| 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 | 60.7 | Low | 87.9 | Confident | 212 Ų | 212 | 88.1 Ų | 88.1 | 100% | 1.044 | 46% | 0.455 | S | S | * | . | 0 | -56.4 | 0 | -154.1 | 177.1 | -67.9 | 0 | 0 | 112.2 | K3 V4 S5 | M1-K3 PolarHBondContact O-N 3.22Å; M1-V4 PolarHBondContact O-N 2.79Å; M1-S5 PolarHBondContact O-N 2.96Å | |||
| 2 | Q | 80.1 | Confident | 88.5 | Confident | 165 Ų | 165 | 93.9 Ų | 93.9 | 77% | 0.771 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | -176.8 | -70.1 | 174.9 | -16.1 | 0 | 0 | 114.9 | V4 S5 I6 | Q2-V4 VanDerWaalsContact C-N 3.33Å; Q2-V4 PolarHBondContact O-N 3.3Å; Q2-S5 WeakPolarHBondContact O-CB 3.46Å; Q2-S5 PolarHBondContact O-N 3.24Å; Q2-S5 VanDerWaalsContact O-N 3.1Å; Q2-I6 PolarHBondContact O-N 3.34Å |
| 3 | K | 86.5 | Confident | 89.1 | Confident | 118 Ų | 118 | 91.3 Ų | 91.3 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.2 | -45.5 | 178.4 | -66.9 | -174.7 | 177.8 | -172.5 | 0 | 112.9 | M1 S5 I6 M7 L54 | M1-K3 PolarHBondContact O-N 3.22Å; K3-S5 VanDerWaalsContact C-N 3.34Å; K3-S5 PolarHBondContact O-N 2.85Å; K3-I6 PolarHBondContact O-N 3.24Å; K3-M7 WeakPolarHBondContact O-CG 3.45Å; K3-M7 PolarHBondContact O-N 3.33Å; K3-L54 HydrophobicContact CB-CD2 3.93Å; K3-L54 HydrophobicContact CD-CD2 4.36Å; K3-L54 HydrophobicContact CG-CD1 4.39Å; K3-L54 HydrophobicContact CG-CD2 4.13Å |
| 4 | V | 84.2 | Confident | 89.5 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | M1 Q2 M7 N8 | M1-V4 PolarHBondContact O-N 2.79Å; Q2-V4 VanDerWaalsContact C-N 3.33Å; Q2-V4 PolarHBondContact O-N 3.3Å; V4-M7 PolarHBondContact O-N 2.88Å; V4-N8 WeakPolarHBondContact O-CB 3.2Å; V4-N8 PolarHBondContact O-N 3Å; V4-N8 PolarHBondContact O-ND2 2.85Å |
| 5 | S | 91.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 84.1 Ų | 84.1 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | M1 Q2 K3 N8 C9 | M1-S5 PolarHBondContact O-N 2.96Å; Q2-S5 WeakPolarHBondContact O-CB 3.46Å; Q2-S5 PolarHBondContact O-N 3.24Å; Q2-S5 VanDerWaalsContact O-N 3.1Å; K3-S5 VanDerWaalsContact C-N 3.34Å; K3-S5 PolarHBondContact O-N 2.85Å; S5-N8 PolarHBondContact O-N 2.96Å; S5-C9 WeakPolarHBondContact O-CB 3.41Å; S5-C9 PolarHBondContact O-N 3.4Å |
| 6 | I | 92.7 | Very high | 90.1 | Very high | 47 Ų | 47 | 79.9 Ų | 79.9 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 175.9 | -65.8 | 168.3 | 0 | 0 | 0 | 110.3 | Q2 K3 N8 C9 I10 L54 | Q2-I6 PolarHBondContact O-N 3.34Å; K3-I6 PolarHBondContact O-N 3.24Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 3.33Å; I6-C9 WeakPolarHBondContact O-CB 3.48Å; I6-C9 PolarHBondContact O-N 3.21Å; I6-C9 VanDerWaalsContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 HydrophobicContact CG2-CG1 4.48Å; I6-I10 WeakPolarHBondContact O-CG1 3.47Å; I6-I10 PolarHBondContact O-N 3.37Å; I6-L54 HydrophobicContact CB-CD1 4.39Å; I6-L54 HydrophobicContact CD1-CD1 4.02Å; I6-L54 HydrophobicContact CG2-CB 4.39Å; I6-L54 HydrophobicContact CG2-CD1 4.16Å |
| 7 | M | 93.5 | Very high | 90.3 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 179 | -69.6 | 176.9 | 67.9 | 0 | 0 | 112.4 | K3 V4 C9 I10 R11 L54 Q57 A58 | K3-M7 WeakPolarHBondContact O-CG 3.45Å; K3-M7 PolarHBondContact O-N 3.33Å; V4-M7 PolarHBondContact O-N 2.88Å; M7-C9 VanDerWaalsContact C-N 3.34Å; M7-C9 PolarHBondContact O-N 3.44Å; M7-I10 PolarHBondContact O-N 3.48Å; M7-R11 WeakPolarHBondContact O-CB 3.49Å; M7-R11 WeakPolarHBondContact O-CG 3.49Å; M7-R11 PolarHBondContact O-N 3.41Å; M7-L54 HydrophobicContact CG-CD2 3.98Å; M7-L54 HydrophobicContact SD-CD2 4.05Å; M7-Q57 HydrophobicContact CE-CB 3.77Å; M7-Q57 HydrophobicContact SD-CB 4.42Å; M7-A58 HydrophobicContact CB-CB 4.34Å; M7-A58 HydrophobicContact CG-CB 4.4Å |
| 8 | N | 93.3 | Very high | 90.6 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176 | -74.2 | -12.4 | 0 | 0 | 0 | 112 | V4 S5 I6 R11 R12 | V4-N8 WeakPolarHBondContact O-CB 3.2Å; V4-N8 PolarHBondContact O-N 3Å; V4-N8 PolarHBondContact O-ND2 2.85Å; S5-N8 PolarHBondContact O-N 2.96Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 3.33Å; N8-R11 PolarHBondContact O-N 2.9Å; N8-R12 WeakPolarHBondContact O-CG 3.22Å; N8-R12 PolarHBondContact O-N 2.85Å; N8-R12 VanDerWaalsContact O-N 3.15Å |
| 9 | C | 95.2 | Very high | 90.9 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 173.3 | -172.4 | 0 | 0 | 0 | 0 | 111 | S5 I6 M7 R11 R12 Y13 | S5-C9 WeakPolarHBondContact O-CB 3.41Å; S5-C9 PolarHBondContact O-N 3.4Å; I6-C9 WeakPolarHBondContact O-CB 3.48Å; I6-C9 PolarHBondContact O-N 3.21Å; I6-C9 VanDerWaalsContact O-N 3.14Å; M7-C9 VanDerWaalsContact C-N 3.34Å; M7-C9 PolarHBondContact O-N 3.44Å; C9-R11 VanDerWaalsContact C-N 3.32Å; C9-R11 PolarHBondContact O-N 3.14Å; C9-R12 WeakPolarHBondContact O-CB 3.43Å; C9-R12 PolarHBondContact O-N 3.15Å; C9-R12 VanDerWaalsContact O-N 3.09Å; C9-Y13 WeakPolarHBondContact O-CD2 3.26Å; C9-Y13 PolarHBondContact O-N 2.94Å |
| 10 | I | 95.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.108 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 178.6 | -65.7 | 171.7 | 0 | 0 | 0 | 111.1 | I6 M7 R12 Y13 L14 L21 A55 A58 | I6-I10 HydrophobicContact CG2-CD1 3.87Å; I6-I10 HydrophobicContact CG2-CG1 4.48Å; I6-I10 WeakPolarHBondContact O-CG1 3.47Å; I6-I10 PolarHBondContact O-N 3.37Å; M7-I10 PolarHBondContact O-N 3.48Å; I10-R12 VanDerWaalsContact C-N 3.27Å; I10-R12 PolarHBondContact O-N 2.92Å; I10-Y13 WeakPolarHBondContact O-CB 3.29Å; I10-Y13 PolarHBondContact O-N 3.38Å; I10-Y13 VanDerWaalsContact O-N 3.11Å; I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 HydrophobicContact CG2-CG 4.46Å; I10-L14 PolarHBondContact O-N 2.96Å; I10-L21 HydrophobicContact CG2-CD1 3.29Å; I10-L21 HydrophobicContact CG2-CD2 4Å; I10-L21 HydrophobicContact CG2-CG 4.21Å; I10-A55 HydrophobicContact CD1-CB 4.25Å; I10-A58 HydrophobicContact CB-CB 3.82Å; I10-A58 HydrophobicContact CD1-CB 4.3Å; I10-A58 HydrophobicContact CG2-CB 3.49Å; I10-A58 VanDerWaalsContact CG2-CB 3.49Å |
| 11 | R | 93.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 24% | 0.238 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -31.6 | 178.3 | -77 | 176.3 | 54.9 | 163 | -10.8 | 113.5 | M7 N8 C9 L14 A15 A58 S61 H62 E65 | M7-R11 WeakPolarHBondContact O-CB 3.49Å; M7-R11 WeakPolarHBondContact O-CG 3.49Å; M7-R11 PolarHBondContact O-N 3.41Å; N8-R11 PolarHBondContact O-N 2.9Å; C9-R11 VanDerWaalsContact C-N 3.32Å; C9-R11 PolarHBondContact O-N 3.14Å; R11-L14 PolarHBondContact O-N 3.33Å; R11-A15 WeakPolarHBondContact O-CB 3.49Å; R11-A15 PolarHBondContact O-N 3.3Å; R11-A58 HydrophobicContact CG-CB 4.35Å; R11-S61 PolarHBondContact NH1-OG 3.02Å; R11-H62 HydrophobicContact CG-CB 4.46Å; R11-E65 IonicContact CZ-OE1 2.76Å; R11-E65 VanDerWaalsContact CZ-OE1 3.26Å; R11-E65 IonicContact CZ-OE2 3.03Å; R11-E65 VanDerWaalsContact CZ-OE2 3.28Å; R11-E65 IonicContact NH1-OE1 2.67Å; R11-E65 PolarHBondContact NH1-OE1 2.88Å; R11-E65 IonicContact NH1-OE2 3.87Å; R11-E65 IonicContact NH2-OE1 2.98Å; R11-E65 PolarHBondContact NH2-OE1 2.89Å; R11-E65 IonicContact NH2-OE2 2.73Å; R11-E65 PolarHBondContact NH2-OE2 3.43Å |
| 12 | R | 95.6 | Very high | 93.2 | Very high | 158 Ų | 158 | 61.6 Ų | 61.6 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 174.2 | -69.7 | 167.5 | 64.6 | -170.1 | -0.8 | 111.5 | N8 C9 I10 A15 A16 P250 | N8-R12 WeakPolarHBondContact O-CG 3.22Å; N8-R12 PolarHBondContact O-N 2.85Å; N8-R12 VanDerWaalsContact O-N 3.15Å; C9-R12 WeakPolarHBondContact O-CB 3.43Å; C9-R12 PolarHBondContact O-N 3.15Å; C9-R12 VanDerWaalsContact O-N 3.09Å; I10-R12 VanDerWaalsContact C-N 3.27Å; I10-R12 PolarHBondContact O-N 2.92Å; R12-A15 PolarHBondContact O-N 2.76Å; R12-A16 WeakPolarHBondContact O-CB 3.35Å; R12-A16 PolarHBondContact O-N 3.44Å; R12-P250 HydrophobicContact CB-CB 4.37Å; R12-P250 HydrophobicContact CB-CG 3.72Å |
| 13 | Y | 96.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 54 Ų | 54 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.1 | -77.3 | -69.7 | 0 | 0 | 0 | 112.6 | C9 I10 A16 G17 A18 T248 P250 I253 | C9-Y13 WeakPolarHBondContact O-CD2 3.26Å; C9-Y13 PolarHBondContact O-N 2.94Å; I10-Y13 WeakPolarHBondContact O-CB 3.29Å; I10-Y13 PolarHBondContact O-N 3.38Å; I10-Y13 VanDerWaalsContact O-N 3.11Å; Y13-A16 WeakPolarHBondContact O-CB 3.34Å; Y13-A16 PolarHBondContact O-N 2.86Å; Y13-G17 PolarHBondContact O-N 2.88Å; Y13-A18 VanDerWaalsContact O-CB 3.25Å; Y13-A18 WeakPolarHBondContact O-CB 3.49Å; Y13-A18 PolarHBondContact O-N 3.01Å; Y13-T248 PolarHBondContact OH-O 2.83Å; Y13-P250 HydrophobicContact CD1-CG 4.44Å; Y13-P250 HydrophobicContact CE1-CG 4.42Å; Y13-I253 HydrophobicContact CD1-CB 4.24Å; Y13-I253 HydrophobicContact CD1-CG1 3.67Å; Y13-I253 HydrophobicContact CD1-CG2 4.48Å; Y13-I253 HydrophobicContact CE1-CG1 3.69Å |
| 14 | L | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 173.5 | -69.4 | 173.7 | 0 | 0 | 0 | 111.7 | I10 R11 A16 G17 L21 I59 H62 F73 | I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 HydrophobicContact CG2-CG 4.46Å; I10-L14 PolarHBondContact O-N 2.96Å; R11-L14 PolarHBondContact O-N 3.33Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.79Å; L14-G17 PolarHBondContact O-N 2.68Å; L14-L21 HydrophobicContact CD1-CD1 4.05Å; L14-L21 HydrophobicContact CD2-CD1 3.57Å; L14-L21 HydrophobicContact CD2-CD2 4.19Å; L14-L21 HydrophobicContact CD2-CG 3.99Å; L14-L21 HydrophobicContact CG-CD1 3.85Å; L14-L21 HydrophobicContact CG-CD2 4.31Å; L14-L21 HydrophobicContact CG-CG 4.47Å; L14-I59 HydrophobicContact CD1-CG1 4.13Å; L14-I59 HydrophobicContact CD2-CG1 4.41Å; L14-H62 HydrophobicContact CD1-CB 3.65Å; L14-F73 HydrophobicContact CD2-CD1 3.4Å; L14-F73 HydrophobicContact CD2-CE1 3.51Å; L14-F73 HydrophobicContact CD2-CG 4.22Å; L14-F73 HydrophobicContact CD2-CZ 4.38Å |
| 15 | A | 93.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.1 | -31.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | R11 R12 G17 | R11-A15 WeakPolarHBondContact O-CB 3.49Å; R11-A15 PolarHBondContact O-N 3.3Å; R12-A15 PolarHBondContact O-N 2.76Å; A15-G17 PolarHBondContact O-N 2.74Å |
| 16 | A | 94.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -11.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R12 Y13 L14 P250 I253 A254 A257 | R12-A16 WeakPolarHBondContact O-CB 3.35Å; R12-A16 PolarHBondContact O-N 3.44Å; Y13-A16 WeakPolarHBondContact O-CB 3.34Å; Y13-A16 PolarHBondContact O-N 2.86Å; L14-A16 VanDerWaalsContact C-N 3.27Å; L14-A16 PolarHBondContact O-N 2.79Å; A16-P250 HydrophobicContact CB-CB 4.01Å; A16-P250 WeakPolarHBondContact CB-O 3.24Å; A16-I253 HydrophobicContact CB-CB 4.17Å; A16-I253 HydrophobicContact CB-CG2 3.92Å; A16-A254 HydrophobicContact CB-CB 4.19Å; A16-A254 VanDerWaalsContact O-CA 3.32Å; A16-A254 WeakPolarHBondContact O-CA 3.49Å; A16-A257 WeakPolarHBondContact O-CB 3.12Å |
| 17 | G | 94.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109 | 7.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y13 L14 A15 K19 Y261 | Y13-G17 PolarHBondContact O-N 2.88Å; L14-G17 PolarHBondContact O-N 2.68Å; A15-G17 PolarHBondContact O-N 2.74Å; G17-K19 PolarHBondContact O-N 3.2Å; G17-Y261 VanDerWaalsContact O-CE2 3.31Å; G17-Y261 WeakPolarHBondContact O-CE2 3.3Å; G17-Y261 PolarHBondContact O-OH 3.31Å; G17-Y261 VanDerWaalsContact O-OH 3.05Å |
| 18 | A | 95.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 26% | 0.263 | C | S | . | . | trans | -57.9 | 136.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y13 L21 I253 | Y13-A18 VanDerWaalsContact O-CB 3.25Å; Y13-A18 WeakPolarHBondContact O-CB 3.49Å; Y13-A18 PolarHBondContact O-N 3.01Å; A18-L21 HydrophobicContact CB-CD2 4.32Å; A18-I253 HydrophobicContact CB-CG2 4.04Å | ||
| 19 | K | 95.1 | Very high | 95.7 | Very high | 74 Ų | 74 | 47 Ų | 47 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -111.1 | -22.2 | 172.2 | -76.6 | -178.1 | -174.5 | -179.8 | 0 | 113.4 | G17 F73 F74 Y261 | G17-K19 PolarHBondContact O-N 3.2Å; K19-F73 CarbonylContact O-C 3.56Å; K19-F73 VanDerWaalsContact O-CA 3.29Å; K19-F73 WeakPolarHBondContact O-CA 3.26Å; K19-F74 PolarHBondContact O-N 2.87Å; K19-Y261 HydrophobicContact CD-CE1 4.1Å; K19-Y261 VanDerWaalsContact CD-OH 3.26Å; K19-Y261 WeakPolarHBondContact CD-OH 3.25Å; K19-Y261 WeakPolarHBondContact CE-OH 3.5Å; K19-Y261 VanDerWaalsContact CG-OH 3.24Å; K19-Y261 WeakPolarHBondContact CG-OH 3.34Å |
| 20 | V | 96.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.5 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 106.8 | F74 A76 W151 | V20-F74 WeakPolarHBondContact CA-O 3.42Å; V20-F74 HydrophobicContact CG1-CB 4.4Å; V20-F74 HydrophobicContact CG2-CB 4.25Å; V20-F74 HydrophobicContact CG2-CD2 4.32Å; V20-A76 HydrophobicContact CG1-CB 3.87Å; V20-W151 HydrophobicContact CG1-CH2 3.89Å; V20-W151 HydrophobicContact CG1-CZ3 4.26Å |
| 21 | L | 97.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.1 | 177.7 | -67.5 | 170.2 | 0 | 0 | 0 | 109 | I10 L14 A18 I59 F74 V75 A76 | I10-L21 HydrophobicContact CG2-CD1 3.29Å; I10-L21 HydrophobicContact CG2-CD2 4Å; I10-L21 HydrophobicContact CG2-CG 4.21Å; L14-L21 HydrophobicContact CD1-CD1 4.05Å; L14-L21 HydrophobicContact CD2-CD1 3.57Å; L14-L21 HydrophobicContact CD2-CD2 4.19Å; L14-L21 HydrophobicContact CD2-CG 3.99Å; L14-L21 HydrophobicContact CG-CD1 3.85Å; L14-L21 HydrophobicContact CG-CD2 4.31Å; L14-L21 HydrophobicContact CG-CG 4.47Å; A18-L21 HydrophobicContact CB-CD2 4.32Å; L21-I59 HydrophobicContact CD1-CD1 3.95Å; L21-I59 HydrophobicContact CD1-CG1 3.69Å; L21-F74 PolarHBondContact N-O 3.28Å; L21-V75 WeakPolarHBondContact O-CA 3.41Å; L21-A76 PolarHBondContact O-N 3.01Å |
| 22 | E | 97.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.7 | 169.3 | -75 | 168 | -160.8 | 0 | 0 | 110.7 | A76 A125 W151 Y210 | E22-A76 CarbonylContact C-O 3.59Å; E22-A76 WeakPolarHBondContact CA-O 3.43Å; E22-A76 HydrophobicContact CG-CB 4.09Å; E22-A125 HydrophobicContact CG-CB 4.48Å; E22-W151 HydrophobicContact CG-CZ2 4.25Å; E22-W151 WeakPolarHBondContact OE1-CZ2 3.28Å; E22-Y210 WeakPolarHBondContact OE1-CE2 3.33Å |
| 23 | T | 98 | Very high | 96.1 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | trans | -71 | 148.5 | 176 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | T25 V52 A55 V75 A76 G77 S78 | T23-T25 PolarHBondContact O-N 3.22Å; T23-T25 PolarHBondContact OG1-OG1 3.4Å; T23-V52 HydrophobicContact CG2-CB 4.3Å; T23-V52 HydrophobicContact CG2-CG2 3.86Å; T23-A55 HydrophobicContact CG2-CB 4.38Å; T23-V75 HydrophobicContact CG2-CG1 3.54Å; T23-A76 PolarHBondContact N-O 3.12Å; T23-A76 PolarHBondContact OG1-O 3.34Å; T23-G77 WeakPolarHBondContact OG1-CA 3.23Å; T23-S78 VanDerWaalsContact O-CB 3.28Å; T23-S78 WeakPolarHBondContact O-CB 3.3Å; T23-S78 PolarHBondContact OG1-N 3.47Å | ||
| 24 | N | 96.5 | Very high | 96.2 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 62% | 0.62 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 57.7 | 176.2 | -173.7 | 43 | 0 | 0 | 0 | 111.8 | ||
| 25 | T | 97.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -7.9 | -172.3 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | T23 Q27 C28 L48 S78 | T23-T25 PolarHBondContact O-N 3.22Å; T23-T25 PolarHBondContact OG1-OG1 3.4Å; T25-Q27 PolarHBondContact O-N 3.34Å; T25-C28 WeakPolarHBondContact O-CB 3.44Å; T25-C28 PolarHBondContact O-N 2.73Å; T25-L48 HydrophobicContact CG2-CB 4.19Å; T25-L48 HydrophobicContact CG2-CG 4.07Å; T25-S78 WeakPolarHBondContact CB-O 3.46Å; T25-S78 PolarHBondContact OG1-O 3.04Å |
| 26 | Y | 97.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -56.3 | -176.2 | -179 | -103 | 0 | 0 | 0 | 114.5 | S78 P81 T84 E127 T128 | Y26-S78 WeakPolarHBondContact CA-OG 3.48Å; Y26-S78 WeakPolarHBondContact CB-OG 3.5Å; Y26-S78 PolarHBondContact N-OG 3.26Å; Y26-P81 VanDerWaalsContact OH-CD 3.29Å; Y26-P81 WeakPolarHBondContact OH-CD 3.45Å; Y26-T84 HydrophobicContact CE1-CG2 4.16Å; Y26-T84 WeakPolarHBondContact O-CG2 3.33Å; Y26-E127 HydrophobicContact CD2-CG 3.81Å; Y26-E127 WeakPolarHBondContact CD2-OE1 3.35Å; Y26-E127 HydrophobicContact CE2-CG 3.87Å; Y26-T128 WeakPolarHBondContact CE2-OG1 3.37Å; Y26-T128 VanDerWaalsContact OH-CB 3.24Å; Y26-T128 WeakPolarHBondContact OH-CB 3.48Å; Y26-T128 WeakPolarHBondContact OH-CG2 3.38Å; Y26-T128 PolarHBondContact OH-OG1 3.33Å |
| 27 | Q | 93.6 | Very high | 96.4 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7.2 | -178.9 | -60.1 | -160.5 | -16.7 | 0 | 0 | 114.5 | T25 A29 | T25-Q27 PolarHBondContact O-N 3.34Å; Q27-A29 PolarHBondContact O-N 2.96Å |
| 28 | C | 93.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | trans | -81.5 | 50.7 | -174.4 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | T25 L30 L33 L48 Q112 | T25-C28 WeakPolarHBondContact O-CB 3.44Å; T25-C28 PolarHBondContact O-N 2.73Å; C28-L30 PolarHBondContact O-N 2.56Å; C28-L33 HydrophobicContact CB-CD1 4.33Å; C28-L48 HydrophobicContact CB-CD1 3.54Å; C28-L48 HydrophobicContact CB-CG 4.11Å; C28-L48 WeakPolarHBondContact O-CD1 3.32Å; C28-Q112 PolarHBondContact O-OE1 3.44Å | ||
| 29 | A | 96.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | trans | -55 | 114.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q27 S31 N32 L33 V85 Y108 | Q27-A29 PolarHBondContact O-N 2.96Å; A29-S31 PolarHBondContact O-N 3.19Å; A29-S31 VanDerWaalsContact O-N 3.15Å; A29-N32 HydrophobicContact CB-CB 4.14Å; A29-N32 WeakPolarHBondContact O-CA 3.5Å; A29-N32 WeakPolarHBondContact O-CB 3.39Å; A29-N32 PolarHBondContact O-N 2.82Å; A29-L33 PolarHBondContact O-N 3.31Å; A29-V85 HydrophobicContact CB-CG2 4.01Å; A29-Y108 HydrophobicContact CB-CE2 3.98Å | ||
| 30 | L | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -48.9 | -43.1 | -178.2 | -65.7 | 177.6 | 0 | 0 | 0 | 112.8 | C28 N32 L33 V34 Y41 A44 Q45 L48 G111 Q112 | C28-L30 PolarHBondContact O-N 2.56Å; L30-N32 VanDerWaalsContact C-N 3.31Å; L30-N32 PolarHBondContact O-N 3.03Å; L30-L33 PolarHBondContact O-N 2.73Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.13Å; L30-Y41 HydrophobicContact CB-CD2 4.47Å; L30-Y41 HydrophobicContact CB-CE2 3.98Å; L30-Y41 HydrophobicContact CD1-CE1 4.3Å; L30-Y41 HydrophobicContact CD1-CE2 3.91Å; L30-Y41 WeakPolarHBondContact CD1-OH 3.37Å; L30-A44 HydrophobicContact CB-CB 4.42Å; L30-A44 HydrophobicContact CD2-CB 3.69Å; L30-A44 WeakPolarHBondContact CD2-O 3.31Å; L30-Q45 HydrophobicContact CD1-CG 3.96Å; L30-Q45 HydrophobicContact CD2-CB 4.46Å; L30-Q45 HydrophobicContact CD2-CG 4.06Å; L30-L48 HydrophobicContact CD2-CD1 3.81Å; L30-L48 HydrophobicContact CD2-CD2 4.18Å; L30-G111 VanDerWaalsContact CD1-C 3.47Å; L30-G111 WeakPolarHBondContact CD1-O 3.28Å; L30-Q112 VanDerWaalsContact N-NE2 3.2Å |
| 31 | S | 96.9 | Very high | 96.8 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 177.1 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | A29 V34 K35 | A29-S31 PolarHBondContact O-N 3.19Å; A29-S31 VanDerWaalsContact O-N 3.15Å; S31-V34 PolarHBondContact O-N 3.29Å; S31-K35 VanDerWaalsContact O-CB 3.24Å; S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 PolarHBondContact O-N 3.27Å |
| 32 | N | 96.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.3 | -34.4 | 178.8 | -72.7 | -12.8 | 0 | 0 | 0 | 112.4 | A29 L30 K35 Y36 T84 V85 H87 | A29-N32 HydrophobicContact CB-CB 4.14Å; A29-N32 WeakPolarHBondContact O-CA 3.5Å; A29-N32 WeakPolarHBondContact O-CB 3.39Å; A29-N32 PolarHBondContact O-N 2.82Å; L30-N32 VanDerWaalsContact C-N 3.31Å; L30-N32 PolarHBondContact O-N 3.03Å; N32-K35 PolarHBondContact O-N 2.98Å; N32-Y36 HydrophobicContact CB-CD2 3.8Å; N32-Y36 HydrophobicContact CB-CE2 4.02Å; N32-Y36 WeakPolarHBondContact O-CB 3.24Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 3.4Å; N32-Y36 WeakPolarHBondContact OD1-CE2 3.12Å; N32-T84 PolarHBondContact ND2-O 3.16Å; N32-V85 VanDerWaalsContact ND2-CA 3.29Å; N32-V85 WeakPolarHBondContact ND2-CA 3.36Å; N32-V85 PolarHBondContact ND2-O 2.74Å; N32-H87 PolarHBondContact ND2-CD2 3.47Å; N32-H87 PolarHBondContact ND2-NE2 2.9Å |
| 33 | L | 96.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 169.1 | -70 | 176.2 | 0 | 0 | 0 | 110.9 | C28 A29 L30 R37 G38 I39 A44 V47 L48 | C28-L33 HydrophobicContact CB-CD1 4.33Å; A29-L33 PolarHBondContact O-N 3.31Å; L30-L33 PolarHBondContact O-N 2.73Å; L33-R37 HydrophobicContact CD2-CG 3.94Å; L33-R37 WeakPolarHBondContact O-CA 3.25Å; L33-R37 WeakPolarHBondContact O-CB 3.17Å; L33-R37 PolarHBondContact O-N 3.22Å; L33-G38 PolarHBondContact O-N 3.1Å; L33-I39 HydrophobicContact CB-CD1 4.14Å; L33-I39 HydrophobicContact CB-CG1 4.39Å; L33-A44 HydrophobicContact CB-CB 3.72Å; L33-A44 HydrophobicContact CD1-CB 3.94Å; L33-V47 HydrophobicContact CD1-CB 4.08Å; L33-V47 HydrophobicContact CD1-CG1 4.15Å; L33-V47 HydrophobicContact CD1-CG2 4.46Å; L33-L48 HydrophobicContact CD1-CD1 4.02Å |
| 34 | V | 97.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L30 S31 G38 I39 Y41 A44 | L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.13Å; S31-V34 PolarHBondContact O-N 3.29Å; V34-G38 WeakPolarHBondContact O-CA 3.44Å; V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.16Å; V34-I39 WeakPolarHBondContact CA-O 3.12Å; V34-Y41 HydrophobicContact CG2-CD2 4.38Å; V34-A44 HydrophobicContact CG2-CB 4.24Å |
| 35 | K | 96.7 | Very high | 96.9 | Very high | 143 Ų | 143 | 65 Ų | 65 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.2 | -48.6 | -174.7 | -176.4 | -179.2 | 177.3 | -168.5 | 0 | 113.4 | S31 N32 | S31-K35 VanDerWaalsContact O-CB 3.24Å; S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 PolarHBondContact O-N 3.27Å; N32-K35 PolarHBondContact O-N 2.98Å |
| 36 | Y | 95.9 | Very high | 96.9 | Very high | 139 Ų | 139 | 68.2 Ų | 68.2 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -101.5 | -20.8 | -169.5 | -56.6 | -62.7 | 0 | 0 | 0 | 113.9 | N32 | N32-Y36 HydrophobicContact CB-CD2 3.8Å; N32-Y36 HydrophobicContact CB-CE2 4.02Å; N32-Y36 WeakPolarHBondContact O-CB 3.24Å; N32-Y36 WeakPolarHBondContact O-CD2 3.35Å; N32-Y36 PolarHBondContact O-N 3.4Å; N32-Y36 WeakPolarHBondContact OD1-CE2 3.12Å |
| 37 | R | 95.2 | Very high | 96.9 | Very high | 189 Ų | 189 | 69.1 Ų | 69.1 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -99.8 | -10.7 | 173.5 | -52.5 | -61.6 | -59.9 | -153.3 | -1.6 | 113.2 | L33 I39 | L33-R37 HydrophobicContact CD2-CG 3.94Å; L33-R37 WeakPolarHBondContact O-CA 3.25Å; L33-R37 WeakPolarHBondContact O-CB 3.17Å; L33-R37 PolarHBondContact O-N 3.22Å; R37-I39 VanDerWaalsContact C-N 3.28Å; R37-I39 HydrophobicContact CB-CG1 4.43Å; R37-I39 HydrophobicContact CB-CG2 4.36Å; R37-I39 PolarHBondContact O-N 3.32Å |
| 38 | G | 96.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 73% | 0.732 | 33% | 0.326 | S | S | * | . | trans | 67 | 26.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L33 V34 | L33-G38 PolarHBondContact O-N 3.1Å; V34-G38 WeakPolarHBondContact O-CA 3.44Å; V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.16Å | ||
| 39 | I | 97.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 65 Ų | 65 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | trans | -99.9 | 158.7 | 179.1 | 65.7 | 177.3 | 0 | 0 | 0 | 111.1 | L33 V34 R37 A43 A44 V47 | L33-I39 HydrophobicContact CB-CD1 4.14Å; L33-I39 HydrophobicContact CB-CG1 4.39Å; V34-I39 WeakPolarHBondContact CA-O 3.12Å; R37-I39 VanDerWaalsContact C-N 3.28Å; R37-I39 HydrophobicContact CB-CG1 4.43Å; R37-I39 HydrophobicContact CB-CG2 4.36Å; R37-I39 PolarHBondContact O-N 3.32Å; I39-A43 HydrophobicContact CB-CB 4.01Å; I39-A43 HydrophobicContact CD1-CB 4.23Å; I39-A43 HydrophobicContact CG1-CB 4.37Å; I39-A44 HydrophobicContact CD1-CB 4.09Å; I39-A44 HydrophobicContact CG1-CB 4.31Å; I39-V47 HydrophobicContact CD1-CG2 4.22Å | ||
| 40 | S | 98.2 | Very high | 97.4 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | trans | -66.7 | 158.3 | 175.4 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | R42 A43 A44 | S40-R42 VanDerWaalsContact C-N 3.25Å; S40-R42 PolarHBondContact O-N 2.95Å; S40-A43 WeakPolarHBondContact O-CB 3.43Å; S40-A43 PolarHBondContact O-N 3.45Å; S40-A43 WeakPolarHBondContact OG-CB 3.21Å; S40-A43 PolarHBondContact OG-N 3.15Å; S40-A43 VanDerWaalsContact OG-N 3.15Å; S40-A44 PolarHBondContact O-N 3.02Å | ||
| 41 | Y | 97.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 67.7 Ų | 67.7 | 45% | 0.447 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 175.9 | -171.9 | -94.4 | 0 | 0 | 0 | 112.1 | L30 V34 A43 A44 Q45 G111 | L30-Y41 HydrophobicContact CB-CD2 4.47Å; L30-Y41 HydrophobicContact CB-CE2 3.98Å; L30-Y41 HydrophobicContact CD1-CE1 4.3Å; L30-Y41 HydrophobicContact CD1-CE2 3.91Å; L30-Y41 WeakPolarHBondContact CD1-OH 3.37Å; V34-Y41 HydrophobicContact CG2-CD2 4.38Å; Y41-A43 PolarHBondContact O-N 2.84Å; Y41-A44 WeakPolarHBondContact O-CB 3.39Å; Y41-A44 PolarHBondContact O-N 3.48Å; Y41-Q45 HydrophobicContact CD1-CG 4.22Å; Y41-Q45 HydrophobicContact CE1-CG 4.01Å; Y41-Q45 WeakPolarHBondContact O-CG 3.48Å; Y41-Q45 PolarHBondContact O-N 2.96Å; Y41-G111 WeakPolarHBondContact OH-CA 2.91Å |
| 42 | R | 97.9 | Very high | 97.4 | Very high | 183 Ų | 183 | 65 Ų | 65 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 174.8 | -175.9 | 175.4 | -179.9 | -177.8 | 2.4 | 112.2 | S40 A44 Q45 D46 | S40-R42 VanDerWaalsContact C-N 3.25Å; S40-R42 PolarHBondContact O-N 2.95Å; R42-A44 VanDerWaalsContact C-N 3.3Å; R42-A44 PolarHBondContact O-N 2.97Å; R42-Q45 WeakPolarHBondContact O-CB 3.18Å; R42-Q45 PolarHBondContact O-N 3.47Å; R42-D46 VanDerWaalsContact O-CG 3.31Å; R42-D46 PolarHBondContact O-N 3Å |
| 43 | A | 98.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 69.1 Ų | 69.1 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I39 S40 Y41 D46 V47 | I39-A43 HydrophobicContact CB-CB 4.01Å; I39-A43 HydrophobicContact CD1-CB 4.23Å; I39-A43 HydrophobicContact CG1-CB 4.37Å; S40-A43 WeakPolarHBondContact O-CB 3.43Å; S40-A43 PolarHBondContact O-N 3.45Å; S40-A43 WeakPolarHBondContact OG-CB 3.21Å; S40-A43 PolarHBondContact OG-N 3.15Å; S40-A43 VanDerWaalsContact OG-N 3.15Å; Y41-A43 PolarHBondContact O-N 2.84Å; A43-D46 PolarHBondContact O-N 3.36Å; A43-V47 PolarHBondContact O-N 3.22Å; A43-V47 VanDerWaalsContact O-N 3.14Å |
| 44 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L30 L33 V34 I39 S40 Y41 R42 D46 V47 L48 | L30-A44 HydrophobicContact CB-CB 4.42Å; L30-A44 HydrophobicContact CD2-CB 3.69Å; L30-A44 WeakPolarHBondContact CD2-O 3.31Å; L33-A44 HydrophobicContact CB-CB 3.72Å; L33-A44 HydrophobicContact CD1-CB 3.94Å; V34-A44 HydrophobicContact CG2-CB 4.24Å; I39-A44 HydrophobicContact CD1-CB 4.09Å; I39-A44 HydrophobicContact CG1-CB 4.31Å; S40-A44 PolarHBondContact O-N 3.02Å; Y41-A44 WeakPolarHBondContact O-CB 3.39Å; Y41-A44 PolarHBondContact O-N 3.48Å; R42-A44 VanDerWaalsContact C-N 3.3Å; R42-A44 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact C-N 3.28Å; A44-D46 PolarHBondContact O-N 3.39Å; A44-V47 WeakPolarHBondContact O-CB 3.32Å; A44-V47 PolarHBondContact O-N 3.39Å; A44-V47 VanDerWaalsContact O-N 3.15Å; A44-L48 WeakPolarHBondContact O-CD1 3.47Å; A44-L48 PolarHBondContact O-N 2.99Å |
| 45 | Q | 98.2 | Very high | 97.3 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 173.6 | -64.5 | 176.8 | -47.9 | 0 | 0 | 111.6 | L30 Y41 R42 V47 L48 R49 A115 | L30-Q45 HydrophobicContact CD1-CG 3.96Å; L30-Q45 HydrophobicContact CD2-CB 4.46Å; L30-Q45 HydrophobicContact CD2-CG 4.06Å; Y41-Q45 HydrophobicContact CD1-CG 4.22Å; Y41-Q45 HydrophobicContact CE1-CG 4.01Å; Y41-Q45 WeakPolarHBondContact O-CG 3.48Å; Y41-Q45 PolarHBondContact O-N 2.96Å; R42-Q45 WeakPolarHBondContact O-CB 3.18Å; R42-Q45 PolarHBondContact O-N 3.47Å; Q45-V47 PolarHBondContact O-N 2.94Å; Q45-L48 PolarHBondContact O-N 3.05Å; Q45-L48 VanDerWaalsContact O-N 3.09Å; Q45-R49 WeakPolarHBondContact O-CG 3.15Å; Q45-R49 PolarHBondContact O-N 3.25Å; Q45-A115 HydrophobicContact CB-CB 4.05Å; Q45-A115 HydrophobicContact CG-CB 4.1Å |
| 46 | D | 97.9 | Very high | 97.3 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -27.6 | 177.8 | -66.5 | -25.2 | 0 | 0 | 0 | 112.8 | R42 A43 A44 R49 L50 | R42-D46 VanDerWaalsContact O-CG 3.31Å; R42-D46 PolarHBondContact O-N 3Å; A43-D46 PolarHBondContact O-N 3.36Å; A44-D46 VanDerWaalsContact C-N 3.28Å; A44-D46 PolarHBondContact O-N 3.39Å; D46-R49 IonicContact OD1-CZ 2.85Å; D46-R49 IonicContact OD1-NH1 2.7Å; D46-R49 PolarHBondContact OD1-NH1 2.06Å; D46-L50 VanDerWaalsContact O-CB 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.35Å; D46-L50 PolarHBondContact O-N 2.9Å |
| 47 | V | 97.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | L33 I39 A43 A44 Q45 L50 G51 | L33-V47 HydrophobicContact CD1-CB 4.08Å; L33-V47 HydrophobicContact CD1-CG1 4.15Å; L33-V47 HydrophobicContact CD1-CG2 4.46Å; I39-V47 HydrophobicContact CD1-CG2 4.22Å; A43-V47 PolarHBondContact O-N 3.22Å; A43-V47 VanDerWaalsContact O-N 3.14Å; A44-V47 WeakPolarHBondContact O-CB 3.32Å; A44-V47 PolarHBondContact O-N 3.39Å; A44-V47 VanDerWaalsContact O-N 3.15Å; Q45-V47 PolarHBondContact O-N 2.94Å; V47-L50 WeakPolarHBondContact O-CB 3.43Å; V47-L50 PolarHBondContact O-N 3.46Å; V47-G51 PolarHBondContact O-N 3.18Å; V47-G51 VanDerWaalsContact O-N 3.14Å |
| 48 | L | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 178 | -81.8 | 66.4 | 0 | 0 | 0 | 111.1 | T25 C28 L30 L33 A44 Q45 L50 G51 V52 A115 V116 | T25-L48 HydrophobicContact CG2-CB 4.19Å; T25-L48 HydrophobicContact CG2-CG 4.07Å; C28-L48 HydrophobicContact CB-CD1 3.54Å; C28-L48 HydrophobicContact CB-CG 4.11Å; C28-L48 WeakPolarHBondContact O-CD1 3.32Å; L30-L48 HydrophobicContact CD2-CD1 3.81Å; L30-L48 HydrophobicContact CD2-CD2 4.18Å; L33-L48 HydrophobicContact CD1-CD1 4.02Å; A44-L48 WeakPolarHBondContact O-CD1 3.47Å; A44-L48 PolarHBondContact O-N 2.99Å; Q45-L48 PolarHBondContact O-N 3.05Å; Q45-L48 VanDerWaalsContact O-N 3.09Å; L48-L50 VanDerWaalsContact C-N 3.26Å; L48-L50 PolarHBondContact O-N 3.05Å; L48-G51 WeakPolarHBondContact O-CA 3.47Å; L48-G51 PolarHBondContact O-N 2.84Å; L48-V52 PolarHBondContact O-N 3.45Å; L48-A115 HydrophobicContact CB-CB 4.02Å; L48-A115 HydrophobicContact CD2-CB 3.88Å; L48-V116 HydrophobicContact CB-CG2 4.31Å; L48-V116 HydrophobicContact CD2-CG2 3.98Å; L48-V116 HydrophobicContact CG-CG2 4.47Å |
| 49 | R | 98.2 | Very high | 97.1 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.2 | -39.9 | 174.7 | -63.9 | -177.9 | -175.3 | 108.1 | 7.7 | 111.7 | Q45 D46 G51 V52 Q53 A115 S118 A119 | Q45-R49 WeakPolarHBondContact O-CG 3.15Å; Q45-R49 PolarHBondContact O-N 3.25Å; D46-R49 IonicContact OD1-CZ 2.85Å; D46-R49 IonicContact OD1-NH1 2.7Å; D46-R49 PolarHBondContact OD1-NH1 2.06Å; R49-G51 VanDerWaalsContact C-N 3.31Å; R49-G51 PolarHBondContact O-N 2.8Å; R49-V52 WeakPolarHBondContact O-CB 3.47Å; R49-V52 PolarHBondContact O-N 2.87Å; R49-Q53 WeakPolarHBondContact O-CG 3.25Å; R49-Q53 PolarHBondContact O-N 2.88Å; R49-A115 WeakPolarHBondContact CG-O 3.24Å; R49-S118 PolarHBondContact NE-OG 3.3Å; R49-A119 HydrophobicContact CB-CB 4.05Å; R49-A119 HydrophobicContact CG-CB 4.03Å |
| 50 | L | 97.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 175 | 176.5 | 64.5 | 0 | 0 | 0 | 111.9 | D46 V47 L48 V52 Q53 L54 | D46-L50 VanDerWaalsContact O-CB 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.35Å; D46-L50 PolarHBondContact O-N 2.9Å; V47-L50 WeakPolarHBondContact O-CB 3.43Å; V47-L50 PolarHBondContact O-N 3.46Å; L48-L50 VanDerWaalsContact C-N 3.26Å; L48-L50 PolarHBondContact O-N 3.05Å; L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 3.12Å; L50-Q53 PolarHBondContact O-N 2.85Å; L50-L54 HydrophobicContact CD1-CD1 4.32Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.04Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.27Å; L50-L54 WeakPolarHBondContact O-CB 3.14Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.35Å |
| 51 | G | 97.2 | Very high | 96.6 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V47 L48 R49 A55 | V47-G51 PolarHBondContact O-N 3.18Å; V47-G51 VanDerWaalsContact O-N 3.14Å; L48-G51 WeakPolarHBondContact O-CA 3.47Å; L48-G51 PolarHBondContact O-N 2.84Å; R49-G51 VanDerWaalsContact C-N 3.31Å; R49-G51 PolarHBondContact O-N 2.8Å; G51-A55 PolarHBondContact O-N 3.31Å |
| 52 | V | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | T23 L48 R49 L50 L54 A55 R56 V75 V116 A119 V121 | T23-V52 HydrophobicContact CG2-CB 4.3Å; T23-V52 HydrophobicContact CG2-CG2 3.86Å; L48-V52 PolarHBondContact O-N 3.45Å; R49-V52 WeakPolarHBondContact O-CB 3.47Å; R49-V52 PolarHBondContact O-N 2.87Å; L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 3.12Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.04Å; V52-A55 PolarHBondContact O-N 3.29Å; V52-R56 PolarHBondContact O-N 2.95Å; V52-R56 VanDerWaalsContact O-N 3.1Å; V52-V75 HydrophobicContact CG1-CG1 4.36Å; V52-V116 HydrophobicContact CG2-CG1 4.21Å; V52-A119 HydrophobicContact CB-CB 3.62Å; V52-A119 HydrophobicContact CG1-CB 3.72Å; V52-A119 HydrophobicContact CG2-CB 3.75Å; V52-V121 HydrophobicContact CB-CG1 4.28Å; V52-V121 HydrophobicContact CG1-CG1 3.64Å; V52-V121 HydrophobicContact CG2-CG1 3.62Å |
| 53 | Q | 97 | Very high | 95.9 | Very high | 101 Ų | 101 | 37.6 Ų | 37.6 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 178.2 | -71 | 170.9 | -5.3 | 0 | 0 | 112.4 | R49 L50 A55 R56 Q57 | R49-Q53 WeakPolarHBondContact O-CG 3.25Å; R49-Q53 PolarHBondContact O-N 2.88Å; L50-Q53 PolarHBondContact O-N 2.85Å; Q53-A55 VanDerWaalsContact C-N 3.33Å; Q53-A55 PolarHBondContact O-N 3.34Å; Q53-R56 PolarHBondContact O-N 2.81Å; Q53-Q57 WeakPolarHBondContact O-CB 3.32Å; Q53-Q57 VanDerWaalsContact O-CG 3.3Å; Q53-Q57 WeakPolarHBondContact O-CG 3.31Å; Q53-Q57 PolarHBondContact O-N 3.11Å |
| 54 | L | 96.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 178.4 | -70.9 | 172 | 0 | 0 | 0 | 111.9 | K3 I6 M7 L50 V52 A58 | K3-L54 HydrophobicContact CB-CD2 3.93Å; K3-L54 HydrophobicContact CD-CD2 4.36Å; K3-L54 HydrophobicContact CG-CD1 4.39Å; K3-L54 HydrophobicContact CG-CD2 4.13Å; I6-L54 HydrophobicContact CB-CD1 4.39Å; I6-L54 HydrophobicContact CD1-CD1 4.02Å; I6-L54 HydrophobicContact CG2-CB 4.39Å; I6-L54 HydrophobicContact CG2-CD1 4.16Å; M7-L54 HydrophobicContact CG-CD2 3.98Å; M7-L54 HydrophobicContact SD-CD2 4.05Å; L50-L54 HydrophobicContact CD1-CD1 4.32Å; L50-L54 HydrophobicContact CD1-CD2 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.04Å; L50-L54 HydrophobicContact CG-CD1 4.07Å; L50-L54 HydrophobicContact CG-CG 4.27Å; L50-L54 WeakPolarHBondContact O-CB 3.14Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.35Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.04Å; L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.25Å; L54-A58 PolarHBondContact O-N 3.44Å |
| 55 | A | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I10 T23 G51 V52 Q53 A58 I59 V75 | I10-A55 HydrophobicContact CD1-CB 4.25Å; T23-A55 HydrophobicContact CG2-CB 4.38Å; G51-A55 PolarHBondContact O-N 3.31Å; V52-A55 PolarHBondContact O-N 3.29Å; Q53-A55 VanDerWaalsContact C-N 3.33Å; Q53-A55 PolarHBondContact O-N 3.34Å; A55-A58 PolarHBondContact O-N 2.97Å; A55-I59 WeakPolarHBondContact O-CG1 3.11Å; A55-I59 PolarHBondContact O-N 3.26Å; A55-V75 HydrophobicContact CB-CG1 3.82Å; A55-V75 HydrophobicContact CB-CG2 3.96Å |
| 56 | R | 95.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 47 Ų | 47 | 24% | 0.242 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.8 | -68.6 | -68.3 | -174.5 | -158.7 | 2.6 | 112.4 | V52 Q53 A58 I59 E60 V75 G120 D122 | V52-R56 PolarHBondContact O-N 2.95Å; V52-R56 VanDerWaalsContact O-N 3.1Å; Q53-R56 PolarHBondContact O-N 2.81Å; R56-A58 VanDerWaalsContact C-N 3.27Å; R56-A58 PolarHBondContact O-N 2.95Å; R56-I59 WeakPolarHBondContact O-CB 3.34Å; R56-I59 PolarHBondContact O-N 3.44Å; R56-I59 VanDerWaalsContact O-N 3.14Å; R56-E60 WeakPolarHBondContact O-CG 3.4Å; R56-E60 PolarHBondContact O-N 3Å; R56-V75 HydrophobicContact CG-CG2 4.23Å; R56-G120 PolarHBondContact NH2-O 3.37Å; R56-D122 IonicContact CZ-OD1 2.56Å; R56-D122 IonicContact CZ-OD2 2.74Å; R56-D122 IonicContact NH1-OD1 3.26Å; R56-D122 PolarHBondContact NH1-OD1 2.9Å; R56-D122 IonicContact NH1-OD2 3.28Å; R56-D122 PolarHBondContact NH1-OD2 3.09Å; R56-D122 IonicContact NH2-OD1 3.6Å; R56-D122 PolarHBondContact NH2-OD1 3.03Å; R56-D122 IonicContact NH2-OD2 3.44Å; R56-D122 PolarHBondContact NH2-OD2 3.07Å |
| 57 | Q | 95.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 178.3 | -72.7 | 175.6 | -7.5 | 0 | 0 | 112.2 | M7 Q53 S61 | M7-Q57 HydrophobicContact CE-CB 3.77Å; M7-Q57 HydrophobicContact SD-CB 4.42Å; Q53-Q57 WeakPolarHBondContact O-CB 3.32Å; Q53-Q57 VanDerWaalsContact O-CG 3.3Å; Q53-Q57 WeakPolarHBondContact O-CG 3.31Å; Q53-Q57 PolarHBondContact O-N 3.11Å; Q57-S61 VanDerWaalsContact O-CB 3.23Å; Q57-S61 WeakPolarHBondContact O-CB 3.28Å; Q57-S61 PolarHBondContact O-N 3.36Å |
| 58 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M7 I10 R11 L54 A55 R56 H62 | M7-A58 HydrophobicContact CB-CB 4.34Å; M7-A58 HydrophobicContact CG-CB 4.4Å; I10-A58 HydrophobicContact CB-CB 3.82Å; I10-A58 HydrophobicContact CD1-CB 4.3Å; I10-A58 HydrophobicContact CG2-CB 3.49Å; I10-A58 VanDerWaalsContact CG2-CB 3.49Å; R11-A58 HydrophobicContact CG-CB 4.35Å; L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.25Å; L54-A58 PolarHBondContact O-N 3.44Å; A55-A58 PolarHBondContact O-N 2.97Å; R56-A58 VanDerWaalsContact C-N 3.27Å; R56-A58 PolarHBondContact O-N 2.95Å; A58-H62 VanDerWaalsContact O-CB 3.24Å; A58-H62 WeakPolarHBondContact O-CB 3.38Å; A58-H62 PolarHBondContact O-N 2.83Å |
| 59 | I | 94.1 | Very high | 90 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 173.1 | -68.2 | 165.4 | 0 | 0 | 0 | 110.5 | L14 L21 A55 R56 S61 H62 C63 F73 V75 | L14-I59 HydrophobicContact CD1-CG1 4.13Å; L14-I59 HydrophobicContact CD2-CG1 4.41Å; L21-I59 HydrophobicContact CD1-CD1 3.95Å; L21-I59 HydrophobicContact CD1-CG1 3.69Å; A55-I59 WeakPolarHBondContact O-CG1 3.11Å; A55-I59 PolarHBondContact O-N 3.26Å; R56-I59 WeakPolarHBondContact O-CB 3.34Å; R56-I59 PolarHBondContact O-N 3.44Å; R56-I59 VanDerWaalsContact O-N 3.14Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.81Å; I59-H62 WeakPolarHBondContact O-CB 3.4Å; I59-H62 PolarHBondContact O-N 3.12Å; I59-H62 VanDerWaalsContact O-N 3.15Å; I59-C63 WeakPolarHBondContact O-CB 3.34Å; I59-C63 PolarHBondContact O-N 3.25Å; I59-C63 PolarHBondContact O-SG 3.46Å; I59-F73 HydrophobicContact CD1-CB 3.92Å; I59-F73 HydrophobicContact CG1-CB 4.11Å; I59-F73 HydrophobicContact CG2-CB 3.78Å; I59-F73 HydrophobicContact CG2-CD2 3.88Å; I59-F73 HydrophobicContact CG2-CG 4.06Å; I59-V75 HydrophobicContact CD1-CG2 3.46Å; I59-V75 VanDerWaalsContact CD1-CG2 3.46Å |
| 60 | E | 93 | Very high | 88.1 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -56.7 | -48 | 179.4 | -72.7 | 169.2 | -172.5 | 0 | 0 | 111.5 | R56 H62 C63 A64 | R56-E60 WeakPolarHBondContact O-CG 3.4Å; R56-E60 PolarHBondContact O-N 3Å; E60-H62 PolarHBondContact O-N 3.08Å; E60-C63 PolarHBondContact O-N 3.25Å; E60-A64 WeakPolarHBondContact O-CB 3.22Å; E60-A64 PolarHBondContact O-N 3.04Å |
| 61 | S | 92.2 | Very high | 86.7 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | R11 Q57 I59 E65 | R11-S61 PolarHBondContact NH1-OG 3.02Å; Q57-S61 VanDerWaalsContact O-CB 3.23Å; Q57-S61 WeakPolarHBondContact O-CB 3.28Å; Q57-S61 PolarHBondContact O-N 3.36Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.81Å; S61-E65 WeakPolarHBondContact O-CG 3.09Å; S61-E65 PolarHBondContact O-N 3.1Å |
| 62 | H | 91.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.028 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.5 | -178.3 | 78.7 | 0 | 0 | 0 | 111.8 | R11 L14 A58 I59 E60 E65 N66 M69 F73 | R11-H62 HydrophobicContact CG-CB 4.46Å; L14-H62 HydrophobicContact CD1-CB 3.65Å; A58-H62 VanDerWaalsContact O-CB 3.24Å; A58-H62 WeakPolarHBondContact O-CB 3.38Å; A58-H62 PolarHBondContact O-N 2.83Å; I59-H62 WeakPolarHBondContact O-CB 3.4Å; I59-H62 PolarHBondContact O-N 3.12Å; I59-H62 VanDerWaalsContact O-N 3.15Å; E60-H62 PolarHBondContact O-N 3.08Å; H62-E65 PolarHBondContact O-N 2.75Å; H62-N66 WeakPolarHBondContact O-CB 3.23Å; H62-N66 PolarHBondContact O-N 2.93Å; H62-N66 PolarHBondContact O-ND2 3.25Å; H62-M69 VanDerWaalsContact NE2-CE 3.34Å; H62-M69 WeakPolarHBondContact NE2-CE 3.45Å; H62-F73 AromaticContact CD2-CZ 3.83Å |
| 63 | C | 90.8 | Very high | 85.9 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 178.2 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | I59 E60 E65 N66 A67 F73 | I59-C63 WeakPolarHBondContact O-CB 3.34Å; I59-C63 PolarHBondContact O-N 3.25Å; I59-C63 PolarHBondContact O-SG 3.46Å; E60-C63 PolarHBondContact O-N 3.25Å; C63-E65 VanDerWaalsContact C-N 3.29Å; C63-E65 PolarHBondContact O-N 3.19Å; C63-N66 CarbonylContact O-C 3.55Å; C63-N66 VanDerWaalsContact O-C 3.3Å; C63-N66 PolarHBondContact O-N 2.74Å; C63-A67 PolarHBondContact O-N 2.95Å; C63-F73 VanDerWaalsContact SG-CE2 3.54Å |
| 64 | A | 90.4 | Very high | 85.9 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 69% | 0.686 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E60 | E60-A64 WeakPolarHBondContact O-CB 3.22Å; E60-A64 PolarHBondContact O-N 3.04Å |
| 65 | E | 88.4 | Confident | 86 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -82.9 | -20.5 | 178.1 | -66.4 | 173.5 | -166.8 | 0 | 0 | 113.2 | R11 S61 H62 C63 | R11-E65 IonicContact CZ-OE1 2.76Å; R11-E65 VanDerWaalsContact CZ-OE1 3.26Å; R11-E65 IonicContact CZ-OE2 3.03Å; R11-E65 VanDerWaalsContact CZ-OE2 3.28Å; R11-E65 IonicContact NH1-OE1 2.67Å; R11-E65 PolarHBondContact NH1-OE1 2.88Å; R11-E65 IonicContact NH1-OE2 3.87Å; R11-E65 IonicContact NH2-OE1 2.98Å; R11-E65 PolarHBondContact NH2-OE1 2.89Å; R11-E65 IonicContact NH2-OE2 2.73Å; R11-E65 PolarHBondContact NH2-OE2 3.43Å; S61-E65 WeakPolarHBondContact O-CG 3.09Å; S61-E65 PolarHBondContact O-N 3.1Å; H62-E65 PolarHBondContact O-N 2.75Å; C63-E65 VanDerWaalsContact C-N 3.29Å; C63-E65 PolarHBondContact O-N 3.19Å |
| 66 | N | 84.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -124.5 | 52.3 | -175.3 | -61.3 | -87.9 | 0 | 0 | 0 | 111.2 | H62 C63 A68 M69 | H62-N66 WeakPolarHBondContact O-CB 3.23Å; H62-N66 PolarHBondContact O-N 2.93Å; H62-N66 PolarHBondContact O-ND2 3.25Å; C63-N66 CarbonylContact O-C 3.55Å; C63-N66 VanDerWaalsContact O-C 3.3Å; C63-N66 PolarHBondContact O-N 2.74Å; N66-A68 PolarHBondContact O-N 2.97Å; N66-M69 HydrophobicContact CB-CB 4.26Å; N66-M69 HydrophobicContact CB-CE 3.5Å; N66-M69 VanDerWaalsContact CB-CE 3.5Å; N66-M69 HydrophobicContact CB-CG 4.39Å; N66-M69 WeakPolarHBondContact O-CA 3.39Å; N66-M69 WeakPolarHBondContact O-CB 3.3Å; N66-M69 PolarHBondContact O-N 3.2Å | ||
| 67 | A | 72.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C63 M69 | C63-A67 PolarHBondContact O-N 2.95Å; A67-M69 VanDerWaalsContact C-N 3.31Å |
| 68 | A | 64.7 | Low | 86.4 | Confident | 103 Ų | 103 | 60 Ų | 60 | 85% | 0.851 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N66 K70 | N66-A68 PolarHBondContact O-N 2.97Å; A68-K70 PolarHBondContact O-N 3.38Å |
| 69 | M | 61.8 | Low | 86.6 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 27% | 0.271 | 33% | 0.334 | S | S | . | . | trans | -90.9 | 69.2 | 177.2 | -68.3 | -156.6 | -75.8 | 0 | 0 | 110.9 | H62 N66 A67 R71 | H62-M69 VanDerWaalsContact NE2-CE 3.34Å; H62-M69 WeakPolarHBondContact NE2-CE 3.45Å; N66-M69 HydrophobicContact CB-CB 4.26Å; N66-M69 HydrophobicContact CB-CE 3.5Å; N66-M69 VanDerWaalsContact CB-CE 3.5Å; N66-M69 HydrophobicContact CB-CG 4.39Å; N66-M69 WeakPolarHBondContact O-CA 3.39Å; N66-M69 WeakPolarHBondContact O-CB 3.3Å; N66-M69 PolarHBondContact O-N 3.2Å; A67-M69 VanDerWaalsContact C-N 3.31Å; M69-R71 PolarHBondContact O-N 3.1Å | ||
| 70 | K | 57.6 | Low | 86.8 | Confident | 204 Ų | 204 | 59.3 Ų | 59.3 | 89% | 0.887 | 33% | 0.329 | S | S | * | . | trans | -67.9 | 82.7 | 163.4 | -73.8 | -173.1 | 178.2 | -177.1 | 0 | 109.4 | A68 | A68-K70 PolarHBondContact O-N 3.38Š| ||
| 71 | R | 68.2 | Low | 87 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | trans | -114.2 | 140.6 | 170.6 | -65.5 | -178.7 | 179.3 | -175.6 | 2.5 | 108.3 | M69 F73 | M69-R71 PolarHBondContact O-N 3.1Å; R71-F73 HydrophobicContact CB-CE1 4.21Å; R71-F73 HydrophobicContact CB-CE2 3.99Å; R71-F73 HydrophobicContact CB-CZ 3.83Å; R71-F73 WeakPolarHBondContact O-CD2 3.27Å; R71-F73 WeakPolarHBondContact O-CE2 3.48Å; R71-F73 PolarHBondContact O-N 3.09Å | ||
| 72 | D | 85.2 | Confident | 87.3 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 68% | 0.684 | 29% | 0.294 | S | S | * | . | trans | -72.2 | 118.1 | 167.7 | -58.6 | -39.9 | 0 | 0 | 0 | 107.8 | F74 | D72-F74 HydrophobicContact CB-CE2 3.91Å; D72-F74 HydrophobicContact CB-CZ 4.04Å | ||
| 73 | F | 94.3 | Very high | 87.6 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | trans | -107.4 | 139.5 | 175.5 | -62 | -75.3 | 0 | 0 | 0 | 109.2 | L14 K19 I59 H62 C63 R71 | L14-F73 HydrophobicContact CD2-CD1 3.4Å; L14-F73 HydrophobicContact CD2-CE1 3.51Å; L14-F73 HydrophobicContact CD2-CG 4.22Å; L14-F73 HydrophobicContact CD2-CZ 4.38Å; K19-F73 CarbonylContact O-C 3.56Å; K19-F73 VanDerWaalsContact O-CA 3.29Å; K19-F73 WeakPolarHBondContact O-CA 3.26Å; I59-F73 HydrophobicContact CD1-CB 3.92Å; I59-F73 HydrophobicContact CG1-CB 4.11Å; I59-F73 HydrophobicContact CG2-CB 3.78Å; I59-F73 HydrophobicContact CG2-CD2 3.88Å; I59-F73 HydrophobicContact CG2-CG 4.06Å; H62-F73 AromaticContact CD2-CZ 3.83Å; C63-F73 VanDerWaalsContact SG-CE2 3.54Å; R71-F73 HydrophobicContact CB-CE1 4.21Å; R71-F73 HydrophobicContact CB-CE2 3.99Å; R71-F73 HydrophobicContact CB-CZ 3.83Å; R71-F73 WeakPolarHBondContact O-CD2 3.27Å; R71-F73 WeakPolarHBondContact O-CE2 3.48Å; R71-F73 PolarHBondContact O-N 3.09Å | ||
| 74 | F | 96.9 | Very high | 87.7 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.8 | -179 | -58.6 | -87.1 | 0 | 0 | 0 | 110.7 | K19 V20 L21 D72 D122 | K19-F74 PolarHBondContact O-N 2.87Å; V20-F74 WeakPolarHBondContact CA-O 3.42Å; V20-F74 HydrophobicContact CG1-CB 4.4Å; V20-F74 HydrophobicContact CG2-CB 4.25Å; V20-F74 HydrophobicContact CG2-CD2 4.32Å; L21-F74 PolarHBondContact N-O 3.28Å; D72-F74 HydrophobicContact CB-CE2 3.91Å; D72-F74 HydrophobicContact CB-CZ 4.04Å; F74-D122 WeakPolarHBondContact CA-OD2 3.33Å; F74-D122 HydrophobicContact CB-CB 4.21Å; F74-D122 HydrophobicContact CD1-CB 3.87Å |
| 75 | V | 98.2 | Very high | 88 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.9 | 170.8 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | L21 T23 V52 A55 R56 I59 V121 D122 C123 | L21-V75 WeakPolarHBondContact O-CA 3.41Å; T23-V75 HydrophobicContact CG2-CG1 3.54Å; V52-V75 HydrophobicContact CG1-CG1 4.36Å; A55-V75 HydrophobicContact CB-CG1 3.82Å; A55-V75 HydrophobicContact CB-CG2 3.96Å; R56-V75 HydrophobicContact CG-CG2 4.23Å; I59-V75 HydrophobicContact CD1-CG2 3.46Å; I59-V75 VanDerWaalsContact CD1-CG2 3.46Å; V75-V121 HydrophobicContact CG1-CG1 4.26Å; V75-D122 PolarHBondContact N-OD2 3.13Å; V75-D122 PolarHBondContact O-N 2.87Å; V75-C123 PolarHBondContact O-N 2.9Å |
| 76 | A | 98.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | V20 L21 E22 T23 S78 C123 A125 W151 | V20-A76 HydrophobicContact CG1-CB 3.87Å; L21-A76 PolarHBondContact O-N 3.01Å; E22-A76 CarbonylContact C-O 3.59Å; E22-A76 WeakPolarHBondContact CA-O 3.43Å; E22-A76 HydrophobicContact CG-CB 4.09Å; T23-A76 PolarHBondContact N-O 3.12Å; T23-A76 PolarHBondContact OG1-O 3.34Å; A76-S78 PolarHBondContact O-N 3.36Å; A76-C123 CarbonylContact C-O 3.3Å; A76-C123 WeakPolarHBondContact CA-O 3.27Å; A76-C123 VanDerWaalsContact CB-SG 3.55Å; A76-A125 HydrophobicContact CB-CB 4.31Å; A76-W151 HydrophobicContact CB-CH2 3.27Å; A76-W151 HydrophobicContact CB-CZ2 4.04Å; A76-W151 HydrophobicContact CB-CZ3 3.84Å |
| 77 | G | 98.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 107.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T23 C123 L124 A125 | T23-G77 WeakPolarHBondContact OG1-CA 3.23Å; G77-C123 PolarHBondContact N-O 3.24Å; G77-L124 WeakPolarHBondContact O-CD1 3.49Å; G77-A125 PolarHBondContact O-N 2.9Å |
| 78 | S | 98.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.6 | 178.1 | 164 | 0 | 0 | 0 | 0 | 111.6 | T23 T25 Y26 A76 E127 | T23-S78 VanDerWaalsContact O-CB 3.28Å; T23-S78 WeakPolarHBondContact O-CB 3.3Å; T23-S78 PolarHBondContact OG1-N 3.47Å; T25-S78 WeakPolarHBondContact CB-O 3.46Å; T25-S78 PolarHBondContact OG1-O 3.04Å; Y26-S78 WeakPolarHBondContact CA-OG 3.48Å; Y26-S78 WeakPolarHBondContact CB-OG 3.5Å; Y26-S78 PolarHBondContact N-OG 3.26Å; A76-S78 PolarHBondContact O-N 3.36Å; S78-E127 WeakPolarHBondContact CB-OE1 3.45Å; S78-E127 PolarHBondContact OG-OE1 2.88Å |
| 79 | V | 98.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 111.1 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | F109 Q112 V116 L124 A125 I126 E127 | V79-F109 HydrophobicContact CG1-CD1 3.83Å; V79-F109 HydrophobicContact CG1-CE1 4Å; V79-Q112 HydrophobicContact CG1-CB 3.72Å; V79-Q112 HydrophobicContact CG1-CG 4.16Å; V79-Q112 HydrophobicContact CG2-CB 4.09Å; V79-V116 HydrophobicContact CG2-CG2 4.3Å; V79-L124 HydrophobicContact CG2-CD1 3.82Å; V79-A125 PolarHBondContact N-O 3.01Å; V79-I126 WeakPolarHBondContact O-CA 3.44Å; V79-E127 PolarHBondContact O-N 2.81Å |
| 80 | G | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -76.9 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y108 | G80-Y108 VanDerWaalsContact O-CE1 3.29Å; G80-Y108 WeakPolarHBondContact O-CE1 3.12Å; G80-Y108 PolarHBondContact O-OH 3.47Å | ||
| 81 | P | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -69.1 | 168.6 | 177.2 | 30.8 | -34.6 | 0 | 0 | 0 | 112 | Y26 A83 T84 E91 Y96 Y108 E127 L129 | Y26-P81 VanDerWaalsContact OH-CD 3.29Å; Y26-P81 WeakPolarHBondContact OH-CD 3.45Å; P81-A83 HydrophobicContact CB-CB 4.49Å; P81-A83 HydrophobicContact CG-CB 4.17Å; P81-A83 PolarHBondContact O-N 3.29Å; P81-T84 WeakPolarHBondContact O-CB 3.24Å; P81-T84 VanDerWaalsContact O-CG2 3.25Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å; P81-T84 PolarHBondContact O-N 3.02Å; P81-T84 VanDerWaalsContact O-N 3.08Å; P81-T84 PolarHBondContact O-OG1 3.41Å; P81-E91 HydrophobicContact CG-CB 3.58Å; P81-Y96 WeakPolarHBondContact CB-OH 3.35Å; P81-Y108 PolarHBondContact O-OH 2.68Å; P81-E127 WeakPolarHBondContact CD-O 3.45Å; P81-L129 HydrophobicContact CB-CD2 3.92Å | ||
| 82 | Y | 98.2 | Very high | 94.5 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.8 | 174.3 | -179.7 | -92.4 | 0 | 0 | 0 | 112.6 | T84 V85 L86 Y96 V100 L104 I105 Y108 E134 | Y82-T84 PolarHBondContact O-N 3.08Å; Y82-V85 HydrophobicContact CD2-CG2 4Å; Y82-V85 HydrophobicContact CE1-CB 4.42Å; Y82-V85 HydrophobicContact CE2-CB 4.24Å; Y82-V85 HydrophobicContact CE2-CG1 4.46Å; Y82-V85 HydrophobicContact CE2-CG2 3.94Å; Y82-V85 WeakPolarHBondContact O-CA 3.47Å; Y82-V85 VanDerWaalsContact O-CB 3.22Å; Y82-V85 WeakPolarHBondContact O-CB 3.43Å; Y82-V85 WeakPolarHBondContact O-CG2 3.48Å; Y82-V85 PolarHBondContact O-N 2.83Å; Y82-L86 HydrophobicContact CD1-CD1 4.44Å; Y82-L86 HydrophobicContact CD1-CG 4.38Å; Y82-L86 HydrophobicContact CE1-CD1 4.4Å; Y82-L86 HydrophobicContact CE1-CD2 4.01Å; Y82-L86 HydrophobicContact CE1-CG 4.12Å; Y82-Y96 AromaticContact CD1-CD2 3.82Å; Y82-Y96 HydrophobicContact CD1-CD2 3.82Å; Y82-Y96 AromaticContact CD1-CE2 3.93Å; Y82-Y96 HydrophobicContact CD1-CE2 3.93Å; Y82-Y96 HydrophobicContact CG-CE2 4.31Å; Y82-V100 HydrophobicContact CD1-CG1 4.1Å; Y82-V100 HydrophobicContact CD1-CG2 4.31Å; Y82-V100 HydrophobicContact CE1-CB 4.29Å; Y82-V100 HydrophobicContact CE1-CG1 3.6Å; Y82-V100 HydrophobicContact CE1-CG2 3.8Å; Y82-V100 HydrophobicContact CE2-CG1 4.49Å; Y82-L104 HydrophobicContact CE2-CB 4.34Å; Y82-I105 HydrophobicContact CD1-CG1 4.39Å; Y82-I105 HydrophobicContact CD2-CB 4.49Å; Y82-I105 HydrophobicContact CD2-CG1 4.13Å; Y82-I105 HydrophobicContact CG-CG1 3.97Å; Y82-Y108 HydrophobicContact CD2-CD1 4.17Å; Y82-Y108 AromaticContact CD2-CG 3.85Å; Y82-Y108 HydrophobicContact CD2-CG 3.85Å; Y82-E134 VanDerWaalsContact CB-OE1 3.3Å; Y82-E134 WeakPolarHBondContact CB-OE1 3.49Å; Y82-E134 PolarHBondContact N-OE1 3.36Å |
| 83 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.3 | -25.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P81 V85 L86 H87 S90 E91 Y96 | P81-A83 HydrophobicContact CB-CB 4.49Å; P81-A83 HydrophobicContact CG-CB 4.17Å; P81-A83 PolarHBondContact O-N 3.29Å; A83-V85 PolarHBondContact O-N 3.16Å; A83-L86 WeakPolarHBondContact O-CB 3.33Å; A83-L86 PolarHBondContact O-N 2.76Å; A83-H87 PolarHBondContact O-N 3.49Å; A83-S90 VanDerWaalsContact CB-OG 3.3Å; A83-S90 WeakPolarHBondContact CB-OG 3.34Å; A83-E91 HydrophobicContact CB-CB 3.81Å; A83-Y96 HydrophobicContact CB-CD1 4.26Å; A83-Y96 HydrophobicContact CB-CE1 3.63Å |
| 84 | T | 94.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -24 | 172.9 | 63.5 | 0 | 0 | 0 | 0 | 113 | Y26 N32 P81 Y82 H87 Y108 | Y26-T84 HydrophobicContact CE1-CG2 4.16Å; Y26-T84 WeakPolarHBondContact O-CG2 3.33Å; N32-T84 PolarHBondContact ND2-O 3.16Å; P81-T84 WeakPolarHBondContact O-CB 3.24Å; P81-T84 VanDerWaalsContact O-CG2 3.25Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å; P81-T84 PolarHBondContact O-N 3.02Å; P81-T84 VanDerWaalsContact O-N 3.08Å; P81-T84 PolarHBondContact O-OG1 3.41Å; Y82-T84 PolarHBondContact O-N 3.08Å; T84-H87 PolarHBondContact O-CE1 2.92Å; T84-H87 PolarHBondContact O-ND1 2.9Å; T84-H87 PolarHBondContact O-NE2 3.43Å; T84-Y108 WeakPolarHBondContact OG1-CE2 3.38Å; T84-Y108 PolarHBondContact OG1-OH 2.9Å |
| 85 | V | 96.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 15% | 0.145 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.8 | -37.9 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | A29 N32 Y82 A83 Y108 | A29-V85 HydrophobicContact CB-CG2 4.01Å; N32-V85 VanDerWaalsContact ND2-CA 3.29Å; N32-V85 WeakPolarHBondContact ND2-CA 3.36Å; N32-V85 PolarHBondContact ND2-O 2.74Å; Y82-V85 HydrophobicContact CD2-CG2 4Å; Y82-V85 HydrophobicContact CE1-CB 4.42Å; Y82-V85 HydrophobicContact CE2-CB 4.24Å; Y82-V85 HydrophobicContact CE2-CG1 4.46Å; Y82-V85 HydrophobicContact CE2-CG2 3.94Å; Y82-V85 WeakPolarHBondContact O-CA 3.47Å; Y82-V85 VanDerWaalsContact O-CB 3.22Å; Y82-V85 WeakPolarHBondContact O-CB 3.43Å; Y82-V85 WeakPolarHBondContact O-CG2 3.48Å; Y82-V85 PolarHBondContact O-N 2.83Å; A83-V85 PolarHBondContact O-N 3.16Å; V85-Y108 HydrophobicContact CG2-CD2 3.4Å; V85-Y108 VanDerWaalsContact CG2-CD2 3.4Å; V85-Y108 HydrophobicContact CG2-CE2 3.82Å; V85-Y108 HydrophobicContact CG2-CG 4.13Å |
| 86 | L | 95.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.335 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -78.8 | -31.5 | -173.9 | -57.1 | 179.6 | 0 | 0 | 0 | 112.8 | Y82 A83 D88 Y96 | Y82-L86 HydrophobicContact CD1-CD1 4.44Å; Y82-L86 HydrophobicContact CD1-CG 4.38Å; Y82-L86 HydrophobicContact CE1-CD1 4.4Å; Y82-L86 HydrophobicContact CE1-CD2 4.01Å; Y82-L86 HydrophobicContact CE1-CG 4.12Å; A83-L86 WeakPolarHBondContact O-CB 3.33Å; A83-L86 PolarHBondContact O-N 2.76Å; L86-D88 WeakPolarHBondContact CB-OD1 3.42Å; L86-D88 PolarHBondContact O-N 3.38Å; L86-Y96 VanDerWaalsContact CD1-CB 3.44Å; L86-Y96 HydrophobicContact CD1-CD1 4.12Å; L86-Y96 HydrophobicContact CD1-CD2 4.43Å; L86-Y96 HydrophobicContact CD1-CG 3.75Å |
| 87 | H | 87.9 | Confident | 94.4 | Very high | 98 Ų | 98 | 30.9 Ų | 30.9 | 45% | 0.454 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.4 | -178.9 | -66.9 | -64.8 | 0 | 0 | 0 | 114 | N32 A83 T84 | N32-H87 PolarHBondContact ND2-CD2 3.47Å; N32-H87 PolarHBondContact ND2-NE2 2.9Å; A83-H87 PolarHBondContact O-N 3.49Å; T84-H87 PolarHBondContact O-CE1 2.92Å; T84-H87 PolarHBondContact O-ND1 2.9Å; T84-H87 PolarHBondContact O-NE2 3.43Å |
| 88 | D | 92 | Very high | 94.3 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 53% | 0.529 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -116.4 | 7.2 | -175.5 | 64.6 | -5.8 | 0 | 0 | 0 | 113.6 | L86 S90 | L86-D88 WeakPolarHBondContact CB-OD1 3.42Å; L86-D88 PolarHBondContact O-N 3.38Å; D88-S90 PolarHBondContact O-N 3.02Å; D88-S90 WeakPolarHBondContact OD1-CB 3.21Å; D88-S90 PolarHBondContact OD1-N 3.09Å; D88-S90 PolarHBondContact OD1-OG 3.25Å |
| 89 | G | 89.9 | Confident | 94.1 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 76.8 | 8.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E91 Y92 | G89-E91 WeakPolarHBondContact CA-OE2 3.32Å; G89-E91 PolarHBondContact O-N 3.45Å; G89-E91 VanDerWaalsContact O-N 3.11Å; G89-Y92 WeakPolarHBondContact O-CD2 3.1Å; G89-Y92 PolarHBondContact O-N 3.43Å |
| 90 | S | 92.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -68 | -5.4 | -178.2 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | A83 D88 Y92 N93 G94 Y96 | A83-S90 VanDerWaalsContact CB-OG 3.3Å; A83-S90 WeakPolarHBondContact CB-OG 3.34Å; D88-S90 PolarHBondContact O-N 3.02Å; D88-S90 WeakPolarHBondContact OD1-CB 3.21Å; D88-S90 PolarHBondContact OD1-N 3.09Å; D88-S90 PolarHBondContact OD1-OG 3.25Å; S90-Y92 PolarHBondContact O-N 2.98Å; S90-N93 WeakPolarHBondContact CA-OD1 3.44Å; S90-N93 WeakPolarHBondContact CB-OD1 3.26Å; S90-N93 PolarHBondContact O-N 3.34Å; S90-N93 PolarHBondContact O-OD1 3.37Å; S90-G94 WeakPolarHBondContact O-CA 3.44Å; S90-G94 PolarHBondContact O-N 3.28Å; S90-Y96 WeakPolarHBondContact OG-CD1 3.43Å |
| 91 | E | 86.5 | Confident | 94 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -60.4 | -20.3 | 164.9 | 65 | -92.7 | -141 | 0 | 0 | 112.6 | P81 A83 G89 T128 S155 | P81-E91 HydrophobicContact CG-CB 3.58Å; A83-E91 HydrophobicContact CB-CB 3.81Å; G89-E91 WeakPolarHBondContact CA-OE2 3.32Å; G89-E91 PolarHBondContact O-N 3.45Å; G89-E91 VanDerWaalsContact O-N 3.11Å; E91-T128 HydrophobicContact CB-CG2 4.39Å; E91-T128 HydrophobicContact CG-CG2 4.45Å; E91-S155 PolarHBondContact O-OG 3.37Å |
| 92 | Y | 88.8 | Confident | 94 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -104.5 | 5.4 | -179.7 | -51 | -65.8 | 0 | 0 | 0 | 114.2 | G89 S90 T128 N163 C188 | G89-Y92 WeakPolarHBondContact O-CD2 3.1Å; G89-Y92 PolarHBondContact O-N 3.43Å; S90-Y92 PolarHBondContact O-N 2.98Å; Y92-T128 HydrophobicContact CE1-CG2 4.12Å; Y92-N163 WeakPolarHBondContact O-CB 3.48Å; Y92-N163 VanDerWaalsContact O-CG 3.3Å; Y92-C188 HydrophobicContact CE1-CB 4.46Å |
| 93 | N | 92.1 | Very high | 94 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -20 | 174.7 | 63.5 | 40.8 | 0 | 0 | 0 | 114.2 | S90 L95 Y164 | S90-N93 WeakPolarHBondContact CA-OD1 3.44Å; S90-N93 WeakPolarHBondContact CB-OD1 3.26Å; S90-N93 PolarHBondContact O-N 3.34Å; S90-N93 PolarHBondContact O-OD1 3.37Å; N93-L95 HydrophobicContact CB-CD1 4.39Å; N93-L95 HydrophobicContact CB-CG 4.09Å; N93-L95 PolarHBondContact O-N 3.01Å; N93-L95 WeakPolarHBondContact OD1-CB 3.43Å; N93-L95 VanDerWaalsContact OD1-CG 3.29Å; N93-L95 WeakPolarHBondContact OD1-CG 3.46Å; N93-L95 PolarHBondContact OD1-N 2.89Å; N93-Y164 WeakPolarHBondContact O-CA 3.44Å |
| 94 | G | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | 66 | 14.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S90 Y96 I97 Y164 | S90-G94 WeakPolarHBondContact O-CA 3.44Å; S90-G94 PolarHBondContact O-N 3.28Å; G94-Y96 PolarHBondContact O-N 3.42Å; G94-I97 VanDerWaalsContact O-CB 3.24Å; G94-I97 WeakPolarHBondContact O-CB 3.27Å; G94-I97 WeakPolarHBondContact O-CG1 3.4Å; G94-I97 PolarHBondContact O-N 3.36Å; G94-Y164 WeakPolarHBondContact O-CD2 3.43Å | ||
| 95 | L | 93.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 64% | 0.644 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -60.6 | -22.8 | -173 | -68.8 | 173.5 | 0 | 0 | 0 | 113.9 | N93 I97 | N93-L95 HydrophobicContact CB-CD1 4.39Å; N93-L95 HydrophobicContact CB-CG 4.09Å; N93-L95 PolarHBondContact O-N 3.01Å; N93-L95 WeakPolarHBondContact OD1-CB 3.43Å; N93-L95 VanDerWaalsContact OD1-CG 3.29Å; N93-L95 WeakPolarHBondContact OD1-CG 3.46Å; N93-L95 PolarHBondContact OD1-N 2.89Å; L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 PolarHBondContact O-N 3.47Å |
| 96 | Y | 96.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -74 | -15.8 | 177.7 | 69.9 | -86 | 0 | 0 | 0 | 113.7 | P81 Y82 A83 L86 S90 G94 D98 T99 V100 I105 P130 E134 | P81-Y96 WeakPolarHBondContact CB-OH 3.35Å; Y82-Y96 AromaticContact CD1-CD2 3.82Å; Y82-Y96 HydrophobicContact CD1-CD2 3.82Å; Y82-Y96 AromaticContact CD1-CE2 3.93Å; Y82-Y96 HydrophobicContact CD1-CE2 3.93Å; Y82-Y96 HydrophobicContact CG-CE2 4.31Å; A83-Y96 HydrophobicContact CB-CD1 4.26Å; A83-Y96 HydrophobicContact CB-CE1 3.63Å; L86-Y96 VanDerWaalsContact CD1-CB 3.44Å; L86-Y96 HydrophobicContact CD1-CD1 4.12Å; L86-Y96 HydrophobicContact CD1-CD2 4.43Å; L86-Y96 HydrophobicContact CD1-CG 3.75Å; S90-Y96 WeakPolarHBondContact OG-CD1 3.43Å; G94-Y96 PolarHBondContact O-N 3.42Å; Y96-D98 PolarHBondContact O-N 3.27Å; Y96-T99 PolarHBondContact O-N 3.14Å; Y96-T99 VanDerWaalsContact O-N 3.1Å; Y96-T99 PolarHBondContact O-OG1 2.91Å; Y96-V100 HydrophobicContact CD2-CB 4.46Å; Y96-V100 HydrophobicContact CD2-CG2 4.17Å; Y96-V100 WeakPolarHBondContact O-CB 3.45Å; Y96-V100 WeakPolarHBondContact O-CG2 3.48Å; Y96-V100 PolarHBondContact O-N 2.98Å; Y96-I105 HydrophobicContact CE2-CD1 4.5Å; Y96-P130 HydrophobicContact CE1-CG 4.06Å; Y96-E134 PolarHBondContact OH-OE1 2.95Å; Y96-E134 VanDerWaalsContact OH-OE1 3.04Å; Y96-E134 PolarHBondContact OH-OE2 3.36Å |
| 97 | I | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60.5 | -30.8 | -175.6 | -65.1 | -62.4 | 0 | 0 | 0 | 112.1 | G94 L95 S131 R133 E134 Y164 | G94-I97 VanDerWaalsContact O-CB 3.24Å; G94-I97 WeakPolarHBondContact O-CB 3.27Å; G94-I97 WeakPolarHBondContact O-CG1 3.4Å; G94-I97 PolarHBondContact O-N 3.36Å; L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 PolarHBondContact O-N 3.47Å; I97-S131 WeakPolarHBondContact CD1-OG 3.49Å; I97-S131 WeakPolarHBondContact CG1-OG 3.17Å; I97-R133 HydrophobicContact CG2-CB 4.09Å; I97-R133 HydrophobicContact CG2-CG 4.3Å; I97-R133 PolarHBondContact O-NH1 3.31Å; I97-E134 HydrophobicContact CD1-CB 3.74Å; I97-E134 HydrophobicContact CD1-CG 4.5Å; I97-Y164 HydrophobicContact CB-CD2 3.96Å; I97-Y164 HydrophobicContact CB-CE2 3.71Å; I97-Y164 HydrophobicContact CG1-CD2 4.12Å; I97-Y164 HydrophobicContact CG1-CE2 4.39Å; I97-Y164 HydrophobicContact CG1-CG 4.47Å; I97-Y164 HydrophobicContact CG2-CD2 4.4Å; I97-Y164 HydrophobicContact CG2-CE1 4.11Å; I97-Y164 HydrophobicContact CG2-CE2 3.98Å |
| 98 | D | 95.2 | Very high | 95 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -88.2 | -17.2 | 179.2 | -68.3 | -45.6 | 0 | 0 | 0 | 114.5 | Y96 R133 Y164 | Y96-D98 PolarHBondContact O-N 3.27Å; D98-R133 IonicContact OD1-NH1 3.53Å; D98-Y164 PolarHBondContact OD1-OH 3.35Å; D98-Y164 WeakPolarHBondContact OD2-CE2 3.46Å; D98-Y164 PolarHBondContact OD2-OH 2.85Å |
| 99 | T | 95.9 | Very high | 95.3 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 64% | 0.638 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -30.6 | -170.9 | 55 | 0 | 0 | 0 | 0 | 113 | Y96 | Y96-T99 PolarHBondContact O-N 3.14Å; Y96-T99 VanDerWaalsContact O-N 3.1Å; Y96-T99 PolarHBondContact O-OG1 2.91Å |
| 100 | V | 96.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -83.6 | 133.2 | 179.8 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | Y82 Y96 L104 I105 | Y82-V100 HydrophobicContact CD1-CG1 4.1Å; Y82-V100 HydrophobicContact CD1-CG2 4.31Å; Y82-V100 HydrophobicContact CE1-CB 4.29Å; Y82-V100 HydrophobicContact CE1-CG1 3.6Å; Y82-V100 HydrophobicContact CE1-CG2 3.8Å; Y82-V100 HydrophobicContact CE2-CG1 4.49Å; Y96-V100 HydrophobicContact CD2-CB 4.46Å; Y96-V100 HydrophobicContact CD2-CG2 4.17Å; Y96-V100 WeakPolarHBondContact O-CB 3.45Å; Y96-V100 WeakPolarHBondContact O-CG2 3.48Å; Y96-V100 PolarHBondContact O-N 2.98Å; V100-L104 HydrophobicContact CG1-CB 4.03Å; V100-L104 HydrophobicContact CG1-CD1 4.28Å; V100-I105 HydrophobicContact CB-CD1 4.38Å; V100-I105 HydrophobicContact CB-CG1 4.48Å; V100-I105 HydrophobicContact CG1-CD1 4.15Å; V100-I105 HydrophobicContact CG1-CG1 3.73Å |
| 101 | Q | 97.8 | Very high | 96 | Very high | 119 Ų | 119 | 51.6 Ų | 51.6 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | trans | -65.4 | 135.9 | 176.9 | -62.4 | -57.2 | -62.3 | 0 | 0 | 110.8 | E103 L104 I105 | Q101-E103 PolarHBondContact O-N 3.5Å; Q101-E103 VanDerWaalsContact O-N 3.1Å; Q101-L104 HydrophobicContact CB-CD1 4.38Å; Q101-L104 HydrophobicContact CB-CG 4.4Å; Q101-L104 PolarHBondContact O-N 3.3Å; Q101-I105 PolarHBondContact O-N 2.98Å | ||
| 102 | P | 98 | Very high | 96.6 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.4 | -33.8 | 179.5 | -28.8 | 36.2 | 0 | 0 | 0 | 114.3 | L104 I105 K106 L137 | P102-L104 PolarHBondContact O-N 3.09Å; P102-I105 PolarHBondContact O-N 3.48Å; P102-K106 WeakPolarHBondContact O-CG 3.35Å; P102-K106 PolarHBondContact O-N 3.31Å; P102-L137 HydrophobicContact CB-CD1 4.01Å; P102-L137 HydrophobicContact CB-CD2 4.09Å |
| 103 | E | 98.2 | Very high | 97 | Very high | 110 Ų | 110 | 46.7 Ų | 46.7 | 51% | 0.514 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 179.8 | -67.7 | 64.4 | -140.6 | 0 | 0 | 111.5 | Q101 I105 K106 D107 | Q101-E103 PolarHBondContact O-N 3.5Å; Q101-E103 VanDerWaalsContact O-N 3.1Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.14Å; E103-K106 PolarHBondContact O-N 3.15Å; E103-D107 WeakPolarHBondContact O-CB 3.36Å; E103-D107 VanDerWaalsContact O-CG 3.27Å; E103-D107 PolarHBondContact O-N 3.1Å |
| 104 | L | 98 | Very high | 97.3 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.7 | -65.3 | 175.2 | 0 | 0 | 0 | 111.7 | Y82 V100 Q101 P102 Y108 | Y82-L104 HydrophobicContact CE2-CB 4.34Å; V100-L104 HydrophobicContact CG1-CB 4.03Å; V100-L104 HydrophobicContact CG1-CD1 4.28Å; Q101-L104 HydrophobicContact CB-CD1 4.38Å; Q101-L104 HydrophobicContact CB-CG 4.4Å; Q101-L104 PolarHBondContact O-N 3.3Å; P102-L104 PolarHBondContact O-N 3.09Å; L104-Y108 WeakPolarHBondContact O-CB 3.47Å; L104-Y108 PolarHBondContact O-N 3.47Å |
| 105 | I | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 175.8 | -61.8 | 176.7 | 0 | 0 | 0 | 109.8 | Y82 Y96 V100 Q101 P102 E103 Y108 F109 E134 L137 | Y82-I105 HydrophobicContact CD1-CG1 4.39Å; Y82-I105 HydrophobicContact CD2-CB 4.49Å; Y82-I105 HydrophobicContact CD2-CG1 4.13Å; Y82-I105 HydrophobicContact CG-CG1 3.97Å; Y96-I105 HydrophobicContact CE2-CD1 4.5Å; V100-I105 HydrophobicContact CB-CD1 4.38Å; V100-I105 HydrophobicContact CB-CG1 4.48Å; V100-I105 HydrophobicContact CG1-CD1 4.15Å; V100-I105 HydrophobicContact CG1-CG1 3.73Å; Q101-I105 PolarHBondContact O-N 2.98Å; P102-I105 PolarHBondContact O-N 3.48Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.14Å; I105-Y108 WeakPolarHBondContact O-CB 3.21Å; I105-Y108 PolarHBondContact O-N 3.5Å; I105-F109 HydrophobicContact CG2-CD2 3.74Å; I105-F109 HydrophobicContact CG2-CE2 3.5Å; I105-F109 VanDerWaalsContact CG2-CE2 3.5Å; I105-F109 WeakPolarHBondContact O-CD2 3.37Å; I105-F109 PolarHBondContact O-N 3.11Å; I105-E134 HydrophobicContact CG2-CG 4.02Å; I105-L137 HydrophobicContact CB-CD1 3.98Å; I105-L137 HydrophobicContact CD1-CD1 4.08Å; I105-L137 HydrophobicContact CG2-CB 4.22Å; I105-L137 HydrophobicContact CG2-CD1 3.81Å |
| 106 | K | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 21% | 0.213 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.1 | -72.3 | -177.5 | -178.8 | -167.8 | 0 | 112.4 | P102 E103 Y108 F109 S110 L137 E140 V141 | P102-K106 WeakPolarHBondContact O-CG 3.35Å; P102-K106 PolarHBondContact O-N 3.31Å; E103-K106 PolarHBondContact O-N 3.15Å; K106-Y108 VanDerWaalsContact C-N 3.35Å; K106-F109 PolarHBondContact O-N 3.33Å; K106-S110 WeakPolarHBondContact O-CB 3.39Å; K106-S110 PolarHBondContact O-N 3.05Å; K106-S110 PolarHBondContact O-OG 3.2Å; K106-L137 HydrophobicContact CD-CD2 4.35Å; K106-L137 HydrophobicContact CG-CB 4.23Å; K106-L137 HydrophobicContact CG-CD2 4.15Å; K106-E140 WeakPolarHBondContact CE-OE2 3.41Å; K106-E140 IonicContact NZ-OE1 2.66Å; K106-E140 PolarHBondContact NZ-OE1 3.45Å; K106-E140 IonicContact NZ-OE2 3.77Å; K106-E140 PolarHBondContact NZ-OE2 2.89Å; K106-V141 HydrophobicContact CB-CG2 3.96Å; K106-V141 HydrophobicContact CG-CG2 4.07Å |
| 107 | D | 98.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.8 | -41.6 | 177.9 | -74.1 | -12.2 | 0 | 0 | 0 | 111.3 | E103 S110 G111 | E103-D107 WeakPolarHBondContact O-CB 3.36Å; E103-D107 VanDerWaalsContact O-CG 3.27Å; E103-D107 PolarHBondContact O-N 3.1Å; D107-S110 PolarHBondContact O-N 2.86Å; D107-G111 PolarHBondContact O-N 3.35Å |
| 108 | Y | 98.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -54.7 | 172.8 | 163 | -98.8 | 0 | 0 | 0 | 111.7 | A29 G80 P81 Y82 T84 V85 L104 I105 K106 S110 G111 Q112 | A29-Y108 HydrophobicContact CB-CE2 3.98Å; G80-Y108 VanDerWaalsContact O-CE1 3.29Å; G80-Y108 WeakPolarHBondContact O-CE1 3.12Å; G80-Y108 PolarHBondContact O-OH 3.47Å; P81-Y108 PolarHBondContact O-OH 2.68Å; Y82-Y108 HydrophobicContact CD2-CD1 4.17Å; Y82-Y108 AromaticContact CD2-CG 3.85Å; Y82-Y108 HydrophobicContact CD2-CG 3.85Å; T84-Y108 WeakPolarHBondContact OG1-CE2 3.38Å; T84-Y108 PolarHBondContact OG1-OH 2.9Å; V85-Y108 HydrophobicContact CG2-CD2 3.4Å; V85-Y108 VanDerWaalsContact CG2-CD2 3.4Å; V85-Y108 HydrophobicContact CG2-CE2 3.82Å; V85-Y108 HydrophobicContact CG2-CG 4.13Å; L104-Y108 WeakPolarHBondContact O-CB 3.47Å; L104-Y108 PolarHBondContact O-N 3.47Å; I105-Y108 WeakPolarHBondContact O-CB 3.21Å; I105-Y108 PolarHBondContact O-N 3.5Å; K106-Y108 VanDerWaalsContact C-N 3.35Å; Y108-S110 VanDerWaalsContact C-N 3.28Å; Y108-S110 PolarHBondContact O-N 2.8Å; Y108-G111 PolarHBondContact O-N 3.06Å; Y108-Q112 HydrophobicContact CD2-CG 4.06Å; Y108-Q112 HydrophobicContact CE1-CG 4.18Å; Y108-Q112 HydrophobicContact CE2-CG 3.57Å; Y108-Q112 WeakPolarHBondContact O-CG 3.42Å; Y108-Q112 PolarHBondContact O-N 2.95Å; Y108-Q112 VanDerWaalsContact O-N 3.12Å |
| 109 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 179.9 | -76.9 | -64.2 | 0 | 0 | 0 | 111.8 | V79 I105 K106 G111 Q112 V113 I126 L129 E134 A138 V141 | V79-F109 HydrophobicContact CG1-CD1 3.83Å; V79-F109 HydrophobicContact CG1-CE1 4Å; I105-F109 HydrophobicContact CG2-CD2 3.74Å; I105-F109 HydrophobicContact CG2-CE2 3.5Å; I105-F109 VanDerWaalsContact CG2-CE2 3.5Å; I105-F109 WeakPolarHBondContact O-CD2 3.37Å; I105-F109 PolarHBondContact O-N 3.11Å; K106-F109 PolarHBondContact O-N 3.33Å; F109-G111 PolarHBondContact O-N 3.03Å; F109-Q112 PolarHBondContact O-N 3.48Å; F109-V113 VanDerWaalsContact O-CB 3.26Å; F109-V113 WeakPolarHBondContact O-CB 3.15Å; F109-V113 WeakPolarHBondContact O-CG2 3.39Å; F109-V113 PolarHBondContact O-N 2.84Å; F109-I126 HydrophobicContact CE1-CG2 3.84Å; F109-I126 HydrophobicContact CZ-CG2 4.48Å; F109-L129 HydrophobicContact CZ-CD2 4.01Å; F109-E134 HydrophobicContact CE2-CG 3.7Å; F109-E134 HydrophobicContact CZ-CG 3.93Å; F109-A138 HydrophobicContact CD1-CB 3.94Å; F109-A138 HydrophobicContact CD2-CB 3.82Å; F109-A138 HydrophobicContact CE1-CB 3.8Å; F109-A138 HydrophobicContact CE2-CB 3.67Å; F109-A138 HydrophobicContact CG-CB 3.98Å; F109-A138 HydrophobicContact CZ-CB 3.67Å; F109-V141 HydrophobicContact CB-CB 4.21Å; F109-V141 HydrophobicContact CB-CG1 4.01Å; F109-V141 HydrophobicContact CB-CG2 4.38Å |
| 110 | S | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 26% | 0.259 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.4 | -48 | -178.6 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | K106 D107 Y108 E114 V141 | K106-S110 WeakPolarHBondContact O-CB 3.39Å; K106-S110 PolarHBondContact O-N 3.05Å; K106-S110 PolarHBondContact O-OG 3.2Å; D107-S110 PolarHBondContact O-N 2.86Å; Y108-S110 VanDerWaalsContact C-N 3.28Å; Y108-S110 PolarHBondContact O-N 2.8Å; S110-E114 VanDerWaalsContact O-CB 3.24Å; S110-E114 WeakPolarHBondContact O-CB 3.43Å; S110-E114 PolarHBondContact O-N 3.25Å; S110-V141 WeakPolarHBondContact OG-CG1 3.32Å |
| 111 | G | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L30 Y41 D107 Y108 F109 A115 | L30-G111 VanDerWaalsContact CD1-C 3.47Å; L30-G111 WeakPolarHBondContact CD1-O 3.28Å; Y41-G111 WeakPolarHBondContact OH-CA 2.91Å; D107-G111 PolarHBondContact O-N 3.35Å; Y108-G111 PolarHBondContact O-N 3.06Å; F109-G111 PolarHBondContact O-N 3.03Å; G111-A115 WeakPolarHBondContact O-CB 3.23Å; G111-A115 PolarHBondContact O-N 3.15Å; G111-A115 VanDerWaalsContact O-N 3.1Å |
| 112 | Q | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -50 | -179.2 | -57.8 | -30.6 | -43.6 | 0 | 0 | 111.7 | C28 L30 V79 Y108 F109 E114 A115 V116 | C28-Q112 PolarHBondContact O-OE1 3.44Å; L30-Q112 VanDerWaalsContact N-NE2 3.2Å; V79-Q112 HydrophobicContact CG1-CB 3.72Å; V79-Q112 HydrophobicContact CG1-CG 4.16Å; V79-Q112 HydrophobicContact CG2-CB 4.09Å; Y108-Q112 HydrophobicContact CD2-CG 4.06Å; Y108-Q112 HydrophobicContact CE1-CG 4.18Å; Y108-Q112 HydrophobicContact CE2-CG 3.57Å; Y108-Q112 WeakPolarHBondContact O-CG 3.42Å; Y108-Q112 PolarHBondContact O-N 2.95Å; Y108-Q112 VanDerWaalsContact O-N 3.12Å; F109-Q112 PolarHBondContact O-N 3.48Å; Q112-E114 PolarHBondContact O-N 2.99Å; Q112-A115 PolarHBondContact O-N 3.41Å; Q112-V116 WeakPolarHBondContact O-CG2 3.26Å; Q112-V116 PolarHBondContact O-N 3.03Å |
| 113 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | -176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F109 A115 V116 C117 L124 A142 L145 C146 | F109-V113 VanDerWaalsContact O-CB 3.26Å; F109-V113 WeakPolarHBondContact O-CB 3.15Å; F109-V113 WeakPolarHBondContact O-CG2 3.39Å; F109-V113 PolarHBondContact O-N 2.84Å; V113-A115 PolarHBondContact O-N 3.35Å; V113-V116 PolarHBondContact O-N 3.09Å; V113-C117 WeakPolarHBondContact O-CB 3.43Å; V113-C117 PolarHBondContact O-N 2.74Å; V113-C117 PolarHBondContact O-SG 3.47Å; V113-C117 VanDerWaalsContact O-SG 3.39Å; V113-L124 HydrophobicContact CG1-CD2 4.06Å; V113-L124 HydrophobicContact CG2-CD2 4.08Å; V113-A142 HydrophobicContact CG1-CB 4.5Å; V113-A142 HydrophobicContact CG2-CB 4.48Å; V113-L145 HydrophobicContact CG1-CB 4.05Å; V113-C146 HydrophobicContact CG1-CB 3.78Å |
| 114 | E | 97.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 30.7 Ų | 30.7 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61 | -45.6 | 177.1 | -174.3 | -178.6 | -164.1 | 0 | 0 | 111.6 | S110 Q112 S118 | S110-E114 VanDerWaalsContact O-CB 3.24Å; S110-E114 WeakPolarHBondContact O-CB 3.43Å; S110-E114 PolarHBondContact O-N 3.25Å; Q112-E114 PolarHBondContact O-N 2.99Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 2.93Å; E114-S118 PolarHBondContact O-OG 2.98Å |
| 115 | A | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q45 L48 R49 G111 Q112 V113 S118 | Q45-A115 HydrophobicContact CB-CB 4.05Å; Q45-A115 HydrophobicContact CG-CB 4.1Å; L48-A115 HydrophobicContact CB-CB 4.02Å; L48-A115 HydrophobicContact CD2-CB 3.88Å; R49-A115 WeakPolarHBondContact CG-O 3.24Å; G111-A115 WeakPolarHBondContact O-CB 3.23Å; G111-A115 PolarHBondContact O-N 3.15Å; G111-A115 VanDerWaalsContact O-N 3.1Å; Q112-A115 PolarHBondContact O-N 3.41Å; V113-A115 PolarHBondContact O-N 3.35Å; A115-S118 PolarHBondContact O-OG 2.67Å |
| 116 | V | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74 | -48.7 | -178.7 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | L48 V52 V79 Q112 V113 S118 A119 V121 L124 | L48-V116 HydrophobicContact CB-CG2 4.31Å; L48-V116 HydrophobicContact CD2-CG2 3.98Å; L48-V116 HydrophobicContact CG-CG2 4.47Å; V52-V116 HydrophobicContact CG2-CG1 4.21Å; V79-V116 HydrophobicContact CG2-CG2 4.3Å; Q112-V116 WeakPolarHBondContact O-CG2 3.26Å; Q112-V116 PolarHBondContact O-N 3.03Å; V113-V116 PolarHBondContact O-N 3.09Å; V116-S118 PolarHBondContact O-N 3.29Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 2.85Å; V116-V121 HydrophobicContact CG1-CG1 3.76Å; V116-V121 HydrophobicContact CG1-CG2 4.36Å; V116-L124 HydrophobicContact CG1-CD1 4.36Å |
| 117 | C | 97.7 | Very high | 98.1 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | -178 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | V113 A119 G120 C146 | V113-C117 WeakPolarHBondContact O-CB 3.43Å; V113-C117 PolarHBondContact O-N 2.74Å; V113-C117 PolarHBondContact O-SG 3.47Å; V113-C117 VanDerWaalsContact O-SG 3.39Å; C117-A119 PolarHBondContact O-N 2.99Å; C117-A119 VanDerWaalsContact O-N 3.13Å; C117-G120 PolarHBondContact O-N 2.93Å; C117-G120 VanDerWaalsContact O-N 3.15Å; C117-C146 HydrophobicContact CB-CB 4.03Å; C117-C146 WeakPolarHBondContact CB-SG 3.47Å; C117-C146 WeakPolarHBondContact SG-CB 3.41Å; C117-C146 CovalentContact SG-SG 2.06Å; C117-C146 PolarHBondContact SG-SG 3.47Å |
| 118 | S | 97.3 | Very high | 98.1 | Very high | 71 Ų | 71 | 19.3 Ų | 19.3 | 50% | 0.497 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.1 | 176.2 | 64 | 0 | 0 | 0 | 0 | 114.3 | R49 E114 A115 V116 | R49-S118 PolarHBondContact NE-OG 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 2.93Å; E114-S118 PolarHBondContact O-OG 2.98Å; A115-S118 PolarHBondContact O-OG 2.67Å; V116-S118 PolarHBondContact O-N 3.29Å |
| 119 | A | 97.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 18.7 Ų | 18.7 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | R49 V52 V116 C117 | R49-A119 HydrophobicContact CB-CB 4.05Å; R49-A119 HydrophobicContact CG-CB 4.03Å; V52-A119 HydrophobicContact CB-CB 3.62Å; V52-A119 HydrophobicContact CG1-CB 3.72Å; V52-A119 HydrophobicContact CG2-CB 3.75Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 2.85Å; C117-A119 PolarHBondContact O-N 2.99Å; C117-A119 VanDerWaalsContact O-N 3.13Å |
| 120 | G | 96.3 | Very high | 98.1 | Very high | 41 Ų | 41 | 18.7 Ų | 18.7 | 42% | 0.423 | 12% | 0.122 | S | C | . | . | trans | 83.3 | 46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R56 C117 | R56-G120 PolarHBondContact NH2-O 3.37Å; C117-G120 PolarHBondContact O-N 2.93Å; C117-G120 VanDerWaalsContact O-N 3.15Å | ||
| 121 | V | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | trans | -67.8 | 155.4 | 167 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | V52 V75 V116 C123 V148 | V52-V121 HydrophobicContact CB-CG1 4.28Å; V52-V121 HydrophobicContact CG1-CG1 3.64Å; V52-V121 HydrophobicContact CG2-CG1 3.62Å; V75-V121 HydrophobicContact CG1-CG1 4.26Å; V116-V121 HydrophobicContact CG1-CG1 3.76Å; V116-V121 HydrophobicContact CG1-CG2 4.36Å; V121-C123 WeakPolarHBondContact CG2-O 3.41Å; V121-V148 HydrophobicContact CG2-CG2 4.18Å | ||
| 122 | D | 98 | Very high | 98.1 | Very high | 52 Ų | 52 | 18.1 Ų | 18.1 | 28% | 0.278 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -83.8 | -26.7 | 176.2 | -59 | -52.9 | 0 | 0 | 0 | 112.7 | R56 F74 V75 V148 | R56-D122 IonicContact CZ-OD1 2.56Å; R56-D122 IonicContact CZ-OD2 2.74Å; R56-D122 IonicContact NH1-OD1 3.26Å; R56-D122 PolarHBondContact NH1-OD1 2.9Å; R56-D122 IonicContact NH1-OD2 3.28Å; R56-D122 PolarHBondContact NH1-OD2 3.09Å; R56-D122 IonicContact NH2-OD1 3.6Å; R56-D122 PolarHBondContact NH2-OD1 3.03Å; R56-D122 IonicContact NH2-OD2 3.44Å; R56-D122 PolarHBondContact NH2-OD2 3.07Å; F74-D122 WeakPolarHBondContact CA-OD2 3.33Å; F74-D122 HydrophobicContact CB-CB 4.21Å; F74-D122 HydrophobicContact CD1-CB 3.87Å; V75-D122 PolarHBondContact N-OD2 3.13Å; V75-D122 PolarHBondContact O-N 2.87Å; D122-V148 WeakPolarHBondContact O-CB 3.33Å |
| 123 | C | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 22.8 Ų | 22.8 | 10% | 0.095 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 163.9 | 178.1 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | V75 A76 G77 V121 P149 W151 | V75-C123 PolarHBondContact O-N 2.9Å; A76-C123 CarbonylContact C-O 3.3Å; A76-C123 WeakPolarHBondContact CA-O 3.27Å; A76-C123 VanDerWaalsContact CB-SG 3.55Å; G77-C123 PolarHBondContact N-O 3.24Å; V121-C123 WeakPolarHBondContact CG2-O 3.41Å; C123-P149 CarbonylContact C-O 3.55Å; C123-P149 WeakPolarHBondContact CA-O 3.34Å; C123-P149 HydrophobicContact CB-CB 4.49Å; C123-P149 WeakPolarHBondContact CB-O 3.31Å; C123-W151 HydrophobicContact CB-CZ3 4.39Å |
| 124 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.7 | 177.4 | -177.5 | 72.7 | 0 | 0 | 0 | 109.7 | G77 V79 V113 V116 I126 A142 C146 V148 P149 T150 W151 | G77-L124 WeakPolarHBondContact O-CD1 3.49Å; V79-L124 HydrophobicContact CG2-CD1 3.82Å; V113-L124 HydrophobicContact CG1-CD2 4.06Å; V113-L124 HydrophobicContact CG2-CD2 4.08Å; V116-L124 HydrophobicContact CG1-CD1 4.36Å; L124-I126 HydrophobicContact CD2-CD1 3.94Å; L124-I126 HydrophobicContact CD2-CG1 3.91Å; L124-I126 HydrophobicContact CG-CG1 4.03Å; L124-A142 HydrophobicContact CD2-CB 4.03Å; L124-C146 HydrophobicContact CD2-CB 4.36Å; L124-V148 HydrophobicContact CB-CG2 4.32Å; L124-P149 PolarHBondContact N-O 3.29Å; L124-T150 HydrophobicContact CB-CG2 4.14Å; L124-T150 HydrophobicContact CD2-CG2 3.94Å; L124-T150 HydrophobicContact CG-CG2 4.23Å; L124-T150 CarbonylContact O-C 3.51Å; L124-T150 VanDerWaalsContact O-CA 3.32Å; L124-T150 WeakPolarHBondContact O-CA 3.42Å; L124-W151 PolarHBondContact O-N 2.64Å |
| 125 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 98 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E22 A76 G77 V79 W151 | E22-A125 HydrophobicContact CG-CB 4.48Å; A76-A125 HydrophobicContact CB-CB 4.31Å; G77-A125 PolarHBondContact O-N 2.9Å; V79-A125 PolarHBondContact N-O 3.01Å; A125-W151 HydrophobicContact CB-CD2 4.03Å; A125-W151 HydrophobicContact CB-CH2 3.98Å; A125-W151 HydrophobicContact CB-CZ2 3.21Å |
| 126 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 110.5 | 170.3 | -51.3 | -177.9 | 0 | 0 | 0 | 107.2 | V79 F109 L124 L129 A138 A142 T150 W151 I152 S153 | V79-I126 WeakPolarHBondContact O-CA 3.44Å; F109-I126 HydrophobicContact CE1-CG2 3.84Å; F109-I126 HydrophobicContact CZ-CG2 4.48Å; L124-I126 HydrophobicContact CD2-CD1 3.94Å; L124-I126 HydrophobicContact CD2-CG1 3.91Å; L124-I126 HydrophobicContact CG-CG1 4.03Å; I126-L129 HydrophobicContact CG2-CD1 3.95Å; I126-L129 HydrophobicContact CG2-CD2 4.02Å; I126-L129 HydrophobicContact CG2-CG 4.19Å; I126-A138 HydrophobicContact CD1-CB 4.08Å; I126-A138 HydrophobicContact CG2-CB 3.97Å; I126-A142 HydrophobicContact CD1-CB 3.83Å; I126-T150 HydrophobicContact CD1-CG2 4.11Å; I126-T150 HydrophobicContact CG1-CG2 4.18Å; I126-W151 PolarHBondContact N-O 3.48Å; I126-I152 HydrophobicContact CB-CD1 3.82Å; I126-I152 HydrophobicContact CD1-CD1 3.95Å; I126-I152 HydrophobicContact CG1-CD1 4.22Å; I126-I152 HydrophobicContact CG2-CD1 4.44Å; I126-I152 WeakPolarHBondContact O-CA 3.47Å; I126-S153 PolarHBondContact O-N 3.25Å |
| 127 | E | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 163.7 | -157.7 | 67.2 | -175.7 | 169.2 | 0 | 0 | 114.4 | Y26 S78 V79 P81 L129 S153 Y210 | Y26-E127 HydrophobicContact CD2-CG 3.81Å; Y26-E127 WeakPolarHBondContact CD2-OE1 3.35Å; Y26-E127 HydrophobicContact CE2-CG 3.87Å; S78-E127 WeakPolarHBondContact CB-OE1 3.45Å; S78-E127 PolarHBondContact OG-OE1 2.88Å; V79-E127 PolarHBondContact O-N 2.81Å; P81-E127 WeakPolarHBondContact CD-O 3.45Å; E127-L129 PolarHBondContact O-N 3.41Å; E127-S153 CarbonylContact C-O 3.55Å; E127-Y210 WeakPolarHBondContact CB-OH 3.12Å; E127-Y210 VanDerWaalsContact OE2-CE2 3.22Å; E127-Y210 WeakPolarHBondContact OE2-CE2 3.4Å; E127-Y210 PolarHBondContact OE2-OH 3.04Å |
| 128 | T | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.6 | 27.5 | -179.2 | -37.9 | 0 | 0 | 0 | 0 | 112.5 | Y26 E91 Y92 P130 S153 S155 N187 C188 | Y26-T128 WeakPolarHBondContact CE2-OG1 3.37Å; Y26-T128 VanDerWaalsContact OH-CB 3.24Å; Y26-T128 WeakPolarHBondContact OH-CB 3.48Å; Y26-T128 WeakPolarHBondContact OH-CG2 3.38Å; Y26-T128 PolarHBondContact OH-OG1 3.33Å; E91-T128 HydrophobicContact CB-CG2 4.39Å; E91-T128 HydrophobicContact CG-CG2 4.45Å; Y92-T128 HydrophobicContact CE1-CG2 4.12Å; T128-P130 WeakPolarHBondContact O-CD 3.42Å; T128-S153 PolarHBondContact N-O 3.49Å; T128-S155 PolarHBondContact O-OG 3.37Å; T128-N187 WeakPolarHBondContact CA-OD1 3.3Å; T128-N187 PolarHBondContact N-OD1 3.09Å; T128-N187 PolarHBondContact OG1-ND2 3.48Å; T128-C188 HydrophobicContact CG2-CB 4.1Å |
| 129 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.9 | 179.4 | -61.7 | -172.3 | 0 | 0 | 0 | 109.7 | P81 F109 I126 E127 E134 A135 I152 S153 F154 S155 | P81-L129 HydrophobicContact CB-CD2 3.92Å; F109-L129 HydrophobicContact CZ-CD2 4.01Å; I126-L129 HydrophobicContact CG2-CD1 3.95Å; I126-L129 HydrophobicContact CG2-CD2 4.02Å; I126-L129 HydrophobicContact CG2-CG 4.19Å; E127-L129 PolarHBondContact O-N 3.41Å; L129-E134 HydrophobicContact CD2-CG 4.24Å; L129-A135 VanDerWaalsContact CD1-CA 3.47Å; L129-A135 HydrophobicContact CD1-CB 3.62Å; L129-I152 HydrophobicContact CD1-CG2 3.77Å; L129-S153 PolarHBondContact N-O 3.46Å; L129-F154 HydrophobicContact CB-CD1 4.12Å; L129-F154 HydrophobicContact CB-CE1 4.22Å; L129-F154 VanDerWaalsContact O-CA 3.28Å; L129-F154 WeakPolarHBondContact O-CA 3.11Å; L129-F154 VanDerWaalsContact O-CD1 3.27Å; L129-F154 WeakPolarHBondContact O-CD1 3.47Å; L129-S155 PolarHBondContact O-N 3.5Å; L129-S155 VanDerWaalsContact O-N 3.1Å |
| 130 | P | 98 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -79.4 | -16 | 178.9 | 30.6 | -36.2 | 0 | 0 | 0 | 113.3 | Y96 T128 E134 T162 N163 Y164 | Y96-P130 HydrophobicContact CE1-CG 4.06Å; T128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-E134 VanDerWaalsContact CD-OE2 3.29Å; P130-E134 WeakPolarHBondContact CD-OE2 3.28Å; P130-T162 WeakPolarHBondContact O-CB 3.49Å; P130-T162 PolarHBondContact O-OG1 2.83Å; P130-N163 HydrophobicContact CB-CB 4.14Å; P130-Y164 WeakPolarHBondContact O-CB 3.38Å; P130-Y164 PolarHBondContact O-N 3.34Å | ||
| 131 | S | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -144.2 | 152.2 | -172.8 | 75.7 | 0 | 0 | 0 | 0 | 115.1 | I97 R133 E134 A135 D166 | I97-S131 WeakPolarHBondContact CD1-OG 3.49Å; I97-S131 WeakPolarHBondContact CG1-OG 3.17Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 2.66Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 PolarHBondContact OG-N 2.97Å; S131-E134 VanDerWaalsContact OG-N 3.1Å; S131-A135 PolarHBondContact O-N 2.97Å; S131-D166 VanDerWaalsContact CA-OD2 3.23Å; S131-D166 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 132 | L | 98.5 | Very high | 98.5 | Very high | 27 Ų | 27 | 19.5 Ų | 19.5 | 14% | 0.141 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 170.4 | 174.4 | 61.1 | 0 | 0 | 0 | 111.9 | E134 A135 K136 D166 V171 E174 L175 | L132-E134 PolarHBondContact O-N 2.7Å; L132-A135 PolarHBondContact O-N 2.99Å; L132-K136 HydrophobicContact CD1-CG 4.26Å; L132-K136 HydrophobicContact CG-CD 4.47Å; L132-K136 WeakPolarHBondContact O-CG 3.35Å; L132-K136 PolarHBondContact O-N 3.27Å; L132-D166 PolarHBondContact N-OD2 3.38Å; L132-V171 HydrophobicContact CB-CG1 4.34Å; L132-V171 HydrophobicContact CB-CG2 3.91Å; L132-V171 HydrophobicContact CD1-CG1 4.1Å; L132-E174 HydrophobicContact CD1-CB 4.35Å; L132-E174 HydrophobicContact CD1-CG 4.2Å; L132-E174 HydrophobicContact CD2-CB 4.27Å; L132-E174 HydrophobicContact CD2-CG 4.27Å; L132-L175 HydrophobicContact CD1-CD2 3.8Å; L132-L175 HydrophobicContact CD1-CG 3.98Å |
| 133 | R | 98.3 | Very high | 98.5 | Very high | 105 Ų | 105 | 19.8 Ų | 19.8 | 40% | 0.396 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 179.8 | 179.6 | 172 | 173.4 | -167.1 | -3.5 | 111 | I97 D98 S131 K136 L137 | I97-R133 HydrophobicContact CG2-CB 4.09Å; I97-R133 HydrophobicContact CG2-CG 4.3Å; I97-R133 PolarHBondContact O-NH1 3.31Å; D98-R133 IonicContact OD1-NH1 3.53Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 2.66Å; R133-K136 PolarHBondContact O-N 2.79Å; R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.33Å |
| 134 | E | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.6 | -173.4 | 176.2 | -151.9 | 0 | 0 | 112.2 | Y82 Y96 I97 I105 F109 L129 P130 S131 L132 K136 L137 A138 | Y82-E134 VanDerWaalsContact CB-OE1 3.3Å; Y82-E134 WeakPolarHBondContact CB-OE1 3.49Å; Y82-E134 PolarHBondContact N-OE1 3.36Å; Y96-E134 PolarHBondContact OH-OE1 2.95Å; Y96-E134 VanDerWaalsContact OH-OE1 3.04Å; Y96-E134 PolarHBondContact OH-OE2 3.36Å; I97-E134 HydrophobicContact CD1-CB 3.74Å; I97-E134 HydrophobicContact CD1-CG 4.5Å; I105-E134 HydrophobicContact CG2-CG 4.02Å; F109-E134 HydrophobicContact CE2-CG 3.7Å; F109-E134 HydrophobicContact CZ-CG 3.93Å; L129-E134 HydrophobicContact CD2-CG 4.24Å; P130-E134 VanDerWaalsContact CD-OE2 3.29Å; P130-E134 WeakPolarHBondContact CD-OE2 3.28Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 PolarHBondContact OG-N 2.97Å; S131-E134 VanDerWaalsContact OG-N 3.1Å; L132-E134 PolarHBondContact O-N 2.7Å; E134-K136 VanDerWaalsContact C-N 3.25Å; E134-K136 PolarHBondContact O-N 3.38Å; E134-L137 WeakPolarHBondContact O-CB 3.37Å; E134-L137 PolarHBondContact O-N 3.21Å; E134-A138 PolarHBondContact O-N 3.49Å |
| 135 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.1 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L129 S131 L132 L137 A138 I139 I152 F154 L175 | L129-A135 VanDerWaalsContact CD1-CA 3.47Å; L129-A135 HydrophobicContact CD1-CB 3.62Å; S131-A135 PolarHBondContact O-N 2.97Å; L132-A135 PolarHBondContact O-N 2.99Å; A135-L137 PolarHBondContact O-N 3.41Å; A135-A138 PolarHBondContact O-N 3.15Å; A135-I139 WeakPolarHBondContact O-CB 3.42Å; A135-I139 WeakPolarHBondContact O-CD1 3.4Å; A135-I139 WeakPolarHBondContact O-CG1 3.43Å; A135-I139 PolarHBondContact O-N 3.06Å; A135-I152 HydrophobicContact CB-CG2 4.02Å; A135-F154 HydrophobicContact CB-CE1 3.81Å; A135-F154 HydrophobicContact CB-CZ 3.56Å; A135-L175 HydrophobicContact CB-CD1 4.32Å |
| 136 | K | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 37% | 0.374 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.8 | -74.6 | 179.7 | 170.1 | -173.2 | 0 | 112.7 | L132 R133 E134 E140 E174 | L132-K136 HydrophobicContact CD1-CG 4.26Å; L132-K136 HydrophobicContact CG-CD 4.47Å; L132-K136 WeakPolarHBondContact O-CG 3.35Å; L132-K136 PolarHBondContact O-N 3.27Å; R133-K136 PolarHBondContact O-N 2.79Å; E134-K136 VanDerWaalsContact C-N 3.25Å; E134-K136 PolarHBondContact O-N 3.38Å; K136-E140 WeakPolarHBondContact O-CB 3.37Å; K136-E140 PolarHBondContact O-N 3.48Å; K136-E174 VanDerWaalsContact CE-CG 3.43Å; K136-E174 VanDerWaalsContact CE-OE1 3.23Å; K136-E174 WeakPolarHBondContact CE-OE1 3.46Å; K136-E174 IonicContact NZ-OE1 2.89Å; K136-E174 PolarHBondContact NZ-OE1 3.31Å |
| 137 | L | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177.2 | -60 | 173.6 | 0 | 0 | 0 | 111.2 | P102 I105 K106 R133 E134 A135 E140 V141 | P102-L137 HydrophobicContact CB-CD1 4.01Å; P102-L137 HydrophobicContact CB-CD2 4.09Å; I105-L137 HydrophobicContact CB-CD1 3.98Å; I105-L137 HydrophobicContact CD1-CD1 4.08Å; I105-L137 HydrophobicContact CG2-CB 4.22Å; I105-L137 HydrophobicContact CG2-CD1 3.81Å; K106-L137 HydrophobicContact CD-CD2 4.35Å; K106-L137 HydrophobicContact CG-CB 4.23Å; K106-L137 HydrophobicContact CG-CD2 4.15Å; R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.33Å; E134-L137 WeakPolarHBondContact O-CB 3.37Å; E134-L137 PolarHBondContact O-N 3.21Å; A135-L137 PolarHBondContact O-N 3.41Å; L137-E140 PolarHBondContact O-N 3.29Å; L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 3.2Å; L137-V141 VanDerWaalsContact O-N 3.15Å |
| 138 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F109 I126 E134 A135 V141 A142 | F109-A138 HydrophobicContact CD1-CB 3.94Å; F109-A138 HydrophobicContact CD2-CB 3.82Å; F109-A138 HydrophobicContact CE1-CB 3.8Å; F109-A138 HydrophobicContact CE2-CB 3.67Å; F109-A138 HydrophobicContact CG-CB 3.98Å; F109-A138 HydrophobicContact CZ-CB 3.67Å; I126-A138 HydrophobicContact CD1-CB 4.08Å; I126-A138 HydrophobicContact CG2-CB 3.97Å; E134-A138 PolarHBondContact O-N 3.49Å; A135-A138 PolarHBondContact O-N 3.15Å; A138-V141 PolarHBondContact O-N 3.27Å; A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.2Å; A138-A142 PolarHBondContact O-N 2.95Å |
| 139 | I | 98.7 | Very high | 98 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.3 | -68.4 | 162.3 | 0 | 0 | 0 | 111 | A135 V141 A142 S143 I152 L175 C178 V181 | A135-I139 WeakPolarHBondContact O-CB 3.42Å; A135-I139 WeakPolarHBondContact O-CD1 3.4Å; A135-I139 WeakPolarHBondContact O-CG1 3.43Å; A135-I139 PolarHBondContact O-N 3.06Å; I139-V141 VanDerWaalsContact C-N 3.3Å; I139-V141 PolarHBondContact O-N 3.14Å; I139-A142 PolarHBondContact O-N 3.18Å; I139-S143 VanDerWaalsContact O-CB 3.25Å; I139-S143 WeakPolarHBondContact O-CB 3.38Å; I139-S143 PolarHBondContact O-N 3.15Å; I139-S143 PolarHBondContact O-OG 3.33Å; I139-S143 VanDerWaalsContact O-OG 3.08Å; I139-I152 HydrophobicContact CD1-CD1 4.37Å; I139-I152 HydrophobicContact CD1-CG1 3.97Å; I139-I152 HydrophobicContact CG1-CD1 3.67Å; I139-I152 HydrophobicContact CG1-CG1 3.79Å; I139-L175 HydrophobicContact CD1-CD1 4.22Å; I139-L175 HydrophobicContact CD1-CD2 3.48Å; I139-L175 VanDerWaalsContact CD1-CD2 3.48Å; I139-L175 HydrophobicContact CD1-CG 4.45Å; I139-C178 HydrophobicContact CG2-CB 4.42Å; I139-V181 HydrophobicContact CD1-CG2 3.78Å; I139-V181 HydrophobicContact CG1-CG2 3.78Å; I139-V181 HydrophobicContact CG2-CG2 4.12Å |
| 140 | E | 98.4 | Very high | 98 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -45 | 178.3 | -171.4 | -164.7 | 136 | 0 | 0 | 111.1 | K106 K136 L137 S143 K144 | K106-E140 WeakPolarHBondContact CE-OE2 3.41Å; K106-E140 IonicContact NZ-OE1 2.66Å; K106-E140 PolarHBondContact NZ-OE1 3.45Å; K106-E140 IonicContact NZ-OE2 3.77Å; K106-E140 PolarHBondContact NZ-OE2 2.89Å; K136-E140 WeakPolarHBondContact O-CB 3.37Å; K136-E140 PolarHBondContact O-N 3.48Å; L137-E140 PolarHBondContact O-N 3.29Å; E140-S143 PolarHBondContact O-OG 3.32Å; E140-K144 WeakPolarHBondContact O-CD 3.5Å; E140-K144 WeakPolarHBondContact O-CG 3.22Å; E140-K144 IonicContact OE1-NZ 3.2Å; E140-K144 PolarHBondContact OE1-NZ 3.1Å |
| 141 | V | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -52.7 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | K106 F109 S110 L137 A138 I139 S143 K144 L145 | K106-V141 HydrophobicContact CB-CG2 3.96Å; K106-V141 HydrophobicContact CG-CG2 4.07Å; F109-V141 HydrophobicContact CB-CB 4.21Å; F109-V141 HydrophobicContact CB-CG1 4.01Å; F109-V141 HydrophobicContact CB-CG2 4.38Å; S110-V141 WeakPolarHBondContact OG-CG1 3.32Å; L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 3.2Å; L137-V141 VanDerWaalsContact O-N 3.15Å; A138-V141 PolarHBondContact O-N 3.27Å; I139-V141 VanDerWaalsContact C-N 3.3Å; I139-V141 PolarHBondContact O-N 3.14Å; V141-S143 VanDerWaalsContact C-N 3.29Å; V141-S143 PolarHBondContact O-N 3.31Å; V141-K144 PolarHBondContact O-N 3.47Å; V141-L145 HydrophobicContact CG1-CD1 3.82Å; V141-L145 PolarHBondContact O-N 3.47Å |
| 142 | A | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V113 L124 I126 A138 I139 K144 L145 C146 | V113-A142 HydrophobicContact CG1-CB 4.5Å; V113-A142 HydrophobicContact CG2-CB 4.48Å; L124-A142 HydrophobicContact CD2-CB 4.03Å; I126-A142 HydrophobicContact CD1-CB 3.83Å; A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.2Å; A138-A142 PolarHBondContact O-N 2.95Å; I139-A142 PolarHBondContact O-N 3.18Å; A142-K144 PolarHBondContact O-N 3.03Å; A142-K144 VanDerWaalsContact O-N 3.12Å; A142-L145 PolarHBondContact O-N 2.97Å; A142-C146 PolarHBondContact O-N 3.38Å |
| 143 | S | 97.6 | Very high | 98 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -18.6 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | I139 E140 V141 | I139-S143 VanDerWaalsContact O-CB 3.25Å; I139-S143 WeakPolarHBondContact O-CB 3.38Å; I139-S143 PolarHBondContact O-N 3.15Å; I139-S143 PolarHBondContact O-OG 3.33Å; I139-S143 VanDerWaalsContact O-OG 3.08Å; E140-S143 PolarHBondContact O-OG 3.32Å; V141-S143 VanDerWaalsContact C-N 3.29Å; V141-S143 PolarHBondContact O-N 3.31Å |
| 144 | K | 97.4 | Very high | 98 | Very high | 140 Ų | 140 | 38.1 Ų | 38.1 | 61% | 0.609 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -95.6 | -26.8 | 178.1 | -63.8 | 168.5 | -174.1 | 168.6 | 0 | 112.7 | E140 V141 A142 | E140-K144 WeakPolarHBondContact O-CD 3.5Å; E140-K144 WeakPolarHBondContact O-CG 3.22Å; E140-K144 IonicContact OE1-NZ 3.2Å; E140-K144 PolarHBondContact OE1-NZ 3.1Å; V141-K144 PolarHBondContact O-N 3.47Å; A142-K144 PolarHBondContact O-N 3.03Å; A142-K144 VanDerWaalsContact O-N 3.12Å |
| 145 | L | 97.2 | Very high | 98 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 40% | 0.398 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -112.4 | -17.3 | -168 | -60.7 | -177.9 | 0 | 0 | 0 | 114 | V113 V141 A142 | V113-L145 HydrophobicContact CG1-CB 4.05Å; V141-L145 HydrophobicContact CG1-CD1 3.82Å; V141-L145 PolarHBondContact O-N 3.47Å; A142-L145 PolarHBondContact O-N 2.97Å |
| 146 | C | 94.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -132.1 | 128.5 | -172.3 | -158 | 0 | 0 | 0 | 0 | 111.4 | V113 C117 L124 A142 V148 | V113-C146 HydrophobicContact CG1-CB 3.78Å; C117-C146 HydrophobicContact CB-CB 4.03Å; C117-C146 WeakPolarHBondContact CB-SG 3.47Å; C117-C146 WeakPolarHBondContact SG-CB 3.41Å; C117-C146 CovalentContact SG-SG 2.06Å; C117-C146 PolarHBondContact SG-SG 3.47Å; L124-C146 HydrophobicContact CD2-CB 4.36Å; A142-C146 PolarHBondContact O-N 3.38Å; C146-V148 WeakPolarHBondContact SG-CG2 3.46Å | ||
| 147 | N | 95.4 | Very high | 97.7 | Very high | 165 Ų | 165 | 38.2 Ų | 38.2 | 88% | 0.882 | 20% | 0.202 | S | C | * | . | trans | -105.9 | 9.9 | -176.1 | -67.8 | -37.7 | 0 | 0 | 0 | 113.5 | ||||
| 148 | V | 97.7 | Very high | 97.5 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -98.2 | 157.3 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | V121 D122 L124 C146 T150 | V121-V148 HydrophobicContact CG2-CG2 4.18Å; D122-V148 WeakPolarHBondContact O-CB 3.33Å; L124-V148 HydrophobicContact CB-CG2 4.32Å; C146-V148 WeakPolarHBondContact SG-CG2 3.46Å; V148-T150 PolarHBondContact O-N 2.97Å; V148-T150 PolarHBondContact O-OG1 3.35Å |
| 149 | P | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | trans | -51.3 | 126.2 | 173.4 | -27.4 | 36 | 0 | 0 | 0 | 111.2 | C123 L124 A182 | C123-P149 CarbonylContact C-O 3.55Å; C123-P149 WeakPolarHBondContact CA-O 3.34Å; C123-P149 HydrophobicContact CB-CB 4.49Å; C123-P149 WeakPolarHBondContact CB-O 3.31Å; L124-P149 PolarHBondContact N-O 3.29Å; P149-A182 HydrophobicContact CB-CB 3.84Å | ||
| 150 | T | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.4 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | L124 I126 V148 I152 A182 | L124-T150 HydrophobicContact CB-CG2 4.14Å; L124-T150 HydrophobicContact CD2-CG2 3.94Å; L124-T150 HydrophobicContact CG-CG2 4.23Å; L124-T150 CarbonylContact O-C 3.51Å; L124-T150 VanDerWaalsContact O-CA 3.32Å; L124-T150 WeakPolarHBondContact O-CA 3.42Å; I126-T150 HydrophobicContact CD1-CG2 4.11Å; I126-T150 HydrophobicContact CG1-CG2 4.18Å; V148-T150 PolarHBondContact O-N 2.97Å; V148-T150 PolarHBondContact O-OG1 3.35Å; T150-I152 HydrophobicContact CG2-CD1 4.11Å; T150-A182 PolarHBondContact O-N 3.11Å |
| 151 | W | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 149.1 | 165.2 | 74.6 | 72.6 | 0 | 0 | 0 | 112 | V20 E22 A76 C123 L124 A125 I126 A183 V208 Y210 | V20-W151 HydrophobicContact CG1-CH2 3.89Å; V20-W151 HydrophobicContact CG1-CZ3 4.26Å; E22-W151 HydrophobicContact CG-CZ2 4.25Å; E22-W151 WeakPolarHBondContact OE1-CZ2 3.28Å; A76-W151 HydrophobicContact CB-CH2 3.27Å; A76-W151 HydrophobicContact CB-CZ2 4.04Å; A76-W151 HydrophobicContact CB-CZ3 3.84Å; C123-W151 HydrophobicContact CB-CZ3 4.39Å; L124-W151 PolarHBondContact O-N 2.64Å; A125-W151 HydrophobicContact CB-CD2 4.03Å; A125-W151 HydrophobicContact CB-CH2 3.98Å; A125-W151 HydrophobicContact CB-CZ2 3.21Å; I126-W151 PolarHBondContact N-O 3.48Å; W151-A183 VanDerWaalsContact CA-O 3.25Å; W151-A183 WeakPolarHBondContact CA-O 3.41Å; W151-A183 HydrophobicContact CB-CB 3.69Å; W151-V208 HydrophobicContact CB-CG1 4.26Å; W151-V208 HydrophobicContact CG-CG1 4.11Å; W151-Y210 AromaticContact NE1-CZ 3.95Å; W151-Y210 PolarHBondContact NE1-OH 3.17Å; W151-Y210 VanDerWaalsContact NE1-OH 3.09Å |
| 152 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.5 | 173.5 | -52 | -60.6 | 0 | 0 | 0 | 107.8 | I126 L129 A135 I139 T150 F154 L175 V181 A183 L184 G185 | I126-I152 HydrophobicContact CB-CD1 3.82Å; I126-I152 HydrophobicContact CD1-CD1 3.95Å; I126-I152 HydrophobicContact CG1-CD1 4.22Å; I126-I152 HydrophobicContact CG2-CD1 4.44Å; I126-I152 WeakPolarHBondContact O-CA 3.47Å; L129-I152 HydrophobicContact CD1-CG2 3.77Å; A135-I152 HydrophobicContact CB-CG2 4.02Å; I139-I152 HydrophobicContact CD1-CD1 4.37Å; I139-I152 HydrophobicContact CD1-CG1 3.97Å; I139-I152 HydrophobicContact CG1-CD1 3.67Å; I139-I152 HydrophobicContact CG1-CG1 3.79Å; T150-I152 HydrophobicContact CG2-CD1 4.11Å; I152-F154 HydrophobicContact CG2-CE2 3.74Å; I152-F154 HydrophobicContact CG2-CZ 3.88Å; I152-L175 HydrophobicContact CB-CD1 4.41Å; I152-L175 HydrophobicContact CG2-CD1 4.09Å; I152-V181 HydrophobicContact CB-CG1 4.49Å; I152-V181 HydrophobicContact CG1-CG1 3.88Å; I152-V181 HydrophobicContact CG1-CG2 3.86Å; I152-A183 PolarHBondContact N-O 2.99Å; I152-A183 VanDerWaalsContact N-O 3.1Å; I152-L184 HydrophobicContact CB-CD2 4.05Å; I152-L184 WeakPolarHBondContact O-CA 3.38Å; I152-G185 PolarHBondContact O-N 2.96Å |
| 153 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.1 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | I126 E127 T128 L129 G185 I186 N187 | I126-S153 PolarHBondContact O-N 3.25Å; E127-S153 CarbonylContact C-O 3.55Å; T128-S153 PolarHBondContact N-O 3.49Å; L129-S153 PolarHBondContact N-O 3.46Å; S153-G185 WeakPolarHBondContact CA-O 3.44Å; S153-I186 WeakPolarHBondContact OG-CA 3.39Å; S153-I186 PolarHBondContact OG-N 2.8Å; S153-N187 VanDerWaalsContact CB-OD1 3.31Å; S153-N187 WeakPolarHBondContact CB-OD1 3.29Å; S153-N187 WeakPolarHBondContact OG-CB 3.25Å; S153-N187 PolarHBondContact OG-N 3.4Å; S153-N187 VanDerWaalsContact OG-N 3.08Å; S153-N187 PolarHBondContact OG-OD1 2.87Å |
| 154 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.2 | -176.3 | -66.6 | -92.4 | 0 | 0 | 0 | 111.9 | L129 A135 I152 T162 F168 V171 L175 G185 I186 N187 | L129-F154 HydrophobicContact CB-CD1 4.12Å; L129-F154 HydrophobicContact CB-CE1 4.22Å; L129-F154 VanDerWaalsContact O-CA 3.28Å; L129-F154 WeakPolarHBondContact O-CA 3.11Å; L129-F154 VanDerWaalsContact O-CD1 3.27Å; L129-F154 WeakPolarHBondContact O-CD1 3.47Å; A135-F154 HydrophobicContact CB-CE1 3.81Å; A135-F154 HydrophobicContact CB-CZ 3.56Å; I152-F154 HydrophobicContact CG2-CE2 3.74Å; I152-F154 HydrophobicContact CG2-CZ 3.88Å; F154-T162 HydrophobicContact CD1-CG2 4Å; F154-T162 HydrophobicContact CG-CG2 4.5Å; F154-F168 HydrophobicContact CB-CE2 4.13Å; F154-F168 HydrophobicContact CD2-CE2 4.03Å; F154-F168 HydrophobicContact CG-CE2 4.25Å; F154-V171 HydrophobicContact CD1-CG1 4.25Å; F154-V171 HydrophobicContact CD2-CG1 4.19Å; F154-V171 HydrophobicContact CE1-CG1 3.63Å; F154-V171 HydrophobicContact CE2-CG1 3.57Å; F154-V171 HydrophobicContact CZ-CG1 3.25Å; F154-L175 HydrophobicContact CE2-CD1 3.68Å; F154-L175 HydrophobicContact CZ-CD1 3.59Å; F154-G185 PolarHBondContact N-O 3.18Å; F154-I186 WeakPolarHBondContact O-CA 3.48Å; F154-N187 PolarHBondContact O-N 3.44Å; F154-N187 VanDerWaalsContact O-O 3.13Å |
| 155 | S | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -91.9 | 128.1 | 161.1 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | E91 T128 L129 N163 | E91-S155 PolarHBondContact O-OG 3.37Å; T128-S155 PolarHBondContact O-OG 3.37Å; L129-S155 PolarHBondContact O-N 3.5Å; L129-S155 VanDerWaalsContact O-N 3.1Å; S155-N163 WeakPolarHBondContact CB-ND2 3.43Å; S155-N163 PolarHBondContact O-N 2.73Å; S155-N163 PolarHBondContact OG-ND2 2.86Å | ||
| 156 | C | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 164.4 | -172.3 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | L161 I186 T189 L197 | C156-L161 CarbonylContact C-O 3.57Å; C156-L161 VanDerWaalsContact CA-O 3.27Å; C156-L161 WeakPolarHBondContact CA-O 3.47Å; C156-L161 VanDerWaalsContact CB-O 3.27Å; C156-L161 WeakPolarHBondContact CB-O 3.42Å; C156-I186 HydrophobicContact CB-CG2 4.35Å; C156-T189 HydrophobicContact CB-CG2 4.04Å; C156-T189 PolarHBondContact N-OG1 3.06Å; C156-T189 WeakPolarHBondContact O-CG2 3.49Å; C156-L197 HydrophobicContact CB-CD1 3.63Å; C156-L197 HydrophobicContact CB-CD2 4.05Å |
| 157 | K | 94.7 | Very high | 97.5 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | -179.7 | 175 | 63.8 | -170.7 | 176 | -161.9 | 0 | 110.8 | L161 T162 N163 | K157-L161 HydrophobicContact CG-CB 4.04Å; K157-L161 PolarHBondContact N-O 3.39Å; K157-T162 WeakPolarHBondContact CE-O 3.47Å; K157-N163 PolarHBondContact NZ-O 3.28Å |
| 158 | E | 94.9 | Very high | 97.7 | Very high | 152 Ų | 152 | 35.2 Ų | 35.2 | 71% | 0.71 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 154.8 | 175.2 | 61.4 | 179.6 | -171.9 | 0 | 0 | 112.8 | ||
| 159 | G | 96.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 64% | 0.639 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 18.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L161 | G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 3.12Å |
| 160 | C | 97.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 40.3 | -179.3 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | F168 L197 C200 | C160-F168 VanDerWaalsContact O-CB 3.23Å; C160-F168 WeakPolarHBondContact O-CB 3.24Å; C160-F168 PolarHBondContact O-N 2.82Å; C160-L197 HydrophobicContact CB-CD2 4.22Å; C160-C200 HydrophobicContact CB-CB 4.43Å |
| 161 | L | 98.2 | Very high | 97.7 | Very high | 56 Ų | 56 | 36 Ų | 36 | 29% | 0.293 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.8 | 179.5 | -58.5 | 178.6 | 0 | 0 | 0 | 110.6 | C156 K157 G159 D166 | C156-L161 CarbonylContact C-O 3.57Å; C156-L161 VanDerWaalsContact CA-O 3.27Å; C156-L161 WeakPolarHBondContact CA-O 3.47Å; C156-L161 VanDerWaalsContact CB-O 3.27Å; C156-L161 WeakPolarHBondContact CB-O 3.42Å; K157-L161 HydrophobicContact CG-CB 4.04Å; K157-L161 PolarHBondContact N-O 3.39Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 3.12Å; L161-D166 CarbonylContact C-O 3.53Å; L161-D166 VanDerWaalsContact CA-O 3.29Å; L161-D166 WeakPolarHBondContact CA-O 3.23Å |
| 162 | T | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 163.6 | 160.5 | 68.7 | 0 | 0 | 0 | 0 | 109.8 | P130 F154 K157 Y164 G165 D166 F168 V171 | P130-T162 WeakPolarHBondContact O-CB 3.49Å; P130-T162 PolarHBondContact O-OG1 2.83Å; F154-T162 HydrophobicContact CD1-CG2 4Å; F154-T162 HydrophobicContact CG-CG2 4.5Å; K157-T162 WeakPolarHBondContact CE-O 3.47Å; T162-Y164 PolarHBondContact O-N 3.13Å; T162-G165 WeakPolarHBondContact O-CA 3.46Å; T162-G165 PolarHBondContact O-N 3.33Å; T162-G165 PolarHBondContact OG1-N 2.53Å; T162-D166 HydrophobicContact CG2-CB 4.01Å; T162-D166 PolarHBondContact N-O 3.19Å; T162-D166 WeakPolarHBondContact OG1-CB 3.25Å; T162-D166 PolarHBondContact OG1-N 3.34Å; T162-D166 PolarHBondContact OG1-OD2 2.75Å; T162-F168 HydrophobicContact CG2-CD2 4.38Å; T162-V171 HydrophobicContact CG2-CG2 3.86Å |
| 163 | N | 97.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -60.5 | -33.1 | 178.9 | -87.4 | -29.4 | 0 | 0 | 0 | 113.4 | Y92 P130 S155 K157 G165 | Y92-N163 WeakPolarHBondContact O-CB 3.48Å; Y92-N163 VanDerWaalsContact O-CG 3.3Å; P130-N163 HydrophobicContact CB-CB 4.14Å; S155-N163 WeakPolarHBondContact CB-ND2 3.43Å; S155-N163 PolarHBondContact O-N 2.73Å; S155-N163 PolarHBondContact OG-ND2 2.86Å; K157-N163 PolarHBondContact NZ-O 3.28Å; N163-G165 VanDerWaalsContact C-N 3.32Å |
| 164 | Y | 97.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 28% | 0.275 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -68.2 | -29.5 | 171.7 | -177.5 | -114.6 | 0 | 0 | 0 | 113.1 | N93 G94 I97 D98 P130 T162 | N93-Y164 WeakPolarHBondContact O-CA 3.44Å; G94-Y164 WeakPolarHBondContact O-CD2 3.43Å; I97-Y164 HydrophobicContact CB-CD2 3.96Å; I97-Y164 HydrophobicContact CB-CE2 3.71Å; I97-Y164 HydrophobicContact CG1-CD2 4.12Å; I97-Y164 HydrophobicContact CG1-CE2 4.39Å; I97-Y164 HydrophobicContact CG1-CG 4.47Å; I97-Y164 HydrophobicContact CG2-CD2 4.4Å; I97-Y164 HydrophobicContact CG2-CE1 4.11Å; I97-Y164 HydrophobicContact CG2-CE2 3.98Å; D98-Y164 PolarHBondContact OD1-OH 3.35Å; D98-Y164 WeakPolarHBondContact OD2-CE2 3.46Å; D98-Y164 PolarHBondContact OD2-OH 2.85Å; P130-Y164 WeakPolarHBondContact O-CB 3.38Å; P130-Y164 PolarHBondContact O-N 3.34Å; T162-Y164 PolarHBondContact O-N 3.13Å |
| 165 | G | 97.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | trans | 114.6 | 10.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T162 N163 | T162-G165 WeakPolarHBondContact O-CA 3.46Å; T162-G165 PolarHBondContact O-N 3.33Å; T162-G165 PolarHBondContact OG1-N 2.53Å; N163-G165 VanDerWaalsContact C-N 3.32Å | ||
| 166 | D | 98.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | trans | -67.2 | 140.3 | 170.6 | -56.2 | -56.2 | 0 | 0 | 0 | 109.7 | S131 L132 L161 T162 F168 V171 | S131-D166 VanDerWaalsContact CA-OD2 3.23Å; S131-D166 WeakPolarHBondContact CA-OD2 3.41Å; L132-D166 PolarHBondContact N-OD2 3.38Å; L161-D166 CarbonylContact C-O 3.53Å; L161-D166 VanDerWaalsContact CA-O 3.29Å; L161-D166 WeakPolarHBondContact CA-O 3.23Å; T162-D166 HydrophobicContact CG2-CB 4.01Å; T162-D166 PolarHBondContact N-O 3.19Å; T162-D166 WeakPolarHBondContact OG1-CB 3.25Å; T162-D166 PolarHBondContact OG1-N 3.34Å; T162-D166 PolarHBondContact OG1-OD2 2.75Å; D166-F168 PolarHBondContact O-N 3.07Å; D166-V171 HydrophobicContact CB-CG2 3.61Å | ||
| 167 | A | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -65.1 | 118.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C169 D170 V171 | A167-C169 PolarHBondContact O-N 2.91Å; A167-D170 HydrophobicContact CB-CB 4.36Å; A167-D170 WeakPolarHBondContact O-CB 3.44Å; A167-D170 PolarHBondContact O-N 3.18Å; A167-V171 WeakPolarHBondContact O-CG2 3.47Å; A167-V171 PolarHBondContact O-N 2.73Å; A167-V171 VanDerWaalsContact O-N 3.11Å |
| 168 | F | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -32.6 | -171.6 | -174.9 | -111.7 | 0 | 0 | 0 | 112.8 | F154 C160 T162 D166 D170 V171 I172 I186 L197 A201 | F154-F168 HydrophobicContact CB-CE2 4.13Å; F154-F168 HydrophobicContact CD2-CE2 4.03Å; F154-F168 HydrophobicContact CG-CE2 4.25Å; C160-F168 VanDerWaalsContact O-CB 3.23Å; C160-F168 WeakPolarHBondContact O-CB 3.24Å; C160-F168 PolarHBondContact O-N 2.82Å; T162-F168 HydrophobicContact CG2-CD2 4.38Å; D166-F168 PolarHBondContact O-N 3.07Å; F168-D170 VanDerWaalsContact C-N 3.34Å; F168-D170 PolarHBondContact O-N 3.42Å; F168-V171 WeakPolarHBondContact O-CB 3.35Å; F168-V171 PolarHBondContact O-N 2.76Å; F168-I172 HydrophobicContact CD1-CG1 4.22Å; F168-I172 HydrophobicContact CD2-CG1 4.49Å; F168-I172 HydrophobicContact CE1-CD1 4.22Å; F168-I172 HydrophobicContact CE1-CG1 3.75Å; F168-I172 HydrophobicContact CE2-CD1 3.97Å; F168-I172 HydrophobicContact CE2-CG1 4.06Å; F168-I172 HydrophobicContact CZ-CD1 3.63Å; F168-I172 HydrophobicContact CZ-CG1 3.65Å; F168-I172 WeakPolarHBondContact O-CG1 3.44Å; F168-I172 PolarHBondContact O-N 2.93Å; F168-I186 HydrophobicContact CE1-CD1 3.74Å; F168-I186 HydrophobicContact CE1-CG1 3.9Å; F168-I186 HydrophobicContact CE2-CG1 3.98Å; F168-I186 HydrophobicContact CZ-CD1 3.62Å; F168-I186 HydrophobicContact CZ-CG1 3.4Å; F168-L197 HydrophobicContact CB-CD2 3.8Å; F168-L197 HydrophobicContact CD1-CB 4.1Å; F168-L197 HydrophobicContact CD1-CD2 3.6Å; F168-L197 HydrophobicContact CD1-CG 4.48Å; F168-L197 HydrophobicContact CD2-CD2 4.5Å; F168-L197 HydrophobicContact CE1-CB 4.16Å; F168-L197 HydrophobicContact CE1-CD2 4.32Å; F168-L197 HydrophobicContact CG-CD2 3.71Å; F168-A201 HydrophobicContact CD1-CB 3.59Å; F168-A201 HydrophobicContact CE1-CB 3.72Å |
| 169 | C | 98.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 31% | 0.311 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 113 | A167 T173 C200 A201 | A167-C169 PolarHBondContact O-N 2.91Å; C169-T173 WeakPolarHBondContact O-CB 3.34Å; C169-T173 PolarHBondContact O-N 3.4Å; C169-T173 PolarHBondContact O-OG1 3.46Å; C169-C200 VanDerWaalsContact CB-O 3.27Å; C169-C200 WeakPolarHBondContact CB-O 3.3Å; C169-A201 HydrophobicContact CB-CB 4.46Å |
| 170 | D | 98.5 | Very high | 97.9 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | 176.6 | -68.2 | -24.9 | 0 | 0 | 0 | 110.9 | A167 F168 T173 E174 | A167-D170 HydrophobicContact CB-CB 4.36Å; A167-D170 WeakPolarHBondContact O-CB 3.44Å; A167-D170 PolarHBondContact O-N 3.18Å; F168-D170 VanDerWaalsContact C-N 3.34Å; F168-D170 PolarHBondContact O-N 3.42Å; D170-T173 PolarHBondContact O-N 3.39Å; D170-E174 WeakPolarHBondContact O-CB 3.49Å; D170-E174 PolarHBondContact O-N 3.01Å |
| 171 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.2 | -52.8 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L132 F154 T162 D166 A167 F168 E174 L175 | L132-V171 HydrophobicContact CB-CG1 4.34Å; L132-V171 HydrophobicContact CB-CG2 3.91Å; L132-V171 HydrophobicContact CD1-CG1 4.1Å; F154-V171 HydrophobicContact CD1-CG1 4.25Å; F154-V171 HydrophobicContact CD2-CG1 4.19Å; F154-V171 HydrophobicContact CE1-CG1 3.63Å; F154-V171 HydrophobicContact CE2-CG1 3.57Å; F154-V171 HydrophobicContact CZ-CG1 3.25Å; T162-V171 HydrophobicContact CG2-CG2 3.86Å; D166-V171 HydrophobicContact CB-CG2 3.61Å; A167-V171 WeakPolarHBondContact O-CG2 3.47Å; A167-V171 PolarHBondContact O-N 2.73Å; A167-V171 VanDerWaalsContact O-N 3.11Å; F168-V171 WeakPolarHBondContact O-CB 3.35Å; F168-V171 PolarHBondContact O-N 2.76Å; V171-E174 PolarHBondContact O-N 3.34Å; V171-L175 HydrophobicContact CG1-CD1 4.35Å; V171-L175 WeakPolarHBondContact O-CG 3.45Å; V171-L175 PolarHBondContact O-N 3.26Å |
| 172 | I | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | -179.8 | -64.4 | -57.7 | 0 | 0 | 0 | 111.5 | F168 E174 L175 N176 L184 A201 | F168-I172 HydrophobicContact CD1-CG1 4.22Å; F168-I172 HydrophobicContact CD2-CG1 4.49Å; F168-I172 HydrophobicContact CE1-CD1 4.22Å; F168-I172 HydrophobicContact CE1-CG1 3.75Å; F168-I172 HydrophobicContact CE2-CD1 3.97Å; F168-I172 HydrophobicContact CE2-CG1 4.06Å; F168-I172 HydrophobicContact CZ-CD1 3.63Å; F168-I172 HydrophobicContact CZ-CG1 3.65Å; F168-I172 WeakPolarHBondContact O-CG1 3.44Å; F168-I172 PolarHBondContact O-N 2.93Å; I172-E174 VanDerWaalsContact C-N 3.3Å; I172-E174 PolarHBondContact O-N 2.89Å; I172-L175 PolarHBondContact O-N 2.7Å; I172-N176 WeakPolarHBondContact O-CB 3.48Å; I172-N176 VanDerWaalsContact O-CG 3.24Å; I172-N176 PolarHBondContact O-N 3.06Å; I172-N176 PolarHBondContact O-ND2 3.08Å; I172-L184 HydrophobicContact CD1-CB 3.86Å; I172-L184 HydrophobicContact CD1-CD1 3.97Å; I172-L184 HydrophobicContact CD1-CG 4.4Å; I172-L184 HydrophobicContact CG2-CD1 4.32Å; I172-A201 HydrophobicContact CB-CB 3.9Å; I172-A201 HydrophobicContact CG1-CB 3.66Å; I172-A201 HydrophobicContact CG2-CB 4.28Å |
| 173 | T | 98.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | C169 D170 | C169-T173 WeakPolarHBondContact O-CB 3.34Å; C169-T173 PolarHBondContact O-N 3.4Å; C169-T173 PolarHBondContact O-OG1 3.46Å; D170-T173 PolarHBondContact O-N 3.39Å |
| 174 | E | 98.4 | Very high | 98 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -46.8 | 177.6 | -179.4 | 66.5 | 170.2 | 0 | 0 | 111.8 | L132 K136 D170 V171 I172 N176 R177 | L132-E174 HydrophobicContact CD1-CB 4.35Å; L132-E174 HydrophobicContact CD1-CG 4.2Å; L132-E174 HydrophobicContact CD2-CB 4.27Å; L132-E174 HydrophobicContact CD2-CG 4.27Å; K136-E174 VanDerWaalsContact CE-CG 3.43Å; K136-E174 VanDerWaalsContact CE-OE1 3.23Å; K136-E174 WeakPolarHBondContact CE-OE1 3.46Å; K136-E174 IonicContact NZ-OE1 2.89Å; K136-E174 PolarHBondContact NZ-OE1 3.31Å; D170-E174 WeakPolarHBondContact O-CB 3.49Å; D170-E174 PolarHBondContact O-N 3.01Å; V171-E174 PolarHBondContact O-N 3.34Å; I172-E174 VanDerWaalsContact C-N 3.3Å; I172-E174 PolarHBondContact O-N 2.89Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.41Å; E174-R177 VanDerWaalsContact O-CB 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.5Å; E174-R177 PolarHBondContact O-N 3.06Å; E174-R177 VanDerWaalsContact O-N 3.09Å; E174-R177 IonicContact OE2-CZ 3.14Å; E174-R177 IonicContact OE2-NH1 3.92Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å |
| 175 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.4 | -20.1 | -177 | -66.2 | -165.3 | 0 | 0 | 0 | 114.1 | L132 A135 I139 I152 F154 V171 I172 R177 C178 L184 K205 | L132-L175 HydrophobicContact CD1-CD2 3.8Å; L132-L175 HydrophobicContact CD1-CG 3.98Å; A135-L175 HydrophobicContact CB-CD1 4.32Å; I139-L175 HydrophobicContact CD1-CD1 4.22Å; I139-L175 HydrophobicContact CD1-CD2 3.48Å; I139-L175 VanDerWaalsContact CD1-CD2 3.48Å; I139-L175 HydrophobicContact CD1-CG 4.45Å; I152-L175 HydrophobicContact CB-CD1 4.41Å; I152-L175 HydrophobicContact CG2-CD1 4.09Å; F154-L175 HydrophobicContact CE2-CD1 3.68Å; F154-L175 HydrophobicContact CZ-CD1 3.59Å; V171-L175 HydrophobicContact CG1-CD1 4.35Å; V171-L175 WeakPolarHBondContact O-CG 3.45Å; V171-L175 PolarHBondContact O-N 3.26Å; I172-L175 PolarHBondContact O-N 2.7Å; L175-R177 PolarHBondContact O-N 2.93Å; L175-C178 WeakPolarHBondContact O-CB 3.41Å; L175-C178 PolarHBondContact O-N 3.2Å; L175-L184 HydrophobicContact CB-CD1 3.86Å; L175-L184 HydrophobicContact CB-CD2 3.77Å; L175-L184 HydrophobicContact CB-CG 4.49Å; L175-L184 HydrophobicContact CD1-CD2 3.67Å; L175-L184 HydrophobicContact CG-CD2 4.41Å; L175-K205 WeakPolarHBondContact O-CE 3.37Å |
| 176 | N | 98.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.7 | 167.9 | -82.3 | -30.2 | 0 | 0 | 0 | 111.8 | I172 E174 C178 H202 Q204 | I172-N176 WeakPolarHBondContact O-CB 3.48Å; I172-N176 VanDerWaalsContact O-CG 3.24Å; I172-N176 PolarHBondContact O-N 3.06Å; I172-N176 PolarHBondContact O-ND2 3.08Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.41Å; N176-C178 VanDerWaalsContact C-N 3.32Å; N176-C178 PolarHBondContact O-N 2.91Å; N176-H202 PolarHBondContact ND2-O 3.06Å; N176-Q204 PolarHBondContact OD1-N 3.2Å |
| 177 | R | 97.2 | Very high | 98.1 | Very high | 171 Ų | 171 | 42.7 Ų | 42.7 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.4 | 178.7 | -56.1 | 173.2 | 177.9 | 135.7 | 3.1 | 113.3 | E174 L175 R179 | E174-R177 VanDerWaalsContact O-CB 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.5Å; E174-R177 PolarHBondContact O-N 3.06Å; E174-R177 VanDerWaalsContact O-N 3.09Å; E174-R177 IonicContact OE2-CZ 3.14Å; E174-R177 IonicContact OE2-NH1 3.92Å; E174-R177 PolarHBondContact OE2-NH1 3.17Å; L175-R177 PolarHBondContact O-N 2.93Å; R177-R179 PolarHBondContact O-N 2.99Å |
| 178 | C | 97 | Very high | 97.9 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -80.9 | 100 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | I139 L175 N176 S180 V181 K205 | I139-C178 HydrophobicContact CG2-CB 4.42Å; L175-C178 WeakPolarHBondContact O-CB 3.41Å; L175-C178 PolarHBondContact O-N 3.2Å; N176-C178 VanDerWaalsContact C-N 3.32Å; N176-C178 PolarHBondContact O-N 2.91Å; C178-S180 VanDerWaalsContact C-N 3.26Å; C178-S180 PolarHBondContact O-N 3.49Å; C178-V181 HydrophobicContact CB-CG2 4.01Å; C178-V181 PolarHBondContact O-N 3.37Å; C178-K205 WeakPolarHBondContact O-CE 3.29Å; C178-K205 PolarHBondContact O-NZ 3.44Å | ||
| 179 | R | 95.7 | Very high | 97.8 | Very high | 246 Ų | 246 | 41.4 Ų | 41.4 | 93% | 0.928 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.3 | -177.8 | -69.6 | -174.7 | 178.2 | 164 | -0 | 114.7 | R177 V181 | R177-R179 PolarHBondContact O-N 2.99Å; R179-V181 PolarHBondContact O-N 3.33Å |
| 180 | S | 96.6 | Very high | 97.6 | Very high | 58 Ų | 58 | 41 Ų | 41 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.4 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | C178 | C178-S180 VanDerWaalsContact C-N 3.26Å; C178-S180 PolarHBondContact O-N 3.49Å |
| 181 | V | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.5 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | I139 I152 C178 R179 A183 L184 K205 | I139-V181 HydrophobicContact CD1-CG2 3.78Å; I139-V181 HydrophobicContact CG1-CG2 3.78Å; I139-V181 HydrophobicContact CG2-CG2 4.12Å; I152-V181 HydrophobicContact CB-CG1 4.49Å; I152-V181 HydrophobicContact CG1-CG1 3.88Å; I152-V181 HydrophobicContact CG1-CG2 3.86Å; C178-V181 HydrophobicContact CB-CG2 4.01Å; C178-V181 PolarHBondContact O-N 3.37Å; R179-V181 PolarHBondContact O-N 3.33Å; V181-A183 WeakPolarHBondContact CG1-O 3.49Å; V181-L184 HydrophobicContact CG1-CD2 3.73Å; V181-L184 HydrophobicContact CG1-CG 4.26Å; V181-K205 HydrophobicContact CB-CD 4.23Å; V181-K205 HydrophobicContact CG1-CD 4.07Å; V181-K205 WeakPolarHBondContact O-CD 3.46Å; V181-K205 WeakPolarHBondContact O-CE 3.27Å; V181-K205 PolarHBondContact O-NZ 3.42Å |
| 182 | A | 98.2 | Very high | 97.1 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 34% | 0.339 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -32.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P149 T150 L206 | P149-A182 HydrophobicContact CB-CB 3.84Å; T150-A182 PolarHBondContact O-N 3.11Å; A182-L206 PolarHBondContact O-N 3.3Å |
| 183 | A | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W151 I152 V181 L206 | W151-A183 VanDerWaalsContact CA-O 3.25Å; W151-A183 WeakPolarHBondContact CA-O 3.41Å; W151-A183 HydrophobicContact CB-CB 3.69Å; I152-A183 PolarHBondContact N-O 2.99Å; I152-A183 VanDerWaalsContact N-O 3.1Å; V181-A183 WeakPolarHBondContact CG1-O 3.49Å; A183-L206 CarbonylContact C-O 3.54Å; A183-L206 WeakPolarHBondContact CA-O 3.25Å; A183-L206 HydrophobicContact CB-CB 3.67Å; A183-L206 WeakPolarHBondContact CB-O 3.42Å |
| 184 | L | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.3 | 176.2 | -66.3 | 172.7 | 0 | 0 | 0 | 109.3 | I152 I172 L175 V181 K205 L206 V207 V208 | I152-L184 HydrophobicContact CB-CD2 4.05Å; I152-L184 WeakPolarHBondContact O-CA 3.38Å; I172-L184 HydrophobicContact CD1-CB 3.86Å; I172-L184 HydrophobicContact CD1-CD1 3.97Å; I172-L184 HydrophobicContact CD1-CG 4.4Å; I172-L184 HydrophobicContact CG2-CD1 4.32Å; L175-L184 HydrophobicContact CB-CD1 3.86Å; L175-L184 HydrophobicContact CB-CD2 3.77Å; L175-L184 HydrophobicContact CB-CG 4.49Å; L175-L184 HydrophobicContact CD1-CD2 3.67Å; L175-L184 HydrophobicContact CG-CD2 4.41Å; V181-L184 HydrophobicContact CG1-CD2 3.73Å; V181-L184 HydrophobicContact CG1-CG 4.26Å; L184-K205 HydrophobicContact CD1-CD 3.83Å; L184-K205 HydrophobicContact CG-CB 4.5Å; L184-K205 HydrophobicContact CG-CD 3.87Å; L184-L206 PolarHBondContact N-O 3.1Å; L184-V207 WeakPolarHBondContact O-CA 3.19Å; L184-V208 PolarHBondContact O-N 3.47Å |
| 185 | G | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | -177.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | I152 S153 F154 V208 | I152-G185 PolarHBondContact O-N 2.96Å; S153-G185 WeakPolarHBondContact CA-O 3.44Å; F154-G185 PolarHBondContact N-O 3.18Å; G185-V208 CarbonylContact C-O 3.56Å; G185-V208 WeakPolarHBondContact CA-O 3.33Å |
| 186 | I | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.5 | 176.5 | -53.4 | 107.7 | 0 | 0 | 0 | 108.7 | S153 F154 C156 F168 T189 I194 L197 L198 V208 V209 Y210 | S153-I186 WeakPolarHBondContact OG-CA 3.39Å; S153-I186 PolarHBondContact OG-N 2.8Å; F154-I186 WeakPolarHBondContact O-CA 3.48Å; C156-I186 HydrophobicContact CB-CG2 4.35Å; F168-I186 HydrophobicContact CE1-CD1 3.74Å; F168-I186 HydrophobicContact CE1-CG1 3.9Å; F168-I186 HydrophobicContact CE2-CG1 3.98Å; F168-I186 HydrophobicContact CZ-CD1 3.62Å; F168-I186 HydrophobicContact CZ-CG1 3.4Å; I186-T189 HydrophobicContact CG2-CG2 4.14Å; I186-T189 VanDerWaalsContact CG2-OG1 3.25Å; I186-T189 WeakPolarHBondContact CG2-OG1 3.32Å; I186-I194 HydrophobicContact CB-CD1 3.95Å; I186-I194 HydrophobicContact CG2-CD1 3.52Å; I186-L197 HydrophobicContact CD1-CB 3.99Å; I186-L197 HydrophobicContact CG1-CB 4.35Å; I186-L197 HydrophobicContact CG1-CD1 4.28Å; I186-L197 HydrophobicContact CG2-CD1 4.04Å; I186-L198 HydrophobicContact CD1-CD2 3.87Å; I186-L198 HydrophobicContact CD1-CG 4.43Å; I186-V208 PolarHBondContact N-O 3.26Å; I186-V208 VanDerWaalsContact N-O 3.09Å; I186-V209 HydrophobicContact CD1-CG1 4.3Å; I186-V209 VanDerWaalsContact O-CA 3.32Å; I186-V209 WeakPolarHBondContact O-CA 3.34Å; I186-Y210 PolarHBondContact O-N 3.2Å |
| 187 | N | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 167.6 | 172.2 | 75.9 | -62.2 | 0 | 0 | 0 | 111.5 | T128 S153 F154 T189 Y210 | T128-N187 WeakPolarHBondContact CA-OD1 3.3Å; T128-N187 PolarHBondContact N-OD1 3.09Å; T128-N187 PolarHBondContact OG1-ND2 3.48Å; S153-N187 VanDerWaalsContact CB-OD1 3.31Å; S153-N187 WeakPolarHBondContact CB-OD1 3.29Å; S153-N187 WeakPolarHBondContact OG-CB 3.25Å; S153-N187 PolarHBondContact OG-N 3.4Å; S153-N187 VanDerWaalsContact OG-N 3.08Å; S153-N187 PolarHBondContact OG-OD1 2.87Å; F154-N187 PolarHBondContact O-N 3.44Å; F154-N187 VanDerWaalsContact O-O 3.13Å; N187-T189 PolarHBondContact O-N 3.17Å; N187-T189 PolarHBondContact O-OG1 3.46Å; N187-Y210 VanDerWaalsContact CA-O 3.25Å; N187-Y210 WeakPolarHBondContact CA-O 3.42Å; N187-Y210 HydrophobicContact CB-CD1 3.81Å; N187-Y210 HydrophobicContact CB-CD2 3.3Å; N187-Y210 HydrophobicContact CB-CE1 3.66Å; N187-Y210 HydrophobicContact CB-CE2 3.15Å; N187-Y210 HydrophobicContact CB-CG 3.63Å; N187-Y210 WeakPolarHBondContact CB-O 3.23Å; N187-Y210 WeakPolarHBondContact ND2-CE2 3.01Å |
| 188 | C | 96.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.054 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 49.2 | 34.3 | 176.9 | -98.9 | 0 | 0 | 0 | 0 | 114.2 | Y92 T128 Y210 N212 C245 | Y92-C188 HydrophobicContact CE1-CB 4.46Å; T128-C188 HydrophobicContact CG2-CB 4.1Å; C188-Y210 PolarHBondContact N-O 2.75Å; C188-N212 VanDerWaalsContact C-ND2 3.33Å; C188-N212 VanDerWaalsContact CA-OD1 3.3Å; C188-N212 WeakPolarHBondContact CA-OD1 3.25Å; C188-N212 PolarHBondContact O-ND2 3.24Å; C188-N212 VanDerWaalsContact O-ND2 3.16Å; C188-N212 PolarHBondContact SG-OD1 3.3Å; C188-N212 VanDerWaalsContact SG-OD1 3.4Å; C188-C245 HydrophobicContact CB-CB 4.03Å; C188-C245 WeakPolarHBondContact CB-SG 3.48Å; C188-C245 WeakPolarHBondContact SG-CB 3.2Å; C188-C245 CovalentContact SG-SG 2.06Å; C188-C245 PolarHBondContact SG-SG 3.04Å |
| 189 | T | 95.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -115.1 | 156.2 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | C156 I186 N187 E193 I194 L197 P211 N212 | C156-T189 HydrophobicContact CB-CG2 4.04Å; C156-T189 PolarHBondContact N-OG1 3.06Å; C156-T189 WeakPolarHBondContact O-CG2 3.49Å; I186-T189 HydrophobicContact CG2-CG2 4.14Å; I186-T189 VanDerWaalsContact CG2-OG1 3.25Å; I186-T189 WeakPolarHBondContact CG2-OG1 3.32Å; N187-T189 PolarHBondContact O-N 3.17Å; N187-T189 PolarHBondContact O-OG1 3.46Å; T189-E193 HydrophobicContact CG2-CB 4.21Å; T189-I194 HydrophobicContact CG2-CD1 4.11Å; T189-L197 HydrophobicContact CG2-CD1 4Å; T189-P211 WeakPolarHBondContact O-CA 3.27Å; T189-P211 WeakPolarHBondContact O-CB 3.48Å; T189-N212 PolarHBondContact O-N 3.44Å |
| 190 | D | 93.5 | Very high | 96.8 | Very high | 36 Ų | 36 | 25 Ų | 25 | 19% | 0.193 | 14% | 0.144 | C | C | . | . | trans | -59.2 | 126.7 | 173.8 | -174.4 | -33.2 | 0 | 0 | 0 | 109.8 | K192 E193 | D190-K192 PolarHBondContact O-N 3.01Å; D190-K192 WeakPolarHBondContact OD1-CD 3.44Å; D190-K192 VanDerWaalsContact OD1-CG 3.25Å; D190-K192 WeakPolarHBondContact OD1-CG 3.17Å; D190-K192 PolarHBondContact OD1-N 2.93Å; D190-K192 WeakPolarHBondContact OD2-CD 3.38Å; D190-K192 VanDerWaalsContact OD2-CE 3.22Å; D190-K192 WeakPolarHBondContact OD2-CE 3.24Å; D190-K192 IonicContact OD2-NZ 2.75Å; D190-K192 PolarHBondContact OD2-NZ 3.35Å; D190-E193 HydrophobicContact CB-CG 4.4Å; D190-E193 PolarHBondContact O-N 3.39Å | ||
| 191 | P | 94.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -27.6 | -176.3 | 21.5 | -33.3 | 0 | 0 | 0 | 113.4 | E193 I194 P211 N212 Y230 W234 | P191-E193 VanDerWaalsContact C-N 3.25Å; P191-E193 PolarHBondContact O-N 3.22Å; P191-I194 PolarHBondContact O-N 2.96Å; P191-P211 HydrophobicContact CB-CB 4.13Å; P191-P211 HydrophobicContact CB-CG 3.98Å; P191-N212 WeakPolarHBondContact CD-O 3.27Å; P191-Y230 HydrophobicContact CB-CD1 4.37Å; P191-Y230 HydrophobicContact CB-CD2 3.9Å; P191-Y230 HydrophobicContact CB-CE1 4.28Å; P191-Y230 HydrophobicContact CB-CE2 3.8Å; P191-Y230 HydrophobicContact CB-CG 4.2Å; P191-Y230 HydrophobicContact CG-CD2 4.44Å; P191-Y230 HydrophobicContact CG-CE2 3.92Å; P191-W234 HydrophobicContact CB-CH2 4.49Å; P191-W234 HydrophobicContact CB-CZ2 3.9Å |
| 192 | K | 93.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 29.6 Ų | 29.6 | 44% | 0.439 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.2 | -19.5 | 178.7 | 85.3 | -164.1 | -178.4 | -143.5 | 0 | 114 | D190 | D190-K192 PolarHBondContact O-N 3.01Å; D190-K192 WeakPolarHBondContact OD1-CD 3.44Å; D190-K192 VanDerWaalsContact OD1-CG 3.25Å; D190-K192 WeakPolarHBondContact OD1-CG 3.17Å; D190-K192 PolarHBondContact OD1-N 2.93Å; D190-K192 WeakPolarHBondContact OD2-CD 3.38Å; D190-K192 VanDerWaalsContact OD2-CE 3.22Å; D190-K192 WeakPolarHBondContact OD2-CE 3.24Å; D190-K192 IonicContact OD2-NZ 2.75Å; D190-K192 PolarHBondContact OD2-NZ 3.35Å |
| 193 | E | 95.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -91 | -17.3 | -179.7 | -61.8 | -53.1 | 137.9 | 0 | 0 | 112.4 | T189 D190 P191 A195 K196 L197 | T189-E193 HydrophobicContact CG2-CB 4.21Å; D190-E193 HydrophobicContact CB-CG 4.4Å; D190-E193 PolarHBondContact O-N 3.39Å; P191-E193 VanDerWaalsContact C-N 3.25Å; P191-E193 PolarHBondContact O-N 3.22Å; E193-A195 PolarHBondContact O-N 2.97Å; E193-K196 PolarHBondContact O-N 3.4Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 PolarHBondContact OE1-NZ 2.99Å; E193-K196 VanDerWaalsContact OE1-NZ 3.14Å; E193-K196 IonicContact OE2-NZ 2.96Å; E193-K196 PolarHBondContact OE2-NZ 2.89Å; E193-L197 HydrophobicContact CB-CD1 4.26Å; E193-L197 WeakPolarHBondContact O-CG 3.29Å; E193-L197 PolarHBondContact O-N 2.89Å |
| 194 | I | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | -173.4 | -59.1 | -61.4 | 0 | 0 | 0 | 112 | I186 T189 P191 K196 L197 L198 V209 P211 W234 | I186-I194 HydrophobicContact CB-CD1 3.95Å; I186-I194 HydrophobicContact CG2-CD1 3.52Å; T189-I194 HydrophobicContact CG2-CD1 4.11Å; P191-I194 PolarHBondContact O-N 2.96Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.15Å; I194-L197 PolarHBondContact O-N 3.36Å; I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.13Å; I194-L198 WeakPolarHBondContact O-CG 3.36Å; I194-L198 PolarHBondContact O-N 3.24Å; I194-V209 HydrophobicContact CG2-CB 4.17Å; I194-V209 HydrophobicContact CG2-CG1 3.88Å; I194-P211 HydrophobicContact CD1-CB 4.04Å; I194-P211 HydrophobicContact CG1-CB 3.91Å; I194-P211 HydrophobicContact CG1-CG 4.16Å; I194-W234 HydrophobicContact CB-CZ2 4.49Å; I194-W234 HydrophobicContact CG1-CZ2 4.3Å; I194-W234 VanDerWaalsContact CG2-CD1 3.42Å; I194-W234 HydrophobicContact CG2-CD2 4.16Å; I194-W234 HydrophobicContact CG2-CG 3.88Å |
| 195 | A | 96.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E193 L198 S199 E233 | E193-A195 PolarHBondContact O-N 2.97Å; A195-L198 PolarHBondContact O-N 2.75Å; A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.21Å; A195-S199 PolarHBondContact O-N 3.32Å; A195-E233 VanDerWaalsContact CB-CD 3.41Å; A195-E233 HydrophobicContact CB-CG 3.8Å; A195-E233 WeakPolarHBondContact CB-OE1 3.45Å |
| 196 | K | 97.2 | Very high | 96.2 | Very high | 112 Ų | 112 | 43 Ų | 43 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.8 | -42 | 175.5 | -59.1 | 179.9 | -157.4 | 151.6 | 0 | 111.7 | E193 I194 S199 C200 | E193-K196 PolarHBondContact O-N 3.4Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 PolarHBondContact OE1-NZ 2.99Å; E193-K196 VanDerWaalsContact OE1-NZ 3.14Å; E193-K196 IonicContact OE2-NZ 2.96Å; E193-K196 PolarHBondContact OE2-NZ 2.89Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.15Å; K196-S199 PolarHBondContact O-N 2.83Å; K196-C200 WeakPolarHBondContact O-CB 3.3Å; K196-C200 PolarHBondContact O-N 3.16Å |
| 197 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.9 | -74.2 | 161.5 | 0 | 0 | 0 | 112 | C156 C160 F168 I186 T189 E193 I194 S199 C200 A201 | C156-L197 HydrophobicContact CB-CD1 3.63Å; C156-L197 HydrophobicContact CB-CD2 4.05Å; C160-L197 HydrophobicContact CB-CD2 4.22Å; F168-L197 HydrophobicContact CB-CD2 3.8Å; F168-L197 HydrophobicContact CD1-CB 4.1Å; F168-L197 HydrophobicContact CD1-CD2 3.6Å; F168-L197 HydrophobicContact CD1-CG 4.48Å; F168-L197 HydrophobicContact CD2-CD2 4.5Å; F168-L197 HydrophobicContact CE1-CB 4.16Å; F168-L197 HydrophobicContact CE1-CD2 4.32Å; F168-L197 HydrophobicContact CG-CD2 3.71Å; I186-L197 HydrophobicContact CD1-CB 3.99Å; I186-L197 HydrophobicContact CG1-CB 4.35Å; I186-L197 HydrophobicContact CG1-CD1 4.28Å; I186-L197 HydrophobicContact CG2-CD1 4.04Å; T189-L197 HydrophobicContact CG2-CD1 4Å; E193-L197 HydrophobicContact CB-CD1 4.26Å; E193-L197 WeakPolarHBondContact O-CG 3.29Å; E193-L197 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 3.36Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-C200 PolarHBondContact O-SG 3.04Å; L197-A201 WeakPolarHBondContact O-CB 3.08Å; L197-A201 PolarHBondContact O-N 2.96Å |
| 198 | L | 97.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | 175.6 | -66.8 | 179 | 0 | 0 | 0 | 112.3 | I186 I194 A195 V207 V209 W234 H237 A239 | I186-L198 HydrophobicContact CD1-CD2 3.87Å; I186-L198 HydrophobicContact CD1-CG 4.43Å; I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.13Å; I194-L198 WeakPolarHBondContact O-CG 3.36Å; I194-L198 PolarHBondContact O-N 3.24Å; A195-L198 PolarHBondContact O-N 2.75Å; L198-V207 HydrophobicContact CD2-CG1 3.46Å; L198-V207 VanDerWaalsContact CD2-CG1 3.46Å; L198-V209 HydrophobicContact CD1-CG1 4.19Å; L198-V209 HydrophobicContact CD2-CG1 3.96Å; L198-V209 HydrophobicContact CG-CG1 4.4Å; L198-W234 HydrophobicContact CD1-CB 4.16Å; L198-H237 HydrophobicContact CB-CB 3.78Å; L198-H237 HydrophobicContact CD1-CB 3.72Å; L198-H237 HydrophobicContact CG-CB 4.42Å; L198-A239 HydrophobicContact CD1-CB 4.38Å |
| 199 | S | 97 | Very high | 96.4 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 46% | 0.462 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.5 | -38.3 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | A195 K196 L197 | A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.21Å; A195-S199 PolarHBondContact O-N 3.32Å; K196-S199 PolarHBondContact O-N 2.83Å; L197-S199 VanDerWaalsContact C-N 3.33Å |
| 200 | C | 96.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 44 Ų | 44 | 31% | 0.311 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -80.1 | -18 | -177.3 | 78.8 | 0 | 0 | 0 | 0 | 114 | C160 C169 K196 L197 | C160-C200 HydrophobicContact CB-CB 4.43Å; C169-C200 VanDerWaalsContact CB-O 3.27Å; C169-C200 WeakPolarHBondContact CB-O 3.3Å; K196-C200 WeakPolarHBondContact O-CB 3.3Å; K196-C200 PolarHBondContact O-N 3.16Å; L197-C200 PolarHBondContact O-SG 3.04Å |
| 201 | A | 94.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | trans | -129.8 | 106.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F168 C169 I172 L197 S203 | F168-A201 HydrophobicContact CD1-CB 3.59Å; F168-A201 HydrophobicContact CE1-CB 3.72Å; C169-A201 HydrophobicContact CB-CB 4.46Å; I172-A201 HydrophobicContact CB-CB 3.9Å; I172-A201 HydrophobicContact CG1-CB 3.66Å; I172-A201 HydrophobicContact CG2-CB 4.28Å; L197-A201 WeakPolarHBondContact O-CB 3.08Å; L197-A201 PolarHBondContact O-N 2.96Å; A201-S203 PolarHBondContact O-N 3.31Å | ||
| 202 | H | 93.7 | Very high | 96.6 | Very high | 149 Ų | 149 | 43.8 Ų | 43.8 | 69% | 0.69 | 22% | 0.224 | S | C | * | . | trans | -86.5 | 99.8 | -179.2 | -58.4 | -55.6 | 0 | 0 | 0 | 111.5 | N176 | N176-H202 PolarHBondContact ND2-O 3.06Š| ||
| 203 | S | 96.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 22% | 0.217 | 21% | 0.205 | C | C | . | . | trans | -74.1 | 132.4 | 172.1 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | A201 K205 | A201-S203 PolarHBondContact O-N 3.31Å; S203-K205 WeakPolarHBondContact OG-CA 3.29Å; S203-K205 PolarHBondContact OG-N 3.05Å; S203-K205 PolarHBondContact OG-O 3.5Å | ||
| 204 | Q | 96.7 | Very high | 95.8 | Very high | 165 Ų | 165 | 39 Ų | 39 | 77% | 0.771 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -86.4 | 0.3 | 167.7 | -64.2 | 178.9 | -17 | 0 | 0 | 112 | N176 | N176-Q204 PolarHBondContact OD1-N 3.2Š|
| 205 | K | 97.7 | Very high | 94.6 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -112.4 | 169.6 | -178.2 | -60.8 | 174.9 | -177.7 | -64.6 | 0 | 109.8 | L175 C178 V181 L184 S203 V207 | L175-K205 WeakPolarHBondContact O-CE 3.37Å; C178-K205 WeakPolarHBondContact O-CE 3.29Å; C178-K205 PolarHBondContact O-NZ 3.44Å; V181-K205 HydrophobicContact CB-CD 4.23Å; V181-K205 HydrophobicContact CG1-CD 4.07Å; V181-K205 WeakPolarHBondContact O-CD 3.46Å; V181-K205 WeakPolarHBondContact O-CE 3.27Å; V181-K205 PolarHBondContact O-NZ 3.42Å; L184-K205 HydrophobicContact CD1-CD 3.83Å; L184-K205 HydrophobicContact CG-CB 4.5Å; L184-K205 HydrophobicContact CG-CD 3.87Å; S203-K205 WeakPolarHBondContact OG-CA 3.29Å; S203-K205 PolarHBondContact OG-N 3.05Å; S203-K205 PolarHBondContact OG-O 3.5Å; K205-V207 PolarHBondContact O-N 3.24Å |
| 206 | L | 97.7 | Very high | 93.4 | Very high | 95 Ų | 95 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 140 | 171.6 | -73.9 | 171.8 | 0 | 0 | 0 | 110.2 | A182 A183 L184 K240 | A182-L206 PolarHBondContact O-N 3.3Å; A183-L206 CarbonylContact C-O 3.54Å; A183-L206 WeakPolarHBondContact CA-O 3.25Å; A183-L206 HydrophobicContact CB-CB 3.67Å; A183-L206 WeakPolarHBondContact CB-O 3.42Å; L184-L206 PolarHBondContact N-O 3.1Å; L206-K240 HydrophobicContact CD2-CB 4.21Å; L206-K240 HydrophobicContact CD2-CG 4.19Å |
| 207 | V | 98.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | L184 L198 K205 V209 A239 K240 L241 | L184-V207 WeakPolarHBondContact O-CA 3.19Å; L198-V207 HydrophobicContact CD2-CG1 3.46Å; L198-V207 VanDerWaalsContact CD2-CG1 3.46Å; K205-V207 PolarHBondContact O-N 3.24Å; V207-V209 HydrophobicContact CG1-CG1 4.26Å; V207-A239 HydrophobicContact CG1-CB 4.09Å; V207-K240 PolarHBondContact O-N 2.93Å; V207-L241 PolarHBondContact O-N 2.99Å; V207-L241 VanDerWaalsContact O-N 3.12Å |
| 208 | V | 98.5 | Very high | 90 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.6 | 176.5 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | W151 L184 G185 I186 Y210 L241 | W151-V208 HydrophobicContact CB-CG1 4.26Å; W151-V208 HydrophobicContact CG-CG1 4.11Å; L184-V208 PolarHBondContact O-N 3.47Å; G185-V208 CarbonylContact C-O 3.56Å; G185-V208 WeakPolarHBondContact CA-O 3.33Å; I186-V208 PolarHBondContact N-O 3.26Å; I186-V208 VanDerWaalsContact N-O 3.09Å; V208-Y210 HydrophobicContact CG1-CE1 4.36Å; V208-Y210 HydrophobicContact CG2-CD1 3.69Å; V208-Y210 HydrophobicContact CG2-CE1 3.64Å; V208-L241 CarbonylContact C-O 3.58Å; V208-L241 WeakPolarHBondContact CA-O 3.45Å; V208-L241 HydrophobicContact CB-CB 3.8Å; V208-L241 HydrophobicContact CB-CD1 4.16Å; V208-L241 HydrophobicContact CG2-CB 3.56Å; V208-L241 HydrophobicContact CG2-CD1 4.24Å |
| 209 | V | 98.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.3 | 177.9 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | I186 I194 L198 V207 W234 A239 L241 I242 G243 | I186-V209 HydrophobicContact CD1-CG1 4.3Å; I186-V209 VanDerWaalsContact O-CA 3.32Å; I186-V209 WeakPolarHBondContact O-CA 3.34Å; I194-V209 HydrophobicContact CG2-CB 4.17Å; I194-V209 HydrophobicContact CG2-CG1 3.88Å; L198-V209 HydrophobicContact CD1-CG1 4.19Å; L198-V209 HydrophobicContact CD2-CG1 3.96Å; L198-V209 HydrophobicContact CG-CG1 4.4Å; V207-V209 HydrophobicContact CG1-CG1 4.26Å; V209-W234 HydrophobicContact CG2-CB 4.02Å; V209-W234 HydrophobicContact CG2-CD2 4.05Å; V209-W234 HydrophobicContact CG2-CE3 3.82Å; V209-W234 HydrophobicContact CG2-CG 4.17Å; V209-A239 HydrophobicContact CG1-CB 4.43Å; V209-A239 HydrophobicContact CG2-CB 3.74Å; V209-L241 PolarHBondContact N-O 2.9Å; V209-I242 HydrophobicContact CG2-CB 4.44Å; V209-I242 HydrophobicContact CG2-CG1 3.87Å; V209-I242 HydrophobicContact CG2-CG2 4.35Å; V209-I242 CarbonylContact O-C 3.57Å; V209-I242 VanDerWaalsContact O-CA 3.26Å; V209-I242 WeakPolarHBondContact O-CA 3.49Å; V209-G243 PolarHBondContact O-N 3.24Å |
| 210 | Y | 98.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 80 | 178.5 | 48.5 | -73.1 | 0 | 0 | 0 | 109.1 | E22 E127 W151 I186 N187 C188 V208 G243 C245 | E22-Y210 WeakPolarHBondContact OE1-CE2 3.33Å; E127-Y210 WeakPolarHBondContact CB-OH 3.12Å; E127-Y210 VanDerWaalsContact OE2-CE2 3.22Å; E127-Y210 WeakPolarHBondContact OE2-CE2 3.4Å; E127-Y210 PolarHBondContact OE2-OH 3.04Å; W151-Y210 AromaticContact NE1-CZ 3.95Å; W151-Y210 PolarHBondContact NE1-OH 3.17Å; W151-Y210 VanDerWaalsContact NE1-OH 3.09Å; I186-Y210 PolarHBondContact O-N 3.2Å; N187-Y210 VanDerWaalsContact CA-O 3.25Å; N187-Y210 WeakPolarHBondContact CA-O 3.42Å; N187-Y210 HydrophobicContact CB-CD1 3.81Å; N187-Y210 HydrophobicContact CB-CD2 3.3Å; N187-Y210 HydrophobicContact CB-CE1 3.66Å; N187-Y210 HydrophobicContact CB-CE2 3.15Å; N187-Y210 HydrophobicContact CB-CG 3.63Å; N187-Y210 WeakPolarHBondContact CB-O 3.23Å; N187-Y210 WeakPolarHBondContact ND2-CE2 3.01Å; C188-Y210 PolarHBondContact N-O 2.75Å; V208-Y210 HydrophobicContact CG1-CE1 4.36Å; V208-Y210 HydrophobicContact CG2-CD1 3.69Å; V208-Y210 HydrophobicContact CG2-CE1 3.64Å; Y210-G243 WeakPolarHBondContact CA-O 3.32Å; Y210-G243 VanDerWaalsContact CB-C 3.45Å; Y210-C245 VanDerWaalsContact O-CB 3.29Å; Y210-C245 WeakPolarHBondContact O-CB 3.12Å |
| 211 | P | 97 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -77.9 | 175.9 | -174.5 | 30.9 | -33.1 | 0 | 0 | 0 | 112.9 | T189 P191 I194 F227 W234 C245 | T189-P211 WeakPolarHBondContact O-CA 3.27Å; T189-P211 WeakPolarHBondContact O-CB 3.48Å; P191-P211 HydrophobicContact CB-CB 4.13Å; P191-P211 HydrophobicContact CB-CG 3.98Å; I194-P211 HydrophobicContact CD1-CB 4.04Å; I194-P211 HydrophobicContact CG1-CB 3.91Å; I194-P211 HydrophobicContact CG1-CG 4.16Å; P211-F227 HydrophobicContact CG-CE1 4.4Å; P211-W234 HydrophobicContact CG-CH2 3.15Å; P211-W234 HydrophobicContact CG-CZ2 3.38Å; P211-W234 HydrophobicContact CG-CZ3 4.01Å; P211-C245 PolarHBondContact O-N 2.78Å | ||
| 212 | N | 94.4 | Very high | 84.7 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | trans | -65.8 | 165.9 | 167 | -63.1 | -31.1 | 0 | 0 | 0 | 110.9 | C188 T189 P191 G214 F227 C246 | C188-N212 VanDerWaalsContact C-ND2 3.33Å; C188-N212 VanDerWaalsContact CA-OD1 3.3Å; C188-N212 WeakPolarHBondContact CA-OD1 3.25Å; C188-N212 PolarHBondContact O-ND2 3.24Å; C188-N212 VanDerWaalsContact O-ND2 3.16Å; C188-N212 PolarHBondContact SG-OD1 3.3Å; C188-N212 VanDerWaalsContact SG-OD1 3.4Å; T189-N212 PolarHBondContact O-N 3.44Å; P191-N212 WeakPolarHBondContact CD-O 3.27Å; N212-G214 PolarHBondContact O-N 2.06Å; N212-F227 WeakPolarHBondContact O-CZ 3.22Å; N212-C246 CarbonylContact C-O 3.47Å; N212-C246 WeakPolarHBondContact CA-O 3.46Å; N212-C246 VanDerWaalsContact OD1-CB 3.3Å; N212-C246 WeakPolarHBondContact OD1-CB 3.45Å; N212-C246 PolarHBondContact OD1-N 3.4Å | ||
| 213 | A | 88.5 | Confident | 83.4 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | trans | -63.8 | -22.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V222 F227 C246 F247 T248 | A213-V222 HydrophobicContact CB-CB 4.37Å; A213-V222 HydrophobicContact CB-CG1 3.62Å; A213-V222 HydrophobicContact CB-CG2 3.84Å; A213-V222 WeakPolarHBondContact O-CG1 3.37Å; A213-F227 HydrophobicContact CB-CE2 4.26Å; A213-F227 WeakPolarHBondContact O-CE2 3.44Å; A213-C246 PolarHBondContact N-O 3.2Å; A213-F247 HydrophobicContact CB-CB 3.73Å; A213-F247 VanDerWaalsContact CB-O 3.32Å; A213-F247 WeakPolarHBondContact CB-O 3.42Å; A213-T248 HydrophobicContact CB-CG2 4.01Å | ||
| 214 | G | 83 | Confident | 82.3 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 134.8 | -164.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N212 V216 | N212-G214 PolarHBondContact O-N 2.06Å; G214-V216 PolarHBondContact O-N 3.28Å |
| 215 | L | 72.1 | Confident | 81.4 | Confident | 110 Ų | 110 | 52 Ų | 52 | 58% | 0.576 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.7 | 173.8 | -70.6 | 173.2 | 0 | 0 | 0 | 109.2 | V222 F223 | L215-V222 CarbonylContact O-C 3.58Å; L215-V222 WeakPolarHBondContact O-CA 3.24Å; L215-F223 PolarHBondContact N-O 3.4Å; L215-F223 PolarHBondContact O-N 2.95Å |
| 216 | V | 69.1 | Low | 81 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.5 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | G214 Q221 V222 F247 | G214-V216 PolarHBondContact O-N 3.28Å; V216-Q221 CarbonylContact C-O 3.43Å; V216-Q221 WeakPolarHBondContact CA-O 3.15Å; V216-V222 HydrophobicContact CG2-CG2 4.09Å; V216-F247 HydrophobicContact CB-CD2 4.48Å; V216-F247 HydrophobicContact CB-CE2 4.48Å; V216-F247 HydrophobicContact CG2-CB 3.98Å; V216-F247 HydrophobicContact CG2-CD1 4.11Å; V216-F247 HydrophobicContact CG2-CD2 3.44Å; V216-F247 VanDerWaalsContact CG2-CD2 3.44Å; V216-F247 HydrophobicContact CG2-CE1 4.47Å; V216-F247 HydrophobicContact CG2-CE2 3.86Å; V216-F247 HydrophobicContact CG2-CG 3.58Å; V216-F247 HydrophobicContact CG2-CZ 4.35Å |
| 217 | N | 65.8 | Low | 80.6 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 174 | 173.6 | 73.7 | 1.7 | 0 | 0 | 0 | 111.5 | D219 G220 Q221 F223 | N217-D219 PolarHBondContact O-N 2.73Å; N217-D219 VanDerWaalsContact O-N 3.1Å; N217-D219 WeakPolarHBondContact OD1-CA 3.29Å; N217-D219 PolarHBondContact OD1-N 3.1Å; N217-G220 PolarHBondContact O-N 3.47Å; N217-G220 PolarHBondContact OD1-N 2.92Å; N217-G220 VanDerWaalsContact OD1-N 3.13Å; N217-Q221 PolarHBondContact N-O 2.95Å; N217-Q221 WeakPolarHBondContact OD1-CB 3.38Å; N217-Q221 PolarHBondContact OD1-N 3.04Å; N217-Q221 PolarHBondContact OD1-O 3.16Å; N217-F223 HydrophobicContact CB-CD2 4.32Å; N217-F223 HydrophobicContact CB-CE2 3.64Å; N217-F223 WeakPolarHBondContact ND2-CE2 3.48Å |
| 218 | G | 58.5 | Low | 80.3 | Confident | 88 Ų | 88 | 48.6 Ų | 48.6 | 91% | 0.907 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G220 | G218-G220 VanDerWaalsContact C-N 3.34Š|
| 219 | D | 70.4 | Confident | 80.1 | Confident | 140 Ų | 140 | 52.1 Ų | 52.1 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.3 | 177.4 | -57.3 | -43.9 | 0 | 0 | 0 | 112.9 | N217 Q221 | N217-D219 PolarHBondContact O-N 2.73Å; N217-D219 VanDerWaalsContact O-N 3.1Å; N217-D219 WeakPolarHBondContact OD1-CA 3.29Å; N217-D219 PolarHBondContact OD1-N 3.1Å; D219-Q221 VanDerWaalsContact C-N 3.35Å |
| 220 | G | 65.3 | Low | 79.9 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 82.9 | 5.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N217 G218 | N217-G220 PolarHBondContact O-N 3.47Å; N217-G220 PolarHBondContact OD1-N 2.92Å; N217-G220 VanDerWaalsContact OD1-N 3.13Å; G218-G220 VanDerWaalsContact C-N 3.34Å |
| 221 | Q | 65.4 | Low | 79.7 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | trans | -77.3 | 130.9 | 175.7 | -61.7 | -177.6 | -8.4 | 0 | 0 | 110.7 | V216 N217 D219 F223 | V216-Q221 CarbonylContact C-O 3.43Å; V216-Q221 WeakPolarHBondContact CA-O 3.15Å; N217-Q221 PolarHBondContact N-O 2.95Å; N217-Q221 WeakPolarHBondContact OD1-CB 3.38Å; N217-Q221 PolarHBondContact OD1-N 3.04Å; N217-Q221 PolarHBondContact OD1-O 3.16Å; D219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-F223 HydrophobicContact CB-CE2 4.06Å; Q221-F223 WeakPolarHBondContact O-CD2 3.34Å | ||
| 222 | V | 73.1 | Confident | 79.6 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.3 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | A213 L215 V216 | A213-V222 HydrophobicContact CB-CB 4.37Å; A213-V222 HydrophobicContact CB-CG1 3.62Å; A213-V222 HydrophobicContact CB-CG2 3.84Å; A213-V222 WeakPolarHBondContact O-CG1 3.37Å; L215-V222 CarbonylContact O-C 3.58Å; L215-V222 WeakPolarHBondContact O-CA 3.24Å; V216-V222 HydrophobicContact CG2-CG2 4.09Å |
| 223 | F | 66.3 | Low | 79.6 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.5 | 172.7 | -66.6 | -95.8 | 0 | 0 | 0 | 109.8 | L215 N217 Q221 | L215-F223 PolarHBondContact N-O 3.4Å; L215-F223 PolarHBondContact O-N 2.95Å; N217-F223 HydrophobicContact CB-CD2 4.32Å; N217-F223 HydrophobicContact CB-CE2 3.64Å; N217-F223 WeakPolarHBondContact ND2-CE2 3.48Å; Q221-F223 HydrophobicContact CB-CE2 4.06Å; Q221-F223 WeakPolarHBondContact O-CD2 3.34Å |
| 224 | G | 73.9 | Confident | 80 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 161.1 | 178.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 225 | A | 78.7 | Confident | 80.6 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -69.7 | 163.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T229 Y230 | A225-T229 HydrophobicContact CB-CG2 4.19Å; A225-Y230 HydrophobicContact CB-CD2 4.2Å; A225-Y230 HydrophobicContact CB-CE1 4.39Å; A225-Y230 HydrophobicContact CB-CE2 3.72Å; A225-Y230 WeakPolarHBondContact O-CE2 3.37Å |
| 226 | S | 87.5 | Confident | 81.7 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | trans | -59.9 | 152.6 | 172.7 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | A228 T229 Y230 | S226-A228 PolarHBondContact O-N 3.48Å; S226-T229 WeakPolarHBondContact O-CB 3.45Å; S226-T229 PolarHBondContact O-N 3.44Å; S226-T229 VanDerWaalsContact O-N 3.07Å; S226-T229 PolarHBondContact OG-N 3Å; S226-T229 VanDerWaalsContact OG-N 3.13Å; S226-T229 PolarHBondContact OG-OG1 3.19Å; S226-Y230 WeakPolarHBondContact O-CD2 3.29Å; S226-Y230 PolarHBondContact O-N 2.99Å | ||
| 227 | F | 90.6 | Very high | 82.9 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.022 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.9 | -27.4 | 174.9 | -98.3 | -109 | 0 | 0 | 0 | 111.7 | P211 N212 A213 Y230 A231 W234 T248 E252 E255 I256 | P211-F227 HydrophobicContact CG-CE1 4.4Å; N212-F227 WeakPolarHBondContact O-CZ 3.22Å; A213-F227 HydrophobicContact CB-CE2 4.26Å; A213-F227 WeakPolarHBondContact O-CE2 3.44Å; F227-Y230 PolarHBondContact O-N 2.96Å; F227-A231 WeakPolarHBondContact O-CB 3.48Å; F227-A231 PolarHBondContact O-N 3.1Å; F227-W234 HydrophobicContact CD1-CH2 4.24Å; F227-W234 HydrophobicContact CD1-CZ3 4.48Å; F227-W234 HydrophobicContact CE1-CH2 4.09Å; F227-T248 HydrophobicContact CE1-CG2 4.01Å; F227-T248 HydrophobicContact CE2-CG2 4.37Å; F227-T248 HydrophobicContact CZ-CG2 3.61Å; F227-E252 HydrophobicContact CB-CB 4.23Å; F227-E252 HydrophobicContact CB-CG 4.49Å; F227-E252 HydrophobicContact CD1-CB 4.06Å; F227-E252 HydrophobicContact CD2-CB 4.11Å; F227-E252 HydrophobicContact CD2-CG 3.69Å; F227-E252 HydrophobicContact CE1-CB 4.48Å; F227-E252 HydrophobicContact CE2-CG 4.02Å; F227-E252 HydrophobicContact CG-CB 3.84Å; F227-E252 HydrophobicContact CG-CG 3.96Å; F227-E255 HydrophobicContact CB-CB 4.17Å; F227-E255 PolarHBondContact N-OE2 3.26Å; F227-I256 HydrophobicContact CB-CG1 4.31Å; F227-I256 HydrophobicContact CD1-CD1 3.63Å; F227-I256 HydrophobicContact CD1-CG1 3.99Å; F227-I256 HydrophobicContact CE1-CD1 4.27Å |
| 228 | A | 92.3 | Very high | 84.3 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S226 N232 E255 V259 | S226-A228 PolarHBondContact O-N 3.48Å; A228-N232 PolarHBondContact O-N 2.95Å; A228-N232 PolarHBondContact O-ND2 3.3Å; A228-E255 HydrophobicContact CB-CB 4.22Å; A228-E255 PolarHBondContact N-OE2 3.19Å; A228-V259 HydrophobicContact CB-CG2 3.73Å |
| 229 | T | 93 | Very high | 86.1 | Confident | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -51 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | A225 S226 A231 N232 E233 | A225-T229 HydrophobicContact CB-CG2 4.19Å; S226-T229 WeakPolarHBondContact O-CB 3.45Å; S226-T229 PolarHBondContact O-N 3.44Å; S226-T229 VanDerWaalsContact O-N 3.07Å; S226-T229 PolarHBondContact OG-N 3Å; S226-T229 VanDerWaalsContact OG-N 3.13Å; S226-T229 PolarHBondContact OG-OG1 3.19Å; T229-A231 PolarHBondContact O-N 2.97Å; T229-N232 PolarHBondContact O-N 2.95Å; T229-E233 PolarHBondContact O-N 3Å |
| 230 | Y | 94.5 | Very high | 87.4 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.7 | -73.4 | -57.4 | 0 | 0 | 0 | 112.9 | P191 A225 S226 F227 N232 E233 W234 | P191-Y230 HydrophobicContact CB-CD1 4.37Å; P191-Y230 HydrophobicContact CB-CD2 3.9Å; P191-Y230 HydrophobicContact CB-CE1 4.28Å; P191-Y230 HydrophobicContact CB-CE2 3.8Å; P191-Y230 HydrophobicContact CB-CG 4.2Å; P191-Y230 HydrophobicContact CG-CD2 4.44Å; P191-Y230 HydrophobicContact CG-CE2 3.92Å; A225-Y230 HydrophobicContact CB-CD2 4.2Å; A225-Y230 HydrophobicContact CB-CE1 4.39Å; A225-Y230 HydrophobicContact CB-CE2 3.72Å; A225-Y230 WeakPolarHBondContact O-CE2 3.37Å; S226-Y230 WeakPolarHBondContact O-CD2 3.29Å; S226-Y230 PolarHBondContact O-N 2.99Å; F227-Y230 PolarHBondContact O-N 2.96Å; Y230-N232 VanDerWaalsContact C-N 3.31Å; Y230-N232 PolarHBondContact O-N 2.8Å; Y230-E233 WeakPolarHBondContact O-CB 3.49Å; Y230-E233 PolarHBondContact O-N 3.07Å; Y230-E233 VanDerWaalsContact O-N 3.09Å; Y230-W234 HydrophobicContact CD1-CZ2 4.38Å; Y230-W234 HydrophobicContact CG-CH2 4.48Å; Y230-W234 AromaticContact CG-CZ2 3.92Å; Y230-W234 HydrophobicContact CG-CZ2 3.92Å; Y230-W234 VanDerWaalsContact O-CD2 3.27Å; Y230-W234 PolarHBondContact O-N 3.22Å |
| 231 | A | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F227 T229 E233 W234 L235 I242 I256 V259 | F227-A231 WeakPolarHBondContact O-CB 3.48Å; F227-A231 PolarHBondContact O-N 3.1Å; T229-A231 PolarHBondContact O-N 2.97Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.03Å; A231-W234 PolarHBondContact O-N 2.88Å; A231-L235 WeakPolarHBondContact O-CB 3.3Å; A231-L235 VanDerWaalsContact O-CG 3.23Å; A231-L235 WeakPolarHBondContact O-CG 3.45Å; A231-L235 PolarHBondContact O-N 2.89Å; A231-I242 HydrophobicContact CB-CG2 4.48Å; A231-I256 HydrophobicContact CB-CG1 4.31Å; A231-V259 HydrophobicContact CB-CB 4.29Å; A231-V259 HydrophobicContact CB-CG1 4.13Å |
| 232 | N | 94.4 | Very high | 90.4 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.353 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.3 | -83.6 | -63.7 | 0 | 0 | 0 | 112.1 | A228 T229 Y230 S236 V259 | A228-N232 PolarHBondContact O-N 2.95Å; A228-N232 PolarHBondContact O-ND2 3.3Å; T229-N232 PolarHBondContact O-N 2.95Å; Y230-N232 VanDerWaalsContact C-N 3.31Å; Y230-N232 PolarHBondContact O-N 2.8Å; N232-S236 PolarHBondContact O-N 2.92Å; N232-S236 VanDerWaalsContact O-N 3.1Å; N232-V259 HydrophobicContact CB-CG1 4.37Å; N232-V259 VanDerWaalsContact CG-CG1 3.46Å; N232-V259 VanDerWaalsContact OD1-CG1 3.28Å; N232-V259 WeakPolarHBondContact OD1-CG1 3.33Å |
| 233 | E | 95.1 | Very high | 91.6 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 176.7 | -173.5 | 177.4 | -149.4 | 0 | 0 | 111.2 | A195 T229 Y230 A231 L235 S236 H237 | A195-E233 VanDerWaalsContact CB-CD 3.41Å; A195-E233 HydrophobicContact CB-CG 3.8Å; A195-E233 WeakPolarHBondContact CB-OE1 3.45Å; T229-E233 PolarHBondContact O-N 3Å; Y230-E233 WeakPolarHBondContact O-CB 3.49Å; Y230-E233 PolarHBondContact O-N 3.07Å; Y230-E233 VanDerWaalsContact O-N 3.09Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.03Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.14Å; E233-S236 PolarHBondContact O-N 3.39Å; E233-S236 VanDerWaalsContact O-N 3.16Å; E233-S236 PolarHBondContact O-OG 3.47Å; E233-H237 PolarHBondContact O-CD2 2.87Å; E233-H237 VanDerWaalsContact O-CD2 3.27Å; E233-H237 PolarHBondContact O-N 3.16Å; E233-H237 VanDerWaalsContact O-N 3.08Å |
| 234 | W | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 179.3 | -51.9 | -25.3 | 0 | 0 | 0 | 112.5 | P191 I194 L198 V209 P211 F227 Y230 A231 S236 H237 G238 A239 I242 | P191-W234 HydrophobicContact CB-CH2 4.49Å; P191-W234 HydrophobicContact CB-CZ2 3.9Å; I194-W234 HydrophobicContact CB-CZ2 4.49Å; I194-W234 HydrophobicContact CG1-CZ2 4.3Å; I194-W234 VanDerWaalsContact CG2-CD1 3.42Å; I194-W234 HydrophobicContact CG2-CD2 4.16Å; I194-W234 HydrophobicContact CG2-CG 3.88Å; L198-W234 HydrophobicContact CD1-CB 4.16Å; V209-W234 HydrophobicContact CG2-CB 4.02Å; V209-W234 HydrophobicContact CG2-CD2 4.05Å; V209-W234 HydrophobicContact CG2-CE3 3.82Å; V209-W234 HydrophobicContact CG2-CG 4.17Å; P211-W234 HydrophobicContact CG-CH2 3.15Å; P211-W234 HydrophobicContact CG-CZ2 3.38Å; P211-W234 HydrophobicContact CG-CZ3 4.01Å; F227-W234 HydrophobicContact CD1-CH2 4.24Å; F227-W234 HydrophobicContact CD1-CZ3 4.48Å; F227-W234 HydrophobicContact CE1-CH2 4.09Å; Y230-W234 HydrophobicContact CD1-CZ2 4.38Å; Y230-W234 HydrophobicContact CG-CH2 4.48Å; Y230-W234 AromaticContact CG-CZ2 3.92Å; Y230-W234 HydrophobicContact CG-CZ2 3.92Å; Y230-W234 VanDerWaalsContact O-CD2 3.27Å; Y230-W234 PolarHBondContact O-N 3.22Å; A231-W234 PolarHBondContact O-N 2.88Å; W234-S236 VanDerWaalsContact C-N 3.35Å; W234-H237 CarbonylContact O-C 3.54Å; W234-H237 PolarHBondContact O-N 2.89Å; W234-G238 PolarHBondContact O-N 3.45Å; W234-A239 HydrophobicContact CB-CB 3.97Å; W234-A239 VanDerWaalsContact O-CB 3.22Å; W234-A239 WeakPolarHBondContact O-CB 3.1Å; W234-A239 PolarHBondContact O-N 2.83Å; W234-I242 HydrophobicContact CB-CD1 4.29Å; W234-I242 HydrophobicContact CE3-CG2 3.54Å; W234-I242 HydrophobicContact CZ3-CG2 3.69Å |
| 235 | L | 95.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 172.9 | -76.4 | 172.2 | 0 | 0 | 0 | 111.9 | A231 E233 H237 G238 I242 V259 V260 L265 | A231-L235 WeakPolarHBondContact O-CB 3.3Å; A231-L235 VanDerWaalsContact O-CG 3.23Å; A231-L235 WeakPolarHBondContact O-CG 3.45Å; A231-L235 PolarHBondContact O-N 2.89Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.14Å; L235-H237 PolarHBondContact O-N 2.97Å; L235-G238 PolarHBondContact O-N 3.48Å; L235-I242 HydrophobicContact CD2-CD1 3.66Å; L235-I242 HydrophobicContact CG-CD1 3.62Å; L235-V259 HydrophobicContact CD1-CG1 3.74Å; L235-V260 HydrophobicContact CD1-CG2 4.21Å; L235-V260 HydrophobicContact CD2-CG2 4.44Å; L235-L265 HydrophobicContact CD1-CD1 4.42Å |
| 236 | S | 94.5 | Very high | 94.8 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -27.8 | 178 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | N232 E233 W234 G238 | N232-S236 PolarHBondContact O-N 2.92Å; N232-S236 VanDerWaalsContact O-N 3.1Å; E233-S236 PolarHBondContact O-N 3.39Å; E233-S236 VanDerWaalsContact O-N 3.16Å; E233-S236 PolarHBondContact O-OG 3.47Å; W234-S236 VanDerWaalsContact C-N 3.35Å; S236-G238 VanDerWaalsContact C-N 3.28Å; S236-G238 PolarHBondContact O-N 3.45Å |
| 237 | H | 95.2 | Very high | 94.9 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 8.3 | 170.3 | -77.3 | -78.5 | 0 | 0 | 0 | 114.5 | L198 E233 W234 L235 | L198-H237 HydrophobicContact CB-CB 3.78Å; L198-H237 HydrophobicContact CD1-CB 3.72Å; L198-H237 HydrophobicContact CG-CB 4.42Å; E233-H237 PolarHBondContact O-CD2 2.87Å; E233-H237 VanDerWaalsContact O-CD2 3.27Å; E233-H237 PolarHBondContact O-N 3.16Å; E233-H237 VanDerWaalsContact O-N 3.08Å; W234-H237 CarbonylContact O-C 3.54Å; W234-H237 PolarHBondContact O-N 2.89Å; L235-H237 PolarHBondContact O-N 2.97Å |
| 238 | G | 95.4 | Very high | 95 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 3.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116 | W234 L235 S236 | W234-G238 PolarHBondContact O-N 3.45Å; L235-G238 PolarHBondContact O-N 3.48Å; S236-G238 VanDerWaalsContact C-N 3.28Å; S236-G238 PolarHBondContact O-N 3.45Å |
| 239 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -56.7 | 140.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L198 V207 V209 W234 I242 | L198-A239 HydrophobicContact CD1-CB 4.38Å; V207-A239 HydrophobicContact CG1-CB 4.09Å; V209-A239 HydrophobicContact CG1-CB 4.43Å; V209-A239 HydrophobicContact CG2-CB 3.74Å; W234-A239 HydrophobicContact CB-CB 3.97Å; W234-A239 VanDerWaalsContact O-CB 3.22Å; W234-A239 WeakPolarHBondContact O-CB 3.1Å; W234-A239 PolarHBondContact O-N 2.83Å; A239-I242 HydrophobicContact CB-CD1 4.13Å; A239-I242 HydrophobicContact CB-CG1 4.06Å | ||
| 240 | K | 95.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 42.7 Ų | 42.7 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | trans | -123.8 | -26.3 | -179 | -61 | -59 | 176.4 | -166.1 | 0 | 113.5 | L206 V207 | L206-K240 HydrophobicContact CD2-CB 4.21Å; L206-K240 HydrophobicContact CD2-CG 4.19Å; V207-K240 PolarHBondContact O-N 2.93Å | ||
| 241 | L | 97.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 29% | 0.293 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.1 | 172 | -63.8 | 172.8 | 0 | 0 | 0 | 107.2 | V207 V208 V209 | V207-L241 PolarHBondContact O-N 2.99Å; V207-L241 VanDerWaalsContact O-N 3.12Å; V208-L241 CarbonylContact C-O 3.58Å; V208-L241 WeakPolarHBondContact CA-O 3.45Å; V208-L241 HydrophobicContact CB-CB 3.8Å; V208-L241 HydrophobicContact CB-CD1 4.16Å; V208-L241 HydrophobicContact CG2-CB 3.56Å; V208-L241 HydrophobicContact CG2-CD1 4.24Å; V209-L241 PolarHBondContact N-O 2.9Å |
| 242 | I | 97.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.1 | -175.5 | -57.4 | 178 | 0 | 0 | 0 | 109.1 | V209 A231 W234 L235 A239 I256 V260 | V209-I242 HydrophobicContact CG2-CB 4.44Å; V209-I242 HydrophobicContact CG2-CG1 3.87Å; V209-I242 HydrophobicContact CG2-CG2 4.35Å; V209-I242 CarbonylContact O-C 3.57Å; V209-I242 VanDerWaalsContact O-CA 3.26Å; V209-I242 WeakPolarHBondContact O-CA 3.49Å; A231-I242 HydrophobicContact CB-CG2 4.48Å; W234-I242 HydrophobicContact CB-CD1 4.29Å; W234-I242 HydrophobicContact CE3-CG2 3.54Å; W234-I242 HydrophobicContact CZ3-CG2 3.69Å; L235-I242 HydrophobicContact CD2-CD1 3.66Å; L235-I242 HydrophobicContact CG-CD1 3.62Å; A239-I242 HydrophobicContact CB-CD1 4.13Å; A239-I242 HydrophobicContact CB-CG1 4.06Å; I242-I256 HydrophobicContact CB-CG2 3.97Å; I242-I256 HydrophobicContact CG2-CD1 4.15Å; I242-I256 HydrophobicContact CG2-CG1 4.13Å; I242-I256 HydrophobicContact CG2-CG2 3.66Å; I242-V260 HydrophobicContact CB-CG2 4.36Å; I242-V260 HydrophobicContact CD1-CG2 4.07Å |
| 243 | G | 97.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | trans | -149.9 | -152.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V209 Y210 I256 | V209-G243 PolarHBondContact O-N 3.24Å; Y210-G243 WeakPolarHBondContact CA-O 3.32Å; Y210-G243 VanDerWaalsContact CB-C 3.45Å; G243-I256 WeakPolarHBondContact O-CD1 3.43Å | ||
| 244 | G | 96.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | trans | -143.2 | 153.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T248 | G244-T248 VanDerWaalsContact C-OG1 3.22Å; G244-T248 WeakPolarHBondContact CA-OG1 3.18Å | ||
| 245 | C | 96.3 | Very high | 95.3 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | -111.1 | -130.7 | 177.1 | -151 | 0 | 0 | 0 | 0 | 109.7 | C188 Y210 P211 T248 | C188-C245 HydrophobicContact CB-CB 4.03Å; C188-C245 WeakPolarHBondContact CB-SG 3.48Å; C188-C245 WeakPolarHBondContact SG-CB 3.2Å; C188-C245 CovalentContact SG-SG 2.06Å; C188-C245 PolarHBondContact SG-SG 3.04Å; Y210-C245 VanDerWaalsContact O-CB 3.29Å; Y210-C245 WeakPolarHBondContact O-CB 3.12Å; P211-C245 PolarHBondContact O-N 2.78Å; C245-T248 PolarHBondContact N-OG1 2.8Å; C245-T248 PolarHBondContact O-N 3.38Å; C245-T248 PolarHBondContact O-OG1 3.2Å | ||
| 246 | C | 92.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 46 Ų | 46 | 32% | 0.324 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 141.4 | -177.6 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | N212 A213 T248 | N212-C246 CarbonylContact C-O 3.47Å; N212-C246 WeakPolarHBondContact CA-O 3.46Å; N212-C246 VanDerWaalsContact OD1-CB 3.3Å; N212-C246 WeakPolarHBondContact OD1-CB 3.45Å; N212-C246 PolarHBondContact OD1-N 3.4Å; A213-C246 PolarHBondContact N-O 3.2Å; C246-T248 PolarHBondContact O-N 2.94Å; C246-T248 VanDerWaalsContact O-N 3.16Å |
| 247 | F | 90.3 | Very high | 95.3 | Very high | 141 Ų | 141 | 42.8 Ų | 42.8 | 62% | 0.618 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 7.7 | 179.5 | -49.6 | -70.8 | 0 | 0 | 0 | 115.7 | A213 V216 | A213-F247 HydrophobicContact CB-CB 3.73Å; A213-F247 VanDerWaalsContact CB-O 3.32Å; A213-F247 WeakPolarHBondContact CB-O 3.42Å; V216-F247 HydrophobicContact CB-CD2 4.48Å; V216-F247 HydrophobicContact CB-CE2 4.48Å; V216-F247 HydrophobicContact CG2-CB 3.98Å; V216-F247 HydrophobicContact CG2-CD1 4.11Å; V216-F247 HydrophobicContact CG2-CD2 3.44Å; V216-F247 VanDerWaalsContact CG2-CD2 3.44Å; V216-F247 HydrophobicContact CG2-CE1 4.47Å; V216-F247 HydrophobicContact CG2-CE2 3.86Å; V216-F247 HydrophobicContact CG2-CG 3.58Å; V216-F247 HydrophobicContact CG2-CZ 4.35Å |
| 248 | T | 92.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -89.3 | 156.3 | 169.9 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | Y13 A213 F227 G244 C245 C246 | Y13-T248 PolarHBondContact OH-O 2.83Å; A213-T248 HydrophobicContact CB-CG2 4.01Å; F227-T248 HydrophobicContact CE1-CG2 4.01Å; F227-T248 HydrophobicContact CE2-CG2 4.37Å; F227-T248 HydrophobicContact CZ-CG2 3.61Å; G244-T248 VanDerWaalsContact C-OG1 3.22Å; G244-T248 WeakPolarHBondContact CA-OG1 3.18Å; C245-T248 PolarHBondContact N-OG1 2.8Å; C245-T248 PolarHBondContact O-N 3.38Å; C245-T248 PolarHBondContact O-OG1 3.2Å; C246-T248 PolarHBondContact O-N 2.94Å; C246-T248 VanDerWaalsContact O-N 3.16Å | ||
| 249 | G | 93.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | -145.2 | -169.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q251 E252 I253 | G249-Q251 PolarHBondContact O-N 3.08Å; G249-Q251 VanDerWaalsContact O-N 3.13Å; G249-E252 WeakPolarHBondContact CA-OE2 3.48Å; G249-E252 PolarHBondContact N-OE2 2.9Å; G249-E252 PolarHBondContact O-N 3Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.91Å | ||
| 250 | P | 95.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -24.6 | 177.7 | -27.7 | 36.1 | 0 | 0 | 0 | 114.3 | R12 Y13 A16 A254 | R12-P250 HydrophobicContact CB-CB 4.37Å; R12-P250 HydrophobicContact CB-CG 3.72Å; Y13-P250 HydrophobicContact CD1-CG 4.44Å; Y13-P250 HydrophobicContact CE1-CG 4.42Å; A16-P250 HydrophobicContact CB-CB 4.01Å; A16-P250 WeakPolarHBondContact CB-O 3.24Å; P250-A254 WeakPolarHBondContact O-CB 3.45Å; P250-A254 PolarHBondContact O-N 3.2Å |
| 251 | Q | 94.7 | Very high | 94.8 | Very high | 134 Ų | 134 | 46 Ų | 46 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69.1 | -50.9 | 177.6 | 179.8 | 174.5 | -17.2 | 0 | 0 | 111.3 | G249 I253 A254 E255 | G249-Q251 PolarHBondContact O-N 3.08Å; G249-Q251 VanDerWaalsContact O-N 3.13Å; Q251-I253 VanDerWaalsContact C-N 3.26Å; Q251-I253 PolarHBondContact O-N 3.29Å; Q251-A254 WeakPolarHBondContact O-CB 3.22Å; Q251-A254 PolarHBondContact O-N 3.44Å; Q251-E255 PolarHBondContact O-N 3.04Å |
| 252 | E | 95.2 | Very high | 94.2 | Very high | 39 Ų | 39 | 47 Ų | 47 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 178.2 | -67.4 | 65.9 | -138 | 0 | 0 | 110.8 | F227 G249 A254 E255 I256 | F227-E252 HydrophobicContact CB-CB 4.23Å; F227-E252 HydrophobicContact CB-CG 4.49Å; F227-E252 HydrophobicContact CD1-CB 4.06Å; F227-E252 HydrophobicContact CD2-CB 4.11Å; F227-E252 HydrophobicContact CD2-CG 3.69Å; F227-E252 HydrophobicContact CE1-CB 4.48Å; F227-E252 HydrophobicContact CE2-CG 4.02Å; F227-E252 HydrophobicContact CG-CB 3.84Å; F227-E252 HydrophobicContact CG-CG 3.96Å; G249-E252 WeakPolarHBondContact CA-OE2 3.48Å; G249-E252 PolarHBondContact N-OE2 2.9Å; G249-E252 PolarHBondContact O-N 3Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.98Å; E252-E255 WeakPolarHBondContact O-CB 3.24Å; E252-E255 PolarHBondContact O-N 3.11Å; E252-I256 WeakPolarHBondContact O-CG1 3.43Å; E252-I256 PolarHBondContact O-N 3.46Å |
| 253 | I | 96.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 175.2 | -64.6 | -57.9 | 0 | 0 | 0 | 112.1 | Y13 A16 A18 G249 Q251 I256 A257 | Y13-I253 HydrophobicContact CD1-CB 4.24Å; Y13-I253 HydrophobicContact CD1-CG1 3.67Å; Y13-I253 HydrophobicContact CD1-CG2 4.48Å; Y13-I253 HydrophobicContact CE1-CG1 3.69Å; A16-I253 HydrophobicContact CB-CB 4.17Å; A16-I253 HydrophobicContact CB-CG2 3.92Å; A18-I253 HydrophobicContact CB-CG2 4.04Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.91Å; Q251-I253 VanDerWaalsContact C-N 3.26Å; Q251-I253 PolarHBondContact O-N 3.29Å; I253-I256 HydrophobicContact CD1-CD1 3.98Å; I253-I256 PolarHBondContact O-N 3.1Å; I253-A257 VanDerWaalsContact O-CB 3.24Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 2.97Å |
| 254 | A | 95.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A16 P250 Q251 E252 A257 N258 | A16-A254 HydrophobicContact CB-CB 4.19Å; A16-A254 VanDerWaalsContact O-CA 3.32Å; A16-A254 WeakPolarHBondContact O-CA 3.49Å; P250-A254 WeakPolarHBondContact O-CB 3.45Å; P250-A254 PolarHBondContact O-N 3.2Å; Q251-A254 WeakPolarHBondContact O-CB 3.22Å; Q251-A254 PolarHBondContact O-N 3.44Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.98Å; A254-A257 PolarHBondContact O-N 2.78Å; A254-N258 WeakPolarHBondContact O-CB 3.06Å; A254-N258 PolarHBondContact O-N 2.9Å; A254-N258 PolarHBondContact O-ND2 2.79Å |
| 255 | E | 95.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 172.6 | -70.7 | -177.9 | -162.7 | 0 | 0 | 111.6 | F227 A228 Q251 E252 N258 V259 | F227-E255 HydrophobicContact CB-CB 4.17Å; F227-E255 PolarHBondContact N-OE2 3.26Å; A228-E255 HydrophobicContact CB-CB 4.22Å; A228-E255 PolarHBondContact N-OE2 3.19Å; Q251-E255 PolarHBondContact O-N 3.04Å; E252-E255 WeakPolarHBondContact O-CB 3.24Å; E252-E255 PolarHBondContact O-N 3.11Å; E255-N258 PolarHBondContact O-N 2.93Å; E255-V259 PolarHBondContact O-N 3.38Å |
| 256 | I | 95.7 | Very high | 86.3 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174.6 | -69.5 | 160.2 | 0 | 0 | 0 | 110.6 | F227 A231 I242 G243 E252 I253 N258 V259 V260 | F227-I256 HydrophobicContact CB-CG1 4.31Å; F227-I256 HydrophobicContact CD1-CD1 3.63Å; F227-I256 HydrophobicContact CD1-CG1 3.99Å; F227-I256 HydrophobicContact CE1-CD1 4.27Å; A231-I256 HydrophobicContact CB-CG1 4.31Å; I242-I256 HydrophobicContact CB-CG2 3.97Å; I242-I256 HydrophobicContact CG2-CD1 4.15Å; I242-I256 HydrophobicContact CG2-CG1 4.13Å; I242-I256 HydrophobicContact CG2-CG2 3.66Å; G243-I256 WeakPolarHBondContact O-CD1 3.43Å; E252-I256 WeakPolarHBondContact O-CG1 3.43Å; E252-I256 PolarHBondContact O-N 3.46Å; I253-I256 HydrophobicContact CD1-CD1 3.98Å; I253-I256 PolarHBondContact O-N 3.1Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.41Å; I256-V259 PolarHBondContact O-N 2.78Å; I256-V259 VanDerWaalsContact O-N 3.11Å; I256-V260 HydrophobicContact CG2-CG2 3.74Å; I256-V260 WeakPolarHBondContact O-CB 3.38Å; I256-V260 WeakPolarHBondContact O-CG2 3.47Å; I256-V260 PolarHBondContact O-N 3.27Å |
| 257 | A | 94.7 | Very high | 84.2 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A16 I253 A254 V259 Y261 | A16-A257 WeakPolarHBondContact O-CB 3.12Å; I253-A257 VanDerWaalsContact O-CB 3.24Å; I253-A257 WeakPolarHBondContact O-CB 3.32Å; I253-A257 PolarHBondContact O-N 2.97Å; A254-A257 PolarHBondContact O-N 2.78Å; A257-V259 VanDerWaalsContact C-N 3.3Å; A257-V259 PolarHBondContact O-N 2.69Å; A257-Y261 HydrophobicContact CB-CD2 3.85Å; A257-Y261 HydrophobicContact CB-CE2 3.73Å; A257-Y261 VanDerWaalsContact O-CB 3.3Å; A257-Y261 WeakPolarHBondContact O-CB 3.42Å; A257-Y261 WeakPolarHBondContact O-CD2 3.41Å; A257-Y261 PolarHBondContact O-N 3.26Å |
| 258 | N | 94.6 | Very high | 82.3 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 64% | 0.642 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 176.2 | -73.9 | -24.5 | 0 | 0 | 0 | 111.7 | A254 E255 I256 D262 | A254-N258 WeakPolarHBondContact O-CB 3.06Å; A254-N258 PolarHBondContact O-N 2.9Å; A254-N258 PolarHBondContact O-ND2 2.79Å; E255-N258 PolarHBondContact O-N 2.93Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.41Å; N258-D262 WeakPolarHBondContact O-CB 3.29Å; N258-D262 PolarHBondContact O-N 3.3Å |
| 259 | V | 94.4 | Very high | 79.7 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 9% | 0.085 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73.9 | -52.8 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A228 A231 N232 L235 E255 I256 A257 Y261 D262 L265 | A228-V259 HydrophobicContact CB-CG2 3.73Å; A231-V259 HydrophobicContact CB-CB 4.29Å; A231-V259 HydrophobicContact CB-CG1 4.13Å; N232-V259 HydrophobicContact CB-CG1 4.37Å; N232-V259 VanDerWaalsContact CG-CG1 3.46Å; N232-V259 VanDerWaalsContact OD1-CG1 3.28Å; N232-V259 WeakPolarHBondContact OD1-CG1 3.33Å; L235-V259 HydrophobicContact CD1-CG1 3.74Å; E255-V259 PolarHBondContact O-N 3.38Å; I256-V259 PolarHBondContact O-N 2.78Å; I256-V259 VanDerWaalsContact O-N 3.11Å; A257-V259 VanDerWaalsContact C-N 3.3Å; A257-V259 PolarHBondContact O-N 2.69Å; V259-Y261 VanDerWaalsContact C-N 3.32Å; V259-Y261 PolarHBondContact O-N 2.88Å; V259-D262 PolarHBondContact O-N 3.13Å; V259-L265 HydrophobicContact CG1-CD1 4.04Å; V259-L265 VanDerWaalsContact O-CD1 3.31Å; V259-L265 WeakPolarHBondContact O-CD1 3.42Å |
| 260 | V | 92.8 | Very high | 77 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 30% | 0.303 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | -173.4 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | L235 I242 I256 | L235-V260 HydrophobicContact CD1-CG2 4.21Å; L235-V260 HydrophobicContact CD2-CG2 4.44Å; I242-V260 HydrophobicContact CB-CG2 4.36Å; I242-V260 HydrophobicContact CD1-CG2 4.07Å; I256-V260 HydrophobicContact CG2-CG2 3.74Å; I256-V260 WeakPolarHBondContact O-CB 3.38Å; I256-V260 WeakPolarHBondContact O-CG2 3.47Å; I256-V260 PolarHBondContact O-N 3.27Å |
| 261 | Y | 90.4 | Very high | 74.1 | Confident | 89 Ų | 89 | 84.1 Ų | 84.1 | 35% | 0.349 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -0.2 | 179.3 | -54.4 | -45.6 | 0 | 0 | 0 | 113.8 | G17 K19 A257 V259 K263 | G17-Y261 VanDerWaalsContact O-CE2 3.31Å; G17-Y261 WeakPolarHBondContact O-CE2 3.3Å; G17-Y261 PolarHBondContact O-OH 3.31Å; G17-Y261 VanDerWaalsContact O-OH 3.05Å; K19-Y261 HydrophobicContact CD-CE1 4.1Å; K19-Y261 VanDerWaalsContact CD-OH 3.26Å; K19-Y261 WeakPolarHBondContact CD-OH 3.25Å; K19-Y261 WeakPolarHBondContact CE-OH 3.5Å; K19-Y261 VanDerWaalsContact CG-OH 3.24Å; K19-Y261 WeakPolarHBondContact CG-OH 3.34Å; A257-Y261 HydrophobicContact CB-CD2 3.85Å; A257-Y261 HydrophobicContact CB-CE2 3.73Å; A257-Y261 VanDerWaalsContact O-CB 3.3Å; A257-Y261 WeakPolarHBondContact O-CB 3.42Å; A257-Y261 WeakPolarHBondContact O-CD2 3.41Å; A257-Y261 PolarHBondContact O-N 3.26Å; V259-Y261 VanDerWaalsContact C-N 3.32Å; V259-Y261 PolarHBondContact O-N 2.88Å; Y261-K263 PolarHBondContact O-N 2.75Å; Y261-K263 VanDerWaalsContact O-N 3.12Å |
| 262 | D | 83.7 | Confident | 71.4 | Confident | 76 Ų | 76 | 86.7 Ų | 86.7 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | trans | -65.7 | 113.8 | 172.2 | -171.2 | -2.3 | 0 | 0 | 0 | 109.8 | N258 V259 S264 L265 | N258-D262 WeakPolarHBondContact O-CB 3.29Å; N258-D262 PolarHBondContact O-N 3.3Å; V259-D262 PolarHBondContact O-N 3.13Å; D262-S264 PolarHBondContact O-N 3.44Å; D262-S264 VanDerWaalsContact OD1-CB 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.42Å; D262-S264 PolarHBondContact OD1-N 3.03Å; D262-S264 PolarHBondContact OD1-OG 2.6Å; D262-S264 VanDerWaalsContact OD1-OG 3.04Å; D262-S264 PolarHBondContact OD2-OG 3.02Å; D262-L265 HydrophobicContact CB-CD1 4.44Å; D262-L265 PolarHBondContact O-N 2.96Å | ||
| 263 | K | 63.4 | Low | 70.2 | Confident | 203 Ų | 203 | 89.1 Ų | 89.1 | 88% | 0.883 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.1 | 179 | -64.8 | -177.5 | 179.8 | 177.5 | 0 | 112.8 | Y261 L265 | Y261-K263 PolarHBondContact O-N 2.75Å; Y261-K263 VanDerWaalsContact O-N 3.12Å; K263-L265 VanDerWaalsContact C-N 3.33Å |
| 264 | S | 60 | Low | 68.8 | Low | 90 Ų | 90 | 92.8 Ų | 92.8 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.1 | 178 | 84.1 | 0 | 0 | 0 | 0 | 112.9 | D262 | D262-S264 PolarHBondContact O-N 3.44Å; D262-S264 VanDerWaalsContact OD1-CB 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.42Å; D262-S264 PolarHBondContact OD1-N 3.03Å; D262-S264 PolarHBondContact OD1-OG 2.6Å; D262-S264 VanDerWaalsContact OD1-OG 3.04Å; D262-S264 PolarHBondContact OD2-OG 3.02Å |
| 265 | L | 52.6 | Low | 67.3 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -73.5 | 132.8 | 179.1 | -69.6 | 172.6 | 0 | 0 | 0 | 110.9 | L235 V259 D262 K263 K267 | L235-L265 HydrophobicContact CD1-CD1 4.42Å; V259-L265 HydrophobicContact CG1-CD1 4.04Å; V259-L265 VanDerWaalsContact O-CD1 3.31Å; V259-L265 WeakPolarHBondContact O-CD1 3.42Å; D262-L265 HydrophobicContact CB-CD1 4.44Å; D262-L265 PolarHBondContact O-N 2.96Å; K263-L265 VanDerWaalsContact C-N 3.33Å; L265-K267 PolarHBondContact O-N 2.81Å |
| 266 | P | 46.4 | Very low | 65.6 | Low | 114 Ų | 114 | 99 Ų | 99 | 74% | 0.74 | 56% | 0.558 | S | S | * | * | trans | -60 | 125.9 | 177.3 | 12 | -14.7 | 0 | 0 | 0 | 109.7 | V268 | P266-V268 PolarHBondContact O-N 3.03Š| ||
| 267 | K | 50 | Low | 63.7 | Low | 204 Ų | 204 | 104.8 Ų | 104.8 | 89% | 0.887 | 59% | 0.591 | S | S | * | * | trans | -60.4 | 108.9 | 169.7 | -69.4 | -176.3 | -179.6 | -179.5 | 0 | 107.4 | L265 S269 | L265-K267 PolarHBondContact O-N 2.81Å; K267-S269 PolarHBondContact O-N 2.89Å | ||
| 268 | V | 50.4 | Low | 61.7 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | trans | -54.7 | 106.2 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | P266 A270 | P266-V268 PolarHBondContact O-N 3.03Å; V268-A270 PolarHBondContact O-N 3.27Å | ||
| 269 | S | 38.3 | Very low | 59.3 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | trans | -66.8 | 120.5 | 171.8 | 50 | 0 | 0 | 0 | 0 | 107.1 | K267 Q271 | K267-S269 PolarHBondContact O-N 2.89Å; S269-Q271 PolarHBondContact O-N 3.07Å | ||
| 270 | A | 36 | Very low | 56.6 | Low | 98 Ų | 98 | 118 Ų | 118 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | trans | -55.8 | 112.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | V268 S272 | V268-A270 PolarHBondContact O-N 3.27Å; A270-S272 PolarHBondContact O-N 3.1Å | ||
| 271 | Q | 34.9 | Very low | 53.6 | Low | 184 Ų | 184 | 123.7 Ų | 123.7 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -67.6 | 127.7 | 163.7 | -72.6 | -176.8 | -15.8 | 0 | 0 | 106.4 | S269 | S269-Q271 PolarHBondContact O-N 3.07Š| ||
| 272 | S | 37.3 | Very low | 50.3 | Low | 188 Ų | 188 | 126.8 Ų | 126.8 | 100% | 1.315 | 73% | 0.728 | S | S | * | * | trans | -47 | 0 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | A270 | A270-S272 PolarHBondContact O-N 3.1Š|
Retrieved 272 of 272 residues in 322.6 ms
(Link to these results)