S | 96.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -61.9 | 143.8 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | Y82 D84 | Y82-S86 WeakPolarHBondContact CD2-O 3.13Å; Y82-S86 PolarHBondContact N-O 2.98Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 2.82Å; D84-S86 PolarHBondContact OD1-OG 3.02Å; D84-S86 PolarHBondContact OD2-OG 2.9Å |
| 87 | I | 96.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 127.3 | -173.2 | -53.1 | 173.5 | 0 | 0 | 0 | 110.3 | L55 V70 F72 L89 I109 L112 | L55-I87 HydrophobicContact CD2-CD1 4.06Å; V70-I87 HydrophobicContact CB-CD1 4.28Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; F72-I87 HydrophobicContact CD2-CD1 3.77Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.83Å; F72-I87 HydrophobicContact CZ-CD1 4.36Å; I87-L89 HydrophobicContact CG2-CB 4Å; I87-L89 PolarHBondContact O-N 3Å; I87-I109 HydrophobicContact CD1-CD1 3.81Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å |
| 88 | C | 94.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 50 Ų | 50 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -88.5 | 88.7 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | N80 Y82 A122 | N80-C88 PolarHBondContact O-N 3.42Å; Y82-C88 HydrophobicContact CE2-CB 4.04Å; C88-A122 HydrophobicContact CB-CB 4.05Å | ||
| 89 | L | 93.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | trans | -129.9 | 127.7 | 177.3 | -178.8 | 64.5 | 0 | 0 | 0 | 109.4 | I87 I91 L92 I109 L112 | I87-L89 HydrophobicContact CG2-CB 4Å; I87-L89 PolarHBondContact O-N 3Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.48Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 3.57Å; L89-I91 HydrophobicContact CG-CG1 3.7Å; L89-I91 PolarHBondContact O-N 3.47Å; L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.32Å; L89-L92 HydrophobicContact CD2-CG 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.21Å; L89-L92 PolarHBondContact O-N 2.99Å; L89-I109 HydrophobicContact CD2-CG1 3.97Å; L89-L112 HydrophobicContact CB-CD2 4.44Å; L89-L112 HydrophobicContact CD1-CD2 4.31Å | ||
| 90 | D | 91.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -63 | -35.2 | -171.9 | 62.7 | -13.3 | 0 | 0 | 0 | 113.1 | L92 Q93 N94 R95 | D90-L92 PolarHBondContact O-N 3.5Å; D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 WeakPolarHBondContact O-CA 3.42Å; D90-Q93 PolarHBondContact O-N 3.33Å; D90-N94 PolarHBondContact O-N 3.08Å; D90-R95 HydrophobicContact CB-CB 4.36Å; D90-R95 HydrophobicContact CB-CG 4.17Å; D90-R95 WeakPolarHBondContact O-CB 3.4Å; D90-R95 PolarHBondContact O-N 2.9Å; D90-R95 VanDerWaalsContact OD2-CD 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.35Å; D90-R95 IonicContact OD2-CZ 3.3Å; D90-R95 IonicContact OD2-NE 3.55Å; D90-R95 IonicContact OD2-NH1 3.51Å; D90-R95 PolarHBondContact OD2-NH1 2.87Å |
| 91 | I | 94.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.3 | -23.6 | 175.1 | 69.9 | 158.7 | 0 | 0 | 0 | 112.4 | L89 W96 Y100 S108 | L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.48Å; L89-I91 HydrophobicContact CD2-CD1 4.01Å; L89-I91 HydrophobicContact CD2-CG1 3.57Å; L89-I91 HydrophobicContact CG-CG1 3.7Å; L89-I91 PolarHBondContact O-N 3.47Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 VanDerWaalsContact O-CB 3.26Å; I91-W96 WeakPolarHBondContact O-CB 3.33Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.47Å; I91-Y100 HydrophobicContact CB-CE2 4Å; I91-Y100 HydrophobicContact CG2-CE2 4.11Å; I91-S108 WeakPolarHBondContact CD1-OG 3.22Å |
| 92 | L | 94.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -85.6 | 1.9 | 173.1 | -63.7 | 177.8 | 0 | 0 | 0 | 112.5 | P67 V70 L89 D90 I105 | P67-L92 WeakPolarHBondContact CG-O 3.27Å; V70-L92 HydrophobicContact CB-CD1 3.98Å; V70-L92 HydrophobicContact CG2-CD1 3.84Å; V70-L92 HydrophobicContact CG2-CD2 4.05Å; L89-L92 HydrophobicContact CB-CD1 4.24Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.32Å; L89-L92 HydrophobicContact CD2-CG 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.21Å; L89-L92 PolarHBondContact O-N 2.99Å; D90-L92 PolarHBondContact O-N 3.5Å; L92-I105 HydrophobicContact CD2-CG1 4.47Å; L92-I105 HydrophobicContact CD2-CG2 4.11Å |
| 93 | Q | 91.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 54 Ų | 54 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -114.5 | -175.5 | -60.1 | 178.4 | 22.5 | 0 | 0 | 110.1 | D90 R95 W96 | D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 WeakPolarHBondContact O-CA 3.42Å; D90-Q93 PolarHBondContact O-N 3.33Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 2.84Å; Q93-W96 PolarHBondContact O-N 2.88Å |
| 94 | N | 91.6 | Very high | 95.4 | Very high | 133 Ų | 133 | 50 Ų | 50 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.1 | -172.7 | 61.3 | -51.1 | 0 | 0 | 0 | 114 | D90 | D90-N94 PolarHBondContact O-N 3.08Š|
| 95 | R | 94.8 | Very high | 95.5 | Very high | 163 Ų | 163 | 44.9 Ų | 44.9 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 13.7 | 174.8 | -61.8 | -157.8 | -179.4 | 160.9 | -15 | 113.5 | D90 Q93 S97 | D90-R95 HydrophobicContact CB-CB 4.36Å; D90-R95 HydrophobicContact CB-CG 4.17Å; D90-R95 WeakPolarHBondContact O-CB 3.4Å; D90-R95 PolarHBondContact O-N 2.9Å; D90-R95 VanDerWaalsContact OD2-CD 3.22Å; D90-R95 WeakPolarHBondContact OD2-CD 3.35Å; D90-R95 IonicContact OD2-CZ 3.3Å; D90-R95 IonicContact OD2-NE 3.55Å; D90-R95 IonicContact OD2-NH1 3.51Å; D90-R95 PolarHBondContact OD2-NH1 2.87Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 2.84Å; R95-S97 PolarHBondContact O-N 2.88Å |
| 96 | W | 97.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | trans | -59.5 | 138.6 | 174.3 | 176.5 | -107 | 0 | 0 | 0 | 111.5 | Y63 P64 P67 I91 Q93 Y100 I105 | Y63-W96 HydrophobicContact CD2-CZ2 4.25Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.74Å; Y63-W96 HydrophobicContact CE2-CZ2 3.74Å; P64-W96 HydrophobicContact CB-CZ2 4.45Å; P64-W96 WeakPolarHBondContact O-CZ2 3.39Å; P64-W96 PolarHBondContact O-NE1 2.81Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.51Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.73Å; P67-W96 HydrophobicContact CB-CZ3 4.28Å; P67-W96 HydrophobicContact CG-CB 4.14Å; P67-W96 HydrophobicContact CG-CD2 4.29Å; P67-W96 HydrophobicContact CG-CG 3.98Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 VanDerWaalsContact O-CB 3.26Å; I91-W96 WeakPolarHBondContact O-CB 3.33Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.47Å; Q93-W96 PolarHBondContact O-N 2.88Å; W96-Y100 AromaticContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.06Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.12Å | ||
| 97 | S | 97.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | trans | -133.9 | 138 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | R95 T99 Y100 | R95-S97 PolarHBondContact O-N 2.88Å; S97-T99 WeakPolarHBondContact CB-OG1 3.43Å; S97-T99 PolarHBondContact O-N 2.96Å; S97-T99 PolarHBondContact OG-N 3.1Å; S97-T99 PolarHBondContact OG-OG1 3.02Å; S97-Y100 VanDerWaalsContact O-CD2 3.27Å; S97-Y100 WeakPolarHBondContact O-CD2 3.42Å; S97-Y100 PolarHBondContact O-N 3.2Å | ||
| 98 | P | 97 | Very high | 95.5 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -9.6 | 174.3 | -23.4 | 33.8 | 0 | 0 | 0 | 114.8 | R8 P64 Y100 | R8-P98 PolarHBondContact NH1-O 3.21Å; P64-P98 HydrophobicContact CB-CB 4.13Å; P64-P98 HydrophobicContact CG-CB 4.06Å; P64-P98 WeakPolarHBondContact O-CA 3.35Å; P64-P98 WeakPolarHBondContact O-CB 3.32Å; P98-Y100 VanDerWaalsContact C-N 3.33Å |
| 99 | T | 96.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 45 Ų | 45 | 68% | 0.681 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.6 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 113 | S97 | S97-T99 WeakPolarHBondContact CB-OG1 3.43Å; S97-T99 PolarHBondContact O-N 2.96Å; S97-T99 PolarHBondContact OG-N 3.1Å; S97-T99 PolarHBondContact OG-OG1 3.02Å |
| 100 | Y | 97.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | trans | -69.7 | 138.6 | 175.5 | -64.4 | -60.8 | 0 | 0 | 0 | 110.6 | R8 Y63 I91 W96 S97 P98 S104 | R8-Y100 PolarHBondContact NH2-O 3.11Å; Y63-Y100 PolarHBondContact OH-O 2.97Å; I91-Y100 HydrophobicContact CB-CE2 4Å; I91-Y100 HydrophobicContact CG2-CE2 4.11Å; W96-Y100 AromaticContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CD2 3.87Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.06Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; S97-Y100 VanDerWaalsContact O-CD2 3.27Å; S97-Y100 WeakPolarHBondContact O-CD2 3.42Å; S97-Y100 PolarHBondContact O-N 3.2Å; P98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-S104 WeakPolarHBondContact CA-OG 3.27Å | ||
| 101 | D | 96 | Very high | 96 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | trans | -117.7 | 175.9 | 172.3 | 60.5 | 17.9 | 0 | 0 | 0 | 111.2 | D12 R15 S103 S104 I105 | D12-D101 WeakPolarHBondContact OD2-CA 3.46Å; D12-D101 WeakPolarHBondContact OD2-CB 3.46Å; R15-D101 VanDerWaalsContact CD-OD2 3.28Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 3.9Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.73Å; R15-D101 IonicContact NH1-OD2 3.14Å; R15-D101 PolarHBondContact NH1-OD2 3.26Å; D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 PolarHBondContact OD1-N 3.28Å; D101-S104 PolarHBondContact N-OG 2.78Å; D101-S104 PolarHBondContact O-N 2.66Å; D101-S104 PolarHBondContact O-OG 3.38Å; D101-S104 WeakPolarHBondContact OD1-CB 3.47Å; D101-S104 PolarHBondContact OD1-N 3.46Å; D101-S104 PolarHBondContact OD1-OG 3.31Å; D101-S104 VanDerWaalsContact OD1-OG 3.1Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 3.01Å | ||
| 102 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.6 | -41.7 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | D12 L16 W36 I57 F59 S104 I105 L106 | D12-V102 HydrophobicContact CB-CB 4.47Å; D12-V102 HydrophobicContact CB-CG2 3.95Å; D12-V102 PolarHBondContact OD2-N 3.09Å; L16-V102 HydrophobicContact CD2-CG1 4.04Å; W36-V102 HydrophobicContact CE3-CG1 4.01Å; W36-V102 HydrophobicContact CE3-CG2 4.41Å; W36-V102 HydrophobicContact CH2-CB 4.49Å; W36-V102 HydrophobicContact CH2-CG2 3.96Å; W36-V102 HydrophobicContact CZ2-CG2 4.45Å; W36-V102 HydrophobicContact CZ3-CB 4.16Å; W36-V102 HydrophobicContact CZ3-CG1 3.8Å; W36-V102 HydrophobicContact CZ3-CG2 3.98Å; I57-V102 HydrophobicContact CD1-CG1 4.02Å; F59-V102 HydrophobicContact CE1-CG2 4.28Å; F59-V102 HydrophobicContact CZ-CG2 3.77Å; V102-S104 PolarHBondContact O-N 3.35Å; V102-I105 PolarHBondContact O-N 3.31Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.19Å; V102-L106 PolarHBondContact O-N 3.1Å |
| 103 | S | 96.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | L16 D101 I105 L106 T107 | L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 PolarHBondContact OD1-N 3.28Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.27Å; S103-L106 PolarHBondContact O-N 2.79Å; S103-T107 WeakPolarHBondContact O-CB 3.25Å; S103-T107 PolarHBondContact O-N 3.45Å; S103-T107 PolarHBondContact O-OG1 3.41Å |
| 104 | S | 96.2 | Very high | 96.1 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 22% | 0.217 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -35 | 179 | 65.3 | 0 | 0 | 0 | 0 | 113 | Y100 D101 V102 S108 | Y100-S104 WeakPolarHBondContact CA-OG 3.27Å; D101-S104 PolarHBondContact N-OG 2.78Å; D101-S104 PolarHBondContact O-N 2.66Å; D101-S104 PolarHBondContact O-OG 3.38Å; D101-S104 WeakPolarHBondContact OD1-CB 3.47Å; D101-S104 PolarHBondContact OD1-N 3.46Å; D101-S104 PolarHBondContact OD1-OG 3.31Å; D101-S104 VanDerWaalsContact OD1-OG 3.1Å; V102-S104 PolarHBondContact O-N 3.35Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.28Å |
| 105 | I | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -51.9 | 175 | -68.3 | 164.6 | 0 | 0 | 0 | 110.1 | P68 V70 L92 W96 D101 V102 S103 T107 S108 I109 | P68-I105 HydrophobicContact CG-CD1 3.71Å; V70-I105 HydrophobicContact CG2-CG2 4.05Å; L92-I105 HydrophobicContact CD2-CG1 4.47Å; L92-I105 HydrophobicContact CD2-CG2 4.11Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.12Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 3.01Å; V102-I105 PolarHBondContact O-N 3.31Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.27Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 2.92Å; I105-S108 PolarHBondContact O-N 3.2Å; I105-I109 HydrophobicContact CG2-CD1 3.85Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.99Å |
| 106 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | -178.5 | -69 | 177.3 | 0 | 0 | 0 | 112 | L16 V24 A38 I40 I57 V102 S103 S108 I109 Q110 | L16-L106 HydrophobicContact CD2-CD1 4.41Å; V24-L106 HydrophobicContact CB-CB 3.94Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.21Å; V24-L106 HydrophobicContact CG2-CB 4.01Å; V24-L106 HydrophobicContact CG2-CD1 4.48Å; A38-L106 HydrophobicContact CB-CD1 4.06Å; A38-L106 HydrophobicContact CB-CD2 3.65Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.27Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.19Å; V102-L106 PolarHBondContact O-N 3.1Å; S103-L106 PolarHBondContact O-N 2.79Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.86Å; L106-I109 PolarHBondContact O-N 3.37Å; L106-Q110 PolarHBondContact O-N 2.76Å |
| 107 | T | 96.4 | Very high | 95 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -41.2 | 176.7 | -49.2 | 0 | 0 | 0 | 0 | 111 | S103 I105 I109 Q110 S111 | S103-T107 WeakPolarHBondContact O-CB 3.25Å; S103-T107 PolarHBondContact O-N 3.45Å; S103-T107 PolarHBondContact O-OG1 3.41Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 2.92Å; T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.36Å; T107-Q110 WeakPolarHBondContact O-CB 3.39Å; T107-Q110 PolarHBondContact O-N 3.3Å; T107-S111 PolarHBondContact O-N 2.71Å; T107-S111 PolarHBondContact O-OG 2.98Å |
| 108 | S | 96.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 42 Ų | 42 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -36.5 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | I91 S104 I105 L106 L112 | I91-S108 WeakPolarHBondContact CD1-OG 3.22Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.28Å; I105-S108 PolarHBondContact O-N 3.2Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.86Å; S108-L112 WeakPolarHBondContact O-CB 3.4Å; S108-L112 PolarHBondContact O-N 3.05Å |
| 109 | I | 97.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 174.5 | -64.5 | 164.3 | 0 | 0 | 0 | 110.7 | I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113 | I40-I109 HydrophobicContact CD1-CB 3.72Å; I40-I109 HydrophobicContact CD1-CG2 3.5Å; I40-I109 VanDerWaalsContact CD1-CG2 3.5Å; L55-I109 HydrophobicContact CD2-CD1 4.26Å; L55-I109 HydrophobicContact CD2-CG2 4.16Å; V70-I109 HydrophobicContact CB-CD1 4.32Å; V70-I109 HydrophobicContact CG1-CD1 3.7Å; V70-I109 HydrophobicContact CG2-CD1 4.45Å; F72-I109 HydrophobicContact CE2-CG2 4.13Å; F72-I109 HydrophobicContact CZ-CG2 3.75Å; I87-I109 HydrophobicContact CD1-CD1 3.81Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; L89-I109 HydrophobicContact CD2-CG1 3.97Å; I105-I109 HydrophobicContact CG2-CD1 3.85Å; I105-I109 WeakPolarHBondContact O-CG1 3.34Å; I105-I109 PolarHBondContact O-N 2.99Å; L106-I109 PolarHBondContact O-N 3.37Å; T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.36Å; I109-L112 WeakPolarHBondContact O-CB 3.26Å; I109-L112 PolarHBondContact O-N 2.86Å; I109-L113 PolarHBondContact O-N 3.03Å |
| 110 | Q | 97 | Very high | 91.9 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175 | -176.8 | -176.1 | 49.6 | 0 | 0 | 111.2 | A22 G23 V24 I40 F41 P43 L106 T107 L112 L113 | A22-Q110 PolarHBondContact O-NE2 3.14Å; A22-Q110 PolarHBondContact O-OE1 3.11Å; G23-Q110 PolarHBondContact O-NE2 2.78Å; V24-Q110 HydrophobicContact CG1-CB 4.05Å; V24-Q110 HydrophobicContact CG1-CG 4.42Å; I40-Q110 HydrophobicContact CG2-CB 3.81Å; I40-Q110 HydrophobicContact CG2-CG 3.92Å; F41-Q110 PolarHBondContact O-NE2 3.41Å; P43-Q110 HydrophobicContact CG-CG 3.91Å; L106-Q110 PolarHBondContact O-N 2.76Å; T107-Q110 WeakPolarHBondContact O-CB 3.39Å; T107-Q110 PolarHBondContact O-N 3.3Å; Q110-L112 VanDerWaalsContact C-N 3.25Å; Q110-L112 PolarHBondContact O-N 3.28Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.86Å; Q110-L113 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 95.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | T107 L113 D114 E115 | T107-S111 PolarHBondContact O-N 2.71Å; T107-S111 PolarHBondContact O-OG 2.98Å; S111-L113 PolarHBondContact O-N 2.95Å; S111-D114 PolarHBondContact O-N 2.84Å; S111-D114 VanDerWaalsContact O-N 3.11Å; S111-E115 PolarHBondContact O-N 2.92Å |
| 112 | L | 95 | Very high | 91.3 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -27.8 | 176.5 | -178.8 | 64.9 | 0 | 0 | 0 | 112.7 | H78 N80 I87 L89 S108 I109 Q110 D114 E115 | H78-L112 PolarHBondContact CE1-O 2.87Å; H78-L112 VanDerWaalsContact CE1-O 3.24Å; H78-L112 PolarHBondContact NE2-O 3.27Å; N80-L112 HydrophobicContact CB-CD1 4.08Å; N80-L112 HydrophobicContact CB-CD2 3.97Å; N80-L112 HydrophobicContact CB-CG 4.32Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; L89-L112 HydrophobicContact CB-CD2 4.44Å; L89-L112 HydrophobicContact CD1-CD2 4.31Å; S108-L112 WeakPolarHBondContact O-CB 3.4Å; S108-L112 PolarHBondContact O-N 3.05Å; I109-L112 WeakPolarHBondContact O-CB 3.26Å; I109-L112 PolarHBondContact O-N 2.86Å; Q110-L112 VanDerWaalsContact C-N 3.25Å; Q110-L112 PolarHBondContact O-N 3.28Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-E115 CarbonylContact O-C 3.4Å |
| 113 | L | 95.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 176.1 | -63.2 | 178.3 | 0 | 0 | 0 | 112.7 | I40 F48 F53 F72 M76 I109 Q110 S111 | I40-L113 HydrophobicContact CG2-CD1 4.11Å; F48-L113 HydrophobicContact CD1-CD2 4.31Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.11Å; F48-L113 HydrophobicContact CE1-CD2 4.21Å; F48-L113 HydrophobicContact CE2-CB 4.42Å; F48-L113 HydrophobicContact CE2-CD2 4.48Å; F48-L113 WeakPolarHBondContact CE2-O 3.47Å; F48-L113 HydrophobicContact CG-CB 4.3Å; F48-L113 HydrophobicContact CZ-CD2 4.32Å; F53-L113 HydrophobicContact CD2-CD1 4.16Å; F53-L113 HydrophobicContact CE2-CD1 4.32Å; F72-L113 HydrophobicContact CZ-CD2 4.49Å; M76-L113 HydrophobicContact CE-CD2 3.78Å; I109-L113 PolarHBondContact O-N 3.03Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.86Å; Q110-L113 VanDerWaalsContact O-N 3.11Å; S111-L113 PolarHBondContact O-N 2.95Å |
| 114 | D | 91.6 | Very high | 91 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -84.1 | -41.3 | 177.5 | -172.9 | 25.5 | 0 | 0 | 0 | 111.5 | P43 T46 S111 L112 P116 | P43-D114 HydrophobicContact CG-CB 4.49Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 VanDerWaalsContact CG2-OD1 3.26Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.36Å; S111-D114 PolarHBondContact O-N 2.84Å; S111-D114 VanDerWaalsContact O-N 3.11Å; L112-D114 VanDerWaalsContact C-N 3.32Å; D114-P116 WeakPolarHBondContact O-CD 3.48Å |
| 115 | E | 90.3 | Very high | 91 | Very high | 147 Ų | 147 | 52.5 Ų | 52.5 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -117.6 | 80.5 | -177.2 | -62 | -174.5 | 168 | 0 | 0 | 112 | S111 L112 N117 | S111-E115 PolarHBondContact O-N 2.92Å; L112-E115 CarbonylContact O-C 3.4Å; E115-N117 PolarHBondContact O-N 3.1Å |
| 116 | P | 88.4 | Confident | 90.9 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | trans | -60.6 | 136.9 | 176 | -18.4 | 26.9 | 0 | 0 | 0 | 111.5 | P79 N80 D114 P118 Y130 | P79-P116 HydrophobicContact CB-CB 4.1Å; P79-P116 HydrophobicContact CG-CB 3.81Å; P79-P116 HydrophobicContact CG-CG 4.3Å; N80-P116 WeakPolarHBondContact OD1-CA 3.44Å; D114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-P118 VanDerWaalsContact O-CD 3.27Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å; P116-Y130 HydrophobicContact CG-CE1 4.36Å; P116-Y130 HydrophobicContact CG-CE2 4.14Å | ||
| 117 | N | 83.6 | Confident | 90.8 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | trans | -83 | 112.9 | 173.7 | -178.1 | -10.6 | 0 | 0 | 0 | 110.5 | N80 E115 N119 | N80-N117 PolarHBondContact ND2-O 2.81Å; N80-N117 PolarHBondContact OD1-N 3.01Å; E115-N117 PolarHBondContact O-N 3.1Å; N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.12Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.9Å | ||
| 118 | P | 74.1 | Confident | 90.7 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.2 | -175.8 | 32.7 | -36 | 0 | 0 | 0 | 113.7 | P116 S120 | P116-P118 VanDerWaalsContact O-CD 3.27Å; P116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 2.77Å |
| 119 | N | 74.2 | Confident | 90.6 | Very high | 138 Ų | 138 | 54.9 Ų | 54.9 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.5 | -164 | -70.6 | -33.3 | 0 | 0 | 0 | 115.2 | N117 | N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.12Å; N117-N119 WeakPolarHBondContact OD1-CB 3.38Å; N117-N119 PolarHBondContact OD1-N 2.9Å |
| 120 | S | 77.3 | Confident | 90.5 | Very high | 88 Ų | 88 | 59 Ų | 59 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -170.5 | 87.1 | 169.6 | -79 | 0 | 0 | 0 | 0 | 108.5 | P118 A122 | P118-S120 VanDerWaalsContact C-N 3.28Å; P118-S120 PolarHBondContact O-N 2.77Å; S120-A122 PolarHBondContact O-N 2.99Å |
| 121 | P | 86.5 | Confident | 90.2 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | trans | -72 | 130.1 | -174.5 | 29.4 | -34.2 | 0 | 0 | 0 | 111 | P79 A127 | P79-P121 CarbonylContact O-C 3.59Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P121-A127 HydrophobicContact CB-CB 3.39Å; P121-A127 HydrophobicContact CG-CB 3.72Å | ||
| 122 | A | 93 | Very high | 90.2 | Very high | 18 Ų | 18 | 67.3 Ų | 67.3 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -66.2 | -28.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P79 Y82 C88 S120 | P79-A122 PolarHBondContact O-N 2.96Å; Y82-A122 HydrophobicContact CD1-CB 3.8Å; Y82-A122 HydrophobicContact CD2-CB 3.68Å; Y82-A122 HydrophobicContact CE1-CB 3.7Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.78Å; C88-A122 HydrophobicContact CB-CB 4.05Å; S120-A122 PolarHBondContact O-N 2.99Å |
| 123 | N | 95.4 | Very high | 90.2 | Very high | 31 Ų | 31 | 70.3 Ų | 70.3 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | trans | -124.2 | 94.6 | 176.5 | -175.7 | -21.7 | 0 | 0 | 0 | 110 | H78 P79 V81 Q125 A126 A127 | H78-N123 WeakPolarHBondContact O-CB 3.26Å; P79-N123 PolarHBondContact O-N 3.02Å; V81-N123 WeakPolarHBondContact O-CB 3.48Å; N123-Q125 PolarHBondContact O-N 2.74Å; N123-Q125 PolarHBondContact OD1-N 3.21Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact OD1-N 2.99Å; N123-A127 PolarHBondContact O-N 2.79Å | ||
| 124 | S | 93.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 75.7 Ų | 75.7 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.4 | -34.1 | -178.8 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | A127 Q128 | S124-A127 PolarHBondContact O-N 3.5Å; S124-Q128 WeakPolarHBondContact O-CB 3.25Å; S124-Q128 PolarHBondContact O-N 2.84Å |
| 125 | Q | 95.1 | Very high | 90.4 | Very high | 98 Ų | 98 | 81.6 Ų | 81.6 | 46% | 0.458 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 178.1 | -175.7 | 177.7 | 32.9 | 0 | 0 | 111.3 | F77 N123 A127 Q128 L129 | F77-Q125 HydrophobicContact CE2-CG 4.47Å; F77-Q125 HydrophobicContact CZ-CG 4.36Å; N123-Q125 PolarHBondContact O-N 2.74Å; N123-Q125 PolarHBondContact OD1-N 3.21Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-Q128 PolarHBondContact O-N 3.3Å; Q125-L129 HydrophobicContact CG-CD1 4.43Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.4Å |
| 126 | A | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | F77 P79 N123 L129 Y130 Y137 | F77-A126 HydrophobicContact CD1-CB 4.25Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.87Å; F77-A126 HydrophobicContact CE2-CB 4Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 VanDerWaalsContact CZ-CA 3.49Å; F77-A126 HydrophobicContact CZ-CB 3.72Å; P79-A126 HydrophobicContact CG-CB 4.24Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact OD1-N 2.99Å; A126-L129 PolarHBondContact O-N 3.32Å; A126-Y130 VanDerWaalsContact O-CB 3.26Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 2.76Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å |
| 127 | A | 94.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P79 P121 N123 S124 Q125 Y130 Q131 | P79-A127 HydrophobicContact CB-CB 4.09Å; P121-A127 HydrophobicContact CB-CB 3.39Å; P121-A127 HydrophobicContact CG-CB 3.72Å; N123-A127 PolarHBondContact O-N 2.79Å; S124-A127 PolarHBondContact O-N 3.5Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; A127-Y130 PolarHBondContact O-N 3.36Å; A127-Q131 WeakPolarHBondContact O-CG 3.22Å; A127-Q131 PolarHBondContact O-N 3Å; A127-Q131 VanDerWaalsContact O-N 3.1Å |
| 128 | Q | 94.4 | Very high | 91.8 | Very high | 102 Ų | 102 | 76.7 Ų | 76.7 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.1 | -174.3 | -176.5 | 3.9 | 0 | 0 | 111 | S124 Q125 Y130 Q131 E132 | S124-Q128 WeakPolarHBondContact O-CB 3.25Å; S124-Q128 PolarHBondContact O-N 2.84Å; Q125-Q128 PolarHBondContact O-N 3.3Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 3.3Å; Q128-Q131 PolarHBondContact O-N 3.34Å; Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.35Å; Q128-E132 PolarHBondContact NE2-OE2 2.95Å; Q128-E132 WeakPolarHBondContact O-CB 3.12Å; Q128-E132 PolarHBondContact O-N 3.33Å |
| 129 | L | 95.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.2 | -68.8 | -180 | 0 | 0 | 0 | 111.8 | F77 Q125 A126 Q131 N133 K134 E136 Y137 | F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.89Å; Q125-L129 HydrophobicContact CG-CD1 4.43Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 3.32Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-N133 HydrophobicContact CD2-CB 4.19Å; L129-N133 CarbonylContact O-C 3.59Å; L129-N133 WeakPolarHBondContact O-CA 3.42Å; L129-N133 PolarHBondContact O-N 2.75Å; L129-K134 PolarHBondContact O-N 3.34Å; L129-E136 HydrophobicContact CD1-CG 4.1Å; L129-E136 HydrophobicContact CD2-CB 4.3Å; L129-E136 HydrophobicContact CD2-CG 4.03Å; L129-Y137 HydrophobicContact CB-CD2 4.42Å |
| 130 | Y | 93.3 | Very high | 94 | Very high | 87 Ų | 87 | 77.5 Ų | 77.5 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -38.8 | 176.3 | -177.6 | -103.4 | 0 | 0 | 0 | 112.3 | P116 A126 A127 Q128 Y137 | P116-Y130 HydrophobicContact CG-CE1 4.36Å; P116-Y130 HydrophobicContact CG-CE2 4.14Å; A126-Y130 VanDerWaalsContact O-CB 3.26Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 2.76Å; A127-Y130 PolarHBondContact O-N 3.36Å; Q128-Y130 VanDerWaalsContact C-N 3.31Å; Q128-Y130 PolarHBondContact O-N 3.3Å; Y130-Y137 AromaticContact CD2-CD1 3.95Å; Y130-Y137 HydrophobicContact CD2-CD1 3.95Å; Y130-Y137 AromaticContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE2 4.45Å; Y130-Y137 HydrophobicContact CD2-CG 4.38Å; Y130-Y137 HydrophobicContact CE2-CE1 4.39Å |
| 131 | Q | 91.9 | Very high | 94.9 | Very high | 130 Ų | 130 | 73.3 Ų | 73.3 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -83.6 | -42.4 | -179.5 | -67.3 | 175.8 | 14.1 | 0 | 0 | 113.6 | A127 Q128 L129 | A127-Q131 WeakPolarHBondContact O-CG 3.22Å; A127-Q131 PolarHBondContact O-N 3Å; A127-Q131 VanDerWaalsContact O-N 3.1Å; Q128-Q131 PolarHBondContact O-N 3.34Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.92Å |
| 132 | E | 95.1 | Very high | 95.4 | Very high | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -101.6 | -26.7 | -168.4 | -61.9 | 179.7 | 176.4 | 0 | 0 | 113.4 | Q128 | Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE2 3.25Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.35Å; Q128-E132 PolarHBondContact NE2-OE2 2.95Å; Q128-E132 WeakPolarHBondContact O-CB 3.12Å; Q128-E132 PolarHBondContact O-N 3.33Å |
| 133 | N | 95.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | trans | -149.9 | 69.6 | -174 | -169.2 | -11.8 | 0 | 0 | 0 | 112 | L129 R135 E136 Y137 | L129-N133 HydrophobicContact CD2-CB 4.19Å; L129-N133 CarbonylContact O-C 3.59Å; L129-N133 WeakPolarHBondContact O-CA 3.42Å; L129-N133 PolarHBondContact O-N 2.75Å; N133-R135 PolarHBondContact O-N 3.15Å; N133-R135 VanDerWaalsContact O-N 3.11Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.39Å; N133-E136 PolarHBondContact OD1-N 2.93Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; N133-Y137 PolarHBondContact O-N 3.01Å | ||
| 134 | K | 94.1 | Very high | 95.6 | Very high | 118 Ų | 118 | 74.4 Ų | 74.4 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -53.4 | -34.7 | -178 | -168.3 | 172.5 | -178.5 | 178.4 | 0 | 113 | L129 Y137 E138 | L129-K134 PolarHBondContact O-N 3.34Å; K134-Y137 WeakPolarHBondContact O-CB 3.46Å; K134-Y137 PolarHBondContact O-N 2.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 HydrophobicContact CG-CG 4.39Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 VanDerWaalsContact O-CG 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.25Å; K134-E138 PolarHBondContact O-N 3.49Å |
| 135 | R | 96.8 | Very high | 95.8 | Very high | 210 Ų | 210 | 70.8 Ų | 70.8 | 79% | 0.792 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 177.3 | -177.1 | 178.6 | 178.4 | 169 | 1.5 | 113 | N133 K139 | N133-R135 PolarHBondContact O-N 3.15Å; N133-R135 VanDerWaalsContact O-N 3.11Å; R135-K139 WeakPolarHBondContact O-CB 3.29Å; R135-K139 PolarHBondContact O-N 2.85Å; R135-K139 VanDerWaalsContact O-N 3.09Å |
| 136 | E | 97.5 | Very high | 95.8 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.8 | -32.9 | 177 | 179.5 | 61 | -161.5 | 0 | 0 | 111.2 | L129 N133 R140 | L129-E136 HydrophobicContact CD1-CG 4.1Å; L129-E136 HydrophobicContact CD2-CB 4.3Å; L129-E136 HydrophobicContact CD2-CG 4.03Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.39Å; N133-E136 PolarHBondContact OD1-N 2.93Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.93Å; E136-R140 IonicContact OE1-NE 3.57Å; E136-R140 PolarHBondContact OE1-NE 3.47Å; E136-R140 VanDerWaalsContact OE1-NE 3.14Å; E136-R140 IonicContact OE1-NH2 3.38Å |
| 137 | Y | 96.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -55.3 | 170.7 | 175.1 | -98.2 | 0 | 0 | 0 | 111.2 | P47 F48 F77 A126 L129 Y130 N133 K134 K139 R140 V141 | P47-Y137 HydrophobicContact CG-CE1 4.39Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.3Å; F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.13Å; F77-Y137 AromaticContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CD2 3.78Å; F77-Y137 HydrophobicContact CE1-CE2 4.09Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å; L129-Y137 HydrophobicContact CB-CD2 4.42Å; Y130-Y137 AromaticContact CD2-CD1 3.95Å; Y130-Y137 HydrophobicContact CD2-CD1 3.95Å; Y130-Y137 AromaticContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE1 3.75Å; Y130-Y137 HydrophobicContact CD2-CE2 4.45Å; Y130-Y137 HydrophobicContact CD2-CG 4.38Å; Y130-Y137 HydrophobicContact CE2-CE1 4.39Å; N133-Y137 PolarHBondContact O-N 3.01Å; K134-Y137 WeakPolarHBondContact O-CB 3.46Å; K134-Y137 PolarHBondContact O-N 2.86Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.83Å; Y137-R140 WeakPolarHBondContact O-CB 3.33Å; Y137-R140 PolarHBondContact O-N 2.91Å; Y137-V141 HydrophobicContact CD1-CG2 4.16Å; Y137-V141 HydrophobicContact CD2-CG2 4.41Å; Y137-V141 HydrophobicContact CE1-CG2 3.69Å; Y137-V141 HydrophobicContact CE2-CG2 3.94Å; Y137-V141 HydrophobicContact CG-CG2 4.49Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 3.07Å |
| 138 | E | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 178.9 | -75.1 | 170.6 | -179 | 0 | 0 | 111.3 | P47 K134 R140 V141 S142 | P47-E138 HydrophobicContact CB-CG 4.14Å; P47-E138 HydrophobicContact CG-CG 3.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.37Å; K134-E138 HydrophobicContact CG-CG 4.39Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 VanDerWaalsContact O-CG 3.32Å; K134-E138 WeakPolarHBondContact O-CG 3.25Å; K134-E138 PolarHBondContact O-N 3.49Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 2.85Å; E138-V141 PolarHBondContact O-N 2.98Å; E138-V141 VanDerWaalsContact O-N 3.12Å; E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 3.16Å |
| 139 | K | 97.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 75.8 Ų | 75.8 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.3 | -40.7 | 176 | -176.3 | -174.8 | 175.1 | -169.5 | 0 | 112.7 | R135 Y137 A143 | R135-K139 WeakPolarHBondContact O-CB 3.29Å; R135-K139 PolarHBondContact O-N 2.85Å; R135-K139 VanDerWaalsContact O-N 3.09Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.83Å; K139-A143 PolarHBondContact O-N 2.81Å |
| 140 | R | 97.2 | Very high | 95.3 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71 | -40.2 | 177.5 | -72.5 | -175 | -178.2 | -143.6 | 4.9 | 111.8 | F77 E136 Y137 E138 A143 I144 | F77-R140 HydrophobicContact CD1-CB 3.72Å; F77-R140 HydrophobicContact CE1-CB 3.82Å; F77-R140 HydrophobicContact CE1-CG 4.45Å; F77-R140 HydrophobicContact CG-CB 4.33Å; E136-R140 WeakPolarHBondContact O-CG 3.34Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 VanDerWaalsContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.93Å; E136-R140 IonicContact OE1-NE 3.57Å; E136-R140 PolarHBondContact OE1-NE 3.47Å; E136-R140 VanDerWaalsContact OE1-NE 3.14Å; E136-R140 IonicContact OE1-NH2 3.38Å; Y137-R140 WeakPolarHBondContact O-CB 3.33Å; Y137-R140 PolarHBondContact O-N 2.91Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 2.85Å; R140-A143 PolarHBondContact O-N 2.78Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.44Å |
| 141 | V | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | P47 F48 F77 Y137 E138 A143 I144 V145 | P47-V141 HydrophobicContact CB-CB 4.07Å; P47-V141 HydrophobicContact CB-CG1 3.92Å; P47-V141 VanDerWaalsContact O-CG1 3.24Å; P47-V141 WeakPolarHBondContact O-CG1 3.37Å; F48-V141 HydrophobicContact CD1-CG1 3.47Å; F48-V141 VanDerWaalsContact CD1-CG1 3.47Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CG1 3.44Å; F48-V141 VanDerWaalsContact CE1-CG1 3.44Å; F48-V141 HydrophobicContact CE1-CG2 4.29Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.8Å; F48-V141 HydrophobicContact CZ-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CG2 3.93Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; Y137-V141 HydrophobicContact CD1-CG2 4.16Å; Y137-V141 HydrophobicContact CD2-CG2 4.41Å; Y137-V141 HydrophobicContact CE1-CG2 3.69Å; Y137-V141 HydrophobicContact CE2-CG2 3.94Å; Y137-V141 HydrophobicContact CG-CG2 4.49Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 3.07Å; E138-V141 PolarHBondContact O-N 2.98Å; E138-V141 VanDerWaalsContact O-N 3.12Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.13Å; V141-I144 CarbonylContact O-C 3.57Å; V141-I144 WeakPolarHBondContact O-CA 3.1Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 3.46Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 PolarHBondContact O-N 3.02Å |
| 142 | S | 96.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 176.2 | -56 | 0 | 0 | 0 | 0 | 112.4 | E138 I144 V145 E146 | E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 3.16Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.44Å; S142-V145 WeakPolarHBondContact O-CB 3.46Å; S142-V145 PolarHBondContact O-N 3.26Å; S142-E146 WeakPolarHBondContact O-CG 3.41Å; S142-E146 PolarHBondContact O-N 3.35Å |
| 143 | A | 96.8 | Very high | 92 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K139 R140 V141 Q147 | K139-A143 PolarHBondContact O-N 2.81Å; R140-A143 PolarHBondContact O-N 2.78Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 3.13Å; A143-Q147 WeakPolarHBondContact O-CB 2.97Å; A143-Q147 PolarHBondContact O-N 3.48Å; A143-Q147 VanDerWaalsContact O-N 3.13Å |
| 144 | I | 96.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 81.5 Ų | 81.5 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.4 | -40.2 | 175 | -63.2 | -57 | 0 | 0 | 0 | 111.3 | F53 K75 F77 R140 V141 S142 Q147 S148 | F53-I144 HydrophobicContact CE1-CG2 4.08Å; K75-I144 HydrophobicContact CB-CD1 4.35Å; K75-I144 HydrophobicContact CD-CD1 3.76Å; K75-I144 HydrophobicContact CG-CD1 3.88Å; K75-I144 WeakPolarHBondContact O-CG2 3.44Å; F77-I144 HydrophobicContact CB-CG1 3.83Å; R140-I144 WeakPolarHBondContact O-CG1 3.24Å; R140-I144 PolarHBondContact O-N 3.44Å; V141-I144 CarbonylContact O-C 3.57Å; V141-I144 WeakPolarHBondContact O-CA 3.1Å; V141-I144 WeakPolarHBondContact O-CB 3.28Å; V141-I144 PolarHBondContact O-N 3.46Å; S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 3.44Å; I144-Q147 PolarHBondContact O-N 3.37Å; I144-S148 PolarHBondContact O-N 3.05Å |
| 145 | V | 97 | Very high | 91.7 | Very high | 9 Ų | 9 | 79.5 Ų | 79.5 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.1 | -52.4 | 172.5 | 166.1 | 0 | 0 | 0 | 0 | 110.1 | E49 F53 V141 S142 Q147 S148 W149 | E49-V145 WeakPolarHBondContact O-CG1 3.41Å; F53-V145 HydrophobicContact CZ-CG2 4.04Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 PolarHBondContact O-N 3.02Å; S142-V145 WeakPolarHBondContact O-CB 3.46Å; S142-V145 PolarHBondContact O-N 3.26Å; V145-Q147 VanDerWaalsContact C-N 3.26Å; V145-Q147 PolarHBondContact O-N 3.23Å; V145-S148 WeakPolarHBondContact O-CB 3.16Å; V145-S148 PolarHBondContact O-N 3.19Å; V145-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-OG 3.24Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å |
| 146 | E | 96.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 71.8 Ų | 71.8 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 177.2 | -72 | 177.2 | -160.7 | 0 | 0 | 112.8 | S142 S148 W149 | S142-E146 WeakPolarHBondContact O-CG 3.41Å; S142-E146 PolarHBondContact O-N 3.35Å; E146-S148 VanDerWaalsContact C-N 3.33Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.26Å; E146-W149 HydrophobicContact CG-CE3 4.48Å; E146-W149 HydrophobicContact CG-CH2 4.12Å; E146-W149 HydrophobicContact CG-CZ3 3.87Å |
| 147 | Q | 95.6 | Very high | 91.1 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 177.8 | -174.7 | 167.4 | 12.6 | 0 | 0 | 111.6 | A143 I144 V145 W149 R150 | A143-Q147 WeakPolarHBondContact O-CB 2.97Å; A143-Q147 PolarHBondContact O-N 3.48Å; A143-Q147 VanDerWaalsContact O-N 3.13Å; I144-Q147 PolarHBondContact O-N 3.37Å; V145-Q147 VanDerWaalsContact C-N 3.26Å; V145-Q147 PolarHBondContact O-N 3.23Å; Q147-W149 PolarHBondContact O-N 2.57Å; Q147-R150 PolarHBondContact O-N 3.07Å |
| 148 | S | 95.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.8 | -28.3 | -178.6 | 80.3 | 0 | 0 | 0 | 0 | 113.3 | T52 I144 V145 E146 R150 | T52-S148 PolarHBondContact N-OG 2.91Å; T52-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.05Å; V145-S148 WeakPolarHBondContact O-CB 3.16Å; V145-S148 PolarHBondContact O-N 3.19Å; V145-S148 VanDerWaalsContact O-N 3.08Å; V145-S148 PolarHBondContact O-OG 3.24Å; E146-S148 VanDerWaalsContact C-N 3.33Å; S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.28Å |
| 149 | W | 92.6 | Very high | 90.3 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -72.1 | -23.5 | 177.8 | -52 | -27.8 | 0 | 0 | 0 | 113.7 | D50 V145 E146 Q147 D151 | D50-W149 HydrophobicContact CB-CZ2 4.24Å; D50-W149 PolarHBondContact O-NE1 2.88Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.26Å; E146-W149 HydrophobicContact CG-CE3 4.48Å; E146-W149 HydrophobicContact CG-CH2 4.12Å; E146-W149 HydrophobicContact CG-CZ3 3.87Å; Q147-W149 PolarHBondContact O-N 2.57Å; W149-D151 VanDerWaalsContact C-N 3.35Å |
| 150 | R | 86.4 | Confident | 89.7 | Confident | 203 Ų | 203 | 72.8 Ų | 72.8 | 77% | 0.766 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -84.1 | -15.7 | -177.5 | -60.1 | -175.7 | -175 | -179.1 | 3 | 112.8 | Q147 S148 C152 | Q147-R150 PolarHBondContact O-N 3.07Å; S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.28Å; R150-C152 PolarHBondContact O-N 2.76Å |
| 151 | D | 69.7 | Low | 89.1 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -81.3 | -0.1 | -179.4 | -66.5 | -23.1 | 0 | 0 | 0 | 112.1 | K54 W149 | K54-D151 PolarHBondContact NZ-O 2.82Å; W149-D151 VanDerWaalsContact C-N 3.35Å |
| 152 | C | 50.5 | Low | 88.4 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 97% | 0.966 | 40% | 0.401 | S | S | * | . | trans | -73.1 | 0 | 179.1 | -75.9 | 0 | 0 | 0 | 0 | 114.1 | R150 | R150-C152 PolarHBondContact O-N 2.76Š|
Retrieved 152 of 152 residues in 482.1 ms
(Link to these results)